smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Cc1ccc([C@@H](C2CCCC2)[C@H]2C[C@@H](C[NH2+][C@@H]3CCCC34CCCC4)[C@@]3(O)CN23)cc1	ZINC000085547807	291393634	/nfs/dbraw/zinc/39/36/34/291393634.db2.gz	JXFMFXGKZSQORA-MZHIQHMVSA-N	1	0	436.640	4.868	1	0	biogenic,in-vitro	IJAFRO
CCOc1ccc(-c2cc(C)[n+](CCN3CCOCC3)c(-c3ccc(OCC)cc3)c2)cc1	ZINC000020227756	520807321	/nfs/dbraw/zinc/80/73/21/520807321.db2.gz	XITSNPPPOFRDTN-UHFFFAOYSA-N	1	0	447.599	4.746	3	0		IJAFRO
Cc1ccccc1Nc1cc2[nH]c(=O)n(CC3CCCCC3)c2cc1N1CC[NH+](C)CC1	ZINC000003942725	562939679	/nfs/dbraw/zinc/93/96/79/562939679.db2.gz	QQYBXGCMNFIXND-UHFFFAOYSA-N	1	0	433.600	4.714	1	0		IJAFRO
[NH3+]C1CCC(C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1	ZINC000011524369	562978788	/nfs/dbraw/zinc/97/87/88/562978788.db2.gz	WMMCBVXSSDRLHX-UHFFFAOYSA-N	1	0	435.999	4.775	1	0		IJAFRO
CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)CC2)O1	ZINC000012022519	562980328	/nfs/dbraw/zinc/98/03/28/562980328.db2.gz	SNGXKDJEOBGZJY-SFHVURJKSA-N	1	0	430.976	4.886	1	0		IJAFRO
C[C@@H](CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1ccccc1	ZINC000012317903	562981158	/nfs/dbraw/zinc/98/11/58/562981158.db2.gz	REFULGMCXJDTEN-NRFANRHFSA-N	1	0	429.564	4.659	3	0		IJAFRO
Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(N3CCC[NH2+]CC3)cc2)cc1	ZINC000012353885	562981261	/nfs/dbraw/zinc/98/12/61/562981261.db2.gz	CDOZTSKYNUHWTK-LOSJGSFVSA-N	1	0	434.561	4.865	1	0		IJAFRO
O=C(NCCC[NH+]1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc(-c2ncc[nH]2)c1	ZINC000013443548	562986665	/nfs/dbraw/zinc/98/66/65/562986665.db2.gz	CFTGTDFHYVRNEP-UHFFFAOYSA-N	1	0	435.547	4.682	1	0		IJAFRO
Cc1cc(Br)cc2c1NCC[C@H]2[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1	ZINC000013487805	562989540	/nfs/dbraw/zinc/98/95/40/562989540.db2.gz	JBUPRIGLDREWRQ-GOSISDBHSA-N	1	0	441.373	4.960	1	0		IJAFRO
Nc1c(F)cccc1C(=O)CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3	ZINC000013487997	562989568	/nfs/dbraw/zinc/98/95/68/562989568.db2.gz	AXPPZNGPLKJAFR-ICSRJNTNSA-N	1	0	425.573	4.545	1	0		IJAFRO
CCC[NH2+]C[C@@H](O)COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1	ZINC000013529241	562991954	/nfs/dbraw/zinc/99/19/54/562991954.db2.gz	XTBRTGWDWTYTTK-XMMPIXPASA-N	1	0	447.575	4.820	1	0		IJAFRO
CN(C[C@@H](CC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1	ZINC000013534590	562992321	/nfs/dbraw/zinc/99/23/21/562992321.db2.gz	YJAQMWFTGRCBCP-LJQANCHMSA-N	1	0	435.395	4.696	1	0		IJAFRO
Fc1cccc(CC2(F)CC[NH+](CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1	ZINC000013557023	562993265	/nfs/dbraw/zinc/99/32/65/562993265.db2.gz	LPPYLTGGPIRXQL-UHFFFAOYSA-N	1	0	435.522	4.867	1	0		IJAFRO
CN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O	ZINC000013806853	563008491	/nfs/dbraw/zinc/00/84/91/563008491.db2.gz	KQCKYRUSOWOAAT-GOSISDBHSA-N	1	0	444.406	4.621	1	0		IJAFRO
O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2-c2ccccc21	ZINC000013820505	563009992	/nfs/dbraw/zinc/00/99/92/563009992.db2.gz	NJGCTISKVLLFGL-UHFFFAOYSA-N	1	0	429.539	4.614	1	0		IJAFRO
COc1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc(Br)c2ccccc21	ZINC000013862857	563013197	/nfs/dbraw/zinc/01/31/97/563013197.db2.gz	IBSUSMRNKCYPFQ-UHFFFAOYSA-N	1	0	431.374	4.748	1	0		IJAFRO
COc1ccc2nccc([C@@H]3CN(C4CC[NH+](CCCc5ccccc5)CC4)C(=O)O3)c2c1	ZINC000013976089	563014127	/nfs/dbraw/zinc/01/41/27/563014127.db2.gz	IIODDFVDNAPMCZ-SANMLTNESA-N	1	0	445.563	4.834	1	0		IJAFRO
CCn1c2ccc(-c3c(-c4cccc(C)c4)nc(C4CC[NH2+]CC4)n3C)cc2n(CC)c1=O	ZINC000014958605	563016004	/nfs/dbraw/zinc/01/60/04/563016004.db2.gz	BNTRJMIKPGFIQO-UHFFFAOYSA-N	1	0	443.595	4.686	1	0		IJAFRO
FC(F)(F)c1ccc(COC[C@@H](c2ccccc2)N2CC[NH2+]CC2)c(C(F)(F)F)c1	ZINC000022926795	563026064	/nfs/dbraw/zinc/02/60/64/563026064.db2.gz	IHOJMXXFLZHXRR-IBGZPJMESA-N	1	0	432.408	4.887	1	0		IJAFRO
Oc1cccc(/C=C/CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1	ZINC000022939398	563026717	/nfs/dbraw/zinc/02/67/17/563026717.db2.gz	FTYZLCRFCPEXDW-CSKARUKUSA-N	1	0	428.576	4.829	1	0		IJAFRO
Cc1cc2[nH]c(-c3ccc(OCCCN4CCC[N@@H+](C)CC4)cc3Cl)nc2c(C)c1	ZINC000023361034	563027220	/nfs/dbraw/zinc/02/72/20/563027220.db2.gz	JMQRDCNEFGNPAL-UHFFFAOYSA-N	1	0	426.992	4.907	1	0		IJAFRO
C[C@@H]([C@@H]1CN(c2ccccc2)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)[NH+]1CCCC1	ZINC000026674088	563035469	/nfs/dbraw/zinc/03/54/69/563035469.db2.gz	OYRXYIUNONBFEX-MBSDFSHPSA-N	1	0	446.422	4.738	1	0		IJAFRO
C[C@H]1NC(=O)N(C[C@H](CC[NH+]2CCC(c3ccccc3)CC2)c2cccc(Cl)c2)C1=O	ZINC000026834640	563037387	/nfs/dbraw/zinc/03/73/87/563037387.db2.gz	RYWMKHFUOARCRL-GCJKJVERSA-N	1	0	439.987	4.634	1	0		IJAFRO
CC(C)[C@@H](C(=O)N(C)C1CCCCC1)C1(O)CC[NH+](CCc2ccccc2Cl)CC1	ZINC000027555526	563043720	/nfs/dbraw/zinc/04/37/20/563043720.db2.gz	QGEDVOVHVCTWNM-QHCPKHFHSA-N	1	0	435.052	4.773	1	0		IJAFRO
COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3ccccc3Cl)CC1)OCCC2	ZINC000027741621	563046466	/nfs/dbraw/zinc/04/64/66/563046466.db2.gz	IZNQKYUHCXUXJE-QFIPXVFZSA-N	1	0	430.976	4.573	1	0		IJAFRO
CC(=O)Nc1ccc(OCCC[NH+]2CCC(C(=O)c3nc4ccccc4s3)CC2)cc1	ZINC000027856018	563047399	/nfs/dbraw/zinc/04/73/99/563047399.db2.gz	GXDCFPCXWURGAX-UHFFFAOYSA-N	1	0	437.565	4.619	1	0		IJAFRO
Brc1cc(Br)cc(C[NH2+]CCCNc2nc3ccccc3[nH]2)c1	ZINC000028360266	563053458	/nfs/dbraw/zinc/05/34/58/563053458.db2.gz	ZTVZIIKZPSBWFX-UHFFFAOYSA-N	1	0	438.167	4.680	1	0		IJAFRO
O=C(Nc1ccccc1NC(=O)c1cccc(O)c1)OCC1CCN(c2cc[nH+]cc2)CC1	ZINC000028524023	563056363	/nfs/dbraw/zinc/05/63/63/563056363.db2.gz	MLCCJXDFPJIXLE-UHFFFAOYSA-N	1	0	446.507	4.505	1	0		IJAFRO
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[N@@H+]1CC[C@H](F)C1)c1ccccc1	ZINC000028827238	563066646	/nfs/dbraw/zinc/06/66/46/563066646.db2.gz	PHEQKOZPWQBPMC-RDPSFJRHSA-N	1	0	429.486	4.641	1	0		IJAFRO
C[NH+](C)C12C[C@H](OC(=O)CN3CCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2	ZINC000028863296	563067080	/nfs/dbraw/zinc/06/70/80/563067080.db2.gz	YKKIOWWYLWUABG-DUUZSFGBSA-N	1	0	432.608	4.676	1	0		IJAFRO
O=C(NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccs1	ZINC000028869746	563067382	/nfs/dbraw/zinc/06/73/82/563067382.db2.gz	WQUZZFHQRGWHPE-UHFFFAOYSA-N	1	0	433.621	4.665	1	0		IJAFRO
COc1cc(/C=C/C(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1O	ZINC000029047020	563072752	/nfs/dbraw/zinc/07/27/52/563072752.db2.gz	MBOPPOJUEPKDPT-FYWRMAATSA-N	1	0	445.563	4.850	1	0		IJAFRO
CC(C)([NH3+])CNC(=O)c1ccc2[nH]c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc2c1	ZINC000029327956	563078094	/nfs/dbraw/zinc/07/80/94/563078094.db2.gz	QWTYIKYMJQSIJQ-UHFFFAOYSA-N	1	0	436.600	4.998	1	0		IJAFRO
CCCOC(=O)[C@]1(c2ccccc2)C[C@@H]1C[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C	ZINC000029549185	563081875	/nfs/dbraw/zinc/08/18/75/563081875.db2.gz	QXILIDAPWMAIFL-WGLZNKRWSA-N	1	0	433.592	4.828	1	0		IJAFRO
Oc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c1	ZINC000034753275	563087050	/nfs/dbraw/zinc/08/70/50/563087050.db2.gz	URDPGLQTEQTXTL-UHFFFAOYSA-N	1	0	431.471	4.569	1	0		IJAFRO
O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC[NH+](Cc2cccc(F)c2)CC1	ZINC000034802204	563087628	/nfs/dbraw/zinc/08/76/28/563087628.db2.gz	RVGJKIIDOBCNAB-UHFFFAOYSA-N	1	0	429.539	4.759	1	0		IJAFRO
COc1ccc(C[NH+]2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)cc1	ZINC000034802139	563087635	/nfs/dbraw/zinc/08/76/35/563087635.db2.gz	JHSZRBVWJTVOGE-UHFFFAOYSA-N	1	0	441.575	4.629	1	0		IJAFRO
COc1ccc([C@@H]2CNC(=O)C23CC[NH+]([C@H]2CCCC[C@@H]2c2ccc(F)cc2)CC3)cc1	ZINC000038147545	563096335	/nfs/dbraw/zinc/09/63/35/563096335.db2.gz	YWOLKYQOHPVFSL-DSITVLBTSA-N	1	0	436.571	4.856	1	0		IJAFRO
CC(C)O[C@@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1ccc(Cl)c(Cl)c1	ZINC000040404347	563101134	/nfs/dbraw/zinc/10/11/34/563101134.db2.gz	GMFWGCMNPPVHCL-MRXNPFEDSA-N	1	0	434.367	4.830	1	0		IJAFRO
CCN(CC)CC(=O)O[C@@H]1CC2([NH+](C)C)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2	ZINC000040587835	563105570	/nfs/dbraw/zinc/10/55/70/563105570.db2.gz	UEUBYTWMTBOKMC-UOHAHCRKSA-N	1	0	434.624	4.922	1	0		IJAFRO
COc1ccc(N2CC[C@@H](c3cccc(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1	ZINC000040766698	563106660	/nfs/dbraw/zinc/10/66/60/563106660.db2.gz	LKRQSZRVBOAONH-NRFANRHFSA-N	1	0	428.960	4.734	1	0		IJAFRO
CCCCCCS[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000040863633	563108489	/nfs/dbraw/zinc/10/84/89/563108489.db2.gz	QAJHOJPCQXSPCU-UYWPOZDSSA-N	1	0	443.653	4.638	1	0		IJAFRO
Cc1nnc(C(C)C)n1C1CC[NH+]([C@H](C)C[C@H](NC(=O)C(C)C)c2ccccc2)CC1	ZINC000040898568	563110761	/nfs/dbraw/zinc/11/07/61/563110761.db2.gz	PBDSIYPGNYKTOA-XXBNENTESA-N	1	0	425.621	4.639	1	0		IJAFRO
Cc1ccc2c(cccc2OC[C@@H](C)[NH+]2CCC(Cc3ccc4c(c3)NC(=O)CO4)CC2)n1	ZINC000040937326	563112967	/nfs/dbraw/zinc/11/29/67/563112967.db2.gz	NTBBSTMZDUINTQ-LJQANCHMSA-N	1	0	445.563	4.596	1	0		IJAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)nc(NCC2CCCCC2)[nH+]1	ZINC000045167210	563122387	/nfs/dbraw/zinc/12/23/87/563122387.db2.gz	YISHFQAJSRZJKF-QHCPKHFHSA-N	1	0	435.616	4.859	1	0		IJAFRO
Cc1cc(N[C@@H](CC(C)C)C(=O)NCc2cccs2)nc(NCCc2ccccc2)[nH+]1	ZINC000045168565	563122651	/nfs/dbraw/zinc/12/26/51/563122651.db2.gz	LDUPVYUHXPABGW-NRFANRHFSA-N	1	0	437.613	4.644	1	0		IJAFRO
O=C(Nc1ccc2c(c1)CCN2[C@H]1CCN(Cc2cc(F)cc(F)c2F)C1)c1ccco1	ZINC000045187620	563122881	/nfs/dbraw/zinc/12/28/81/563122881.db2.gz	BXVURZKXWIAPHR-IBGZPJMESA-N	1	0	441.453	4.586	1	0		IJAFRO
O=C(Nc1cccc(F)c1)c1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1	ZINC000045190774	563123553	/nfs/dbraw/zinc/12/35/53/563123553.db2.gz	RXQJRNLKYFPNFB-UHFFFAOYSA-N	1	0	437.559	4.853	1	0		IJAFRO
CCCCCCNC(=O)[C@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](CCC)CC2)N1	ZINC000045191148	563123749	/nfs/dbraw/zinc/12/37/49/563123749.db2.gz	JOQRFVUJBSXCNQ-JOCHJYFZSA-N	1	0	445.051	4.733	1	0		IJAFRO
CCC[C@@H](C)Nc1nc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)cc(C)[nH+]1	ZINC000045195657	563124438	/nfs/dbraw/zinc/12/44/38/563124438.db2.gz	PIZFAOHUKIJASU-JPYJTQIMSA-N	1	0	449.574	4.864	1	0		IJAFRO
O=C(NC1CCC([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1)c1cc2ccccc2[nH]1	ZINC000045201961	563124900	/nfs/dbraw/zinc/12/49/00/563124900.db2.gz	NGXOTMIYTXDTEC-VHYCJAOWSA-N	1	0	431.580	4.890	1	0		IJAFRO
C[NH+](C)C12C[C@@H](c3ccc(Cl)cc3)C([C@H](c3ccc(Cl)cc3)C1)N(CC(N)=O)CC2	ZINC000045484750	563134227	/nfs/dbraw/zinc/13/42/27/563134227.db2.gz	CVIGCSYDCXORNJ-CQNRZJDLSA-N	1	0	446.422	4.515	1	0		IJAFRO
CCC[N@H+](CCCc1ccc(F)cc1)Cc1ccc(N)c(I)c1	ZINC000049582965	563138973	/nfs/dbraw/zinc/13/89/73/563138973.db2.gz	MONIOGAQYVKPEI-UHFFFAOYSA-N	1	0	426.317	4.857	1	0		IJAFRO
CCCCc1cc2c(cc1CCCC)CC([NH2+]C[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2	ZINC000049784698	563139690	/nfs/dbraw/zinc/13/96/90/563139690.db2.gz	UNLNIGPGPUPLDO-SANMLTNESA-N	1	0	448.607	4.709	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3ccccc3C)CC2)o1	ZINC000053294992	563141830	/nfs/dbraw/zinc/14/18/30/563141830.db2.gz	OFYQVEQPVZJTRF-UHFFFAOYSA-N	1	0	432.612	4.904	1	0		IJAFRO
c1cc2c(cn1)cc(-c1ccnc(NC3CCCCC3)c1)nc2N1CC[NH+](CC2CC2)CC1	ZINC000058548465	563144440	/nfs/dbraw/zinc/14/44/40/563144440.db2.gz	IDPLIEOQLDDUNY-UHFFFAOYSA-N	1	0	442.611	4.968	1	0		IJAFRO
CC(C)[NH+]1CCC(Oc2ccc3c(cc4n3CCN(Cc3ccc(F)cc3)C4=O)c2)CC1	ZINC000064540074	563155257	/nfs/dbraw/zinc/15/52/57/563155257.db2.gz	AQACZABFCRPMGE-UHFFFAOYSA-N	1	0	435.543	4.688	1	0		IJAFRO
Cc1c2c(ccc1OCCCC[NH+]1CCN(c3cccc4cccc(F)c43)CC1)CNC2=O	ZINC000064548737	563155517	/nfs/dbraw/zinc/15/55/17/563155517.db2.gz	OPCRANFRFIPFAF-UHFFFAOYSA-N	1	0	447.554	4.512	1	0		IJAFRO
CCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCC[NH+](C)C)OCc1ccccc1	ZINC000064559405	563156000	/nfs/dbraw/zinc/15/60/00/563156000.db2.gz	KSNWNYMPRFXGCG-JOCHJYFZSA-N	1	0	449.636	4.762	1	0		IJAFRO
Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc(NC(=O)NC(C)(C)C)c3)CC2)n1	ZINC000066262492	563160910	/nfs/dbraw/zinc/16/09/10/563160910.db2.gz	LSVBOYKPMJAFOW-UHFFFAOYSA-N	1	0	445.611	4.828	1	0		IJAFRO
O=C(C1CCCCC1)N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072103916	563162859	/nfs/dbraw/zinc/16/28/59/563162859.db2.gz	HUAPLYIQENEPKT-JOCHJYFZSA-N	1	0	446.517	4.746	1	0		IJAFRO
CC(C)(C)NC(=O)N1CCC([NH2+][C@H](c2cncs2)c2ccc(C(F)(F)F)cc2)CC1	ZINC000072103887	563162926	/nfs/dbraw/zinc/16/29/26/563162926.db2.gz	RWLCLXAQTRDYMN-SFHVURJKSA-N	1	0	440.535	4.813	1	0		IJAFRO
C[N@H+](CCNC[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)C1CCCC1	ZINC000072180615	563166936	/nfs/dbraw/zinc/16/69/36/563166936.db2.gz	BEENWVQZLLUHPI-QGZVFWFLSA-N	1	0	449.439	4.770	1	0		IJAFRO
CC(C)Oc1ccc([C@@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c2cccnc2)cc1	ZINC000072185090	563167962	/nfs/dbraw/zinc/16/79/62/563167962.db2.gz	HGDIETCJEPAMKS-HSZRJFAPSA-N	1	0	425.573	4.947	1	0		IJAFRO
CC[C@H](C)[C@H]([NH3+])CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cn1)c1ccc(OCC2CCC2)cc1	ZINC000072316694	563168369	/nfs/dbraw/zinc/16/83/69/563168369.db2.gz	UUTHQGVJQSMJDC-QKBJRNKPSA-N	1	0	439.575	4.910	1	0		IJAFRO
CCN(CCCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)S(=O)(=O)c1cccc2cccnc21	ZINC000073170189	563169850	/nfs/dbraw/zinc/16/98/50/563169850.db2.gz	NFWYKNZYWPLWFU-JTHBVZDNSA-N	1	0	443.657	4.928	1	0		IJAFRO
COc1ccccc1N1CC[NH+](C[C@H]2CCC(c3ccccc3)(c3ccccc3)O2)CC1	ZINC000073279384	563171747	/nfs/dbraw/zinc/17/17/47/563171747.db2.gz	DKZVZJLNJPUMKG-RUZDIDTESA-N	1	0	428.576	4.940	1	0		IJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@H]([NH3+])Cc4cccc(OC(F)(F)F)c4)c3)cc12	ZINC000073296033	563172072	/nfs/dbraw/zinc/17/20/72/563172072.db2.gz	VXYDJXMHISGSDA-GOSISDBHSA-N	1	0	442.441	4.781	1	0		IJAFRO
CCc1ccc(S(=O)(=O)Nc2cc(CN3CC[NH+](CCC(C)C)CC3)ccc2C)cc1	ZINC000084703902	563176589	/nfs/dbraw/zinc/17/65/89/563176589.db2.gz	TWSMUNUFSVRHIB-UHFFFAOYSA-N	1	0	443.657	4.522	1	0		IJAFRO
Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)[N@@H+]3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1	ZINC000095600972	563192707	/nfs/dbraw/zinc/19/27/07/563192707.db2.gz	TVOCGSUEDUOAHV-PFBJBMPXSA-N	1	0	447.623	4.539	1	0		IJAFRO
CC(C)COc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CC[NH2+]CC4)nc12	ZINC000096169797	563195495	/nfs/dbraw/zinc/19/54/95/563195495.db2.gz	SIEYNWSPYHUIFA-UHFFFAOYSA-N	1	0	427.552	4.863	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3CCCC[N@@H+]31)OC(=O)/C=C\c1ccc(O)c-2c1	ZINC000005371559	291391198	/nfs/dbraw/zinc/39/11/98/291391198.db2.gz	WCZWUYYJZVBKDZ-VMSBZHFZSA-N	1	0	435.520	4.704	1	0	biogenic,in-vitro	IJAFRO
COc1cc(-n2cnc3cc(-c4ccccc4)sc3c2=O)ccc1OCC[NH+]1CCCC1	ZINC000003815931	562938611	/nfs/dbraw/zinc/93/86/11/562938611.db2.gz	IVRCHBYBKXRNIC-UHFFFAOYSA-N	1	0	447.560	4.597	1	0		IJAFRO
O=S(=O)(c1ccccc1)N1CCC[C@@]2(CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)C1	ZINC000003955737	562939893	/nfs/dbraw/zinc/93/98/93/562939893.db2.gz	CPSNMFMVXIPDSW-MHZLTWQESA-N	1	0	446.616	4.953	1	0		IJAFRO
CCn1c2ccccc2c2sc(C(=O)NCCC[N@H+](CC)Cc3ccccc3)cc2c1=O	ZINC000008599364	562954712	/nfs/dbraw/zinc/95/47/12/562954712.db2.gz	DKLSAWSOANZBFP-UHFFFAOYSA-N	1	0	447.604	4.878	1	0		IJAFRO
Cc1[nH+]c(N)nc(N)c1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	ZINC000013472736	562988073	/nfs/dbraw/zinc/98/80/73/562988073.db2.gz	GKTPXBIOBMWSEO-UHFFFAOYSA-N	1	0	426.520	4.698	1	0		IJAFRO
Cc1cc(OCC[NH+](C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12	ZINC000013671987	562999997	/nfs/dbraw/zinc/99/99/97/562999997.db2.gz	GKDBTHSYQZTDAJ-UHFFFAOYSA-N	1	0	448.350	4.808	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]CCOc1ccccc1OCc1ccccc1C	ZINC000013676643	563000460	/nfs/dbraw/zinc/00/04/60/563000460.db2.gz	BGFYEOBLDYCILL-UHFFFAOYSA-N	1	0	437.536	4.639	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]CCOc1ccccc1OCc1cccc(C)c1	ZINC000013676645	563000545	/nfs/dbraw/zinc/00/05/45/563000545.db2.gz	OYHGPJOLAUFAHT-UHFFFAOYSA-N	1	0	437.536	4.639	1	0		IJAFRO
CCc1ccc([C@H]2Oc3ccccc3O[C@@H]2C[NH2+]CCOc2c(OC)cccc2OC)cc1	ZINC000013827443	563010696	/nfs/dbraw/zinc/01/06/96/563010696.db2.gz	FVAJBDGWMKQHNT-CLJLJLNGSA-N	1	0	449.547	4.816	1	0		IJAFRO
CCc1ccc([C@@H]2Oc3ccccc3O[C@@H]2C[NH2+]CCOc2c(OC)cccc2OC)cc1	ZINC000013827441	563010716	/nfs/dbraw/zinc/01/07/16/563010716.db2.gz	FVAJBDGWMKQHNT-FTJBHMTQSA-N	1	0	449.547	4.816	1	0		IJAFRO
COc1ccc(SC[C@H](Cc2ccccc2)N2CC[N@H+](CC(C)C)CCC2=O)cc1	ZINC000013829720	563010875	/nfs/dbraw/zinc/01/08/75/563010875.db2.gz	BISQWFWJJYVZPX-QFIPXVFZSA-N	1	0	426.626	4.589	1	0		IJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Br)cc4)c3)cc12	ZINC000016052570	563020887	/nfs/dbraw/zinc/02/08/87/563020887.db2.gz	VLPMRZSKJUTRBQ-IBGZPJMESA-N	1	0	437.341	4.645	1	0	in-vivo	IJAFRO
NC(=O)c1ccc2c(c1)CCO[C@H]2CC[N@H+]1CC=C(c2csc3cc(F)ccc32)CC1	ZINC000026490199	563032444	/nfs/dbraw/zinc/03/24/44/563032444.db2.gz	ADEBGCBREGNKQR-QHCPKHFHSA-N	1	0	436.552	4.933	1	0		IJAFRO
Cc1c(Cl)cccc1N1CC[NH+](CCCCCOc2ccc3c(c2)NC(=O)CC3)CC1	ZINC000027731705	563046235	/nfs/dbraw/zinc/04/62/35/563046235.db2.gz	PWVDKFQTZNOMJZ-UHFFFAOYSA-N	1	0	442.003	4.904	1	0		IJAFRO
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cccc(CO)c2CC[C@@H]1[NH+]1CCCC1	ZINC000027854348	563047393	/nfs/dbraw/zinc/04/73/93/563047393.db2.gz	JFQFWWGJQCCFMW-UPVQGACJSA-N	1	0	447.406	4.639	1	0		IJAFRO
COC(=O)c1ccc(COc2ccc3cc([C@H]([C@@H](C)[NH+](C)C)n4ccnc4)ccc3c2)cc1	ZINC000028130819	563051360	/nfs/dbraw/zinc/05/13/60/563051360.db2.gz	SNSYASMKLBWRLR-BCHFMIIMSA-N	1	0	443.547	4.941	1	0		IJAFRO
CNC(=O)c1cccc(COc2ccc3cc([C@@H]([C@@H](C)[NH+](C)C)n4ccnc4)ccc3c2)c1	ZINC000028344992	563052981	/nfs/dbraw/zinc/05/29/81/563052981.db2.gz	YRZCYALYRQWTET-NIYFSFCBSA-N	1	0	442.563	4.514	1	0		IJAFRO
Cc1ccc(F)c(O[C@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1	ZINC000028355928	563053378	/nfs/dbraw/zinc/05/33/78/563053378.db2.gz	IBLNFIMYVGZAFY-HSZRJFAPSA-N	1	0	425.548	4.908	1	0		IJAFRO
COc1ccc([C@H](C[NH2+]CCc2ccc(C)cc2)N2CCN(c3ccccc3)CC2)cc1	ZINC000028523472	563056261	/nfs/dbraw/zinc/05/62/61/563056261.db2.gz	JAXMSMJZMJEPQW-NDEPHWFRSA-N	1	0	429.608	4.699	1	0		IJAFRO
O=C(Nc1ccccc1NC(=O)[C@H]1C=CCCC1)OCC1CCN(c2cc[nH+]cc2)CC1	ZINC000028525734	563056767	/nfs/dbraw/zinc/05/67/67/563056767.db2.gz	OBOLHOQXDXDZIH-FQEVSTJZSA-N	1	0	434.540	4.842	1	0		IJAFRO
O=C1N(c2ccc(OCC[NH+]3CCCCC3)nc2)CCN1c1ccc(Cl)c(Cl)c1	ZINC000028527792	563057082	/nfs/dbraw/zinc/05/70/82/563057082.db2.gz	KLQQLINXJPIDFI-UHFFFAOYSA-N	1	0	435.355	4.700	1	0		IJAFRO
CC[N@H+](CCCCOCc1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1	ZINC000028767001	563064231	/nfs/dbraw/zinc/06/42/31/563064231.db2.gz	XHUPUUOMSBESNX-QHCPKHFHSA-N	1	0	427.585	4.889	1	0		IJAFRO
COc1ccc2nccc([C@@H]3CN(CCC[N@H+](C)Cc4cc5ccccc5[nH]4)C(=O)O3)c2c1	ZINC000028892363	563068454	/nfs/dbraw/zinc/06/84/54/563068454.db2.gz	AEAOMQAWGDKZCV-VWLOTQADSA-N	1	0	444.535	4.740	1	0		IJAFRO
CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1c[nH]c2cc(O)ccc12	ZINC000029134192	563076052	/nfs/dbraw/zinc/07/60/52/563076052.db2.gz	SSYCPUQQYDBIFF-YJIIWGRFSA-N	1	0	449.595	4.633	1	0		IJAFRO
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@H]2[N@H+](C)C1	ZINC000029488941	563081459	/nfs/dbraw/zinc/08/14/59/563081459.db2.gz	RPRVYTFKQFZVOD-PXNUWXKTSA-N	1	0	438.612	4.809	1	0		IJAFRO
CC(C)Oc1cccc2c1CCC(=O)N2CCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000029557986	563082169	/nfs/dbraw/zinc/08/21/69/563082169.db2.gz	ISMDUVKTUOJXIR-UHFFFAOYSA-N	1	0	442.003	4.619	1	0		IJAFRO
CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O	ZINC000029563809	563082463	/nfs/dbraw/zinc/08/24/63/563082463.db2.gz	AACJRDQBZYMCIZ-OAQYLSRUSA-N	1	0	429.516	4.866	1	0		IJAFRO
COc1ccc(C2([C@H]3c4cc(OC)c(OC)cc4CC[N@H+]3C)SCCCS2)cc1O	ZINC000031871037	563083633	/nfs/dbraw/zinc/08/36/33/563083633.db2.gz	QYICIXLISYZRKO-JOCHJYFZSA-N	1	0	447.622	4.670	1	0		IJAFRO
COc1ccccc1-n1cc2[nH]c(C)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)c-2c1=O	ZINC000034804411	563087889	/nfs/dbraw/zinc/08/78/89/563087889.db2.gz	CKZFVWOHYQPQSY-UHFFFAOYSA-N	1	0	428.319	4.992	1	0		IJAFRO
CNC(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2cccc(C(F)(F)F)c2)n3C)ccn1	ZINC000040395392	563100715	/nfs/dbraw/zinc/10/07/15/563100715.db2.gz	NIYVAWAYJCPRAH-UHFFFAOYSA-N	1	0	441.413	4.883	1	0		IJAFRO
CC[NH+](CC)CCN(C)S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1	ZINC000040412557	563101878	/nfs/dbraw/zinc/10/18/78/563101878.db2.gz	ZNXZAIREDCBQNE-UHFFFAOYSA-N	1	0	445.412	4.535	1	0		IJAFRO
COc1ccc(N2CC=C(c3ccc(Cl)cc3)C2=O)cc1OCC[NH+]1CCC(C)CC1	ZINC000040764246	563106556	/nfs/dbraw/zinc/10/65/56/563106556.db2.gz	XFISOJLRJCTUFE-UHFFFAOYSA-N	1	0	440.971	4.890	1	0		IJAFRO
[NH3+][C@@H](CNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)Cc1ccccc1	ZINC000040845054	563107360	/nfs/dbraw/zinc/10/73/60/563107360.db2.gz	HVFMCOZNQUGGRT-GOSISDBHSA-N	1	0	428.363	4.966	1	0		IJAFRO
CCOC(=O)[C@](CCC[NH+]1CCN(Cc2ccc(F)cc2)CC1)(c1ccccc1)C(C)C	ZINC000040876637	563109500	/nfs/dbraw/zinc/10/95/00/563109500.db2.gz	MUDXHQMNYAEHIV-MHZLTWQESA-N	1	0	440.603	4.881	1	0		IJAFRO
C[NH+](C)CCN1C(=O)c2cccc3c(Sc4nc5ccccc5s4)ccc(c32)C1=O	ZINC000040891510	563109834	/nfs/dbraw/zinc/10/98/34/563109834.db2.gz	YZFPGZBQEJRNOW-UHFFFAOYSA-N	1	0	433.558	4.758	1	0		IJAFRO
C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCc3c4ccccc4[nH]c3C2=O)[C@@]12c1ccccc1NC2=O	ZINC000040900697	563110996	/nfs/dbraw/zinc/11/09/96/563110996.db2.gz	KXESXFJQEFFWFY-GJDOKZOISA-N	1	0	447.538	4.860	1	0		IJAFRO
CC1=C2C[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C	ZINC000040913787	563111081	/nfs/dbraw/zinc/11/10/81/563111081.db2.gz	FJUMPUQWEYXWGC-BHTCUIDRSA-N	1	0	426.645	4.590	1	0		IJAFRO
[NH3+]C[C@H](C(=O)Nc1cc(Br)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1	ZINC000040914349	563111179	/nfs/dbraw/zinc/11/11/79/563111179.db2.gz	FUHANCRIAJEKGA-HNNXBMFYSA-N	1	0	441.354	4.735	1	0		IJAFRO
CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@@H]2CCC[N@@H+]2C)cc1	ZINC000042889154	563115995	/nfs/dbraw/zinc/11/59/95/563115995.db2.gz	WAVFWCJMJRGYQT-QFIPXVFZSA-N	1	0	448.611	4.602	1	0		IJAFRO
COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1CN1CC[NH2+]CC1	ZINC000045167456	563122376	/nfs/dbraw/zinc/12/23/76/563122376.db2.gz	HDKTUCIQKHRMLF-UHFFFAOYSA-N	1	0	435.955	4.673	1	0		IJAFRO
O=C(Nc1ccc(F)cc1)c1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1	ZINC000045188277	563123081	/nfs/dbraw/zinc/12/30/81/563123081.db2.gz	HWBYSJPBZAVUTC-UHFFFAOYSA-N	1	0	437.559	4.853	1	0		IJAFRO
Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCC(C(N)=O)CC5)c4)s3)nc21	ZINC000045191059	563123576	/nfs/dbraw/zinc/12/35/76/563123576.db2.gz	CYWHGGFGINMPKO-UHFFFAOYSA-N	1	0	430.577	4.964	1	0		IJAFRO
O=C(NCC[NH+]1CCCC1)c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1	ZINC000045193257	563124006	/nfs/dbraw/zinc/12/40/06/563124006.db2.gz	PEKKOBRUHCCLPP-UHFFFAOYSA-N	1	0	434.540	4.923	1	0		IJAFRO
c1ccc2[nH]c(-c3cccc(-c4ccc(C[NH2+]CCCN5CCOCC5)cc4)c3)nc2c1	ZINC000045231373	563126287	/nfs/dbraw/zinc/12/62/87/563126287.db2.gz	HYYDIPLIFDGONY-UHFFFAOYSA-N	1	0	426.564	4.709	1	0		IJAFRO
CC[C@H](C)CNC(=O)c1cncc(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)c1	ZINC000045322069	563130268	/nfs/dbraw/zinc/13/02/68/563130268.db2.gz	QXSSQQIJOMKZSJ-NRFANRHFSA-N	1	0	434.628	4.585	1	0		IJAFRO
CC[C@H](C)CNC(=O)c1ccc(-c2cccc(CN3CCC([NH+]4CCCC4)CC3)c2)nc1	ZINC000045323429	563130641	/nfs/dbraw/zinc/13/06/41/563130641.db2.gz	UXMDBKQIDDPOAJ-NRFANRHFSA-N	1	0	434.628	4.585	1	0		IJAFRO
O=C1NCc2ccc3c(c21)C[C@H]([N@H+](CCCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3	ZINC000045335614	563131298	/nfs/dbraw/zinc/13/12/98/563131298.db2.gz	UTCHHJRKMDMXSK-NRFANRHFSA-N	1	0	447.554	4.589	1	0		IJAFRO
CCC[N@@H+]1CCc2cc3oc(=O)n(C)c3cc2[C@@H]1c1cccc(OC(=O)c2ccccc2)c1	ZINC000045350602	563132235	/nfs/dbraw/zinc/13/22/35/563132235.db2.gz	FJOZJJCQRQWGHS-VWLOTQADSA-N	1	0	442.515	4.708	1	0		IJAFRO
COc1cccc(NC(=O)[C@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)c1	ZINC000045386919	563133906	/nfs/dbraw/zinc/13/39/06/563133906.db2.gz	COPFNINVTDIILJ-JOCHJYFZSA-N	1	0	431.517	4.953	1	0		IJAFRO
COc1ccc(CC[N@H+](C)Cc2coc(-c3ccc(Br)cc3)n2)cc1OC	ZINC000064508200	563153931	/nfs/dbraw/zinc/15/39/31/563153931.db2.gz	OZCQDPXDHOZSPO-UHFFFAOYSA-N	1	0	431.330	4.796	1	0		IJAFRO
Cc1cccc(F)c1Oc1c(C(=O)N2CC[NH2+]CC2)c2ccccc2n1-c1ccccc1	ZINC000064527037	563154502	/nfs/dbraw/zinc/15/45/02/563154502.db2.gz	OBVYEGBPRFXGIK-UHFFFAOYSA-N	1	0	429.495	4.916	1	0		IJAFRO
Fc1cccc(F)c1OCc1nc2c(cccc2OCCC[NH2+]Cc2cccnc2)o1	ZINC000064527705	563154583	/nfs/dbraw/zinc/15/45/83/563154583.db2.gz	QTZOOUGLJZHEQA-UHFFFAOYSA-N	1	0	425.435	4.639	1	0		IJAFRO
C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(F)cc6F)nc5c4)nc3c2)CC1	ZINC000066075117	563157386	/nfs/dbraw/zinc/15/73/86/563157386.db2.gz	GOYTTZQBYVHZNE-UHFFFAOYSA-N	1	0	444.489	4.803	1	0		IJAFRO
O=C(C1CCCCC1)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072103914	563162904	/nfs/dbraw/zinc/16/29/04/563162904.db2.gz	HUAPLYIQENEPKT-QFIPXVFZSA-N	1	0	446.517	4.746	1	0		IJAFRO
CCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1N1CC[NH+](C)CC1	ZINC000073273833	563171588	/nfs/dbraw/zinc/17/15/88/563171588.db2.gz	UQOISOLSLNWSAE-UHFFFAOYSA-N	1	0	435.955	4.998	1	0		IJAFRO
COc1ccnc2c(-c3cnc4nc(N5CCC([NH+]6CCCCC6)CC5)oc4c3)cccc12	ZINC000073311259	563172274	/nfs/dbraw/zinc/17/22/74/563172274.db2.gz	CRGIVHAIVXZOCG-UHFFFAOYSA-N	1	0	443.551	4.901	1	0		IJAFRO
CCc1ccc(S(=O)(=O)n2ccc3c2cccc3Cl)cc1NC1CC[NH+](C)CC1	ZINC000095574507	563185320	/nfs/dbraw/zinc/18/53/20/563185320.db2.gz	XBFJMGRBXJCCJY-UHFFFAOYSA-N	1	0	431.989	4.600	1	0		IJAFRO
COc1cc(Br)c(CNc2ccc(Cl)c(OCC[NH+](C)C)c2)cc1OC	ZINC000095603597	563193500	/nfs/dbraw/zinc/19/35/00/563193500.db2.gz	UPHFHBWITHDJNQ-UHFFFAOYSA-N	1	0	443.769	4.672	1	0		IJAFRO
OC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCC[N@H+]12	ZINC000095876979	563194881	/nfs/dbraw/zinc/19/48/81/563194881.db2.gz	UUQMKBIMCFDWCV-RJGXRXQPSA-N	1	0	436.493	4.670	1	0		IJAFRO
C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cc(C(F)(F)F)c2)CCSC(=[NH2+])N1	ZINC000096174352	563196059	/nfs/dbraw/zinc/19/60/59/563196059.db2.gz	GNNHKGDBVCAJCK-KRWDZBQOSA-N	1	0	428.867	4.673	1	0		IJAFRO
O=C1N=C(c2ccc(F)cc2)C(CC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)O1	ZINC000084495809	132225361	/nfs/dbraw/zinc/22/53/61/132225361.db2.gz	OIPZKLXEVDEHBT-UHFFFAOYSA-N	1	0	436.314	4.858	1	0		IJAFRO
Brc1c[n+]2c(c3ccccc13)N=C1c3ccccc3C(Br)=CN1C2	ZINC000001663452	562924376	/nfs/dbraw/zinc/92/43/76/562924376.db2.gz	MDXOYGRZHOVKLW-UHFFFAOYSA-N	1	0	442.134	4.948	1	0		IJAFRO
[NH3+]CCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1	ZINC000005922487	562945383	/nfs/dbraw/zinc/94/53/83/562945383.db2.gz	AYSWWTDRVUGWKD-UHFFFAOYSA-N	1	0	445.567	4.998	1	0		IJAFRO
COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3ccc4sc(C)nc4c3)CC2)ccc1F	ZINC000011872378	562979563	/nfs/dbraw/zinc/97/95/63/562979563.db2.gz	HHFXDXMYGSIQJW-SFHVURJKSA-N	1	0	439.556	4.993	1	0		IJAFRO
CCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)c(C)n1	ZINC000012316479	562981161	/nfs/dbraw/zinc/98/11/61/562981161.db2.gz	FIHSTCWFBDOULE-FQEVSTJZSA-N	1	0	442.567	4.605	3	0		IJAFRO
COC(=O)c1ccccc1C(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000012434766	562982136	/nfs/dbraw/zinc/98/21/36/562982136.db2.gz	JTQKIDONFQCFAT-QFIPXVFZSA-N	1	0	449.595	4.555	3	0		IJAFRO
CCO[C@]12Cc3c4ccccc4oc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532	ZINC000013492434	562990637	/nfs/dbraw/zinc/99/06/37/562990637.db2.gz	WGBLEWOROOAZNK-CSZVXOJQSA-N	1	0	443.543	4.882	1	0		IJAFRO
CC[NH+]1CCC(CC(=O)Nc2[nH]nc3nc(-c4cccs4)c(Br)cc32)CC1	ZINC000013538647	562992630	/nfs/dbraw/zinc/99/26/30/562992630.db2.gz	GHOXGYVOJHFBKS-UHFFFAOYSA-N	1	0	448.390	4.509	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1	ZINC000013586534	562995342	/nfs/dbraw/zinc/99/53/42/562995342.db2.gz	HNLISXDOJMLKAY-DEOSSOPVSA-N	1	0	435.612	4.571	1	0		IJAFRO
CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc31)C(=[NH2+])N2	ZINC000013600949	562996742	/nfs/dbraw/zinc/99/67/42/562996742.db2.gz	WZXJTHFFHJIZNA-UHFFFAOYSA-N	1	0	427.529	4.659	1	0		IJAFRO
COc1cc(C(C)=O)ccc1NCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1	ZINC000013740881	563003266	/nfs/dbraw/zinc/00/32/66/563003266.db2.gz	MDVOAKSPEFVXPL-UHFFFAOYSA-N	1	0	425.504	4.860	1	0		IJAFRO
CC(C)Oc1ccccc1N1CC[NH+](Cc2cccc(CNC(=O)c3ccccc3)c2)CC1	ZINC000013743867	563003713	/nfs/dbraw/zinc/00/37/13/563003713.db2.gz	LLHWJYJDXPFFRH-UHFFFAOYSA-N	1	0	443.591	4.726	1	0		IJAFRO
C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)c2ccccc21	ZINC000013758046	563004619	/nfs/dbraw/zinc/00/46/19/563004619.db2.gz	SVGQMUSTEVQPIA-HSZRJFAPSA-N	1	0	428.536	4.564	1	0		IJAFRO
CN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O	ZINC000013806856	563008499	/nfs/dbraw/zinc/00/84/99/563008499.db2.gz	KQCKYRUSOWOAAT-SFHVURJKSA-N	1	0	444.406	4.621	1	0		IJAFRO
CC[NH+](CC)CC[C@H](c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(C)cc(=O)oc21	ZINC000013830905	563011124	/nfs/dbraw/zinc/01/11/24/563011124.db2.gz	NKXJKTCWCFCMOZ-HXUWFJFHSA-N	1	0	439.552	4.991	1	0		IJAFRO
FC(F)(F)c1ccc(COC[C@H](c2ccccc2)N2CC[NH2+]CC2)c(C(F)(F)F)c1	ZINC000022926793	563026006	/nfs/dbraw/zinc/02/60/06/563026006.db2.gz	IHOJMXXFLZHXRR-LJQANCHMSA-N	1	0	432.408	4.887	1	0		IJAFRO
FC(F)(F)c1cc(COC[C@@H](c2cccs2)N2CC[NH2+]CC2)cc(C(F)(F)F)c1	ZINC000022926921	563026014	/nfs/dbraw/zinc/02/60/14/563026014.db2.gz	SYKPKIXOVNHMMP-INIZCTEOSA-N	1	0	438.437	4.949	1	0		IJAFRO
CC(=O)NCCCCCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1	ZINC000026250840	563030093	/nfs/dbraw/zinc/03/00/93/563030093.db2.gz	ZXOSLEZIMDVKRV-UKILVPOCSA-N	1	0	427.539	4.971	1	0		IJAFRO
O=C(C[NH2+]Cc1ccccc1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc32)c1	ZINC000026672712	563035402	/nfs/dbraw/zinc/03/54/02/563035402.db2.gz	DCBMTAXBNHTJQT-UHFFFAOYSA-N	1	0	446.938	4.852	1	0		IJAFRO
C[C@H]1NC(=O)N(C[C@@H](CC[NH+]2CCC(c3ccccc3)CC2)c2cccc(Cl)c2)C1=O	ZINC000026834637	563037314	/nfs/dbraw/zinc/03/73/14/563037314.db2.gz	RYWMKHFUOARCRL-XMSQKQJNSA-N	1	0	439.987	4.634	1	0		IJAFRO
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCCC[NH3+])CC[C@@]43C)[C@@]1(O)CC[C@@H]2[C@@H]1COC(=O)C1	ZINC000027523814	563043008	/nfs/dbraw/zinc/04/30/08/563043008.db2.gz	LVRAHHPKVWTPRL-RKELBDFBSA-N	1	0	449.701	4.774	1	0		IJAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)C(C2=CC=CN(C(=O)OC)C2)C1C(=O)OCC(C)C	ZINC000027712504	563045664	/nfs/dbraw/zinc/04/56/64/563045664.db2.gz	LQZLVFZEWVKLTB-OBVHCKHUSA-N	1	0	446.544	4.515	1	0		IJAFRO
COc1cc2c(cc1OC)C(C)(C)CO[C@H]2CC[NH+]1CCN(c2ccc(Cl)cc2)CC1	ZINC000027882352	563047828	/nfs/dbraw/zinc/04/78/28/563047828.db2.gz	BXLZGQFRRWMZQC-QFIPXVFZSA-N	1	0	445.003	4.918	1	0		IJAFRO
CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC	ZINC000027986076	563048898	/nfs/dbraw/zinc/04/88/98/563048898.db2.gz	FPHFICIJDHPAHE-MOPGFXCFSA-N	1	0	429.992	4.668	1	0		IJAFRO
CCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(N)(=O)=O)cc1	ZINC000027997203	563049180	/nfs/dbraw/zinc/04/91/80/563049180.db2.gz	HFTAPRHJPDOHQM-UHFFFAOYSA-N	1	0	429.565	4.897	1	0		IJAFRO
O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cccnc1	ZINC000028523824	563056349	/nfs/dbraw/zinc/05/63/49/563056349.db2.gz	UKEJLBZTQWWYAL-JWQCQUIFSA-N	1	0	428.536	4.701	1	0		IJAFRO
CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C	ZINC000028530884	563057643	/nfs/dbraw/zinc/05/76/43/563057643.db2.gz	UZMKYAVKUAVQJX-VDZSZVPASA-N	1	0	443.950	4.574	1	0		IJAFRO
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1	ZINC000028569187	563058741	/nfs/dbraw/zinc/05/87/41/563058741.db2.gz	OTQWXCRKBQWPCV-UHFFFAOYSA-N	1	0	441.015	4.984	1	0		IJAFRO
O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ncccc1Oc1ccccc1	ZINC000028569317	563058762	/nfs/dbraw/zinc/05/87/62/563058762.db2.gz	ZEWITEBDAOYIQC-UHFFFAOYSA-N	1	0	441.575	4.974	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1c(OC)cccc1OC)[C@@H]1CCc2cc(OC)ccc2C1	ZINC000028765784	563064090	/nfs/dbraw/zinc/06/40/90/563064090.db2.gz	OTVUKCWIAGWBJN-OAQYLSRUSA-N	1	0	441.568	4.529	1	0		IJAFRO
COc1ccc(C2CC[NH+](CCCCNC(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1	ZINC000028957571	563070429	/nfs/dbraw/zinc/07/04/29/563070429.db2.gz	QYJDCQSFLKLISQ-RUDMXATFSA-N	1	0	446.513	4.902	1	0		IJAFRO
C[NH2+]Cc1cc(C(=O)N2CCN(C3CCC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1	ZINC000029131169	563075573	/nfs/dbraw/zinc/07/55/73/563075573.db2.gz	ODHBRFGOHMIIEN-UHFFFAOYSA-N	1	0	448.394	4.815	1	0		IJAFRO
c1c[nH]c(CN(Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@H]2CCCc3cccnc32)n1	ZINC000034039359	563085341	/nfs/dbraw/zinc/08/53/41/563085341.db2.gz	UWDNZPLJAOUFIF-VWLOTQADSA-N	1	0	438.579	4.569	1	0		IJAFRO
COc1ccccc1C[NH+]1CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1	ZINC000034802327	563087597	/nfs/dbraw/zinc/08/75/97/563087597.db2.gz	FICJSUGPVTUXMP-UHFFFAOYSA-N	1	0	441.575	4.629	1	0		IJAFRO
COc1cc(CN(CC[NH3+])C(=O)O[C@@H](C)c2ccccc2)ccc1OCc1ccccc1	ZINC000035076020	563089259	/nfs/dbraw/zinc/08/92/59/563089259.db2.gz	URRBLVUOXIGNQR-FQEVSTJZSA-N	1	0	434.536	4.933	1	0		IJAFRO
Cc1nc2c(cccc2C(F)(F)F)c(=O)n1-c1ccc(OCCC[NH+]2CCCC2)cc1	ZINC000040414052	563102023	/nfs/dbraw/zinc/10/20/23/563102023.db2.gz	OBUQQSWVYWHDKA-UHFFFAOYSA-N	1	0	431.458	4.578	1	0		IJAFRO
COc1ccc(N2CC[C@H](c3cccc(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1	ZINC000040766695	563106647	/nfs/dbraw/zinc/10/66/47/563106647.db2.gz	LKRQSZRVBOAONH-OAQYLSRUSA-N	1	0	428.960	4.734	1	0		IJAFRO
Cc1nnc(C(C)C)n1C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C(C)C)c2ccccc2)CC1	ZINC000040898565	563110760	/nfs/dbraw/zinc/11/07/60/563110760.db2.gz	PBDSIYPGNYKTOA-CVDCTZTESA-N	1	0	425.621	4.639	1	0		IJAFRO
CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)F)cc4)[nH+]c3c2)ccn1	ZINC000040913734	563111097	/nfs/dbraw/zinc/11/10/97/563111097.db2.gz	LZVVSWVIESQYLD-UHFFFAOYSA-N	1	0	427.386	4.872	1	0		IJAFRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)Nc3cccc(N)c3)cc1)CC2	ZINC000040913647	563111110	/nfs/dbraw/zinc/11/11/10/563111110.db2.gz	NUTAPQLSCAKABG-UHFFFAOYSA-N	1	0	446.551	4.531	1	0		IJAFRO
C[NH2+]Cc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)cc1	ZINC000040950204	563113776	/nfs/dbraw/zinc/11/37/76/563113776.db2.gz	JQLUJBPOWANNHO-UHFFFAOYSA-N	1	0	440.975	4.900	1	0		IJAFRO
O=C(NCc1cccc(-c2cccc(C[NH+]3CCCCC3)c2)c1)c1ccc2c(c1)OCO2	ZINC000040952687	563114188	/nfs/dbraw/zinc/11/41/88/563114188.db2.gz	JVKWHJYNBOKMGU-UHFFFAOYSA-N	1	0	428.532	4.998	1	0		IJAFRO
CCCCCN1CC[NH+]([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]43)C[C@@H]2O)CC1	ZINC000040955455	563114644	/nfs/dbraw/zinc/11/46/44/563114644.db2.gz	FIHMOABFVLAYNL-SMNCUOCCSA-N	1	0	446.720	4.537	1	0		IJAFRO
O[C@@H]1CCc2c1[nH+]ccc2Nc1ccc2c(c1)OCCN2CCc1c[nH]c2ccccc12	ZINC000043203745	563119498	/nfs/dbraw/zinc/11/94/98/563119498.db2.gz	OICNNGQJJXUBER-XMMPIXPASA-N	1	0	426.520	4.728	1	0		IJAFRO
CCC[C@H](C)Nc1nc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)cc(C)[nH+]1	ZINC000045195660	563124435	/nfs/dbraw/zinc/12/44/35/563124435.db2.gz	PIZFAOHUKIJASU-MBSDFSHPSA-N	1	0	449.574	4.864	1	0		IJAFRO
Cc1nnc2c(NC(=O)NC3CCCC3)cc3ccc(-c4cccc(C[NH+](C)C)c4)cc3n12	ZINC000045227412	563125495	/nfs/dbraw/zinc/12/54/95/563125495.db2.gz	XJCLUDKOGDGKKX-UHFFFAOYSA-N	1	0	442.567	4.984	1	0		IJAFRO
CCOC(=O)c1cc2cc(OCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2[nH]1	ZINC000045253106	563126816	/nfs/dbraw/zinc/12/68/16/563126816.db2.gz	QSFMQTFAVWMEGW-UHFFFAOYSA-N	1	0	441.959	4.589	1	0	in-vitro	IJAFRO
[NH3+]CCc1ccc(OCC[C@@H]2Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000049115181	563138765	/nfs/dbraw/zinc/13/87/65/563138765.db2.gz	RPXYCOYVFLAOGC-DEOSSOPVSA-N	1	0	436.939	4.605	1	0		IJAFRO
O=C1N=C(c2ccc(F)cc2)C(CC[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)O1	ZINC000053149862	563141012	/nfs/dbraw/zinc/14/10/12/563141012.db2.gz	VIASEBSYVIYYEZ-UHFFFAOYSA-N	1	0	436.314	4.858	1	0	in-man	IJAFRO
[NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)NCCc2ccccc2)n1	ZINC000061904178	563148071	/nfs/dbraw/zinc/14/80/71/563148071.db2.gz	QIZOFAYTXRVSON-QGZVFWFLSA-N	1	0	434.487	4.769	3	0		IJAFRO
Cc1ccc(F)cc1Oc1c(C(=O)N2CC[NH2+]CC2)c2ccccc2n1-c1ccccc1	ZINC000064503539	563153873	/nfs/dbraw/zinc/15/38/73/563153873.db2.gz	UPSWMWSKHKRVIQ-UHFFFAOYSA-N	1	0	429.495	4.916	1	0		IJAFRO
COc1ccc2cc(C[NH2+]CCc3ccc(Br)cc3)c(-c3ncco3)nc2c1	ZINC000064539396	563155077	/nfs/dbraw/zinc/15/50/77/563155077.db2.gz	KGUAJOIDQISJTF-UHFFFAOYSA-N	1	0	438.325	4.993	1	0		IJAFRO
O=C1c2cc(OCC[NH+]3CCCC3)ccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O	ZINC000064548521	563155469	/nfs/dbraw/zinc/15/54/69/563155469.db2.gz	MEDWFLVBZAYHGM-UHFFFAOYSA-N	1	0	426.516	4.558	1	0		IJAFRO
CCn1cc([C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1	ZINC000072101655	563162764	/nfs/dbraw/zinc/16/27/64/563162764.db2.gz	HGJFWHJDIOBYGX-JOCHJYFZSA-N	1	0	429.490	4.665	1	0		IJAFRO
CC(C)(C)OC(=O)N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072102820	563162776	/nfs/dbraw/zinc/16/27/76/563162776.db2.gz	VPCYMUXBYLZXEB-LJQANCHMSA-N	1	0	436.478	4.574	1	0		IJAFRO
CC[C@@H](C)COc1cc(OCCC[NH+]2CCCC2)ccc1C(=O)Nc1cccc(O)c1	ZINC000072182200	563167439	/nfs/dbraw/zinc/16/74/39/563167439.db2.gz	NVAJGSWVQHFLFF-LJQANCHMSA-N	1	0	426.557	4.934	1	0		IJAFRO
CC[C@H](C)COc1cc(OCCC[NH+]2CCCC2)ccc1C(=O)Nc1cccc(O)c1	ZINC000072182201	563167404	/nfs/dbraw/zinc/16/74/04/563167404.db2.gz	NVAJGSWVQHFLFF-IBGZPJMESA-N	1	0	426.557	4.934	1	0		IJAFRO
Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CC[NH2+]CC2)c2ncccc2n1-c1ccccc1	ZINC000072183558	563167660	/nfs/dbraw/zinc/16/76/60/563167660.db2.gz	DLUGZHBBRDGBME-UHFFFAOYSA-N	1	0	444.510	4.619	1	0		IJAFRO
CC(C)Oc1ccc([C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)c2cccnc2)cc1	ZINC000072186139	563168171	/nfs/dbraw/zinc/16/81/71/563168171.db2.gz	FYRONYVIFUYEEN-SANMLTNESA-N	1	0	429.564	4.853	1	0		IJAFRO
C[NH+](C)C[C@@H]1C[C@H]1c1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)c1	ZINC000073198932	563170183	/nfs/dbraw/zinc/17/01/83/563170183.db2.gz	UHAOCIFGWUPNHK-JXFKEZNVSA-N	1	0	433.943	4.700	1	0		IJAFRO
Cc1cc(/C=C2/C(=O)Nc3ccc(F)cc32)c2ccccc(OCC[N@@H+]3CCC[C@H]3CO)c1-2	ZINC000073241334	563171315	/nfs/dbraw/zinc/17/13/15/563171315.db2.gz	ZAXCRUCBIGQULY-BTVXTAIASA-N	1	0	446.522	4.567	1	0		IJAFRO
COc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000073296441	563172162	/nfs/dbraw/zinc/17/21/62/563172162.db2.gz	SVLPKKKLGPYXHD-UHFFFAOYSA-N	1	0	432.572	4.626	1	0		IJAFRO
CCOC(=O)Nc1cc(N[C@H](C)CCC[NH+](CC)CC)c2nc(CC)c(CC)nc2n1	ZINC000082151898	563173355	/nfs/dbraw/zinc/17/33/55/563173355.db2.gz	PKKNQDNINSSYFZ-MRXNPFEDSA-N	1	0	430.597	4.640	1	0		IJAFRO
Clc1ccc(-c2ccc(C3=NOCCCN3c3ccc(N4CC[NH2+]CC4)cc3)o2)cc1	ZINC000084711599	563177500	/nfs/dbraw/zinc/17/75/00/563177500.db2.gz	WRMUTPNZHUXZIZ-UHFFFAOYSA-N	1	0	436.943	4.598	1	0		IJAFRO
COc1ccc2cc([C@@H](O)CC[NH+]3CCC(O)(Cc4ccccc4)CC3)ccc2c1Cl	ZINC000084756897	563179279	/nfs/dbraw/zinc/17/92/79/563179279.db2.gz	ATXUZVSWVVGJPF-QHCPKHFHSA-N	1	0	439.983	4.995	1	0		IJAFRO
CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1F)S2	ZINC000095555452	563181363	/nfs/dbraw/zinc/18/13/63/563181363.db2.gz	FZSWPUOTMIRFQO-QWQBBLJPSA-N	1	0	439.556	4.515	1	0		IJAFRO
Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)Nc3ccc(Cl)cc3)c(=O)oc21	ZINC000095585824	563189052	/nfs/dbraw/zinc/18/90/52/563189052.db2.gz	FLSYYBUQPHVVQC-UHFFFAOYSA-N	1	0	441.915	4.872	1	0		IJAFRO
C[C@@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3)c2)C[C@H](C)[NH2+]1	ZINC000095598538	563192107	/nfs/dbraw/zinc/19/21/07/563192107.db2.gz	OFRVLLSVQZFTGH-IYBDPMFKSA-N	1	0	445.585	4.542	1	0		IJAFRO
O=C(N[C@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1	ZINC000096173846	563195956	/nfs/dbraw/zinc/19/59/56/563195956.db2.gz	RUHFKYBMZVVZRM-DQEYMECFSA-N	1	0	429.589	4.668	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCCN2Cc3ccc4ccccc4c3C2=O)CC1	ZINC000096271157	563196777	/nfs/dbraw/zinc/19/67/77/563196777.db2.gz	YIIWKHZEONNJTQ-UHFFFAOYSA-N	1	0	443.591	4.797	1	0		IJAFRO
CC1(C)O[C@@]2([C@@H]3C[C@@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@]([NH3+])(CCO)C2	ZINC000085543138	291388358	/nfs/dbraw/zinc/38/83/58/291388358.db2.gz	PNLVLSOGXIYPRO-RXVNJIABSA-N	1	0	441.660	4.611	1	0	biogenic,in-vitro	IJAFRO
COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CCCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C	ZINC000085532580	291390453	/nfs/dbraw/zinc/39/04/53/291390453.db2.gz	XFGYKLMUIFUYFX-XXDHUZDESA-N	1	0	445.600	4.656	1	0	biogenic,in-vitro	IJAFRO
O=C1N=C(c2ccc(F)cc2)C(CC[NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)O1	ZINC000095613663	132225565	/nfs/dbraw/zinc/22/55/65/132225565.db2.gz	PHJFBGVYGJCAGI-UHFFFAOYSA-N	1	0	436.314	4.858	1	0		IJAFRO
COc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c1	ZINC000001487009	562922228	/nfs/dbraw/zinc/92/22/28/562922228.db2.gz	VSEXCRCUHFHFTK-UHFFFAOYSA-N	1	0	445.498	4.872	1	0		IJAFRO
C[NH+](C)C[C@H](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1	ZINC000003581441	562936512	/nfs/dbraw/zinc/93/65/12/562936512.db2.gz	GNLAGGCSJGJECE-INIZCTEOSA-N	1	0	448.354	4.572	1	0	in-vivo	IJAFRO
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)[nH+]c(NC3CCCCC3)n2)cc1	ZINC000005500313	562944060	/nfs/dbraw/zinc/94/40/60/562944060.db2.gz	DTCQGTUXIBQKPH-UHFFFAOYSA-N	1	0	448.571	4.858	1	0		IJAFRO
COc1cc2c(cc1OCC1CC[NH2+]CC1)ncnc2Nc1c(F)cc(Cl)cc1F	ZINC000013472795	562988167	/nfs/dbraw/zinc/98/81/67/562988167.db2.gz	FYZOPODRENDNJN-UHFFFAOYSA-N	1	0	434.874	4.692	1	0		IJAFRO
FC(F)(F)c1ccc(O[C@@H](CC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1	ZINC000013861721	563012927	/nfs/dbraw/zinc/01/29/27/563012927.db2.gz	BMVWZIALIBDXGS-QFIPXVFZSA-N	1	0	442.485	4.828	1	0		IJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(OC(F)(F)F)cc4)c3)cc12	ZINC000014961761	563016188	/nfs/dbraw/zinc/01/61/88/563016188.db2.gz	ZNSFWGXQWKZNKB-SFHVURJKSA-N	1	0	442.441	4.781	1	0		IJAFRO
CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1	ZINC000022939480	563026799	/nfs/dbraw/zinc/02/67/99/563026799.db2.gz	ANLPBQYTVZSEEV-IXCJQBJRSA-N	1	0	444.619	4.958	1	0		IJAFRO
COc1ccc(C(=O)Nc2ccccc2NC(=O)OC2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000026177316	563029566	/nfs/dbraw/zinc/02/95/66/563029566.db2.gz	MHIUUKLFKXIBEF-UHFFFAOYSA-N	1	0	446.507	4.560	1	0		IJAFRO
O=C(C[C@@H]1c2ccccc2[NH+]=C(N2CCOCC2)N1c1ccccc1)OCc1ccccc1	ZINC000026993610	563038834	/nfs/dbraw/zinc/03/88/34/563038834.db2.gz	YUFISOYCXRTFOG-RUZDIDTESA-N	1	0	441.531	4.701	1	0		IJAFRO
CCCCNC(=O)C(C)(C)c1cn2cc(-c3csc4ccccc34)nc(CCC[NH3+])c2n1	ZINC000027850285	563047291	/nfs/dbraw/zinc/04/72/91/563047291.db2.gz	OJXJSFDGWYHZTK-UHFFFAOYSA-N	1	0	449.624	4.696	1	0		IJAFRO
COC(=O)c1ccc(COc2ccc3cc([C@@H]([C@@H](C)[NH+](C)C)n4ccnc4)ccc3c2)cc1	ZINC000028130813	563051381	/nfs/dbraw/zinc/05/13/81/563051381.db2.gz	SNSYASMKLBWRLR-NIYFSFCBSA-N	1	0	443.547	4.941	1	0		IJAFRO
Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(C[NH3+])c2Cl)c1=O	ZINC000028331716	563052599	/nfs/dbraw/zinc/05/25/99/563052599.db2.gz	VZXKAOPLYZEOGZ-UHFFFAOYSA-N	1	0	426.307	4.505	1	0		IJAFRO
COC(=O)c1cccc(COc2ccc3cc([C@H]([C@H](C)[NH+](C)C)n4ccnc4)ccc3c2)c1	ZINC000028340102	563052861	/nfs/dbraw/zinc/05/28/61/563052861.db2.gz	FHATZVOKYMKNGI-SIBVEZHUSA-N	1	0	443.547	4.941	1	0		IJAFRO
COC(=O)c1ccc(COc2ccc(Nc3ncnc4ccccc43)c(C[NH+](C)C)c2)cc1	ZINC000028703612	563061673	/nfs/dbraw/zinc/06/16/73/563061673.db2.gz	NRHSVPLKYUZKLA-UHFFFAOYSA-N	1	0	442.519	4.801	1	0		IJAFRO
CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)[NH+]2CCN(c3ccc(O)cc3)CC2)cc1	ZINC000028761792	563063775	/nfs/dbraw/zinc/06/37/75/563063775.db2.gz	PDNYLAOTRZGNIQ-MHZLTWQESA-N	1	0	443.591	4.786	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1	ZINC000028765653	563064098	/nfs/dbraw/zinc/06/40/98/563064098.db2.gz	OZZNKVQJEMSOSF-JOCHJYFZSA-N	1	0	441.568	4.529	1	0		IJAFRO
COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCCN4CCCC(F)(F)C4)ccc32)cc1	ZINC000028818039	563064874	/nfs/dbraw/zinc/06/48/74/563064874.db2.gz	DGCHOADTPWCGNV-XMMPIXPASA-N	1	0	430.539	4.773	1	0		IJAFRO
CN1CC[NH+](CCc2ccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)cc2)CC1	ZINC000028821340	563065333	/nfs/dbraw/zinc/06/53/33/563065333.db2.gz	GFMLSFXYFKGRNS-UHFFFAOYSA-N	1	0	446.986	4.812	1	0		IJAFRO
O=C1O[C@@H](c2ccc3ccccc3n2)CN1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1	ZINC000028892489	563068452	/nfs/dbraw/zinc/06/84/52/563068452.db2.gz	QWIGSVRSLFXCCC-RUZDIDTESA-N	1	0	426.520	4.874	1	0		IJAFRO
O=C1O[C@H](c2cnc3ccccc3c2)CN1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1	ZINC000028892484	563068459	/nfs/dbraw/zinc/06/84/59/563068459.db2.gz	RAAHUCDJWKLDQS-VWLOTQADSA-N	1	0	426.520	4.874	1	0		IJAFRO
CCC[N@@H+]1C[C@@H]2C(c3ccccc3)=CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1	ZINC000029123633	563074048	/nfs/dbraw/zinc/07/40/48/563074048.db2.gz	KRPZLTFXNQAUNI-AHKZPQOWSA-N	1	0	431.624	4.921	1	0		IJAFRO
CCCOC(=O)[C@]1(c2ccccc2)C[C@H]1C[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C	ZINC000029549189	563081843	/nfs/dbraw/zinc/08/18/43/563081843.db2.gz	QXILIDAPWMAIFL-IBMQNIRZSA-N	1	0	433.592	4.828	1	0		IJAFRO
O=C1CCCN1C1CC[NH+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1	ZINC000038359942	563097502	/nfs/dbraw/zinc/09/75/02/563097502.db2.gz	OAUXHFPOFOZZLZ-UHFFFAOYSA-N	1	0	437.565	4.554	1	0		IJAFRO
COc1ccc(CN2CC[NH+]([C@H](c3ccccc3)[C@@H](O)c3ccc(Cl)cc3)CC2)cc1	ZINC000039238989	563098857	/nfs/dbraw/zinc/09/88/57/563098857.db2.gz	WUGJVBVRYOODFP-FTJBHMTQSA-N	1	0	436.983	4.941	1	0		IJAFRO
COc1ccccc1-c1ccc2c(c1)[nH]nc2-c1nc2c(cccc2N2CC[NH+](C)CC2)[nH]1	ZINC000040406206	563101310	/nfs/dbraw/zinc/10/13/10/563101310.db2.gz	NYQAYVWQCAKOAI-UHFFFAOYSA-N	1	0	438.535	4.534	1	0		IJAFRO
CC(=O)CN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCC(C)(C)c4ccccc43)CC2)C1=O	ZINC000040891701	563109881	/nfs/dbraw/zinc/10/98/81/563109881.db2.gz	SFJKZKRGYFETAG-VWLOTQADSA-N	1	0	445.607	4.529	1	0		IJAFRO
CCC[N@H+](CCCCn1ccc2ccc(F)cc21)[C@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040940279	563113381	/nfs/dbraw/zinc/11/33/81/563113381.db2.gz	JDYYDLOQTJPFPM-LJQANCHMSA-N	1	0	441.522	4.514	1	0	in-vitro	IJAFRO
Cn1c(C[N@@H+]2CC[C@H](N3CCc4cc(NC(=O)c5ccco5)ccc43)C2)cc2ccccc21	ZINC000045167231	563122344	/nfs/dbraw/zinc/12/23/44/563122344.db2.gz	BERNZOZGDQOWGZ-QFIPXVFZSA-N	1	0	440.547	4.661	1	0		IJAFRO
Cc1cc(N[C@@H](CC(C)C)C(=O)NCCc2ccccc2)nc(NCc2ccccc2C)[nH+]1	ZINC000045168274	563122612	/nfs/dbraw/zinc/12/26/12/563122612.db2.gz	MYQSOHZHPOQFDD-DEOSSOPVSA-N	1	0	445.611	4.891	1	0		IJAFRO
Cc1cccc(C)c1N1CC[NH+](C2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)CC1	ZINC000045195056	563124362	/nfs/dbraw/zinc/12/43/62/563124362.db2.gz	NTYZPCVATVBYHG-UHFFFAOYSA-N	1	0	430.596	4.648	1	0		IJAFRO
C[N@H+](Cc1cccc(F)c1)C1CCN(c2cc(NC(=O)c3ccc(F)cc3)ccn2)CC1	ZINC000045202621	563125097	/nfs/dbraw/zinc/12/50/97/563125097.db2.gz	KYYVBFKRMJXIHY-UHFFFAOYSA-N	1	0	436.506	4.713	1	0		IJAFRO
Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3(C)C)s1	ZINC000045229429	563125824	/nfs/dbraw/zinc/12/58/24/563125824.db2.gz	MFSZOOCIJMTKSZ-UHFFFAOYSA-N	1	0	434.487	4.801	1	0		IJAFRO
COc1cc2nc(NCCC[NH+]3CCCCC3)nc(NCc3ccccc3)c2cc1OC	ZINC000045231307	563126221	/nfs/dbraw/zinc/12/62/21/563126221.db2.gz	WKVHHVRBPPHPPI-UHFFFAOYSA-N	1	0	435.572	4.547	1	0		IJAFRO
CCCC[N@H+](C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccc(C)s1	ZINC000045301283	563129199	/nfs/dbraw/zinc/12/91/99/563129199.db2.gz	FEZLTQBCMRJAGB-UHFFFAOYSA-N	1	0	431.583	4.937	1	0		IJAFRO
COc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1CN1CC[NH2+]CC1	ZINC000045301422	563129202	/nfs/dbraw/zinc/12/92/02/563129202.db2.gz	BYNUERRBCFEXTR-UHFFFAOYSA-N	1	0	435.955	4.673	1	0		IJAFRO
Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCC(C(N)=O)CC5)cc4)s3)nc21	ZINC000045302754	563129586	/nfs/dbraw/zinc/12/95/86/563129586.db2.gz	KFTZLMPXHWYLNQ-UHFFFAOYSA-N	1	0	430.577	4.964	1	0		IJAFRO
CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@H]2CCCC[NH2+]2)cc1	ZINC000045496647	563134508	/nfs/dbraw/zinc/13/45/08/563134508.db2.gz	JOXLFIXMIHXCKT-JOCHJYFZSA-N	1	0	448.611	4.650	1	0		IJAFRO
Oc1ccc(C[NH+](CCc2ccccn2)Cc2ccc(O)c3ncccc23)c2cccnc12	ZINC000049036355	563136455	/nfs/dbraw/zinc/13/64/55/563136455.db2.gz	XMDWBORUENRXSY-UHFFFAOYSA-N	1	0	436.515	4.834	1	0		IJAFRO
[NH3+]CCc1ccc(OCC[C@H]2Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000049115185	563138752	/nfs/dbraw/zinc/13/87/52/563138752.db2.gz	RPXYCOYVFLAOGC-XMMPIXPASA-N	1	0	436.939	4.605	1	0		IJAFRO
COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000058482418	563143510	/nfs/dbraw/zinc/14/35/10/563143510.db2.gz	CQYVRVJVDCTZCD-HXENYBPASA-N	1	0	445.603	4.772	1	0		IJAFRO
Oc1ccc2c(c1)[C@]13CC[N@@H+](CC4CCCC4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3	ZINC000064527100	563154505	/nfs/dbraw/zinc/15/45/05/563154505.db2.gz	QWTULUQEUAAAGP-MPFGFTFXSA-N	1	0	440.587	4.529	1	0		IJAFRO
O[C@@H]1C[N@H+](Cc2cccs2)[C@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1	ZINC000072137836	563164242	/nfs/dbraw/zinc/16/42/42/563164242.db2.gz	GKOCBPKFAWMLBJ-RBZQAINGSA-N	1	0	434.540	4.695	1	0		IJAFRO
CC(C)(C)C(=O)N1CCC([NH2+][C@@H](c2cncs2)c2ccc(C(F)(F)F)cc2)CC1	ZINC000072184686	563167901	/nfs/dbraw/zinc/16/79/01/563167901.db2.gz	VUIOIFSGKXBSHR-GOSISDBHSA-N	1	0	425.520	4.878	1	0		IJAFRO
C[NH+](C)CCCc1cncc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1	ZINC000082148902	563172971	/nfs/dbraw/zinc/17/29/71/563172971.db2.gz	AAVMTXYKUJWQBU-UHFFFAOYSA-N	1	0	438.988	4.725	1	0		IJAFRO
Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(C)(C)[NH3+])C3(C)C)cc1	ZINC000084729715	563178450	/nfs/dbraw/zinc/17/84/50/563178450.db2.gz	QIZBBXZGNNKGNT-UHFFFAOYSA-N	1	0	435.547	4.556	1	0		IJAFRO
CC[NH+]1CCC(Nc2ccc3c(c2)/C(=C(\c2ncc[nH]2)c2ccc(Cl)cc2)C(=O)N3)CC1	ZINC000084742458	563179312	/nfs/dbraw/zinc/17/93/12/563179312.db2.gz	XHCPCYVQXFHJAU-GHVJWSGMSA-N	1	0	447.970	4.871	1	0	in-vitro	IJAFRO
CCc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1NC1CC[NH+](C)CC1	ZINC000095572880	563184970	/nfs/dbraw/zinc/18/49/70/563184970.db2.gz	SBYIYEABEHQHQQ-UHFFFAOYSA-N	1	0	431.989	4.600	1	0		IJAFRO
Cc1cccc(-c2ccc([C@@H]3[C@H](CO)[N@@H+]4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)c1	ZINC000095874598	563194757	/nfs/dbraw/zinc/19/47/57/563194757.db2.gz	MGHIWFJUGJUZFB-SGNDLWITSA-N	1	0	432.530	4.839	1	0		IJAFRO
COc1ccccc1OCC[NH2+]C[C@@H](O)CCCCOc1cccc2[nH]c3ccccc3c21	ZINC000096939443	563200093	/nfs/dbraw/zinc/20/00/93/563200093.db2.gz	YDPPGQYSCUFJMI-FQEVSTJZSA-N	1	0	448.563	4.908	1	0		IJAFRO
Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N(C)C)cc2F)n(-c2cc3ccccc3cc2F)n1	ZINC000003949171	562939769	/nfs/dbraw/zinc/93/97/69/562939769.db2.gz	DXDQWWHTNHJMLG-UHFFFAOYSA-N	1	0	433.462	4.751	1	0		IJAFRO
O=C(CCC[NH+]1CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1)c1ccccc1	ZINC000005941825	562945436	/nfs/dbraw/zinc/94/54/36/562945436.db2.gz	ZSCNBQKDQRJBRQ-NDEPHWFRSA-N	1	0	449.591	4.735	1	0		IJAFRO
CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1	ZINC000011996454	562980331	/nfs/dbraw/zinc/98/03/31/562980331.db2.gz	KWGNJDALCHJIRV-HXUWFJFHSA-N	1	0	430.976	4.886	1	0		IJAFRO
COC(=O)c1sc2nc(C[N@@H+]3CCC[C@H](C)C3)ccc2c1NC(=O)c1ccc(C)s1	ZINC000012155180	562980978	/nfs/dbraw/zinc/98/09/78/562980978.db2.gz	KONNWOXJAFWQSU-ZDUSSCGKSA-N	1	0	443.594	4.937	1	0		IJAFRO
Nc1cc(F)ccc1C(=O)CCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCS3	ZINC000013488013	562989524	/nfs/dbraw/zinc/98/95/24/562989524.db2.gz	DPASSLWFBPICMV-TZIWHRDSSA-N	1	0	425.573	4.545	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCCN2c3cccc4cccc(c34)C2=O)CC1	ZINC000013531182	562992067	/nfs/dbraw/zinc/99/20/67/562992067.db2.gz	YNNABVPDZUANMA-UHFFFAOYSA-N	1	0	429.564	4.801	1	0		IJAFRO
O=C(NCC/C=C/c1ccccc1)c1ccccc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1	ZINC000013589130	562996145	/nfs/dbraw/zinc/99/61/45/562996145.db2.gz	ONWAMWHXBYSLRY-GZKVFJCDSA-N	1	0	426.560	4.873	1	0		IJAFRO
O=C(NCCCCc1ccccc1)c1ccccc1C[NH2+][C@H]1CCc2cc(O)ccc2C1	ZINC000013589127	562996208	/nfs/dbraw/zinc/99/62/08/562996208.db2.gz	DDVALCPNJKCOGS-VWLOTQADSA-N	1	0	428.576	4.792	1	0		IJAFRO
COc1cc2c(cc1OC)C(=O)C[C@@H](C[NH+]1CCC(c3noc4cc(F)ccc43)CC1)C2	ZINC000013589208	562996292	/nfs/dbraw/zinc/99/62/92/562996292.db2.gz	QESXIMMZZQIWKG-HNNXBMFYSA-N	1	0	438.499	4.609	1	0		IJAFRO
CN(C)C(=O)NCC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1	ZINC000013731208	563001777	/nfs/dbraw/zinc/00/17/77/563001777.db2.gz	MPFZVQLLBTWGHH-UHFFFAOYSA-N	1	0	442.966	4.874	1	0		IJAFRO
Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc(C(=O)C(C)C)cc3c2n1CCC3	ZINC000013740428	563003040	/nfs/dbraw/zinc/00/30/40/563003040.db2.gz	NDBQZFRSLADIGF-UHFFFAOYSA-N	1	0	444.623	4.803	1	0		IJAFRO
CCCN(C)c1cccc(C[NH2+]CC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1	ZINC000013782347	563006818	/nfs/dbraw/zinc/00/68/18/563006818.db2.gz	GGDYXDQZMDYGQL-UHFFFAOYSA-N	1	0	449.426	4.877	1	0		IJAFRO
Clc1ccc(OCCc2ccccc2)c(CCC[NH+]2CCN(c3ncccn3)CC2)c1	ZINC000013795815	563007259	/nfs/dbraw/zinc/00/72/59/563007259.db2.gz	OIVUHYORRWTYGO-UHFFFAOYSA-N	1	0	436.987	4.506	1	0		IJAFRO
[NH2+]=C(NCCCc1c[nH]cn1)NCCC[C@H](c1ccc(Cl)c(Cl)c1)c1ccccn1	ZINC000013816256	563009353	/nfs/dbraw/zinc/00/93/53/563009353.db2.gz	VNQZAPLJUSLDHS-GOSISDBHSA-N	1	0	445.398	4.770	1	0		IJAFRO
CCCCOc1c(OC)cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1OC	ZINC000013863594	563013346	/nfs/dbraw/zinc/01/33/46/563013346.db2.gz	PYSVETIKDWQIHE-UHFFFAOYSA-N	1	0	432.605	4.801	1	0		IJAFRO
COc1ccc(Cl)c(Nc2ncnc3ccc(OC)c(OC4CC[NH+](C)CC4)c32)c1	ZINC000014949474	563015541	/nfs/dbraw/zinc/01/55/41/563015541.db2.gz	IFPJZRSYKZXVBS-UHFFFAOYSA-N	1	0	428.920	4.517	1	0		IJAFRO
[NH3+][C@H](COc1cncc(-c2cc3c(Cl)n[nH]c3cn2)c1)Cc1cccc(C(F)(F)F)c1	ZINC000014961808	563016185	/nfs/dbraw/zinc/01/61/85/563016185.db2.gz	WHPGUDAVAIYVRR-HNNXBMFYSA-N	1	0	447.848	4.641	1	0		IJAFRO
CNc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1	ZINC000014976000	563016841	/nfs/dbraw/zinc/01/68/41/563016841.db2.gz	MOARTSKNGANIHC-XMMPIXPASA-N	1	0	434.628	4.605	1	0		IJAFRO
CN(C)c1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1	ZINC000014975996	563016912	/nfs/dbraw/zinc/01/69/12/563016912.db2.gz	AYPZPRUFAPTKJJ-VWLOTQADSA-N	1	0	448.655	4.629	1	0		IJAFRO
O[C@@H](Cn1c2ccccc2c2cc(Cl)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1	ZINC000022026312	563025334	/nfs/dbraw/zinc/02/53/34/563025334.db2.gz	QPLPTHSTXJTSFQ-JOCHJYFZSA-N	1	0	433.983	4.627	1	0		IJAFRO
COc1ccc([S@@](=O)c2ccc([C@@H](C)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1	ZINC000022447326	563025570	/nfs/dbraw/zinc/02/55/70/563025570.db2.gz	YQGXZPSEAUHNIN-PRAQEBQASA-N	1	0	426.626	4.873	1	0		IJAFRO
CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1	ZINC000022939483	563026867	/nfs/dbraw/zinc/02/68/67/563026867.db2.gz	ANLPBQYTVZSEEV-IAPPQJPRSA-N	1	0	444.619	4.958	1	0		IJAFRO
CC(=O)NCCCCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1	ZINC000026250845	563030084	/nfs/dbraw/zinc/03/00/84/563030084.db2.gz	ZXOSLEZIMDVKRV-ILBGXUMGSA-N	1	0	427.539	4.971	1	0		IJAFRO
Cc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1	ZINC000026376240	563031106	/nfs/dbraw/zinc/03/11/06/563031106.db2.gz	AZBTYTBTYGPQFW-NRFANRHFSA-N	1	0	426.626	4.839	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@H]1C(=O)c2ccccc2C[C@H]1c1ccccc1	ZINC000026815609	563036678	/nfs/dbraw/zinc/03/66/78/563036678.db2.gz	PDAVXRWJDNCAQA-XZOQPEGZSA-N	1	0	431.532	4.511	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@H]1C(=O)c2ccccc2C[C@@H]1c1ccccc1	ZINC000026815598	563036700	/nfs/dbraw/zinc/03/67/00/563036700.db2.gz	PDAVXRWJDNCAQA-DHIUTWEWSA-N	1	0	431.532	4.511	1	0		IJAFRO
O=C1CCc2ccc(OCCCC[NH+]3CCN(c4cc(Cl)ccc4Cl)CC3)cc2N1	ZINC000027741563	563046445	/nfs/dbraw/zinc/04/64/45/563046445.db2.gz	RXINSWHWXBUKKL-UHFFFAOYSA-N	1	0	448.394	4.859	1	0		IJAFRO
COc1cc2c(cc1OC)C(C)(C)CO[C@H]2CC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000027895562	563048173	/nfs/dbraw/zinc/04/81/73/563048173.db2.gz	GDFWIYRRTADKMZ-QFIPXVFZSA-N	1	0	445.003	4.918	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3ccc(Cl)cc3)CC1)OC(C)(C)C2	ZINC000027899529	563048260	/nfs/dbraw/zinc/04/82/60/563048260.db2.gz	NNOWBXBHQCUCHN-JOCHJYFZSA-N	1	0	445.003	4.962	1	0		IJAFRO
CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC	ZINC000027900994	563048373	/nfs/dbraw/zinc/04/83/73/563048373.db2.gz	FPHFICIJDHPAHE-RTBURBONSA-N	1	0	429.992	4.668	1	0		IJAFRO
COC(=O)c1cccc(COc2ccc3cc([C@H]([C@@H](C)[NH+](C)C)n4ccnc4)ccc3c2)c1	ZINC000028340092	563052874	/nfs/dbraw/zinc/05/28/74/563052874.db2.gz	FHATZVOKYMKNGI-BCHFMIIMSA-N	1	0	443.547	4.941	1	0		IJAFRO
COC(=O)c1cccc(COc2ccc3cc([C@@H]([C@@H](C)[NH+](C)C)n4ccnc4)ccc3c2)c1	ZINC000028340086	563052884	/nfs/dbraw/zinc/05/28/84/563052884.db2.gz	FHATZVOKYMKNGI-NIYFSFCBSA-N	1	0	443.547	4.941	1	0		IJAFRO
CCNC(=O)c1ccc(C(Br)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1	ZINC000028396180	563054555	/nfs/dbraw/zinc/05/45/55/563054555.db2.gz	ZBZQAORTBQOLGF-BGYRXZFFSA-N	1	0	429.358	4.962	1	0		IJAFRO
CCCCCC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2ccccc2[nH]c1[C@H]3O5	ZINC000028523478	563056262	/nfs/dbraw/zinc/05/62/62/563056262.db2.gz	IWSGNBBJILPDPI-HLJLCZKJSA-N	1	0	444.575	4.743	1	0		IJAFRO
C[N@@H+]1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)c(Cl)c4)cc3)cc2CC1	ZINC000028704207	563061746	/nfs/dbraw/zinc/06/17/46/563061746.db2.gz	JYXPVNIIIHSWLZ-UHFFFAOYSA-N	1	0	444.959	4.977	1	0		IJAFRO
COc1ccccc1NC1CC[NH+](CCCCNC(=O)c2ccc3ccccc3c2)CC1	ZINC000028869988	563067439	/nfs/dbraw/zinc/06/74/39/563067439.db2.gz	JKUARXXFZBUSAL-UHFFFAOYSA-N	1	0	431.580	4.935	1	0		IJAFRO
O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1ccccc1)c1ccc(Cl)cc1)CC2	ZINC000028886165	563068128	/nfs/dbraw/zinc/06/81/28/563068128.db2.gz	JOQDUMOMWHMJQQ-DEOSSOPVSA-N	1	0	431.967	4.858	1	0		IJAFRO
O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1ccccc1)c1ccccc1Cl)CC2	ZINC000028886146	563068154	/nfs/dbraw/zinc/06/81/54/563068154.db2.gz	WQORCLHRRWRFRW-XMMPIXPASA-N	1	0	431.967	4.858	1	0		IJAFRO
COc1ccc2nc(NCCCCC[NH+]3CCN(c4ccccc4OC)CC3)ccc2c1	ZINC000029135509	563076241	/nfs/dbraw/zinc/07/62/41/563076241.db2.gz	UNSUPNNISFRVRF-UHFFFAOYSA-N	1	0	434.584	4.656	1	0		IJAFRO
c1c[nH]c(CN(Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)n1	ZINC000034039358	563085361	/nfs/dbraw/zinc/08/53/61/563085361.db2.gz	UWDNZPLJAOUFIF-RUZDIDTESA-N	1	0	438.579	4.569	1	0		IJAFRO
C[N@@H+]1C[C@H](C(=O)Nc2ccc(Cl)nn2)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c43)C[C@H]21	ZINC000034800936	563087330	/nfs/dbraw/zinc/08/73/30/563087330.db2.gz	WZWOJXYVHLNKQO-IDHHARJASA-N	1	0	437.975	4.508	1	0		IJAFRO
COC(=O)/C=C/[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2C	ZINC000034891960	563088437	/nfs/dbraw/zinc/08/84/37/563088437.db2.gz	DGPKJAKNLKTHID-GVBRJBHSSA-N	1	0	427.491	4.651	1	0		IJAFRO
COc1ccc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@H]([NH+](C)C)C4)nc2)c3=O)cc1	ZINC000034886820	563088482	/nfs/dbraw/zinc/08/84/82/563088482.db2.gz	AQOMUAHMBWMUKN-NRFANRHFSA-N	1	0	441.531	4.671	1	0		IJAFRO
COc1ccc(CN2CC[NH+]([C@@H](c3ccc(C)cc3)[C@H](O)c3ccc(C)cc3)CC2)cc1	ZINC000039239002	563098973	/nfs/dbraw/zinc/09/89/73/563098973.db2.gz	UJVHPRXCUOXYQR-WUFINQPMSA-N	1	0	430.592	4.905	1	0		IJAFRO
CCC[N@H+](CCCCn1ccc2c1cccc2F)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040413152	563101908	/nfs/dbraw/zinc/10/19/08/563101908.db2.gz	FZGWFYACOMWHSP-KRWDZBQOSA-N	1	0	441.522	4.514	1	0	in-vitro	IJAFRO
CC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2cccc(Cl)c2)c[nH]1	ZINC000040423646	563102733	/nfs/dbraw/zinc/10/27/33/563102733.db2.gz	GJEXMJIBOYSWRX-NRFANRHFSA-N	1	0	445.007	4.769	1	0		IJAFRO
COc1ccc(N2CC=C(c3ccc(Cl)cc3)C2=O)cc1OCC[NH+]1CCCCC1	ZINC000040565371	563104787	/nfs/dbraw/zinc/10/47/87/563104787.db2.gz	XROOERZAYLGFOA-UHFFFAOYSA-N	1	0	426.944	4.644	1	0		IJAFRO
CC(=O)O[C@@H]1C[N@H+]([C@@H]2Cc3cccc4cccc2c34)CC[C@@H]1c1cn(C)c2ncccc12	ZINC000040567083	563104993	/nfs/dbraw/zinc/10/49/93/563104993.db2.gz	CESTVULNPDJEOK-NIJXNBFTSA-N	1	0	425.532	4.745	1	0		IJAFRO
CC[N@H+](CCCCCCCC(F)F)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	ZINC000040620257	563105663	/nfs/dbraw/zinc/10/56/63/563105663.db2.gz	LCTQVCAUJPMWMJ-HXUWFJFHSA-N	1	0	434.593	4.799	1	0		IJAFRO
CCOCCn1c2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000040640462	563105736	/nfs/dbraw/zinc/10/57/36/563105736.db2.gz	GUSFNONLTZZAII-UHFFFAOYSA-N	1	0	440.591	4.984	1	0		IJAFRO
CC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2ccc(Cl)cc2)c[nH]1	ZINC000042877927	563115819	/nfs/dbraw/zinc/11/58/19/563115819.db2.gz	DHQXWGLSHGBIEK-NRFANRHFSA-N	1	0	445.007	4.769	1	0		IJAFRO
Cc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCCN(Cc4ccsc4)CC3)cc2)cc1	ZINC000045194244	563124185	/nfs/dbraw/zinc/12/41/85/563124185.db2.gz	UKCCZLJYYMSULA-UHFFFAOYSA-N	1	0	433.621	4.694	1	0		IJAFRO
COCCN1CC[NH+](Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)CC1	ZINC000045201131	563124657	/nfs/dbraw/zinc/12/46/57/563124657.db2.gz	XGXDTNWRNKGCNQ-UHFFFAOYSA-N	1	0	426.564	4.661	1	0		IJAFRO
COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(C2CC[NH+](C)CC2)c1	ZINC000045227455	563125508	/nfs/dbraw/zinc/12/55/08/563125508.db2.gz	UIXTVSIPFJGTOM-RMKNXTFCSA-N	1	0	429.358	4.919	1	0		IJAFRO
O=C(c1ccc(C[NH+]2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1	ZINC000045245567	563126564	/nfs/dbraw/zinc/12/65/64/563126564.db2.gz	RRZYXZCEHAPBIS-UHFFFAOYSA-N	1	0	438.449	4.751	1	0		IJAFRO
CC[NH+](CC)CCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1ccnn1C	ZINC000045255047	563127240	/nfs/dbraw/zinc/12/72/40/563127240.db2.gz	XKFJDCNCTNNSOQ-UHFFFAOYSA-N	1	0	425.508	4.591	1	0		IJAFRO
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc([C@H]2CCC[N@H+](C)C2)cc1	ZINC000045301263	563129214	/nfs/dbraw/zinc/12/92/14/563129214.db2.gz	MTYOGMFNMNMRCG-NUCSPZLJSA-N	1	0	429.358	4.919	1	0		IJAFRO
Nc1ncc2c(n1)c(-c1cc3c[nH]nc3c(-c3cc4ccccc4s3)c1)cn2CCC[NH3+]	ZINC000045338837	563131758	/nfs/dbraw/zinc/13/17/58/563131758.db2.gz	LRZYYIZFBXFSJB-UHFFFAOYSA-N	1	0	439.548	4.787	1	0		IJAFRO
Cc1cc(NC(=O)OC[C@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)n(C)n1	ZINC000045392231	563134188	/nfs/dbraw/zinc/13/41/88/563134188.db2.gz	GUFLDWJZHZVTCO-SFHVURJKSA-N	1	0	449.536	4.596	1	0		IJAFRO
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccccc1	ZINC000049112805	563138403	/nfs/dbraw/zinc/13/84/03/563138403.db2.gz	LMXDOEYEXPQYLB-MHZLTWQESA-N	1	0	437.543	4.867	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CCN(c3ccc(C)cc3C)CC2)o1	ZINC000053295782	563141816	/nfs/dbraw/zinc/14/18/16/563141816.db2.gz	UWKLNFSFIWJPQS-UHFFFAOYSA-N	1	0	432.612	4.823	1	0		IJAFRO
CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc(Cl)c2)CC[C@H]([NH+](C)C)C1	ZINC000060326092	563147020	/nfs/dbraw/zinc/14/70/20/563147020.db2.gz	GBFUWADFIBAMRC-HNNXBMFYSA-N	1	0	435.014	4.673	1	0		IJAFRO
COc1cccc(Cl)c1OCC[NH2+]CCOc1ccccc1OCc1ccccc1	ZINC000064417048	563152896	/nfs/dbraw/zinc/15/28/96/563152896.db2.gz	WPQSKLTVRIUFBU-UHFFFAOYSA-N	1	0	427.928	4.975	1	0		IJAFRO
COCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)c(C[NH3+])c1	ZINC000066112314	563158993	/nfs/dbraw/zinc/15/89/93/563158993.db2.gz	HTTYROVIMQHHGU-RUZDIDTESA-N	1	0	441.579	4.643	1	0		IJAFRO
COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(NC4CCCCC4)n3)cc2CC1	ZINC000072175625	563165511	/nfs/dbraw/zinc/16/55/11/563165511.db2.gz	LBMWDLUJEOLXOE-UHFFFAOYSA-N	1	0	429.996	4.665	1	0		IJAFRO
Cc1cccc(C)c1Sc1c(C(=O)N2CC[NH2+]CC2)c2ncccc2n1-c1ccccc1	ZINC000072183559	563167644	/nfs/dbraw/zinc/16/76/44/563167644.db2.gz	JMWORWQLZQVPDR-UHFFFAOYSA-N	1	0	442.588	4.839	1	0		IJAFRO
C[NH+](C)C[C@H]1C[C@H]1c1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)c1	ZINC000073198933	563170174	/nfs/dbraw/zinc/17/01/74/563170174.db2.gz	UHAOCIFGWUPNHK-UZLBHIALSA-N	1	0	433.943	4.700	1	0		IJAFRO
C[C@@H]1CCC[N@@H+]1CCc1ccc(-c2ccc(S(=O)(=O)C[C@@H]3CCCCO3)cc2)cc1	ZINC000073224822	563171059	/nfs/dbraw/zinc/17/10/59/563171059.db2.gz	AHDCQPKUMADGLJ-YKSBVNFPSA-N	1	0	427.610	4.723	1	0		IJAFRO
[NH3+]C1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc32)CC1	ZINC000084710148	563177352	/nfs/dbraw/zinc/17/73/52/563177352.db2.gz	QJLMOARFSPIREY-UHFFFAOYSA-N	1	0	426.568	4.665	1	0		IJAFRO
CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@H]([NH3+])CC2	ZINC000088260980	563180305	/nfs/dbraw/zinc/18/03/05/563180305.db2.gz	YRTNBAZNRCOKHW-DNQXCXABSA-N	1	0	449.060	4.544	1	0		IJAFRO
COc1ccccc1-c1ccc2cnc(Nc3ccc(C4CC[NH+](C)CC4)cc3OC)nn21	ZINC000095574369	563185342	/nfs/dbraw/zinc/18/53/42/563185342.db2.gz	TZQJLQWNUAZYJQ-UHFFFAOYSA-N	1	0	443.551	4.966	1	0		IJAFRO
Cc1cc(=O)oc2cc(OCCCC[NH+]3CCN(c4nsc5ccccc54)CC3)ccc12	ZINC000096929503	563198660	/nfs/dbraw/zinc/19/86/60/563198660.db2.gz	VNVPVBRRPQUQFA-UHFFFAOYSA-N	1	0	449.576	4.692	1	0		IJAFRO
COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@H]2[N@H+]2CCCC[C@H]2C1	ZINC000014828690	571725429	/nfs/dbraw/zinc/72/54/29/571725429.db2.gz	RYMSMTOEKVDTDB-WAOWUJCRSA-N	1	0	437.536	4.624	1	0	endogenous,in-man	IJAFRO
COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1	ZINC000003819079	562938722	/nfs/dbraw/zinc/93/87/22/562938722.db2.gz	JRYQEJUKNHQEBY-UHFFFAOYSA-N	1	0	426.944	4.644	1	0		IJAFRO
COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C=Cc3cn(C)c4ccc(Cl)cc34)n[nH]2)C1	ZINC000003820765	562938756	/nfs/dbraw/zinc/93/87/56/562938756.db2.gz	SITXHAVZQRLLMP-VYMYXMEBSA-N	1	0	426.948	4.547	1	0		IJAFRO
CC(=O)O[C@H]1[C@@H]([NH+]2CCCC2)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000005540039	562944021	/nfs/dbraw/zinc/94/40/21/562944021.db2.gz	ARKXPMJVWUONKD-XTZJLTRESA-N	1	0	443.628	4.887	1	0		IJAFRO
CN1Cc2ccccc2[C@H](c2ccccc2)[NH+]=C1CCc1ccc(NS(C)(=O)=O)cc1	ZINC000006013432	562945748	/nfs/dbraw/zinc/94/57/48/562945748.db2.gz	PQXDMDKGGOCVLO-VWLOTQADSA-N	1	0	433.577	4.624	1	0		IJAFRO
CC[N@@H+]1CCC[C@@H]1Cn1c2nc(C)nc(NCc3ccccc3)c2nc1-c1ccccc1	ZINC000007991855	562948700	/nfs/dbraw/zinc/94/87/00/562948700.db2.gz	IZFQMBYVOBQEAY-JOCHJYFZSA-N	1	0	426.568	4.898	1	0		IJAFRO
CCOC(=O)Cc1cccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)c1	ZINC000013473998	562988607	/nfs/dbraw/zinc/98/86/07/562988607.db2.gz	GLIUNQHLAMGIRM-UHFFFAOYSA-N	1	0	441.434	4.642	1	0		IJAFRO
CCOC(=O)c1cccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)c1	ZINC000013473985	562988611	/nfs/dbraw/zinc/98/86/11/562988611.db2.gz	CUTZXEYKAIJABC-UHFFFAOYSA-N	1	0	427.407	4.714	1	0		IJAFRO
CC(=O)c1ccc(N2CC[NH+](CCCCCC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1	ZINC000013586562	562995392	/nfs/dbraw/zinc/99/53/92/562995392.db2.gz	UHCPVWAOSVJECK-MHZLTWQESA-N	1	0	447.623	4.765	1	0		IJAFRO
C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000013684885	563001127	/nfs/dbraw/zinc/00/11/27/563001127.db2.gz	ALQAMNULXPBAQR-HSZRJFAPSA-N	1	0	428.985	4.978	1	0		IJAFRO
CN(C)C(=O)[C@H]1CCC[N@H+](CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1	ZINC000013729578	563001669	/nfs/dbraw/zinc/00/16/69/563001669.db2.gz	XKSUMSCWGDNBTA-IBGZPJMESA-N	1	0	435.395	4.900	1	0		IJAFRO
CC(C)=C1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O	ZINC000014962442	563016174	/nfs/dbraw/zinc/01/61/74/563016174.db2.gz	YAAYJTOFCDAUQL-FQEVSTJZSA-N	1	0	438.531	4.924	1	0		IJAFRO
CC(C)(C)[NH2+]CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c1ncnc2N	ZINC000014974528	563016792	/nfs/dbraw/zinc/01/67/92/563016792.db2.gz	YKXSVQOUAZYKNL-UHFFFAOYSA-N	1	0	448.021	4.601	1	0		IJAFRO
C[C@H]1C[C@@H](c2c[nH]c3cc(F)ccc32)CC[N@@H+]1CC[C@@H]1OCCc2cc(C(N)=O)ccc21	ZINC000026494573	563032605	/nfs/dbraw/zinc/03/26/05/563032605.db2.gz	ZEJSMIRALRRUAZ-TZPNTHKFSA-N	1	0	435.543	4.678	1	0		IJAFRO
NC(=O)c1ccc2c(c1)CCO[C@H]2CC[N@H+]1CC=C(c2c[nH]c3cc(Cl)ccc32)CC1	ZINC000026499234	563032693	/nfs/dbraw/zinc/03/26/93/563032693.db2.gz	BGSCMPXCMQXFNP-DEOSSOPVSA-N	1	0	435.955	4.713	1	0		IJAFRO
CN1Cc2ccccc2[C@H](c2ccccc2)[NH+]=C1CCc1ccccc1NS(C)(=O)=O	ZINC000026569627	563033273	/nfs/dbraw/zinc/03/32/73/563033273.db2.gz	UDZPTQPXFHAOAZ-VWLOTQADSA-N	1	0	433.577	4.624	1	0		IJAFRO
COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3ccc(F)cc3)CC1)OCC(C)(C)C2	ZINC000027735275	563046320	/nfs/dbraw/zinc/04/63/20/563046320.db2.gz	WZFORXCJYIXCAX-QHCPKHFHSA-N	1	0	442.575	4.695	1	0		IJAFRO
CC(=O)N1CC[C@H](C)c2cccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c21	ZINC000028527652	563057060	/nfs/dbraw/zinc/05/70/60/563057060.db2.gz	GHUSLXGCIAVXOA-SFHVURJKSA-N	1	0	434.609	4.521	1	0		IJAFRO
COc1ccc(CCC(C)(C)[NH3+])cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc21	ZINC000028565895	563058158	/nfs/dbraw/zinc/05/81/58/563058158.db2.gz	CRDVXBHHBYGMPQ-UHFFFAOYSA-N	1	0	438.482	4.720	1	0		IJAFRO
O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ncccc1-c1ccccc1	ZINC000028569182	563058696	/nfs/dbraw/zinc/05/86/96/563058696.db2.gz	GVVQWXUGQDMYBR-UHFFFAOYSA-N	1	0	425.576	4.849	1	0		IJAFRO
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCC[NH+](C)C)c4[nH]nc(N)c43)cc2)c1	ZINC000028604291	563059643	/nfs/dbraw/zinc/05/96/43/563059643.db2.gz	KHIGYHIMVWQYPO-UHFFFAOYSA-N	1	0	444.539	4.705	1	0		IJAFRO
C[N@@H+]1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1	ZINC000028704205	563061790	/nfs/dbraw/zinc/06/17/90/563061790.db2.gz	FLVVAVLMHCUYGY-UHFFFAOYSA-N	1	0	426.969	4.838	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2ccc(OC)cc2C1	ZINC000028766625	563064102	/nfs/dbraw/zinc/06/41/02/563064102.db2.gz	SSNDRFPGPSSIER-JOCHJYFZSA-N	1	0	441.568	4.529	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2c(cccc2OC)C1	ZINC000028767010	563064187	/nfs/dbraw/zinc/06/41/87/563064187.db2.gz	HJJWUVFFECFTCW-NRFANRHFSA-N	1	0	441.568	4.529	1	0		IJAFRO
NC(=[NH2+])NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12	ZINC000028826217	563066493	/nfs/dbraw/zinc/06/64/93/563066493.db2.gz	PVTQDPKZDIWQRL-UHFFFAOYSA-N	1	0	441.579	4.546	1	0		IJAFRO
CC(C)C(=O)Nc1nc2ccc(C(=O)NCC[NH2+]Cc3ccc4ccccc4c3)cc2s1	ZINC000028967630	563071042	/nfs/dbraw/zinc/07/10/42/563071042.db2.gz	LCKCEUCYWJQNFE-UHFFFAOYSA-N	1	0	446.576	4.564	1	0		IJAFRO
Cc1ccccc1N1CC[NH+](C[C@H](C)Nc2nc(C(F)(F)F)nc3ccccc32)CC1	ZINC000029127075	563074813	/nfs/dbraw/zinc/07/48/13/563074813.db2.gz	XXKVQRQWTNIHRQ-KRWDZBQOSA-N	1	0	429.490	4.580	1	0		IJAFRO
C[NH+](C)CCCCCNc1c(Br)cccc1Nc1ncnc2ccncc21	ZINC000029133031	563075834	/nfs/dbraw/zinc/07/58/34/563075834.db2.gz	BLPCFKNVCFEYJU-UHFFFAOYSA-N	1	0	429.366	4.675	1	0		IJAFRO
O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CC[NH+](Cc2ccccc2)CC1	ZINC000034802218	563087585	/nfs/dbraw/zinc/08/75/85/563087585.db2.gz	VPDMCJAWFJFKGY-UHFFFAOYSA-N	1	0	439.603	4.900	1	0		IJAFRO
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=[NH+][C@H]1c1ccccc1	ZINC000036379172	563093545	/nfs/dbraw/zinc/09/35/45/563093545.db2.gz	WELLNFPFJGPCRA-VWLOTQADSA-N	1	0	425.532	4.836	3	0		IJAFRO
COc1ccc(CN2CC[NH+]([C@H](c3ccc(C)cc3)[C@H](O)c3ccc(C)cc3)CC2)cc1	ZINC000039239003	563098997	/nfs/dbraw/zinc/09/89/97/563098997.db2.gz	UJVHPRXCUOXYQR-VSGBNLITSA-N	1	0	430.592	4.905	1	0		IJAFRO
CC(C)[C@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)/C=C/c1ccc(O)cc1	ZINC000040718638	563106047	/nfs/dbraw/zinc/10/60/47/563106047.db2.gz	LGWQLPKNPOCPDB-NAOHIIHASA-N	1	0	436.596	4.552	1	0		IJAFRO
Cc1nnc(C(C)C)n1C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1	ZINC000040892244	563110014	/nfs/dbraw/zinc/11/00/14/563110014.db2.gz	PISDDJAHCRTSLZ-CYFREDJKSA-N	1	0	437.632	4.783	1	0		IJAFRO
CCCN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1	ZINC000040975677	563115267	/nfs/dbraw/zinc/11/52/67/563115267.db2.gz	BEUGAPZWQJZYFX-UHFFFAOYSA-N	1	0	449.942	4.907	1	0		IJAFRO
COc1ccc(-c2cccc(NC(=O)c3ccccc3)c2)cc1CN1CCC[N@H+](C)CC1	ZINC000045188139	563123022	/nfs/dbraw/zinc/12/30/22/563123022.db2.gz	LZJFHRUKSXGOCC-UHFFFAOYSA-N	1	0	429.564	4.752	1	0		IJAFRO
CCC[N@H+](CCN1CCN(c2cccc3ccccc32)CC1)[C@@H]1CCc2ccc(O)cc2C1	ZINC000045254796	563127140	/nfs/dbraw/zinc/12/71/40/563127140.db2.gz	JCZBIVTZYYLWOL-AREMUKBSSA-N	1	0	443.635	4.937	1	0		IJAFRO
Cc1nnc2c(NC(=O)NC3CCCC3)cc3cc(-c4ccc(C[NH+](C)C)cc4)ccc3n12	ZINC000045316922	563129935	/nfs/dbraw/zinc/12/99/35/563129935.db2.gz	YIFIWFJMRWKFGE-UHFFFAOYSA-N	1	0	442.567	4.984	1	0		IJAFRO
[NH3+]C(CO)(CO)CCc1ccc(-c2ccc(Sc3ccc(Cl)cc3)cc2F)cc1	ZINC000049070784	563137828	/nfs/dbraw/zinc/13/78/28/563137828.db2.gz	ROTMQVKHHRIZRI-UHFFFAOYSA-N	1	0	431.960	4.912	1	0		IJAFRO
COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)c3cccc(OC(F)(F)F)c3)n2)cc1	ZINC000061896802	563147487	/nfs/dbraw/zinc/14/74/87/563147487.db2.gz	ZHHKQKGCGKJACE-INIZCTEOSA-N	1	0	437.443	4.545	3	0		IJAFRO
Cc1ccc([C@@H](NC(=O)C2CC[NH+](CCCOc3ccccc3)CC2)c2ccccn2)cc1	ZINC000061906893	563148635	/nfs/dbraw/zinc/14/86/35/563148635.db2.gz	ZUTZAJKZFMLOOR-HHHXNRCGSA-N	1	0	443.591	4.777	3	0		IJAFRO
C[C@@H](C[NH2+]C1CCCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072180012	563166742	/nfs/dbraw/zinc/16/67/42/563166742.db2.gz	VKFDIGARNLAZKL-YVEFUNNKSA-N	1	0	449.439	4.816	1	0		IJAFRO
CC(=O)NCCc1ccc(C(=O)CCC[NH+]2CCC(c3ccc(Cl)cc3)CC2)cc1	ZINC000073170048	563169833	/nfs/dbraw/zinc/16/98/33/563169833.db2.gz	WIKHLOSAQOFDGC-UHFFFAOYSA-N	1	0	426.988	4.861	1	0		IJAFRO
CCC[NH+]1CCC(n2nc(-c3ccc4cc(OCC)ccc4c3)c3c2ncnc3N)CC1	ZINC000084688064	563175977	/nfs/dbraw/zinc/17/59/77/563175977.db2.gz	PPXYWUHAYDYRIY-UHFFFAOYSA-N	1	0	430.556	4.674	1	0		IJAFRO
Clc1ccc2c(c1)nc(Cn1nc3ccccc3n1)n2C[C@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000084725867	563178232	/nfs/dbraw/zinc/17/82/32/563178232.db2.gz	SHWYHWFGFBJLJF-VGOFRKELSA-N	1	0	434.975	4.747	1	0		IJAFRO
NC(=O)c1cccc(-c2ccc(OCCC[N@@H+]3CC[C@@H](OCc4ccccc4)C3)cc2)c1	ZINC000084741511	563179048	/nfs/dbraw/zinc/17/90/48/563179048.db2.gz	JNMBSVIWHJXOQM-AREMUKBSSA-N	1	0	430.548	4.513	1	0		IJAFRO
Cc1cccc(-c2ccc([C@@H]3[C@H](CO)[N@@H+]4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1	ZINC000095566475	563183474	/nfs/dbraw/zinc/18/34/74/563183474.db2.gz	MGHIWFJUGJUZFB-HJOGWXRNSA-N	1	0	432.530	4.839	1	0		IJAFRO
CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](CCOc2cccc(-c3ccccc3)c2)C1	ZINC000095573158	563184945	/nfs/dbraw/zinc/18/49/45/563184945.db2.gz	NQDBGYUMMABVHZ-QHCPKHFHSA-N	1	0	430.548	4.635	1	0		IJAFRO
COCc1cc(NC(=O)c2ccc(Br)cc2)cc([C@]2(C)CCSC(=[NH2+])N2)c1	ZINC000096174376	563196063	/nfs/dbraw/zinc/19/60/63/563196063.db2.gz	QJDYGDJENJQNNN-FQEVSTJZSA-N	1	0	448.386	4.515	1	0		IJAFRO
COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@H]2[N@H+]2CCCC[C@H]2C1	ZINC000014828693	571725570	/nfs/dbraw/zinc/72/55/70/571725570.db2.gz	RYMSMTOEKVDTDB-BBTUJRGHSA-N	1	0	437.536	4.624	1	0	endogenous,in-man	IJAFRO
O=c1oc(CC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(-c2ccc(F)cc2)o1	ZINC000001841878	562924864	/nfs/dbraw/zinc/92/48/64/562924864.db2.gz	DRNXEAJAKDQKOV-UHFFFAOYSA-N	1	0	437.298	4.710	1	0		IJAFRO
C[C@H]([NH3+])C(=O)N1CCC[C@H]1P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	ZINC000003823296	562938898	/nfs/dbraw/zinc/93/88/98/562938898.db2.gz	DAXVHMWEFWACMY-SCLBCKFNSA-N	1	0	443.267	4.940	1	0		IJAFRO
C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5	ZINC000003943034	562939683	/nfs/dbraw/zinc/93/96/83/562939683.db2.gz	PFCJBVJVJPUGBT-RXJAJXMTSA-N	1	0	430.935	4.912	1	0		IJAFRO
Cc1nc2c(nc(-c3ccccc3)n2CC[NH+]2CCCCC2)c(NCc2ccccc2)n1	ZINC000007991818	562948673	/nfs/dbraw/zinc/94/86/73/562948673.db2.gz	JNRWUPNBBVBVQG-UHFFFAOYSA-N	1	0	426.568	4.900	1	0		IJAFRO
COc1ccc2ccccc2c1C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccccc3)O2)CC1	ZINC000011911153	562979798	/nfs/dbraw/zinc/97/97/98/562979798.db2.gz	BOKYKOBEZKSTQU-HSZRJFAPSA-N	1	0	444.575	4.792	1	0		IJAFRO
CCCn1ncc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c1C	ZINC000012297893	562980936	/nfs/dbraw/zinc/98/09/36/562980936.db2.gz	MDLNKBCAXUQUPV-UHFFFAOYSA-N	1	0	440.979	4.541	3	0		IJAFRO
COc1cccc(NC(=O)N2CCC[C@H]([NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1	ZINC000013443598	562986693	/nfs/dbraw/zinc/98/66/93/562986693.db2.gz	KAGQMZHDWWRBEU-QHCPKHFHSA-N	1	0	425.548	4.785	1	0		IJAFRO
Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccccc5)cc4)c31)NC2=[NH2+]	ZINC000013450137	562987229	/nfs/dbraw/zinc/98/72/29/562987229.db2.gz	SZSKLLKKILTYOQ-UHFFFAOYSA-N	1	0	441.556	4.968	1	0		IJAFRO
Cc1cc(Br)cc2c1NCC[C@@H]2[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1	ZINC000013487804	562989626	/nfs/dbraw/zinc/98/96/26/562989626.db2.gz	JBUPRIGLDREWRQ-SFHVURJKSA-N	1	0	441.373	4.960	1	0		IJAFRO
Cc1ccc(CCOc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2F)cc1	ZINC000013643365	562998608	/nfs/dbraw/zinc/99/86/08/562998608.db2.gz	YDFSVSGREUOAEZ-UHFFFAOYSA-N	1	0	447.554	4.797	1	0		IJAFRO
Cc1cccc(NC(=O)Nc2ccc(-c3c(C[NH+](C)C)sc4ncnc(N)c43)cc2)c1	ZINC000013673658	563000208	/nfs/dbraw/zinc/00/02/08/563000208.db2.gz	IYGZACNLMUEZEJ-UHFFFAOYSA-N	1	0	432.553	4.955	1	0		IJAFRO
COc1cc(CC[NH2+]Cc2ccc(Br)cc2)c(OC)cc1Br	ZINC000013737382	563002575	/nfs/dbraw/zinc/00/25/75/563002575.db2.gz	BNJIESZKJPCAQX-UHFFFAOYSA-N	1	0	429.152	4.561	1	0		IJAFRO
CCC[N@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1	ZINC000013760023	563004888	/nfs/dbraw/zinc/00/48/88/563004888.db2.gz	BYVRVQNZFICZEB-OAQYLSRUSA-N	1	0	428.592	4.885	1	0		IJAFRO
O=c1[nH]c2ccc(CCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1	ZINC000013779686	563006222	/nfs/dbraw/zinc/00/62/22/563006222.db2.gz	VSWGAMIGTKHGDL-UHFFFAOYSA-N	1	0	435.515	4.753	1	0		IJAFRO
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1	ZINC000014961600	563016094	/nfs/dbraw/zinc/01/60/94/563016094.db2.gz	NWMPVMMGSHXANZ-RWFYVVHNSA-N	1	0	436.515	4.518	1	0		IJAFRO
COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1	ZINC000015066020	563017449	/nfs/dbraw/zinc/01/74/49/563017449.db2.gz	LDEYAFBKDNJFOY-GOSISDBHSA-N	1	0	436.556	4.876	3	0		IJAFRO
O[C@H](Cn1c2ccccc2c2cc(Cl)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1	ZINC000022026310	563025331	/nfs/dbraw/zinc/02/53/31/563025331.db2.gz	QPLPTHSTXJTSFQ-QFIPXVFZSA-N	1	0	433.983	4.627	1	0		IJAFRO
OC1(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCCC4)c3)o2)CC[NH2+]CC1	ZINC000027189157	563040332	/nfs/dbraw/zinc/04/03/32/563040332.db2.gz	SAMLUEXYGUANPP-UHFFFAOYSA-N	1	0	436.531	4.858	1	0		IJAFRO
O=C1c2ccccc2C(=O)N1CCCCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1	ZINC000027405987	563041774	/nfs/dbraw/zinc/04/17/74/563041774.db2.gz	VURPIGYSDZFRHH-UHFFFAOYSA-N	1	0	431.511	4.863	1	0		IJAFRO
CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)C[C@@H]2OC(=O)[C@H](CCCCC(N)=[NH2+])[C@@H]32)c1	ZINC000027437537	563042409	/nfs/dbraw/zinc/04/24/09/563042409.db2.gz	CVKFEHNQANRAAT-GIFXNVAJSA-N	1	0	447.579	4.513	1	0		IJAFRO
CNC(=O)c1cccc(COc2ccc3cc([C@H]([C@@H](C)[NH+](C)C)n4ccnc4)ccc3c2)c1	ZINC000028344997	563052937	/nfs/dbraw/zinc/05/29/37/563052937.db2.gz	YRZCYALYRQWTET-BCHFMIIMSA-N	1	0	442.563	4.514	1	0		IJAFRO
CC(=O)N1CC[C@@H](C)c2cccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c21	ZINC000028527650	563057088	/nfs/dbraw/zinc/05/70/88/563057088.db2.gz	GHUSLXGCIAVXOA-GOSISDBHSA-N	1	0	434.609	4.521	1	0		IJAFRO
[NH3+][C@H]1CN(c2cc(-c3cccc(C(F)(F)F)c3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F	ZINC000028823842	563065949	/nfs/dbraw/zinc/06/59/49/563065949.db2.gz	FPTQROWVJQTCIK-KDOFPFPSSA-N	1	0	438.375	4.511	1	0		IJAFRO
O=C(c1ccc(C[NH+]2CCCCC2)cc1)N(CCc1ccccc1Cl)[C@@H]1CCOC1	ZINC000028823649	563065969	/nfs/dbraw/zinc/06/59/69/563065969.db2.gz	JFFXOTJSGWCHKR-HSZRJFAPSA-N	1	0	426.988	4.800	1	0		IJAFRO
O=C1O[C@@H](c2cnc3ccccc3c2)CN1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1	ZINC000028892479	563068476	/nfs/dbraw/zinc/06/84/76/563068476.db2.gz	RAAHUCDJWKLDQS-RUZDIDTESA-N	1	0	426.520	4.874	1	0		IJAFRO
O=C1O[C@@H](c2ccnc3ccccc32)CN1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1	ZINC000028892460	563068482	/nfs/dbraw/zinc/06/84/82/563068482.db2.gz	CPIBHOSTAJXYKE-RUZDIDTESA-N	1	0	426.520	4.874	1	0		IJAFRO
O[C@@H](Cc1ccccc1)CN1CC[N@@H+]2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1	ZINC000029056526	563073459	/nfs/dbraw/zinc/07/34/59/563073459.db2.gz	WRZZCPUVRXRVCC-KCHLEUMXSA-N	1	0	426.604	4.571	1	0		IJAFRO
CCN1C[C@H](O)C[C@H]1C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1	ZINC000029125571	563074357	/nfs/dbraw/zinc/07/43/57/563074357.db2.gz	CKDGVAVJJRTDRW-BJKOFHAPSA-N	1	0	448.586	4.517	1	0		IJAFRO
O=S(=O)(c1cccc2ccccc21)n1ccc2ccc(N3CC[N@@H+]4CCCC[C@@H]4C3)cc21	ZINC000029462876	563080228	/nfs/dbraw/zinc/08/02/28/563080228.db2.gz	LOLNUGRRRGWLEA-HSZRJFAPSA-N	1	0	445.588	4.706	1	0		IJAFRO
Fc1ccc(Cn2c(NC3CC[NH+](CCc4cccs4)CC3)nc3cccnc32)cc1	ZINC000029567585	563082675	/nfs/dbraw/zinc/08/26/75/563082675.db2.gz	YLEQVSVRHLRFMM-UHFFFAOYSA-N	1	0	435.572	4.799	1	0		IJAFRO
CCN(CC)C(=O)c1ccc([C@]2(c3cccc(O)c3)CCC[N@H+](Cc3nccs3)C2)cc1	ZINC000033971505	563085152	/nfs/dbraw/zinc/08/51/52/563085152.db2.gz	ZAKIMSJDFSDBER-SANMLTNESA-N	1	0	449.620	4.913	1	0		IJAFRO
O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC[NH+](CCc2ccccc2)CC1	ZINC000034802181	563087608	/nfs/dbraw/zinc/08/76/08/563087608.db2.gz	OBYYCKOMCLLSSD-UHFFFAOYSA-N	1	0	425.576	4.663	1	0		IJAFRO
COc1cccc(N2Cc3c(nc(C)c(C[NH3+])c3-c3ccc(Cl)cc3Cl)C2=O)c1	ZINC000034804618	563087879	/nfs/dbraw/zinc/08/78/79/563087879.db2.gz	SYMDFDAHENEOLS-UHFFFAOYSA-N	1	0	428.319	4.992	1	0		IJAFRO
COc1cc2c[n+]3c(c(Cc4ccccc4)c2cc1OC)-c1cc2c(cc1CC3)OCO2	ZINC000040393433	563100187	/nfs/dbraw/zinc/10/01/87/563100187.db2.gz	ZVUOPGCYOBGLAP-UHFFFAOYSA-N	1	0	426.492	4.687	1	0		IJAFRO
COc1cc2nc(NCCC[NH+]3CCCC3)nc(NC3CCCCCC3)c2cc1OC	ZINC000040835274	563107169	/nfs/dbraw/zinc/10/71/69/563107169.db2.gz	RWSDXGHFXHEFKF-UHFFFAOYSA-N	1	0	427.593	4.680	1	0		IJAFRO
CC1=C2C[C@H]3[C@@H](CC[C@@H]4CNC(=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C	ZINC000040935431	563112643	/nfs/dbraw/zinc/11/26/43/563112643.db2.gz	ADYVSNMICSBZKS-ZHWAPKMDSA-N	1	0	440.672	4.837	1	0		IJAFRO
c1ccc2c(c1)c1c(n2CCc2nnnn2CC[NH+]2CCCCC2)-c2ccccc2CCC1	ZINC000040943253	563113558	/nfs/dbraw/zinc/11/35/58/563113558.db2.gz	NRRDJHWVAWFJDP-UHFFFAOYSA-N	1	0	440.595	4.512	1	0		IJAFRO
CC[C@H](Cn1nc(C(F)(F)F)cc1C1CC[NH2+]CC1)OC(=O)Nc1ccc(F)cc1F	ZINC000042887332	563115940	/nfs/dbraw/zinc/11/59/40/563115940.db2.gz	ZDRIUJHZKHURJC-CQSZACIVSA-N	1	0	446.420	4.674	1	0		IJAFRO
Cc1cccc(CNc2nc(N[C@@H](Cc3ccccc3)C(=O)NC3CCCC3)cc(C)[nH+]2)c1	ZINC000045168860	563122681	/nfs/dbraw/zinc/12/26/81/563122681.db2.gz	SOXBDPAPSPUOSU-DEOSSOPVSA-N	1	0	443.595	4.788	1	0		IJAFRO
CCN(CC)c1ccc(C(=O)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)cc1	ZINC000045187252	563122925	/nfs/dbraw/zinc/12/29/25/563122925.db2.gz	AAMJYBIRUVXARB-UHFFFAOYSA-N	1	0	445.611	4.784	1	0		IJAFRO
C[NH+](C)CCN1CC[NH+](Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)CC1	ZINC000045194310	563124165	/nfs/dbraw/zinc/12/41/65/563124165.db2.gz	VXBOWEPWPSNMAW-UHFFFAOYSA-N	1	0	439.607	4.576	1	0		IJAFRO
O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3ncc[nH]3)CC2)c1)c1ccc2ccccc2c1	ZINC000045227232	563125511	/nfs/dbraw/zinc/12/55/11/563125511.db2.gz	XXZDZVUKZWVUJO-UHFFFAOYSA-N	1	0	439.563	4.523	1	0		IJAFRO
O=C1OC(c2ccccc2)(c2ccccc2)[C@@H]2C[N@H+](CCCc3ccc(F)cc3)CCN12	ZINC000045495733	563134359	/nfs/dbraw/zinc/13/43/59/563134359.db2.gz	ZOLYQIZVRHDUTB-VWLOTQADSA-N	1	0	430.523	4.839	1	0		IJAFRO
OC1(c2ccc(I)cc2)CC[NH+](Cc2cc3ccccc3o2)CC1	ZINC000053244180	563141603	/nfs/dbraw/zinc/14/16/03/563141603.db2.gz	SBRNDJDCLNCYMZ-UHFFFAOYSA-N	1	0	433.289	4.521	1	0		IJAFRO
COc1ccc(OCC[NH+]2CCC(C(=O)N[C@H](C)c3cccc4ccccc43)CC2)cc1	ZINC000061926325	563149904	/nfs/dbraw/zinc/14/99/04/563149904.db2.gz	WREPSSORDYVARY-HXUWFJFHSA-N	1	0	432.564	4.817	3	0		IJAFRO
Cc1ccc(F)cc1Oc1c(C(=O)N2CC[NH2+]CC2)c2cc(O)ccc2n1-c1ccccc1	ZINC000064527826	563154664	/nfs/dbraw/zinc/15/46/64/563154664.db2.gz	BRPMIYCKYBPRMN-UHFFFAOYSA-N	1	0	445.494	4.621	1	0		IJAFRO
CC(C)[NH+]1CCC(Oc2ccc3c(cc4n3CCN(Cc3ccccc3F)C4=O)c2)CC1	ZINC000064539700	563155103	/nfs/dbraw/zinc/15/51/03/563155103.db2.gz	RSBVKZRTPBAMAK-UHFFFAOYSA-N	1	0	435.543	4.688	1	0		IJAFRO
C[N@H+](CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1)Cc1ccccc1	ZINC000066259031	563160398	/nfs/dbraw/zinc/16/03/98/563160398.db2.gz	MGBCOVVRZAHNAM-UHFFFAOYSA-N	1	0	440.543	4.927	1	0		IJAFRO
O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2cccs2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1	ZINC000072138236	563164231	/nfs/dbraw/zinc/16/42/31/563164231.db2.gz	CWIDKNYRKVJIET-WXFUMESZSA-N	1	0	434.540	4.695	1	0		IJAFRO
O[C@H](CNCC[NH2+]C1CCCCC1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072178734	563166392	/nfs/dbraw/zinc/16/63/92/563166392.db2.gz	ONIHMPJPSQGAEI-QGZVFWFLSA-N	1	0	449.439	4.818	1	0		IJAFRO
C[C@@H](C[NH2+]C1CCCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072180010	563166736	/nfs/dbraw/zinc/16/67/36/563166736.db2.gz	VKFDIGARNLAZKL-SJCJKPOMSA-N	1	0	449.439	4.816	1	0		IJAFRO
CC(=O)N1CCc2ccc(OCCC[NH+]3CCC(c4ccc(Cl)cc4)CC3)cc2CC1	ZINC000073160046	563169407	/nfs/dbraw/zinc/16/94/07/563169407.db2.gz	KTYTYSRNCBIVNY-UHFFFAOYSA-N	1	0	441.015	4.936	1	0		IJAFRO
Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)[N@@H+]3CC[C@H](O)C3)cnc21	ZINC000084688167	563176023	/nfs/dbraw/zinc/17/60/23/563176023.db2.gz	JSVWEGWBBVUOER-MBSDFSHPSA-N	1	0	445.563	4.712	1	0		IJAFRO
C[NH+]1CCC(COCc2cc(C(F)(F)F)cc(N3CCCC3)n2)(c2ccccc2)CC1	ZINC000095586916	563189388	/nfs/dbraw/zinc/18/93/88/563189388.db2.gz	JOTAAZWGDRXATN-UHFFFAOYSA-N	1	0	433.518	4.881	1	0		IJAFRO
OC[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCC[N@H+]12	ZINC000095873882	563194700	/nfs/dbraw/zinc/19/47/00/563194700.db2.gz	UJWYROFULXWHSG-VABKMULXSA-N	1	0	436.493	4.670	1	0		IJAFRO
c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CC[NH2+]CC5)nc23)c(OCC2CC2)c1	ZINC000096169805	563195460	/nfs/dbraw/zinc/19/54/60/563195460.db2.gz	PONROPLFVXZHNI-UHFFFAOYSA-N	1	0	425.536	4.617	1	0		IJAFRO
CCn1c2ccccc2n([C@@H]2CC[N@H+](C[C@H]3CCCCC34CCCCC4)C[C@H]2CO)c1=O	ZINC000096903258	563197538	/nfs/dbraw/zinc/19/75/38/563197538.db2.gz	ATHMSYOHILKESV-YTFSRNRJSA-N	1	0	439.644	4.819	1	0		IJAFRO
COc1cc2c(cc1OCC[NH+]1CCCCC1)N(C(=O)/C=C/c1ccccc1Cl)CC2	ZINC000000594257	562918371	/nfs/dbraw/zinc/91/83/71/562918371.db2.gz	GDOLOCNGBVYKEO-MDZDMXLPSA-N	1	0	440.971	4.816	1	0		IJAFRO
C[C@@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2csc3cc(F)ccc32)CC1	ZINC000003793084	562938050	/nfs/dbraw/zinc/93/80/50/562938050.db2.gz	IWOQWCKSTOAOMQ-INIZCTEOSA-N	1	0	435.634	4.643	1	0		IJAFRO
O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4cccc(O)c4[C@@]2(CC[N@H+]3CC2CC2)C1	ZINC000003960040	562940118	/nfs/dbraw/zinc/94/01/18/562940118.db2.gz	IWZLUXJMEHSPFL-CRXYYGHGSA-N	1	0	445.603	4.812	1	0		IJAFRO
CN1Cc2ccc(NS(C)(=O)=O)cc2[C@H](c2ccccc2)[NH+]=C1CCc1ccccc1	ZINC000006013434	562945779	/nfs/dbraw/zinc/94/57/79/562945779.db2.gz	NLCTZOGQDAXJMI-VWLOTQADSA-N	1	0	433.577	4.624	1	0		IJAFRO
COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(C=Cc3cn(C)c4ccc(Cl)cc34)n[nH]2)C1	ZINC000009132714	562967702	/nfs/dbraw/zinc/96/77/02/562967702.db2.gz	SITXHAVZQRLLMP-IKUNXGLASA-N	1	0	426.948	4.547	1	0		IJAFRO
Cn1nc(-c2ccccc2F)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)sc21	ZINC000009693085	562975612	/nfs/dbraw/zinc/97/56/12/562975612.db2.gz	BYDRZKXHVILNEA-UHFFFAOYSA-N	1	0	448.567	4.835	1	0		IJAFRO
O=C(COc1cc(Cl)cc(Cl)c1)N(Cc1cccc(Cl)c1)C1CC[NH2+]CC1	ZINC000013437330	562986052	/nfs/dbraw/zinc/98/60/52/562986052.db2.gz	YARGTUMTNIPBSX-UHFFFAOYSA-N	1	0	427.759	4.806	1	0		IJAFRO
CCc1[nH+]c(N)nc(N)c1Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	ZINC000013472737	562988003	/nfs/dbraw/zinc/98/80/03/562988003.db2.gz	GQKDSOZCAWADSW-UHFFFAOYSA-N	1	0	440.547	4.952	1	0		IJAFRO
CO[C@@]12CCC(=O)C[C@@]13CC[N@H+](CC1CC1)[C@@H]2Cc1cccc(OCc2ccccc2)c13	ZINC000013580316	562994504	/nfs/dbraw/zinc/99/45/04/562994504.db2.gz	KAAZUTVTPBFNBZ-BIYCFNCWSA-N	1	0	431.576	4.682	1	0		IJAFRO
CC(=O)c1cccc(N2CC[NH+](CCCCCC(=O)N[C@H]3CCCc4ccccc43)CC2)c1	ZINC000013586560	562995437	/nfs/dbraw/zinc/99/54/37/562995437.db2.gz	FRXNQPUFVQPPJY-MHZLTWQESA-N	1	0	447.623	4.765	1	0		IJAFRO
C[C@@H]1CCCC[N@@H+]1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1	ZINC000013589391	562996397	/nfs/dbraw/zinc/99/63/97/562996397.db2.gz	AWAROEZGWJEDHM-HXUWFJFHSA-N	1	0	432.564	4.989	1	0		IJAFRO
COc1ccc(CCCC[NH2+]CCOc2cc(F)cc3c2OCCC3=O)c2ccccc12	ZINC000013780405	563006416	/nfs/dbraw/zinc/00/64/16/563006416.db2.gz	ADQOQGKIFXKTKW-UHFFFAOYSA-N	1	0	437.511	4.944	1	0		IJAFRO
CC(=O)Nc1ccc(SC[C@H](c2ccccc2)N2CC[N@@H+](CC(C)C)CCC2=O)cc1	ZINC000013830516	563011046	/nfs/dbraw/zinc/01/10/46/563011046.db2.gz	MWLHYYKIIIVAQR-XMMPIXPASA-N	1	0	439.625	4.669	1	0		IJAFRO
CCNC(=O)c1noc(-c2cc(CC)c(O)cc2O)c1-c1ccc(C[NH+](CC)CC)cc1	ZINC000014974895	563016787	/nfs/dbraw/zinc/01/67/87/563016787.db2.gz	LALDVGOZMSLLOR-UHFFFAOYSA-N	1	0	437.540	4.574	1	0		IJAFRO
COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1	ZINC000022924572	563025773	/nfs/dbraw/zinc/02/57/73/563025773.db2.gz	AWMYFVQONDTWPK-FQEVSTJZSA-N	1	0	442.625	4.539	1	0		IJAFRO
O=C(NCCc1ccc(F)cc1)Nc1ccccc1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000022925905	563025976	/nfs/dbraw/zinc/02/59/76/563025976.db2.gz	MOMUBAOCDLVZRF-UHFFFAOYSA-N	1	0	446.570	4.508	1	0		IJAFRO
O[C@@H](CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1	ZINC000022927602	563026209	/nfs/dbraw/zinc/02/62/09/563026209.db2.gz	HSPNIXQCMSLFQK-MHZLTWQESA-N	1	0	448.582	4.673	1	0		IJAFRO
Oc1ccccc1CCC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1	ZINC000022939411	563026725	/nfs/dbraw/zinc/02/67/25/563026725.db2.gz	PAAMYZUEZPKVNY-UHFFFAOYSA-N	1	0	430.592	4.749	1	0		IJAFRO
CC(C)NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CC[NH+](C(C)C)CC1	ZINC000022941810	563026987	/nfs/dbraw/zinc/02/69/87/563026987.db2.gz	GIYPKHZBUPLPHG-UHFFFAOYSA-N	1	0	430.596	4.566	1	0		IJAFRO
C[C@@](O)(CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1	ZINC000023360858	563027041	/nfs/dbraw/zinc/02/70/41/563027041.db2.gz	RMWQLXLFYHDPRH-GDLZYMKVSA-N	1	0	444.619	4.708	1	0		IJAFRO
C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H](O)COc1ccc(CCOCC2CCC2)cc1	ZINC000025967458	563027800	/nfs/dbraw/zinc/02/78/00/563027800.db2.gz	CGLAXSYMFVYKRL-CPJSRVTESA-N	1	0	429.576	4.536	1	0		IJAFRO
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3C[C@H]3C[NH+](C)C)sc2c1	ZINC000026283115	563030735	/nfs/dbraw/zinc/03/07/35/563030735.db2.gz	SOGUXRRGKRATRL-GJZGRUSLSA-N	1	0	442.972	4.647	1	0		IJAFRO
COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(C=Cc3cn(C)c4ccc(Cl)cc34)n[nH]2)C1	ZINC000026720386	563035624	/nfs/dbraw/zinc/03/56/24/563035624.db2.gz	SITXHAVZQRLLMP-UCSQHBGMSA-N	1	0	426.948	4.547	1	0		IJAFRO
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCCC[NH3+])CC[C@@]43C)[C@]13O[C@@H]3C[C@@H]2C1=CC(=O)OC1	ZINC000027524147	563042973	/nfs/dbraw/zinc/04/29/73/563042973.db2.gz	BUIYHKBZAZQCCC-AHBNOPRMSA-N	1	0	445.669	4.710	1	0		IJAFRO
C[NH+](C)Cc1ccc(CSCCNc2ncc(Cc3ccc4ccccc4c3)c(=O)[nH]2)o1	ZINC000027525157	563043162	/nfs/dbraw/zinc/04/31/62/563043162.db2.gz	UWWCRSMIORHGLM-UHFFFAOYSA-N	1	0	448.592	4.514	1	0		IJAFRO
Cc1sc2nc(SCCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)[nH]c(=O)c2c1C	ZINC000027656058	563045313	/nfs/dbraw/zinc/04/53/13/563045313.db2.gz	PPLMABRBXWDBND-UHFFFAOYSA-N	1	0	449.045	4.559	1	0		IJAFRO
COc1cc2onc(C3CC[NH+](CCCc4noc5cc(F)ccc45)CC3)c2cc1OC	ZINC000027862925	563047572	/nfs/dbraw/zinc/04/75/72/563047572.db2.gz	CHGICNPXAGSWDS-UHFFFAOYSA-N	1	0	439.487	4.938	1	0		IJAFRO
CCC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC	ZINC000027978868	563048439	/nfs/dbraw/zinc/04/84/39/563048439.db2.gz	FPHFICIJDHPAHE-OALUTQOASA-N	1	0	429.992	4.668	1	0		IJAFRO
COc1ccccc1CC1CC[NH+](C2CCC3(CC2)OC(=O)c2c3ccc3c2OCO3)CC1	ZINC000028378040	563053957	/nfs/dbraw/zinc/05/39/57/563053957.db2.gz	OISJUQQAFJULQA-UHFFFAOYSA-N	1	0	449.547	4.687	1	0		IJAFRO
O=C(NCCC[NH2+]Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1	ZINC000028396092	563054589	/nfs/dbraw/zinc/05/45/89/563054589.db2.gz	KSMHECINVNJLPK-UHFFFAOYSA-N	1	0	435.368	4.905	1	0		IJAFRO
COC(=O)c1ccc(NC(=O)c2sc3cc(C(=[NH2+])NC(C)C)ccc3c2Cl)cc1	ZINC000028469074	563055441	/nfs/dbraw/zinc/05/54/41/563055441.db2.gz	KQWAPNANMJQRGO-UHFFFAOYSA-N	1	0	429.929	4.917	1	0		IJAFRO
O=C(Nc1ccccc1NC(=O)[C@@H]1C=CCCC1)OCC1CCN(c2cc[nH+]cc2)CC1	ZINC000028525735	563056743	/nfs/dbraw/zinc/05/67/43/563056743.db2.gz	OBOLHOQXDXDZIH-HXUWFJFHSA-N	1	0	434.540	4.842	1	0		IJAFRO
COc1ccc(CCC[NH+](C)C)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc21	ZINC000028565931	563058200	/nfs/dbraw/zinc/05/82/00/563058200.db2.gz	WJEQSSCWDGFIAL-UHFFFAOYSA-N	1	0	438.482	4.545	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2c(cccc2OC)C1	ZINC000028767008	563064227	/nfs/dbraw/zinc/06/42/27/563064227.db2.gz	HJJWUVFFECFTCW-OAQYLSRUSA-N	1	0	441.568	4.529	1	0		IJAFRO
CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CCC[NH2+]CCF)c1ccccc1	ZINC000028818867	563065008	/nfs/dbraw/zinc/06/50/08/563065008.db2.gz	RGJXIECIHGHVSN-DEOSSOPVSA-N	1	0	431.502	4.580	1	0		IJAFRO
CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CC[C@@H]([NH3+])C(F)F)c1ccccc1	ZINC000028827243	563066703	/nfs/dbraw/zinc/06/67/03/563066703.db2.gz	RZPQYTXPEIHPIJ-OFNKIYASSA-N	1	0	435.465	4.614	1	0		IJAFRO
Cc1c(=O)c2cc(OCCC/C=C/C[NH+]3CCC(O)CC3)ccc2oc1-c1ccccc1	ZINC000029328844	563078087	/nfs/dbraw/zinc/07/80/87/563078087.db2.gz	CKLFEYSBTIDHIS-FARCUNLSSA-N	1	0	433.548	4.940	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@H]1C[C@H](c2ccccc2)c2ccccc2C1=O	ZINC000029390542	563078931	/nfs/dbraw/zinc/07/89/31/563078931.db2.gz	UZPNDQMXOWZSMG-NFBKMPQASA-N	1	0	431.532	4.707	1	0		IJAFRO
O[C@@H](C[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1	ZINC000029565466	563082574	/nfs/dbraw/zinc/08/25/74/563082574.db2.gz	JUSLZUMPUANAGS-SANMLTNESA-N	1	0	444.554	4.834	1	0		IJAFRO
Cc1cc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nnc2cc1-c1cccc(O)c1	ZINC000035861734	563090148	/nfs/dbraw/zinc/09/01/48/563090148.db2.gz	OUHRROUUMISCGY-UHFFFAOYSA-N	1	0	441.535	4.924	1	0		IJAFRO
Cc1sc(C(=O)CCc2cc(C)c(OC[C@H](O)C[NH3+])c(C)c2)c2c1CC(C)(C)CC2	ZINC000036478064	563095554	/nfs/dbraw/zinc/09/55/54/563095554.db2.gz	CGCHAJLAELEKCS-LJQANCHMSA-N	1	0	429.626	4.702	1	0		IJAFRO
COc1ccc(CN2CC[NH+]([C@@H](c3ccccc3)[C@H](O)c3ccc(Cl)cc3)CC2)cc1	ZINC000039238986	563098898	/nfs/dbraw/zinc/09/88/98/563098898.db2.gz	WUGJVBVRYOODFP-IZZNHLLZSA-N	1	0	436.983	4.941	1	0		IJAFRO
CC(C)c1ccc(-c2ccc(CCOc3ccc(NC(=O)[C@@](C)([NH3+])CO)cc3)cc2)cc1	ZINC000040404674	563101153	/nfs/dbraw/zinc/10/11/53/563101153.db2.gz	DWJIDNRPFHFQFH-MHZLTWQESA-N	1	0	432.564	4.747	1	0		IJAFRO
CCC[N@H+](CCCCNC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1	ZINC000040423298	563102543	/nfs/dbraw/zinc/10/25/43/563102543.db2.gz	ZIWNVFRTTBQUSJ-NRFANRHFSA-N	1	0	436.625	4.658	1	0		IJAFRO
CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C[C@@H]2CCCC[NH2+]2)cc1	ZINC000040423924	563102826	/nfs/dbraw/zinc/10/28/26/563102826.db2.gz	JOXLFIXMIHXCKT-QFIPXVFZSA-N	1	0	448.611	4.650	1	0		IJAFRO
C[NH+]1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1	ZINC000040430038	563103398	/nfs/dbraw/zinc/10/33/98/563103398.db2.gz	KCQJZOJGRGXWCV-UHFFFAOYSA-N	1	0	439.350	4.541	1	0	in-vitro	IJAFRO
CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC[NH2+]CC2)cc1	ZINC000040895703	563110391	/nfs/dbraw/zinc/11/03/91/563110391.db2.gz	MNEIHVZSHOPLCE-UHFFFAOYSA-N	1	0	448.611	4.507	1	0		IJAFRO
CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(Br)cc4)[nH+]c3c2)ccn1	ZINC000040913429	563111088	/nfs/dbraw/zinc/11/10/88/563111088.db2.gz	PMAGHRSQJVNSPS-UHFFFAOYSA-N	1	0	438.285	4.616	1	0		IJAFRO
Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2CCC3(CCC[NH2+]3)CC2)cc1	ZINC000040917135	563111511	/nfs/dbraw/zinc/11/15/11/563111511.db2.gz	LZBKXQAVFZXXKI-UHFFFAOYSA-N	1	0	440.591	4.906	1	0		IJAFRO
CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)CCC[N@@H+](C)C2	ZINC000045228080	563125598	/nfs/dbraw/zinc/12/55/98/563125598.db2.gz	CYAPOTVSLHPRAV-YRNVUSSQSA-N	1	0	429.358	4.878	1	0		IJAFRO
CCCc1cc(=O)oc2c1c1c(c3c2C(=O)C[C@H](C[NH+]2CCCCC2)O3)C=CC(C)(C)O1	ZINC000045315298	563129771	/nfs/dbraw/zinc/12/97/71/563129771.db2.gz	SYEAIRZPSIFDMY-QGZVFWFLSA-N	1	0	437.536	4.749	1	0		IJAFRO
CCCC[NH+](CCCC)C[C@@]1(COCC)COc2ccc3c(C)cc(=O)oc3c2C1=O	ZINC000049036042	563136355	/nfs/dbraw/zinc/13/63/55/563136355.db2.gz	YMMFNQLXLSJQPK-RUZDIDTESA-N	1	0	429.557	4.602	1	0		IJAFRO
O[C@H]1C[N@H+](Cc2cccs2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1	ZINC000061923868	563149660	/nfs/dbraw/zinc/14/96/60/563149660.db2.gz	GKOCBPKFAWMLBJ-SGNDLWITSA-N	1	0	434.540	4.695	3	0		IJAFRO
CC[NH+](CC)[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21	ZINC000064416990	563152878	/nfs/dbraw/zinc/15/28/78/563152878.db2.gz	VQGXMNOHPAXMIN-SFHVURJKSA-N	1	0	429.582	4.791	1	0		IJAFRO
O=C(CCC[N@@H+]1CCc2cc(OCc3ccccc3)ccc2[C@@H](O)C1)c1ccc(F)cc1	ZINC000064548538	563155429	/nfs/dbraw/zinc/15/54/29/563155429.db2.gz	OZBIBLBGKRCAHD-MHZLTWQESA-N	1	0	433.523	4.959	1	0		IJAFRO
COc1ccc(C(=O)CCC[N@@H+]2CCc3cc(OCc4ccccc4)ccc3[C@H](O)C2)cc1	ZINC000064560088	563156204	/nfs/dbraw/zinc/15/62/04/563156204.db2.gz	OYLYZHZQJGNNIP-MUUNZHRXSA-N	1	0	445.559	4.829	1	0		IJAFRO
CC(C)(C)OC(=O)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072102819	563162781	/nfs/dbraw/zinc/16/27/81/563162781.db2.gz	VPCYMUXBYLZXEB-IBGZPJMESA-N	1	0	436.478	4.574	1	0		IJAFRO
CC(C)(C)NC(=O)N1CCC([NH2+][C@@H](c2cncs2)c2ccc(C(F)(F)F)cc2)CC1	ZINC000072103888	563162866	/nfs/dbraw/zinc/16/28/66/563162866.db2.gz	RWLCLXAQTRDYMN-GOSISDBHSA-N	1	0	440.535	4.813	1	0		IJAFRO
COc1cc(C2CC[NH2+]CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn32)n1	ZINC000072177099	563165853	/nfs/dbraw/zinc/16/58/53/563165853.db2.gz	GOPIWDNWGISYQK-UHFFFAOYSA-N	1	0	434.931	4.664	1	0		IJAFRO
O=C(c1ccccc1)N1CC(C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1	ZINC000072185459	563168059	/nfs/dbraw/zinc/16/80/59/563168059.db2.gz	MGJUBFNMMRKDFP-QFIPXVFZSA-N	1	0	425.454	4.552	1	0		IJAFRO
CC(=O)N1CCc2ccc(C(=O)CCC[NH+]3CCC(c4ccc(F)cc4)CC3)cc2CC1	ZINC000073160446	563169393	/nfs/dbraw/zinc/16/93/93/563169393.db2.gz	XOZSSSAXGYJLQP-UHFFFAOYSA-N	1	0	436.571	4.615	1	0		IJAFRO
CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCOc2cccc(-c3ccccc3)c2)C1	ZINC000095573157	563184965	/nfs/dbraw/zinc/18/49/65/563184965.db2.gz	NQDBGYUMMABVHZ-HSZRJFAPSA-N	1	0	430.548	4.635	1	0		IJAFRO
O=C(N[C@H]1CC[N@H+](CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1	ZINC000095577818	563186471	/nfs/dbraw/zinc/18/64/71/563186471.db2.gz	LYYTTXCSEIAHQX-QHCPKHFHSA-N	1	0	437.543	4.785	1	0		IJAFRO
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cc(C(F)(F)F)c2)CCSC(=[NH2+])N1	ZINC000096174351	563196070	/nfs/dbraw/zinc/19/60/70/563196070.db2.gz	GNNHKGDBVCAJCK-QGZVFWFLSA-N	1	0	428.867	4.673	1	0		IJAFRO
CC[NH2+]Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1	ZINC000003828082	562938997	/nfs/dbraw/zinc/93/89/97/562938997.db2.gz	FUSNKWRBHQIYAO-ACCUITESSA-N	1	0	434.902	4.853	1	0		IJAFRO
COc1ccc(CNc2nc(-c3ccccc3C[NH+](C)C)nc3ccccc32)c(OC)c1	ZINC000004267199	562942929	/nfs/dbraw/zinc/94/29/29/562942929.db2.gz	ZJQQLWSTQJUERH-UHFFFAOYSA-N	1	0	428.536	4.988	1	0		IJAFRO
CN(C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1	ZINC000006010254	562945751	/nfs/dbraw/zinc/94/57/51/562945751.db2.gz	SHOSXOJPKBDSIE-CCDWMCETSA-N	1	0	449.595	4.520	1	0		IJAFRO
Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCc2cccs2)CC1	ZINC000008801953	562964322	/nfs/dbraw/zinc/96/43/22/562964322.db2.gz	JWFGVJBFSHPZFJ-UHFFFAOYSA-N	1	0	429.973	4.893	3	0		IJAFRO
O=C(Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1	ZINC000009265325	562968697	/nfs/dbraw/zinc/96/86/97/562968697.db2.gz	RNUFEVAXPLVMNF-UHFFFAOYSA-N	1	0	449.526	4.915	3	0		IJAFRO
O=C(Nc1ccncc1)C1CC[NH+]([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1	ZINC000011524329	562978784	/nfs/dbraw/zinc/97/87/84/562978784.db2.gz	QHEDKNPREJQXOG-DEOSSOPVSA-N	1	0	432.955	4.669	1	0		IJAFRO
COc1ccc(-c2cc(CCCC[NH+]3CCN(c4ccccc4C)CC3)on2)cc1OC	ZINC000013441291	562986356	/nfs/dbraw/zinc/98/63/56/562986356.db2.gz	QRBZSMMRXSQZLL-UHFFFAOYSA-N	1	0	435.568	4.812	1	0		IJAFRO
COc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1	ZINC000013443595	562986625	/nfs/dbraw/zinc/98/66/25/562986625.db2.gz	KAGQMZHDWWRBEU-HSZRJFAPSA-N	1	0	425.548	4.785	1	0		IJAFRO
C[NH+]=C1Nc2ccc(N(C)Cc3ccc(S(=O)(=O)c4ccccc4)cc3)c3cccc1c23	ZINC000013450129	562987247	/nfs/dbraw/zinc/98/72/47/562987247.db2.gz	AROWYQMYMDLSEJ-UHFFFAOYSA-N	1	0	441.556	4.920	1	0		IJAFRO
O=c1cc(-c2cccs2)oc2ccc(OCCCCCC[NH+]3CCC(O)CC3)cc12	ZINC000013454414	562987604	/nfs/dbraw/zinc/98/76/04/562987604.db2.gz	IYZKNKNHPCKKSN-UHFFFAOYSA-N	1	0	427.566	4.917	1	0		IJAFRO
C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc12	ZINC000013607564	562997487	/nfs/dbraw/zinc/99/74/87/562997487.db2.gz	ZVQLQRWNPNZTMX-QGZVFWFLSA-N	1	0	437.487	4.624	1	0		IJAFRO
CC[NH+](CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2ccc(=O)oc21	ZINC000013659958	562999446	/nfs/dbraw/zinc/99/94/46/562999446.db2.gz	JBCNNTTYIKOGES-FQEVSTJZSA-N	1	0	438.568	4.740	3	0		IJAFRO
Cc1ccc2c(C3CC[NH+](CCNC(=O)NC(C)C)CC3)cn(-c3ccc(F)cc3)c2c1	ZINC000013731213	563001758	/nfs/dbraw/zinc/00/17/58/563001758.db2.gz	VINVVWQQTYVRCW-UHFFFAOYSA-N	1	0	436.575	4.965	1	0		IJAFRO
Cc1sc2nc(SCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)[nH]c(=O)c2c1C	ZINC000013761016	563004997	/nfs/dbraw/zinc/00/49/97/563004997.db2.gz	KZYXGRFDHNOBNQ-UHFFFAOYSA-N	1	0	449.045	4.559	1	0		IJAFRO
CCCOc1cccc(N2CC[NH+](CCCN3C(=O)CCc4c(Cl)cccc43)CC2)c1	ZINC000013803886	563008207	/nfs/dbraw/zinc/00/82/07/563008207.db2.gz	BUECEZVRRWNRCU-UHFFFAOYSA-N	1	0	442.003	4.620	1	0		IJAFRO
O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21	ZINC000013820035	563009946	/nfs/dbraw/zinc/00/99/46/563009946.db2.gz	OKTKMRUJAFTWOW-VBANMALSSA-N	1	0	449.664	4.968	1	0		IJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)c3)cc12	ZINC000014961724	563016200	/nfs/dbraw/zinc/01/62/00/563016200.db2.gz	XVMKVOQYCQRNAX-IBGZPJMESA-N	1	0	426.442	4.901	1	0		IJAFRO
COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1	ZINC000022924568	563025796	/nfs/dbraw/zinc/02/57/96/563025796.db2.gz	AWMYFVQONDTWPK-HXUWFJFHSA-N	1	0	442.625	4.539	1	0		IJAFRO
Oc1ccc(CCC[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000022939423	563026670	/nfs/dbraw/zinc/02/66/70/563026670.db2.gz	RJIJZYPZGVMUQS-UHFFFAOYSA-N	1	0	430.592	4.749	1	0		IJAFRO
CN1Cc2ccccc2[C@@H](c2ccc(NS(C)(=O)=O)cc2)[NH+]=C1CCc1ccccc1	ZINC000026573365	563033434	/nfs/dbraw/zinc/03/34/34/563033434.db2.gz	GATXNNKIKPRGOA-RUZDIDTESA-N	1	0	433.577	4.624	1	0		IJAFRO
C[C@H]([C@H]1CN(c2ccccc2)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)[NH+]1CCCC1	ZINC000026720536	563035651	/nfs/dbraw/zinc/03/56/51/563035651.db2.gz	OYRXYIUNONBFEX-WZONZLPQSA-N	1	0	446.422	4.738	1	0		IJAFRO
CC(C)[NH2+]C[C@H](O)COc1ccc2c(c1)oc(Cc1ccccc1)c(-c1ccccc1)c2=O	ZINC000027103077	563039794	/nfs/dbraw/zinc/03/97/94/563039794.db2.gz	WFKOLKQGJDPGNN-QFIPXVFZSA-N	1	0	443.543	4.789	1	0		IJAFRO
CC(=O)OC[C@H]1C[C@H]2CCCC[C@@H]2[C@@H](/C=C/[C@H]2CCC[C@H](C)[N@@H+]2C)[C@H]1[C@H](C)OC(C)=O	ZINC000027728014	563046107	/nfs/dbraw/zinc/04/61/07/563046107.db2.gz	BSVCBQHCZRIFBJ-GQNHTAFJSA-N	1	0	433.633	4.989	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3cccc(Cl)c3)CC1)OCCC2	ZINC000027731165	563046245	/nfs/dbraw/zinc/04/62/45/563046245.db2.gz	MKYIRYPTDJPVTG-JOCHJYFZSA-N	1	0	430.976	4.573	1	0		IJAFRO
Cc1c(Cl)cccc1N1CC[NH+](CCCCOc2ccc3c(c2)NC(=O)CC3)CC1	ZINC000027734303	563046343	/nfs/dbraw/zinc/04/63/43/563046343.db2.gz	HKXCLZBIPMTRSJ-UHFFFAOYSA-N	1	0	427.976	4.514	1	0		IJAFRO
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cc(O)ccc2CC[C@@H]1[NH+]1CCCC1	ZINC000027854356	563047382	/nfs/dbraw/zinc/04/73/82/563047382.db2.gz	SQQRVKKUBHBTDU-GMAHTHKFSA-N	1	0	433.379	4.852	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@](C)(CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)OCC2	ZINC000027881170	563047850	/nfs/dbraw/zinc/04/78/50/563047850.db2.gz	OVEHSQDXFAXZRV-RUZDIDTESA-N	1	0	445.003	4.748	1	0		IJAFRO
COc1cc2c(cc1OC)[C@](C)(CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)OCC2	ZINC000027881164	563047874	/nfs/dbraw/zinc/04/78/74/563047874.db2.gz	OVEHSQDXFAXZRV-VWLOTQADSA-N	1	0	445.003	4.748	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3ccccc3Cl)CC1)OC(C)(C)C2	ZINC000027899536	563048245	/nfs/dbraw/zinc/04/82/45/563048245.db2.gz	PZXSFKLOZVYDCW-JOCHJYFZSA-N	1	0	445.003	4.962	1	0		IJAFRO
COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3ccccc3Cl)CC1)OC(C)(C)C2	ZINC000027899531	563048277	/nfs/dbraw/zinc/04/82/77/563048277.db2.gz	PZXSFKLOZVYDCW-QFIPXVFZSA-N	1	0	445.003	4.962	1	0		IJAFRO
CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccc(S(N)(=O)=O)cc1	ZINC000027997104	563049194	/nfs/dbraw/zinc/04/91/94/563049194.db2.gz	ZMLRSIZNHCMGPD-UHFFFAOYSA-N	1	0	429.565	4.566	1	0		IJAFRO
COc1ccc2nccc([C@H]3CN(CCC[N@H+](C)Cc4cc5ccccc5[nH]4)C(=O)O3)c2c1	ZINC000028892369	563068463	/nfs/dbraw/zinc/06/84/63/563068463.db2.gz	AEAOMQAWGDKZCV-RUZDIDTESA-N	1	0	444.535	4.740	1	0		IJAFRO
[NH3+][C@@H](COCc1cccc(I)c1)C(c1ccccc1)c1ccccc1	ZINC000029551667	563081919	/nfs/dbraw/zinc/08/19/19/563081919.db2.gz	HDRZMSGUAKJYEE-NRFANRHFSA-N	1	0	443.328	4.967	1	0		IJAFRO
Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCc3ccccn3)CC2)cc1	ZINC000029564039	563082491	/nfs/dbraw/zinc/08/24/91/563082491.db2.gz	NPSCMXULOBAGPB-UHFFFAOYSA-N	1	0	429.543	4.738	1	0		IJAFRO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC1)c1ccccc1	ZINC000032024857	563083997	/nfs/dbraw/zinc/08/39/97/563083997.db2.gz	XRINECGRTXQARS-NPZNXQLHSA-N	1	0	449.643	4.926	1	0		IJAFRO
COc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1	ZINC000036241935	563092298	/nfs/dbraw/zinc/09/22/98/563092298.db2.gz	LYGHVOBUJSJSHS-UHFFFAOYSA-N	1	0	430.556	4.570	1	0		IJAFRO
CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@@H]1c1ccccc1C(F)(F)F)CCCC3	ZINC000040952163	563114109	/nfs/dbraw/zinc/11/41/09/563114109.db2.gz	YPJRDGRZUYIHEH-GOSISDBHSA-N	1	0	431.458	4.956	1	0		IJAFRO
CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1	ZINC000040956607	563114762	/nfs/dbraw/zinc/11/47/62/563114762.db2.gz	BBCHXERJCYULCI-VGSWGCGISA-N	1	0	431.983	4.662	1	0		IJAFRO
C[NH+]1CCC(COCc2cc(C(F)(F)F)cc(N3CC=CC3)n2)(c2ccc(F)cc2)CC1	ZINC000043178341	563119247	/nfs/dbraw/zinc/11/92/47/563119247.db2.gz	QXVKDIRFPUDMDU-UHFFFAOYSA-N	1	0	449.492	4.796	1	0		IJAFRO
COCCCNC(=O)C1CC[NH+](C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1	ZINC000045168647	563122660	/nfs/dbraw/zinc/12/26/60/563122660.db2.gz	IUDPDMVHBMNEEZ-UHFFFAOYSA-N	1	0	435.395	4.948	1	0		IJAFRO
Cc1cc(N[C@@H](CC(C)C)C(=O)NCc2cccs2)nc(NCCc2cccs2)[nH+]1	ZINC000045168346	563122583	/nfs/dbraw/zinc/12/25/83/563122583.db2.gz	JCUYXQKVGOKRET-IBGZPJMESA-N	1	0	443.642	4.706	1	0		IJAFRO
COc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(N(C)C)cc3)s2)CC1	ZINC000045227489	563125543	/nfs/dbraw/zinc/12/55/43/563125543.db2.gz	BDWMOOYWLLMMPT-UHFFFAOYSA-N	1	0	449.620	4.884	1	0		IJAFRO
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](C2CC2)C(=O)N3)c1)Cc1c[nH]c2ccccc12	ZINC000045284505	563127981	/nfs/dbraw/zinc/12/79/81/563127981.db2.gz	JHQZSPAWMMVUEC-RXFWQSSRSA-N	1	0	438.531	4.624	1	0		IJAFRO
O=C(Nc1ccc2c(c1)CCN2[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1)c1ccco1	ZINC000045334730	563131191	/nfs/dbraw/zinc/13/11/91/563131191.db2.gz	APKKFFOZTGMWRQ-QFIPXVFZSA-N	1	0	426.520	4.650	1	0		IJAFRO
[NH3+]CCCCCNc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2cccc(F)c2)n1	ZINC000045372756	563133537	/nfs/dbraw/zinc/13/35/37/563133537.db2.gz	UHKPXXXXJLGWRZ-UHFFFAOYSA-N	1	0	434.441	4.981	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CCN(c3ccc(Cl)cc3)CC2)o1	ZINC000053294123	563141756	/nfs/dbraw/zinc/14/17/56/563141756.db2.gz	XUWUAOXMYAHJHF-UHFFFAOYSA-N	1	0	439.003	4.859	1	0		IJAFRO
CC[C@@H](C)N(c1cccc(N2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000058649644	563145915	/nfs/dbraw/zinc/14/59/15/563145915.db2.gz	REEWPGMYPPBRBX-HXUWFJFHSA-N	1	0	437.609	4.585	1	0		IJAFRO
CC(=O)Nc1cc(-c2ccccc2C[NH+](C)C)cn2c(-c3ccc(C(C)=O)cc3)cnc12	ZINC000061906518	563148560	/nfs/dbraw/zinc/14/85/60/563148560.db2.gz	QOOBTIMCOPSCES-UHFFFAOYSA-N	1	0	426.520	4.891	3	0		IJAFRO
CCC[C@@H]1C[C@@H](C(=O)NCc2cccc(C)n2)C[N@H+](Cc2nc(-c3ccccc3)oc2C)C1	ZINC000071334187	563162570	/nfs/dbraw/zinc/16/25/70/563162570.db2.gz	UVLQDJOVQCAPSE-FYYLOGMGSA-N	1	0	446.595	4.908	1	0		IJAFRO
CC(C)(C)C(=O)N1CCC([NH2+][C@H](c2cncs2)c2ccc(C(F)(F)F)cc2)CC1	ZINC000072184685	563167878	/nfs/dbraw/zinc/16/78/78/563167878.db2.gz	VUIOIFSGKXBSHR-SFHVURJKSA-N	1	0	425.520	4.878	1	0		IJAFRO
CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@]23Cc4ccc(O)cc4[C@]2(CC[N@H+](CC2CC2)C3)C1	ZINC000084617968	563174473	/nfs/dbraw/zinc/17/44/73/563174473.db2.gz	MLGNFOAOQAXJRD-QROFGXAPSA-N	1	0	446.591	4.606	1	0		IJAFRO
[NH3+][C@@H]1CCc2ccc(OCCNC(=O)CC3CC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000088260735	563180103	/nfs/dbraw/zinc/18/01/03/563180103.db2.gz	QAZDEMPMURASQS-NZQKXSOJSA-N	1	0	447.406	4.888	1	0		IJAFRO
Cc1[nH+]c2ccccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C	ZINC000095555846	563181419	/nfs/dbraw/zinc/18/14/19/563181419.db2.gz	RGAVJFDTYUBJAZ-UHFFFAOYSA-N	1	0	429.564	4.888	1	0		IJAFRO
[NH2+]=C1N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)(F)F)c2)c2ccccc21	ZINC000095572761	563184861	/nfs/dbraw/zinc/18/48/61/563184861.db2.gz	JLXRYBDDOAPKHW-QHCPKHFHSA-N	1	0	431.421	4.568	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1	ZINC000028711415	581096170	/nfs/dbraw/zinc/09/61/70/581096170.db2.gz	LNFJZMYMJHIQPZ-UHFFFAOYSA-N	1	0	442.563	4.601	1	0		IJAFRO
CC1=C2C[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@]34C)[C@]2(C)CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C	ZINC000070454879	291388398	/nfs/dbraw/zinc/38/83/98/291388398.db2.gz	ZPQMEFMZMSDTFM-VQGLDWJNSA-N	1	0	441.656	4.651	1	0	biogenic,in-vitro	IJAFRO
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cccc(O)c2CC[C@@H]1[NH+]1CCCC1	ZINC000000607375	562918761	/nfs/dbraw/zinc/91/87/61/562918761.db2.gz	ZGIVNFOUXRBYGI-REWPJTCUSA-N	1	0	433.379	4.852	1	0		IJAFRO
O=C(c1cccnc1)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1	ZINC000006579200	562948112	/nfs/dbraw/zinc/94/81/12/562948112.db2.gz	CFLAMLZFZMSEKG-RRPNLBNLSA-N	1	0	425.576	4.817	1	0		IJAFRO
CC[N@@H+]1CCC[C@H]1Cn1c2nc(C)nc(NCc3ccccc3)c2nc1-c1ccccc1	ZINC000007991856	562948691	/nfs/dbraw/zinc/94/86/91/562948691.db2.gz	IZFQMBYVOBQEAY-QFIPXVFZSA-N	1	0	426.568	4.898	1	0		IJAFRO
COc1ccc2cc3cc(C(=O)NCCC[N@@H+]4CCc5ccccc5C4)sc3nc2c1	ZINC000008682882	562961772	/nfs/dbraw/zinc/96/17/72/562961772.db2.gz	LCIDRWKZDUPVQB-UHFFFAOYSA-N	1	0	431.561	4.636	3	0		IJAFRO
CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(-c4ccccc4Cl)o3)CC2)O1	ZINC000012022526	562980243	/nfs/dbraw/zinc/98/02/43/562980243.db2.gz	SNGXKDJEOBGZJY-GOSISDBHSA-N	1	0	430.976	4.886	1	0		IJAFRO
O=C(c1ccccc1)N1CCc2cc(O)ccc2[C@H]1c1ccc(OCC[NH+]2CCCC2)cc1	ZINC000012353904	562981193	/nfs/dbraw/zinc/98/11/93/562981193.db2.gz	QNIDSCOWXYIJKG-HHHXNRCGSA-N	1	0	442.559	4.655	1	0		IJAFRO
O=c1cc(-c2ccc(F)cc2)oc2ccc(OCCCCCC[NH+]3CCC(O)CC3)cc12	ZINC000013454438	562987611	/nfs/dbraw/zinc/98/76/11/562987611.db2.gz	IFCWRTLMQGRKJJ-UHFFFAOYSA-N	1	0	439.527	4.995	1	0		IJAFRO
COc1cccc(N2CC[NH+](CCCCCC(=O)N[C@@H]3CCCc4ccccc43)CC2)c1	ZINC000013586551	562995291	/nfs/dbraw/zinc/99/52/91/562995291.db2.gz	WCZRYYATBVEMRV-AREMUKBSSA-N	1	0	435.612	4.571	1	0		IJAFRO
CNC(=O)N(C)CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1	ZINC000013731202	563001752	/nfs/dbraw/zinc/00/17/52/563001752.db2.gz	RGLSIOAWUHXTFV-UHFFFAOYSA-N	1	0	442.966	4.874	1	0		IJAFRO
CC(C)Oc1ccccc1C1(O)CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1	ZINC000013779674	563006250	/nfs/dbraw/zinc/00/62/50/563006250.db2.gz	TWXBHMQLKGPCTM-UHFFFAOYSA-N	1	0	436.596	4.584	1	0		IJAFRO
COc1ccc(CC[NH2+]CC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC	ZINC000013780749	563006477	/nfs/dbraw/zinc/00/64/77/563006477.db2.gz	NUHIHKCIWRVFEA-QHCPKHFHSA-N	1	0	432.564	4.694	1	0		IJAFRO
CC(/C=N/OCCCC[NH3+])=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000013809008	563008839	/nfs/dbraw/zinc/00/88/39/563008839.db2.gz	IMHYAGZDXDYTDH-OBBHZKPKSA-N	1	0	446.676	4.809	1	0		IJAFRO
C[NH+](C)CCCCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1	ZINC000021289309	563025352	/nfs/dbraw/zinc/02/53/52/563025352.db2.gz	QAUQFKRIRRUBIU-UHFFFAOYSA-N	1	0	429.366	4.675	1	0		IJAFRO
FC(F)(F)c1cc(COC[C@H](c2ccccc2)N2CC[NH2+]CC2)cc(C(F)(F)F)c1	ZINC000022926697	563025975	/nfs/dbraw/zinc/02/59/75/563025975.db2.gz	BUBWRIVYXMCTAG-LJQANCHMSA-N	1	0	432.408	4.887	1	0		IJAFRO
CC1CCN(C(=O)c2ccc(-c3ccc(OCCCN4CC[C@@H]([NH+](C)C)C4)cc3)cc2)CC1	ZINC000022927363	563026167	/nfs/dbraw/zinc/02/61/67/563026167.db2.gz	BIXINFLBBLIPDC-AREMUKBSSA-N	1	0	449.639	4.631	1	0		IJAFRO
CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2n[nH]cc2C1	ZINC000026645989	563034484	/nfs/dbraw/zinc/03/44/84/563034484.db2.gz	KHDCGMWSBNKZBB-VWLOTQADSA-N	1	0	430.596	4.856	1	0		IJAFRO
Cc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)Cc1c[nH]c2ccc(Br)cc12	ZINC000026727794	563035788	/nfs/dbraw/zinc/03/57/88/563035788.db2.gz	FTZJWTORZSQYIK-GOSISDBHSA-N	1	0	431.374	4.589	1	0		IJAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CCc2ccccc2)C1C(=O)OCC	ZINC000026836868	563037316	/nfs/dbraw/zinc/03/73/16/563037316.db2.gz	CRLMTSNPZQVYBD-COUQNMRISA-N	1	0	438.524	4.970	1	0		IJAFRO
CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCCCC(N)=[NH2+])C(=O)O[C@H]2C3)c1	ZINC000027440002	563042466	/nfs/dbraw/zinc/04/24/66/563042466.db2.gz	YQFGGSBJTHWMMZ-VTZPFEBOSA-N	1	0	447.579	4.513	1	0		IJAFRO
COc1cc2c(cc1OC)C(C)(C)CO[C@@H]2CC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000027892154	563048091	/nfs/dbraw/zinc/04/80/91/563048091.db2.gz	CLUJQIIOWNDUSM-JOCHJYFZSA-N	1	0	445.003	4.918	1	0		IJAFRO
COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Cl)cc2)CCC[C@@H]1C[NH+](C)C	ZINC000028092255	563050408	/nfs/dbraw/zinc/05/04/08/563050408.db2.gz	XVIUTJCCMYWUHN-OAHLLOKOSA-N	1	0	432.973	4.522	1	0		IJAFRO
CCNC(=O)c1ccc(C(c2cnccn2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)cc1	ZINC000028456276	563054831	/nfs/dbraw/zinc/05/48/31/563054831.db2.gz	WJCSZQOVHKHKTF-ZRZAMGCNSA-N	1	0	444.604	4.917	1	0		IJAFRO
COc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000028522332	563056090	/nfs/dbraw/zinc/05/60/90/563056090.db2.gz	OMRQJXNDCQSFIT-RUZDIDTESA-N	1	0	436.600	4.508	1	0		IJAFRO
O=C(Nc1ccccc1NC(=O)C1=CCCCC1)OCC1CCN(c2cc[nH+]cc2)CC1	ZINC000028525672	563056779	/nfs/dbraw/zinc/05/67/79/563056779.db2.gz	XIZFKNFDOQACCP-UHFFFAOYSA-N	1	0	434.540	4.986	1	0		IJAFRO
O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(Cl)cnc1NC1CCC1	ZINC000028526191	563056890	/nfs/dbraw/zinc/05/68/90/563056890.db2.gz	HYDCKBALLZODFZ-UHFFFAOYSA-N	1	0	433.383	4.747	1	0		IJAFRO
COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCCN4CCCC(F)(F)C4)ccc32)cc1	ZINC000028818037	563064835	/nfs/dbraw/zinc/06/48/35/563064835.db2.gz	DGCHOADTPWCGNV-DEOSSOPVSA-N	1	0	430.539	4.773	1	0		IJAFRO
Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3F)CC2)c([C@@H]([NH3+])C(C)C)c1	ZINC000028867131	563067323	/nfs/dbraw/zinc/06/73/23/563067323.db2.gz	DHQLNQGLDLPYPC-KOSHJBKYSA-N	1	0	446.010	4.971	1	0		IJAFRO
CC(C)CCn1c2ccc(C[NH+](C)C)cc2nc1Cn1c2ccccc2n(C(C)C)c1=O	ZINC000028952215	563069769	/nfs/dbraw/zinc/06/97/69/563069769.db2.gz	XWSRHRBDGWJGRE-UHFFFAOYSA-N	1	0	433.600	4.890	1	0		IJAFRO
COc1ccc(C2CC[NH+](CCCCNC(=O)/C=C/c3cc(F)cc(F)c3)CC2)cc1	ZINC000028957569	563070435	/nfs/dbraw/zinc/07/04/35/563070435.db2.gz	KYSKIVRKGWPOAN-RUDMXATFSA-N	1	0	428.523	4.763	1	0		IJAFRO
NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@H]4CCC[N@H+](Cc5ccccc5)C4)cc3)nc2c1	ZINC000028960458	563070707	/nfs/dbraw/zinc/07/07/07/563070707.db2.gz	NVMKARZSQDEILW-FQEVSTJZSA-N	1	0	440.547	4.620	1	0		IJAFRO
NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@@H]4CCC[N@H+](Cc5ccccc5)C4)cc3)nc2c1	ZINC000028960454	563070758	/nfs/dbraw/zinc/07/07/58/563070758.db2.gz	NVMKARZSQDEILW-HXUWFJFHSA-N	1	0	440.547	4.620	1	0		IJAFRO
COc1cc2c(cc1OC)C[N@H+](CCC[C@@H]1CCCc3cc(OC)c(OC)cc31)CC2	ZINC000029059697	563073696	/nfs/dbraw/zinc/07/36/96/563073696.db2.gz	ILEQWDOJJVJXBN-SFHVURJKSA-N	1	0	425.569	4.979	1	0		IJAFRO
C[C@@H](OC[C@@]1(c2ccccc2)C[C@H]([NH3+])C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000034271496	563085945	/nfs/dbraw/zinc/08/59/45/563085945.db2.gz	JKJDVBSGBXQCLI-JLBUNGTFSA-N	1	0	446.391	4.545	1	0		IJAFRO
CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@H+]2C)c1	ZINC000035328050	563089898	/nfs/dbraw/zinc/08/98/98/563089898.db2.gz	SLSRYMJCMOWUIE-RDPSFJRHSA-N	1	0	425.548	4.883	1	0		IJAFRO
CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CNc2ccccc2)CC1	ZINC000036285852	563092488	/nfs/dbraw/zinc/09/24/88/563092488.db2.gz	DYMJWDDZBWQCAB-NRFANRHFSA-N	1	0	448.533	4.512	1	0		IJAFRO
C[NH+](C)CCOCCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc21	ZINC000036311431	563092747	/nfs/dbraw/zinc/09/27/47/563092747.db2.gz	LUEVEHTZMJITHX-UHFFFAOYSA-N	1	0	438.959	4.777	1	0		IJAFRO
Cc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)C[NH3+])c(C)c2)c2c1CC(C)(C)CC2	ZINC000036478065	563095547	/nfs/dbraw/zinc/09/55/47/563095547.db2.gz	CGCHAJLAELEKCS-IBGZPJMESA-N	1	0	429.626	4.702	1	0		IJAFRO
Cc1nnc(C(C)C)n1C1CC[NH+]([C@H](C)C[C@H](NC(=O)CC2CC2)c2ccccc2)CC1	ZINC000040900046	563110905	/nfs/dbraw/zinc/11/09/05/563110905.db2.gz	XKUZAOLNXRKIRL-DVECYGJZSA-N	1	0	437.632	4.783	1	0		IJAFRO
O=C(Cc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[N@@H+](CC1CCC1)CC3	ZINC000040979392	563115466	/nfs/dbraw/zinc/11/54/66/563115466.db2.gz	QNNHAMSIOKPMIM-XNFLFYSQSA-N	1	0	445.603	4.808	1	0		IJAFRO
O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(c2cc[nH+]c3ccccc32)CC1	ZINC000045196364	563124625	/nfs/dbraw/zinc/12/46/25/563124625.db2.gz	AEYOEERYPVNKHJ-UHFFFAOYSA-N	1	0	430.430	4.924	1	0		IJAFRO
Cc1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4cccc(O)c4)CC3)c2)cc1F	ZINC000045230232	563126066	/nfs/dbraw/zinc/12/60/66/563126066.db2.gz	YDHBHMMDMGQBTK-UHFFFAOYSA-N	1	0	447.554	4.800	1	0		IJAFRO
CCC[N@H+](CCN1CCN(c2ccc3ccccc3c2)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000045254731	563127138	/nfs/dbraw/zinc/12/71/38/563127138.db2.gz	UUXJEWIMBQSYJG-NDEPHWFRSA-N	1	0	443.635	4.937	1	0		IJAFRO
CC[N@@H+]1CCC[C@H](CNC(=O)/C(=C/C=C/c2cc3cc(Cl)c(Cl)cc3[nH]2)OC)C1	ZINC000045321847	563130302	/nfs/dbraw/zinc/13/03/02/563130302.db2.gz	DIJWODNRSKJDJF-WCDZUZCKSA-N	1	0	436.383	4.866	1	0		IJAFRO
CC(C)(C)c1cc(C(=O)Nc2cccc(Cl)c2)nc(N2CCC([NH+]3CCCC3)CC2)n1	ZINC000049792508	563139870	/nfs/dbraw/zinc/13/98/70/563139870.db2.gz	OQSUTNRJRIPETF-UHFFFAOYSA-N	1	0	442.007	4.744	1	0		IJAFRO
CSc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc(Cl)c2)CC[C@@H]([NH+](C)C)C1	ZINC000060326091	563147024	/nfs/dbraw/zinc/14/70/24/563147024.db2.gz	GBFUWADFIBAMRC-OAHLLOKOSA-N	1	0	435.014	4.673	1	0		IJAFRO
C[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccc2ccccc2c1	ZINC000061902504	563147748	/nfs/dbraw/zinc/14/77/48/563147748.db2.gz	RPQMQURCAKLHKJ-MUUNZHRXSA-N	1	0	427.592	4.585	3	0		IJAFRO
CCN(CC)CC(=O)Nc1ccc(C(=O)c2ccc(C[N@H+](C)Cc3ccccc3)cc2)cc1	ZINC000071329735	563162360	/nfs/dbraw/zinc/16/23/60/563162360.db2.gz	LJAFQNCTOAFIMB-UHFFFAOYSA-N	1	0	443.591	4.830	1	0		IJAFRO
CCn1cc([C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1	ZINC000072101656	563162736	/nfs/dbraw/zinc/16/27/36/563162736.db2.gz	HGJFWHJDIOBYGX-QFIPXVFZSA-N	1	0	429.490	4.665	1	0		IJAFRO
CS(=O)(=O)Nc1ccc2c(c1)[C@H]([NH+]1CCCC1)c1cc(-c3ccccc3)cnc1C=C2	ZINC000072110239	563163311	/nfs/dbraw/zinc/16/33/11/563163311.db2.gz	AAPKMLWLODKOBC-VWLOTQADSA-N	1	0	431.561	4.789	1	0		IJAFRO
C[C@]1(C(=O)Nc2ccc3ccccc3c2)CCC(=O)N1C1CC[NH+](Cc2ccccc2)CC1	ZINC000072138309	563164228	/nfs/dbraw/zinc/16/42/28/563164228.db2.gz	ASZSBRNLLHAWAO-MUUNZHRXSA-N	1	0	441.575	4.824	3	0		IJAFRO
Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1	ZINC000072178143	563166188	/nfs/dbraw/zinc/16/61/88/563166188.db2.gz	PDFAUYXBJDPBCE-HXUWFJFHSA-N	1	0	448.394	4.727	1	0		IJAFRO
C[N@H+](CCNC[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)C1CCCC1	ZINC000072180614	563166953	/nfs/dbraw/zinc/16/69/53/563166953.db2.gz	BEENWVQZLLUHPI-KRWDZBQOSA-N	1	0	449.439	4.770	1	0		IJAFRO
CC(=O)N1CCc2ccc(C(=O)CCC[NH+]3CCC(c4cccc(C)c4)CC3)cc2CC1	ZINC000073160435	563169402	/nfs/dbraw/zinc/16/94/02/563169402.db2.gz	XUVBZWZGJVYTGN-UHFFFAOYSA-N	1	0	432.608	4.785	1	0		IJAFRO
CC(=O)N[C@H]1Cc2ccc(C(=O)CCC[NH+]3CCC(c4ccc(Cl)cc4)CC3)cc2C1	ZINC000073169301	563169735	/nfs/dbraw/zinc/16/97/35/563169735.db2.gz	HVVAWNSFFPDJJU-VWLOTQADSA-N	1	0	438.999	4.786	1	0		IJAFRO
CCOC(=O)[C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000095543257	563180726	/nfs/dbraw/zinc/18/07/26/563180726.db2.gz	VRYVVFVZEJRXMI-FGYLQJAXSA-N	1	0	449.010	4.647	1	0		IJAFRO
Cn1cc(-c2ccc(CN3c4ccccc4[C@]4(CC[N@@H+](C5CCCC5)C4)C3=O)cc2)cn1	ZINC000095586895	563189247	/nfs/dbraw/zinc/18/92/47/563189247.db2.gz	NIOBMHUCDISLEJ-HHHXNRCGSA-N	1	0	426.564	4.520	1	0		IJAFRO
O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H]([NH2+]C1CCCCC1)C2	ZINC000095595379	563191280	/nfs/dbraw/zinc/19/12/80/563191280.db2.gz	HAVFEUQOBMGBRS-HCLVMJGWSA-N	1	0	435.534	4.856	1	0		IJAFRO
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@H](C2CC2)C(=O)N3)c1)Cc1c[nH]c2ccccc12	ZINC000096308839	563197449	/nfs/dbraw/zinc/19/74/49/563197449.db2.gz	JHQZSPAWMMVUEC-FNZWTVRRSA-N	1	0	438.531	4.624	1	0		IJAFRO
Cc1cc(=O)oc2cc(OCCCC[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)ccc12	ZINC000096929496	563198650	/nfs/dbraw/zinc/19/86/50/563198650.db2.gz	ZJINFGDUUYACDC-UHFFFAOYSA-N	1	0	437.511	4.994	1	0		IJAFRO
COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2cccc3ccccc32)cc1	ZINC000006199217	562946505	/nfs/dbraw/zinc/94/65/05/562946505.db2.gz	AKPJKVQQBSNRID-PISWEHOVSA-N	1	0	438.593	4.789	1	0	in-vitro	IJAFRO
Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(F)cc2)C1	ZINC000008597882	562954089	/nfs/dbraw/zinc/95/40/89/562954089.db2.gz	GTIVHCUXPOVUSA-IBGZPJMESA-N	1	0	441.934	4.971	1	0		IJAFRO
Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc(C)c1O	ZINC000012112190	562980813	/nfs/dbraw/zinc/98/08/13/562980813.db2.gz	PLHUFQAQZFGOOO-UHFFFAOYSA-N	1	0	438.959	4.948	3	0		IJAFRO
O=C(NCCc1cccc(Cl)c1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000012439413	562982149	/nfs/dbraw/zinc/98/21/49/562982149.db2.gz	UXZNVXUIJCUIJA-UHFFFAOYSA-N	1	0	449.982	4.751	3	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@@H]1C[C@H](c2ccccc2)c2ccccc2C1=O	ZINC000013473091	562988141	/nfs/dbraw/zinc/98/81/41/562988141.db2.gz	UZPNDQMXOWZSMG-NZQKXSOJSA-N	1	0	431.532	4.707	1	0		IJAFRO
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3C[C@@H]3C[NH+](C)C)sc2c1	ZINC000013533986	562992232	/nfs/dbraw/zinc/99/22/32/562992232.db2.gz	SOGUXRRGKRATRL-CABCVRRESA-N	1	0	442.972	4.647	1	0		IJAFRO
C[NH+](C)C[C@@H](O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1	ZINC000013537898	562992570	/nfs/dbraw/zinc/99/25/70/562992570.db2.gz	QNIZBMDMEQUCHR-MRXNPFEDSA-N	1	0	448.354	4.572	1	0		IJAFRO
Cc1cccc(NC(=O)Nc2ccc(-c3c(CC[NH+](C)C)sc4ncnc(N)c43)cc2)c1	ZINC000013673676	563000203	/nfs/dbraw/zinc/00/02/03/563000203.db2.gz	UUEOQZKZFDNZCH-UHFFFAOYSA-N	1	0	446.580	4.997	1	0		IJAFRO
O=C1OC2(CN1Cc1ccc(Cl)cc1)CC[NH+](CCc1c[nH]c3ccc(F)cc13)CC2	ZINC000013743423	563003592	/nfs/dbraw/zinc/00/35/92/563003592.db2.gz	PDMAZBAIJCAKJF-UHFFFAOYSA-N	1	0	441.934	4.990	1	0		IJAFRO
CCCCCNC(=O)Nc1c(OCCC[NH2+]CCc2ccccc2)cccc1N(C)C	ZINC000013827583	563010726	/nfs/dbraw/zinc/01/07/26/563010726.db2.gz	OCJBFQGTZBBHON-UHFFFAOYSA-N	1	0	426.605	4.666	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc3c(c2)OCO3)c2ccccc2)CC1	ZINC000013861701	563012787	/nfs/dbraw/zinc/01/27/87/563012787.db2.gz	WFXHLPQBXUDHQA-DEOSSOPVSA-N	1	0	446.547	4.756	1	0		IJAFRO
[NH3+][C@H](COc1cncc(-c2ccc(Nc3ncccn3)cc2)c1)Cc1c[nH]c2ccccc12	ZINC000014957532	563015949	/nfs/dbraw/zinc/01/59/49/563015949.db2.gz	QJSPYIXFWLURHN-NRFANRHFSA-N	1	0	436.519	4.712	1	0		IJAFRO
COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3ccc(Cl)cc3)CC1)OCCC2	ZINC000027737884	563046443	/nfs/dbraw/zinc/04/64/43/563046443.db2.gz	BCMXRZMJMZCNQQ-QFIPXVFZSA-N	1	0	430.976	4.573	1	0		IJAFRO
Cc1ccc(C(=O)NN2CC=C(c3ccc4[nH]cc(CC[NH+]5CCCC5)c4c3)CC2)cc1	ZINC000027858450	563047447	/nfs/dbraw/zinc/04/74/47/563047447.db2.gz	ARNQZWHSIMTQHL-UHFFFAOYSA-N	1	0	428.580	4.549	1	0		IJAFRO
COc1cc2c(cc1OC)C(C)(C)CO[C@H]2CC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000027892161	563048077	/nfs/dbraw/zinc/04/80/77/563048077.db2.gz	CLUJQIIOWNDUSM-QFIPXVFZSA-N	1	0	445.003	4.918	1	0		IJAFRO
CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccc(OCc3ccccc3)cc1)[C@H](C)N2	ZINC000028106315	563050733	/nfs/dbraw/zinc/05/07/33/563050733.db2.gz	CATINXDHZCVFMD-HNNXBMFYSA-N	1	0	431.496	4.746	1	0		IJAFRO
C[NH2+]Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1	ZINC000028111848	563050824	/nfs/dbraw/zinc/05/08/24/563050824.db2.gz	JCDNVUUQGUIZBU-UHFFFAOYSA-N	1	0	429.307	4.612	1	0		IJAFRO
COC(=O)c1cccc(COc2ccc3cc([C@@H]([C@H](C)[NH+](C)C)n4ccnc4)ccc3c2)c1	ZINC000028340097	563052849	/nfs/dbraw/zinc/05/28/49/563052849.db2.gz	FHATZVOKYMKNGI-AFMDSPMNSA-N	1	0	443.547	4.941	1	0		IJAFRO
COc1cc2c(cc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N(C(=O)c1cccc(Cl)c1Cl)CC2	ZINC000028522378	563056113	/nfs/dbraw/zinc/05/61/13/563056113.db2.gz	KDIHCTYKLWEQQU-GASCZTMLSA-N	1	0	448.394	4.734	1	0		IJAFRO
CC(=O)N1CC[C@@H](C)c2c(C)ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c21	ZINC000028528256	563057157	/nfs/dbraw/zinc/05/71/57/563057157.db2.gz	WGKKVLJBBALZSS-LJQANCHMSA-N	1	0	448.636	4.830	1	0		IJAFRO
COc1cccc(CN2CCC[C@@H]2[C@H](O)C[NH2+]C(C)(C)Cc2ccc3ccccc3c2)c1	ZINC000028564726	563057821	/nfs/dbraw/zinc/05/78/21/563057821.db2.gz	FSGXGDDEFDQJGN-KAYWLYCHSA-N	1	0	432.608	4.785	1	0		IJAFRO
C[NH+]1CCN(CCOc2ccc(C3O[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc2)CC1	ZINC000028816270	563064520	/nfs/dbraw/zinc/06/45/20/563064520.db2.gz	VQZSWXQKDQAQDU-KAYWLYCHSA-N	1	0	444.575	4.841	1	0		IJAFRO
COc1ccc(N2C(=O)c3c4ccccc4n(C)c3[C@@H]2C)cc1OCC[NH+]1CCCCC1	ZINC000028818832	563065047	/nfs/dbraw/zinc/06/50/47/563065047.db2.gz	CZLWVNMLZYHWCT-SFHVURJKSA-N	1	0	433.552	4.773	1	0		IJAFRO
COc1cc2c(cc1OC)C[N@H+](CCC[C@H]1CCCc3cc(OC)c(OC)cc31)CC2	ZINC000029059701	563073679	/nfs/dbraw/zinc/07/36/79/563073679.db2.gz	ILEQWDOJJVJXBN-GOSISDBHSA-N	1	0	425.569	4.979	1	0		IJAFRO
COc1cc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)ccc1OCc1ccccc1	ZINC000029131188	563075609	/nfs/dbraw/zinc/07/56/09/563075609.db2.gz	GWCFDNUEBOEEKE-UHFFFAOYSA-N	1	0	435.507	4.799	1	0		IJAFRO
C[N@@H+]1C[C@H](C(=O)Nc2ccc(Cl)nn2)C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c43)C[C@H]21	ZINC000034800958	563087343	/nfs/dbraw/zinc/08/73/43/563087343.db2.gz	CQMXKYDRFMRPTO-QGPMSJSTSA-N	1	0	437.975	4.508	1	0		IJAFRO
CCC[N@H+](CCCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000034801043	563087441	/nfs/dbraw/zinc/08/74/41/563087441.db2.gz	AWTICCZHEMZKBF-GOSISDBHSA-N	1	0	441.522	4.583	1	0		IJAFRO
C[C@@H](Oc1cc(-c2cnn([C@H]3CC[NH2+]C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	ZINC000035997993	563090676	/nfs/dbraw/zinc/09/06/76/563090676.db2.gz	FOYJLDDDNZOYPZ-RISCZKNCSA-N	1	0	436.318	4.648	1	0		IJAFRO
O=C(NCCC[N@@H+]1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(-c2ccccc2)cc1	ZINC000036093097	563091135	/nfs/dbraw/zinc/09/11/35/563091135.db2.gz	BBOSHAAVWWFNEP-AREMUKBSSA-N	1	0	425.576	4.611	1	0		IJAFRO
CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1	ZINC000036285752	563092444	/nfs/dbraw/zinc/09/24/44/563092444.db2.gz	OBDHJUPYNWYVFY-XXBNENTESA-N	1	0	428.020	4.913	1	0		IJAFRO
C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(F)cc5)ccc4c3=O)cn2)C1	ZINC000036351556	563093341	/nfs/dbraw/zinc/09/33/41/563093341.db2.gz	WSQVGZGGLQLIDC-LJQANCHMSA-N	1	0	445.494	4.927	1	0		IJAFRO
CCC[N@H+](CCCCn1ccc2cc(F)ccc21)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040939386	563113321	/nfs/dbraw/zinc/11/33/21/563113321.db2.gz	UVAUNLUVSFGRMF-IBGZPJMESA-N	1	0	441.522	4.514	1	0	in-vitro	IJAFRO
Cc1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4cccc(O)c4)CC3)c2)cc1	ZINC000045189700	563123390	/nfs/dbraw/zinc/12/33/90/563123390.db2.gz	FOUHLXRVDQDZPW-UHFFFAOYSA-N	1	0	429.564	4.661	1	0		IJAFRO
Nc1c(Cl)cc([C@H](O)C[NH2+]CCCCCCOCCC=C2CCOCC2)cc1Cl	ZINC000045201937	563124824	/nfs/dbraw/zinc/12/48/24/563124824.db2.gz	ZYMNISVPZWFDJY-OAQYLSRUSA-N	1	0	445.431	4.903	1	0		IJAFRO
O=c1[nH]c2cccc(OC3CC[NH+](CC[C@@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1	ZINC000045245059	563126289	/nfs/dbraw/zinc/12/62/89/563126289.db2.gz	FJOGXSUKUXQYQW-INIZCTEOSA-N	1	0	449.526	4.780	1	0		IJAFRO
CC[N@@H+]1CCC[C@@H](CNC(=O)/C(=C/C=C/c2cc3cc(Cl)c(Cl)cc3[nH]2)OC)C1	ZINC000045321850	563130327	/nfs/dbraw/zinc/13/03/27/563130327.db2.gz	DIJWODNRSKJDJF-IYPKQVHASA-N	1	0	436.383	4.866	1	0		IJAFRO
CCC[N@@H+]1CCc2cc3oc(=O)n(C)c3cc2[C@H]1c1cccc(OC(=O)c2ccccc2)c1	ZINC000045350605	563132257	/nfs/dbraw/zinc/13/22/57/563132257.db2.gz	FJOZJJCQRQWGHS-RUZDIDTESA-N	1	0	442.515	4.708	1	0		IJAFRO
COc1ccccc1NC(=O)[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1	ZINC000045357398	563132734	/nfs/dbraw/zinc/13/27/34/563132734.db2.gz	GDNFCRISLXZPOR-QFIPXVFZSA-N	1	0	431.517	4.953	1	0		IJAFRO
C[NH+](C)CCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1	ZINC000049053883	563137101	/nfs/dbraw/zinc/13/71/01/563137101.db2.gz	RBBNVYUJSNUMKA-MHZLTWQESA-N	1	0	445.515	4.865	1	0		IJAFRO
O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc(Cl)cc1Cl	ZINC000064277726	563152529	/nfs/dbraw/zinc/15/25/29/563152529.db2.gz	YLQQOTSPLJIVLY-IBGZPJMESA-N	1	0	427.397	4.889	1	0		IJAFRO
O=C1C(=O)N(CCCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)c2cc(Cl)ccc21	ZINC000064531974	563154893	/nfs/dbraw/zinc/15/48/93/563154893.db2.gz	GAYQOUMFKXUVFU-UHFFFAOYSA-N	1	0	433.817	4.939	1	0		IJAFRO
CC1=C2C[C@H]3[C@@H](CC[C@@H]4CNC(=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@H]2C	ZINC000064564704	563156433	/nfs/dbraw/zinc/15/64/33/563156433.db2.gz	ADYVSNMICSBZKS-BHPWNTDNSA-N	1	0	440.672	4.837	1	0		IJAFRO
C[C@H](C[NH2+]C(C)(C)C)NC[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072181102	563167056	/nfs/dbraw/zinc/16/70/56/563167056.db2.gz	CSMDGUGEATZDRM-IAQYHMDHSA-N	1	0	437.428	4.672	1	0		IJAFRO
O=C(c1ccccc1)N1CC(C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)C1	ZINC000072185460	563168096	/nfs/dbraw/zinc/16/80/96/563168096.db2.gz	MGJUBFNMMRKDFP-JOCHJYFZSA-N	1	0	425.454	4.552	1	0		IJAFRO
COc1ccccc1N1CC[NH+](C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@H]2O)CC1	ZINC000073277843	563171740	/nfs/dbraw/zinc/17/17/40/563171740.db2.gz	GZRLRTFOHXYECM-LXFBAYGMSA-N	1	0	442.603	4.574	1	0		IJAFRO
CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CC[N@H+](CC2CC2)C3)C1	ZINC000084617986	563174417	/nfs/dbraw/zinc/17/44/17/563174417.db2.gz	MLGNFOAOQAXJRD-HYHMEIGWSA-N	1	0	446.591	4.606	1	0		IJAFRO
Cc1ccc2nc(N(C)C)nc(NCc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2c1	ZINC000084620123	563174669	/nfs/dbraw/zinc/17/46/69/563174669.db2.gz	OZDLFZAHWZYRLO-UHFFFAOYSA-N	1	0	443.526	4.685	1	0		IJAFRO
CO[C@@H]1Cc2sc([C@@H](O)c3ccccc3)cc2C2(CC[NH+](Cc3ccccc3)CC2)O1	ZINC000084757072	563179436	/nfs/dbraw/zinc/17/94/36/563179436.db2.gz	UMYWBSZKHRPVCV-DQEYMECFSA-N	1	0	435.589	4.866	1	0		IJAFRO
NC(=O)O[C@H](CC[NH+]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1	ZINC000095580559	563187280	/nfs/dbraw/zinc/18/72/80/563187280.db2.gz	YEBNXUKBTYTFQY-LJQANCHMSA-N	1	0	441.881	4.708	1	0		IJAFRO
COc1ccc(S(=O)(=O)c2ccc(CN3CCCc4cc5[nH]c(C)[nH+]c5cc43)cc2)cc1	ZINC000008569028	132282341	/nfs/dbraw/zinc/28/23/41/132282341.db2.gz	IODKXSBKLLPRHC-UHFFFAOYSA-N	1	0	447.560	4.666	1	0		IJAFRO
CN(C(=O)[C@@H]1CCc2csc3cccc1c23)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1	ZINC000003787774	562937912	/nfs/dbraw/zinc/93/79/12/562937912.db2.gz	MPLOOKCTVWUMQO-QILISPFLSA-N	1	0	438.637	4.956	1	0		IJAFRO
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCCC[NH3+])CC[C@@]43C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	ZINC000003799866	562938237	/nfs/dbraw/zinc/93/82/37/562938237.db2.gz	YHQIVWUDUQKGHJ-IUZMMDMLSA-N	1	0	447.685	4.694	1	0		IJAFRO
COC(=O)c1ccccc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000012434765	562982147	/nfs/dbraw/zinc/98/21/47/562982147.db2.gz	JTQKIDONFQCFAT-JOCHJYFZSA-N	1	0	449.595	4.555	3	0		IJAFRO
COC(=O)c1cc2ccccc2n1CCCCCCCCCOC(=O)c1ccc[n+](C)c1	ZINC000013524937	562991661	/nfs/dbraw/zinc/99/16/61/562991661.db2.gz	PBRACUCEGKLLSG-UHFFFAOYSA-N	1	0	437.560	4.840	1	0		IJAFRO
CN(C[C@H](CC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1	ZINC000013534594	562992331	/nfs/dbraw/zinc/99/23/31/562992331.db2.gz	YJAQMWFTGRCBCP-IBGZPJMESA-N	1	0	435.395	4.696	1	0		IJAFRO
N=C1NC(=[NH2+])N[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1c1cccc(Cl)c1	ZINC000013559322	562993901	/nfs/dbraw/zinc/99/39/01/562993901.db2.gz	FWBIMLMZISAUKA-LJQANCHMSA-N	1	0	426.307	4.934	1	0		IJAFRO
Cc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(CC[NH+]5CCCC5)c4c3)CC2)cc1	ZINC000013589452	562996356	/nfs/dbraw/zinc/99/63/56/562996356.db2.gz	DZPHGKIJCOENSY-UHFFFAOYSA-N	1	0	449.620	4.593	1	0		IJAFRO
C[N@@H+]1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12	ZINC000013607607	562997467	/nfs/dbraw/zinc/99/74/67/562997467.db2.gz	LMRKUSRHDIWEGP-HNNXBMFYSA-N	1	0	438.380	4.912	1	0		IJAFRO
c1cc2c(N3CC[NH+](Cc4ccccc4)CC3)nc3ccc(OCc4ccccc4)nc3n2c1	ZINC000013762460	563005423	/nfs/dbraw/zinc/00/54/23/563005423.db2.gz	TWVWKVHMRMXBRT-UHFFFAOYSA-N	1	0	449.558	4.784	1	0		IJAFRO
COc1ccc(CC[NH+]2CCN(c3ccccc3OC)CC2)cc1OCCc1ccccc1	ZINC000013795788	563007292	/nfs/dbraw/zinc/00/72/92/563007292.db2.gz	VMYVUXDFCVFDSX-UHFFFAOYSA-N	1	0	446.591	4.690	1	0		IJAFRO
CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2CC[NH+]2CCCCC2)c1C	ZINC000013820806	563010047	/nfs/dbraw/zinc/01/00/47/563010047.db2.gz	NTKKYYXVVRAMIR-PMERELPUSA-N	1	0	442.654	4.645	1	0		IJAFRO
CN(C(=O)[C@H]1CCc2csc3cccc1c23)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1	ZINC000013860900	563012598	/nfs/dbraw/zinc/01/25/98/563012598.db2.gz	MPLOOKCTVWUMQO-YGWSKSRPSA-N	1	0	438.637	4.956	1	0		IJAFRO
CNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc(C(=O)c3ccccc3)cc2)c1	ZINC000013864709	563013594	/nfs/dbraw/zinc/01/35/94/563013594.db2.gz	NWPIUZHAZCZQMX-UHFFFAOYSA-N	1	0	432.520	4.537	1	0		IJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(Br)c4)c3)cc12	ZINC000014961651	563016171	/nfs/dbraw/zinc/01/61/71/563016171.db2.gz	KODVNMIRYZAUSU-IBGZPJMESA-N	1	0	437.341	4.645	1	0		IJAFRO
CC[NH+](CC)CC[C@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21	ZINC000017249202	563021817	/nfs/dbraw/zinc/02/18/17/563021817.db2.gz	YCVQUIDTOAIVAE-HXUWFJFHSA-N	1	0	434.584	4.503	1	0		IJAFRO
Nc1cccc(/C=C/CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1	ZINC000022860061	563025669	/nfs/dbraw/zinc/02/56/69/563025669.db2.gz	XZSZYYVAROMVEL-CSKARUKUSA-N	1	0	427.592	4.706	1	0		IJAFRO
C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CCC2)cc1	ZINC000025967451	563027796	/nfs/dbraw/zinc/02/77/96/563027796.db2.gz	CGLAXSYMFVYKRL-CJFMBICVSA-N	1	0	429.576	4.536	1	0		IJAFRO
CS(=O)(=O)Nc1ccc(CC[N@H+](Cc2ccccc2)Cc2ccc(Cl)cc2)cc1	ZINC000026257398	563030169	/nfs/dbraw/zinc/03/01/69/563030169.db2.gz	HSBSGJCYPVXHKB-UHFFFAOYSA-N	1	0	428.985	4.956	1	0		IJAFRO
Cc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1	ZINC000026376238	563031049	/nfs/dbraw/zinc/03/10/49/563031049.db2.gz	AZBTYTBTYGPQFW-OAQYLSRUSA-N	1	0	426.626	4.839	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1	ZINC000026571489	563033360	/nfs/dbraw/zinc/03/33/60/563033360.db2.gz	WWABSSMRPUCUEJ-UHFFFAOYSA-N	1	0	442.563	4.830	1	0		IJAFRO
CN(C)c1ccc(CC(=O)NCCCCCCC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1	ZINC000027642823	563045076	/nfs/dbraw/zinc/04/50/76/563045076.db2.gz	JNOJSFZWSCIRHI-UHFFFAOYSA-N	1	0	425.661	4.920	1	0		IJAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)C(C2=CCN(C(=O)OC)C=C2)C1C(=O)OCC(C)C	ZINC000027724641	563045927	/nfs/dbraw/zinc/04/59/27/563045927.db2.gz	LNZXOUQQTVVMFX-PGVNHDJNSA-N	1	0	446.544	4.515	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3ccccc3Cl)CC1)OCCC2	ZINC000027741630	563046489	/nfs/dbraw/zinc/04/64/89/563046489.db2.gz	IZNQKYUHCXUXJE-JOCHJYFZSA-N	1	0	430.976	4.573	1	0		IJAFRO
COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3ccc(Cl)cc3)CC1)OC(C)(C)C2	ZINC000027899526	563048243	/nfs/dbraw/zinc/04/82/43/563048243.db2.gz	NNOWBXBHQCUCHN-QFIPXVFZSA-N	1	0	445.003	4.962	1	0		IJAFRO
C[NH+](C)CCNC(=O)c1cccc(-c2cc(Cl)c3c(c2)C2(CCCCC2)NC(=O)N3)c1	ZINC000028379549	563054050	/nfs/dbraw/zinc/05/40/50/563054050.db2.gz	CBHIBSGFEWJCSB-UHFFFAOYSA-N	1	0	440.975	4.593	1	0		IJAFRO
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(C(=O)c4cccs4)c4ccccc34)CC2)c1	ZINC000028476885	563055736	/nfs/dbraw/zinc/05/57/36/563055736.db2.gz	ZSAGRGVSQBYUNU-UHFFFAOYSA-N	1	0	443.572	4.870	1	0		IJAFRO
C[NH+](C)CCNC(=O)c1ccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc32)cc1	ZINC000028529003	563057267	/nfs/dbraw/zinc/05/72/67/563057267.db2.gz	WPHLFVIDUSHWHQ-UHFFFAOYSA-N	1	0	433.943	4.918	1	0		IJAFRO
COc1ccc(CCC(C)(C)[NH3+])cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc21	ZINC000028567820	563058357	/nfs/dbraw/zinc/05/83/57/563058357.db2.gz	QOCLBFVPBRJSKH-UHFFFAOYSA-N	1	0	438.482	4.720	1	0		IJAFRO
Cc1cc(N(C)CC[NH+](C)C)nc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc12	ZINC000028569533	563058887	/nfs/dbraw/zinc/05/88/87/563058887.db2.gz	MHDHYYFMBUEFDO-UHFFFAOYSA-N	1	0	446.473	4.692	1	0		IJAFRO
CC(C)CCn1c2cc(C[NH+](C)C)ccc2nc1Cn1c2ccccc2n(C(C)C)c1=O	ZINC000028952242	563069789	/nfs/dbraw/zinc/06/97/89/563069789.db2.gz	NBEXZEBMZRTMIN-UHFFFAOYSA-N	1	0	433.600	4.890	1	0		IJAFRO
COc1cc(NCCCCCC[NH+]2CCN(c3ccccn3)CC2)c2nccc(C)c2c1	ZINC000029564210	563082478	/nfs/dbraw/zinc/08/24/78/563082478.db2.gz	LRPHFAMUMHXBHA-UHFFFAOYSA-N	1	0	433.600	4.741	1	0		IJAFRO
CCN(CC)C(=O)c1ccc([C@@]2(c3cccc(O)c3)CCC[N@H+](Cc3nccs3)C2)cc1	ZINC000033971506	563085228	/nfs/dbraw/zinc/08/52/28/563085228.db2.gz	ZAKIMSJDFSDBER-AREMUKBSSA-N	1	0	449.620	4.913	1	0		IJAFRO
[NH2+]=C1N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(CCC3CC3)c2)C2=NCCCN12	ZINC000035998157	563090747	/nfs/dbraw/zinc/09/07/47/563090747.db2.gz	HAEYOFDFQFNGQU-HSZRJFAPSA-N	1	0	442.485	4.604	1	0		IJAFRO
OCC[N@@H+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2	ZINC000036093081	563091050	/nfs/dbraw/zinc/09/10/50/563091050.db2.gz	QIFYCDNAYDWBME-LADGPHEKSA-N	1	0	428.979	4.979	1	0		IJAFRO
O=C1NCCC[C@@]1(c1ccccc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000040973152	563115030	/nfs/dbraw/zinc/11/50/30/563115030.db2.gz	KCAXAFVXDVHEEZ-HSZRJFAPSA-N	1	0	427.386	4.509	1	0		IJAFRO
Nc1c(Cl)cc([C@@H](O)C[NH2+]CCCCCCOCCC=C2CCOCC2)cc1Cl	ZINC000045201940	563124853	/nfs/dbraw/zinc/12/48/53/563124853.db2.gz	ZYMNISVPZWFDJY-NRFANRHFSA-N	1	0	445.431	4.903	1	0		IJAFRO
COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc([C@H]2CCC[N@H+](C)C2)c1	ZINC000045231054	563126195	/nfs/dbraw/zinc/12/61/95/563126195.db2.gz	NHHLHMPFLPKCHW-MZEUMTGBSA-N	1	0	429.358	4.919	1	0		IJAFRO
COc1ccc2cc3[n+](cc2c1OCCOc1ccccc1)CCc1cc2c(cc1-3)OCO2	ZINC000045371334	563133434	/nfs/dbraw/zinc/13/34/34/563133434.db2.gz	BTWWJBNJLCMOGS-UHFFFAOYSA-N	1	0	442.491	4.546	1	0	in-vivo	IJAFRO
Cc1n[nH]c(C)c1NC(=O)OC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1	ZINC000045374817	563133637	/nfs/dbraw/zinc/13/36/37/563133637.db2.gz	DBQIGPPIAXXZLB-SFHVURJKSA-N	1	0	449.536	4.894	1	0		IJAFRO
CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@H]([NH3+])Cc3ccccc3)cs2)nc1	ZINC000061905982	563148474	/nfs/dbraw/zinc/14/84/74/563148474.db2.gz	LEWNVLFXKJBTFV-OAQYLSRUSA-N	1	0	443.576	4.796	3	0		IJAFRO
CC(C)C[C@H]([NH3+])c1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1	ZINC000061930098	563150618	/nfs/dbraw/zinc/15/06/18/563150618.db2.gz	ZITBWMCZNALKCN-KRWDZBQOSA-N	1	0	425.602	4.984	3	0		IJAFRO
Cc1c(C[NH2+]Cc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cnn1C	ZINC000062233105	563152151	/nfs/dbraw/zinc/15/21/51/563152151.db2.gz	ZGGMUNJMGPPDEV-UHFFFAOYSA-N	1	0	425.536	4.520	1	0		IJAFRO
CC(C)[NH+]1CCC(Oc2ccc3c(cc4n3CCN(Cc3cccc(F)c3)C4=O)c2)CC1	ZINC000064539894	563155152	/nfs/dbraw/zinc/15/51/52/563155152.db2.gz	YWRUWMBYWLUSJM-UHFFFAOYSA-N	1	0	435.543	4.688	1	0		IJAFRO
Cc1ccc([C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)cc1	ZINC000066258339	563160261	/nfs/dbraw/zinc/16/02/61/563160261.db2.gz	FUBPHSRCDWKBAW-DNRBGDKYSA-N	1	0	428.557	4.965	1	0		IJAFRO
C=Cc1ccccc1Cn1nc(C)c(C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2)c1C	ZINC000072180339	563166861	/nfs/dbraw/zinc/16/68/61/563166861.db2.gz	ZZQSFFVARQHGNE-QHCPKHFHSA-N	1	0	439.987	4.716	1	0		IJAFRO
CCN(CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)S(=O)(=O)c1cccc2cccnc21	ZINC000073170188	563169840	/nfs/dbraw/zinc/16/98/40/563169840.db2.gz	AWWHYCGNIZANRQ-RBBKRZOGSA-N	1	0	429.630	4.538	1	0		IJAFRO
COc1ccccc1N1CC[NH+](C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1	ZINC000073279544	563171773	/nfs/dbraw/zinc/17/17/73/563171773.db2.gz	GZRLRTFOHXYECM-QDPGVEIFSA-N	1	0	442.603	4.574	1	0		IJAFRO
Cc1nc2ccc(Oc3ccc(Cl)cc3F)nc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000073297001	563172137	/nfs/dbraw/zinc/17/21/37/563172137.db2.gz	YGJJZTOCYLHLSM-INIZCTEOSA-N	1	0	444.938	4.805	1	0		IJAFRO
Cc1nc2cnc(Oc3cccc4cccnc43)cc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000073311788	563172287	/nfs/dbraw/zinc/17/22/87/563172287.db2.gz	YKYQOSSJIYZLAT-IBGZPJMESA-N	1	0	443.551	4.561	1	0		IJAFRO
COc1cc2nc(N(C)C3CCCC3)nc(NCCCCC[NH+]3CCCC3)c2cc1OC	ZINC000095493503	563180639	/nfs/dbraw/zinc/18/06/39/563180639.db2.gz	WXENRLJCEOSCNM-UHFFFAOYSA-N	1	0	441.620	4.704	1	0		IJAFRO
Cc1cccc(-c2ccc([C@H]3[C@@H](CO)[N@@H+]4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)c1	ZINC000095874596	563194730	/nfs/dbraw/zinc/19/47/30/563194730.db2.gz	MGHIWFJUGJUZFB-WXFUMESZSA-N	1	0	432.530	4.839	1	0		IJAFRO
COc1ccccc1OCC[NH2+]C[C@H](O)CCCCOc1cccc2[nH]c3ccccc3c21	ZINC000096939441	563200035	/nfs/dbraw/zinc/20/00/35/563200035.db2.gz	YDPPGQYSCUFJMI-HXUWFJFHSA-N	1	0	448.563	4.908	1	0		IJAFRO
COc1ccc(CNc2ncnc3ccc(-c4ccccc4C[NH+](C)C)cc32)c(OC)c1	ZINC000004267848	562942972	/nfs/dbraw/zinc/94/29/72/562942972.db2.gz	PWSZCNDCXRAIBB-UHFFFAOYSA-N	1	0	428.536	4.988	1	0		IJAFRO
Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1	ZINC000008597680	562954053	/nfs/dbraw/zinc/95/40/53/562954053.db2.gz	IEOXLGGKSXSLSH-UHFFFAOYSA-N	1	0	441.934	4.971	1	0		IJAFRO
COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3ccc4sc(C)nc4c3)CC2)ccc1F	ZINC000011872377	562979631	/nfs/dbraw/zinc/97/96/31/562979631.db2.gz	HHFXDXMYGSIQJW-GOSISDBHSA-N	1	0	439.556	4.993	1	0		IJAFRO
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2(C[C@H]1C[NH+]1CCCC1)SCCS2	ZINC000013449255	562987097	/nfs/dbraw/zinc/98/70/97/562987097.db2.gz	SGEUQNMYMXIUJI-INIZCTEOSA-N	1	0	445.481	4.799	1	0		IJAFRO
CN1c2ccc(Cl)cc2C(c2ccccc2)=[NH+]C[C@@H]1CCNC(=O)c1ccccc1F	ZINC000013525985	562991639	/nfs/dbraw/zinc/99/16/39/562991639.db2.gz	CWIDSVJPJSNWJJ-IBGZPJMESA-N	1	0	435.930	4.955	1	0		IJAFRO
C[C@H]1CCCC[N@@H+]1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1	ZINC000013589392	562996405	/nfs/dbraw/zinc/99/64/05/562996405.db2.gz	AWAROEZGWJEDHM-FQEVSTJZSA-N	1	0	432.564	4.989	1	0		IJAFRO
C[C@@H]1CCC[C@H](C)[N@H+]1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1	ZINC000013589416	562996416	/nfs/dbraw/zinc/99/64/16/562996416.db2.gz	RGTJDTJZMPHCGP-BGYRXZFFSA-N	1	0	447.579	4.773	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]CCOc1ccccc1OCc1ccc(C)cc1	ZINC000013676647	563000570	/nfs/dbraw/zinc/00/05/70/563000570.db2.gz	HSFCJJXHMJXZAX-UHFFFAOYSA-N	1	0	437.536	4.639	1	0		IJAFRO
CC[NH+](CC)CCCn1cnc2ccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)cc21	ZINC000013684177	563001111	/nfs/dbraw/zinc/00/11/11/563001111.db2.gz	FNYQWZISNWTOFA-UHFFFAOYSA-N	1	0	428.584	4.948	1	0		IJAFRO
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2Cc1cccc(I)c1	ZINC000013740363	563003021	/nfs/dbraw/zinc/00/30/21/563003021.db2.gz	UYQXRUATKWUDKU-OREJSRFESA-N	1	0	433.333	4.721	1	0		IJAFRO
C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)c2ccccc21	ZINC000013758048	563004583	/nfs/dbraw/zinc/00/45/83/563004583.db2.gz	SVGQMUSTEVQPIA-QHCPKHFHSA-N	1	0	428.536	4.564	1	0		IJAFRO
Nc1c(Cl)cc([C@@H](O)C[NH2+]CCCCCOCCc2ccccc2)cc1C(F)(F)F	ZINC000013884971	563013790	/nfs/dbraw/zinc/01/37/90/563013790.db2.gz	BYWIOCSVZDRNDP-FQEVSTJZSA-N	1	0	444.925	4.994	1	0		IJAFRO
CC[C@H](C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1c[nH]c2ccc(C(N)=[NH2+])cc21	ZINC000014950762	563015681	/nfs/dbraw/zinc/01/56/81/563015681.db2.gz	MVIMTQPKTBMOAO-IBGZPJMESA-N	1	0	436.519	4.923	1	0		IJAFRO
CN(Cc1nccs1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1	ZINC000014960014	563016056	/nfs/dbraw/zinc/01/60/56/563016056.db2.gz	ZDRHZEOXRFDEEE-UHFFFAOYSA-N	1	0	435.593	4.501	3	0		IJAFRO
COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1	ZINC000015066021	563017457	/nfs/dbraw/zinc/01/74/57/563017457.db2.gz	LDEYAFBKDNJFOY-SFHVURJKSA-N	1	0	436.556	4.876	3	0		IJAFRO
Oc1cccc(CCC[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1	ZINC000022939417	563026684	/nfs/dbraw/zinc/02/66/84/563026684.db2.gz	TUOKYEFCFKERJK-UHFFFAOYSA-N	1	0	430.592	4.749	1	0		IJAFRO
COc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1NCC[NH+]1CCCC1	ZINC000026012494	563028487	/nfs/dbraw/zinc/02/84/87/563028487.db2.gz	LLMCRBAKWLVRLR-UHFFFAOYSA-N	1	0	438.355	4.527	1	0		IJAFRO
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@H]3C[NH+](C)C)sc2c1	ZINC000026283121	563030724	/nfs/dbraw/zinc/03/07/24/563030724.db2.gz	SOGUXRRGKRATRL-LSDHHAIUSA-N	1	0	442.972	4.647	1	0		IJAFRO
COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3cccc(Cl)c3)CC1)OCCC2	ZINC000027731157	563046221	/nfs/dbraw/zinc/04/62/21/563046221.db2.gz	MKYIRYPTDJPVTG-QFIPXVFZSA-N	1	0	430.976	4.573	1	0		IJAFRO
O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000027749492	563046725	/nfs/dbraw/zinc/04/67/25/563046725.db2.gz	DHJXRLMMADSDJP-HXUWFJFHSA-N	1	0	447.941	4.938	1	0		IJAFRO
CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccc(OCc3ccccc3)cc1)[C@@H](C)N2	ZINC000028106320	563050745	/nfs/dbraw/zinc/05/07/45/563050745.db2.gz	CATINXDHZCVFMD-OAHLLOKOSA-N	1	0	431.496	4.746	1	0		IJAFRO
CCOc1c(Br)cc(Cl)cc1C[NH2+]CCCNc1nc2ccccc2[nH]1	ZINC000028368342	563053685	/nfs/dbraw/zinc/05/36/85/563053685.db2.gz	OHZOOJAXIPTFRU-UHFFFAOYSA-N	1	0	437.769	4.969	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cccc(OC)c2C1	ZINC000028766547	563064073	/nfs/dbraw/zinc/06/40/73/563064073.db2.gz	XKPPLTZLRLJIEZ-OAQYLSRUSA-N	1	0	441.568	4.529	1	0		IJAFRO
CCOc1ccc(C(=O)OCCCC[N@H+](CC)[C@H]2CCc3cc(OC)ccc3C2)cc1	ZINC000028767024	563064210	/nfs/dbraw/zinc/06/42/10/563064210.db2.gz	LPXZTSOFHNAOSZ-QHCPKHFHSA-N	1	0	425.569	4.910	1	0		IJAFRO
Clc1ccc([C@](c2ccccc2)(c2ccc(CN3CC[NH2+]CC3)cc2)n2ccnc2)cc1	ZINC000029135568	563076248	/nfs/dbraw/zinc/07/62/48/563076248.db2.gz	JKLNTKMSELFPAF-MHZLTWQESA-N	1	0	442.994	4.782	1	0		IJAFRO
O=C(NCCC[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)Nc1cccc(-c2cnco2)c1	ZINC000029401127	563079233	/nfs/dbraw/zinc/07/92/33/563079233.db2.gz	JAMKOULMVDGACB-FQEVSTJZSA-N	1	0	436.531	4.947	1	0		IJAFRO
CSc1cccc2c1CCC(=O)N2CCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000029556495	563082103	/nfs/dbraw/zinc/08/21/03/563082103.db2.gz	BOVCXCSFEOUOPA-UHFFFAOYSA-N	1	0	430.017	4.553	1	0		IJAFRO
CN(C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C1CC[NH+](C)CC1	ZINC000033712470	563084611	/nfs/dbraw/zinc/08/46/11/563084611.db2.gz	SJGIIVIWRXOTLD-SEYXRHQNSA-N	1	0	440.547	4.851	1	0		IJAFRO
CCOc1ccc(C(=O)Nc2cc(Br)c3c(c2)C[NH2+]CC3)cc1C(F)(F)F	ZINC000034012903	563085353	/nfs/dbraw/zinc/08/53/53/563085353.db2.gz	SUELLYJDHPZTHF-UHFFFAOYSA-N	1	0	443.263	4.765	1	0		IJAFRO
FC(F)(F)c1cccc(N2CC[NH+](CCCN3CCc4c5ccccc5[nH]c4C3)CC2)c1	ZINC000036093026	563090898	/nfs/dbraw/zinc/09/08/98/563090898.db2.gz	AGWOUMXKBMIRJT-UHFFFAOYSA-N	1	0	442.529	4.757	1	0		IJAFRO
Cn1c(=O)nc(NC2CC[NH+](Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc21	ZINC000036126668	563091045	/nfs/dbraw/zinc/09/10/45/563091045.db2.gz	QDLQBKBQLRPJEG-UHFFFAOYSA-N	1	0	432.955	4.817	1	0		IJAFRO
CC[NH+](CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCC3CCCCC3)CC1=O)C2	ZINC000036126697	563091185	/nfs/dbraw/zinc/09/11/85/563091185.db2.gz	GMYLXTMMWJHQOZ-SANMLTNESA-N	1	0	425.661	4.500	1	0		IJAFRO
C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(Oc5ccccc5)ccc4c3=O)cn2)C1	ZINC000036351554	563093410	/nfs/dbraw/zinc/09/34/10/563093410.db2.gz	AXVWTTUGPPVVFI-LJQANCHMSA-N	1	0	427.504	4.788	1	0		IJAFRO
COc1ccc(CN2CC[NH+]([C@@H](c3ccc(C)cc3)[C@@H](O)c3ccc(C)cc3)CC2)cc1	ZINC000039239004	563098982	/nfs/dbraw/zinc/09/89/82/563098982.db2.gz	UJVHPRXCUOXYQR-NSOVKSMOSA-N	1	0	430.592	4.905	1	0		IJAFRO
CCC[N@H+](CCCCn1ccc2cccc(F)c21)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040409461	563101645	/nfs/dbraw/zinc/10/16/45/563101645.db2.gz	BJKBVFNZRMPFPS-SFHVURJKSA-N	1	0	441.522	4.514	1	0	in-vitro	IJAFRO
Cc1ccccc1C[NH+]1CCC(N2CCC(n3c4ccc(Cl)cc4[nH]c3=O)CC2)CC1	ZINC000040949669	563113707	/nfs/dbraw/zinc/11/37/07/563113707.db2.gz	FLALJSHQEQFXKG-UHFFFAOYSA-N	1	0	439.003	4.593	1	0		IJAFRO
CSc1ccccc1N1CC[NH+](CCCCCC(=O)N2CCc3ccccc3C2)CC1	ZINC000040952570	563114186	/nfs/dbraw/zinc/11/41/86/563114186.db2.gz	XAAGODSBJUUWCQ-UHFFFAOYSA-N	1	0	437.653	4.676	1	0		IJAFRO
COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CC[NH2+]CC1	ZINC000045191809	563123712	/nfs/dbraw/zinc/12/37/12/563123712.db2.gz	ILAIJMYYTPNPIN-UHFFFAOYSA-N	1	0	435.955	4.673	1	0		IJAFRO
COc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1CN1CCC[N@H+](C)CC1	ZINC000045193037	563123970	/nfs/dbraw/zinc/12/39/70/563123970.db2.gz	SQKDEYGYBAAGNO-UHFFFAOYSA-N	1	0	447.554	4.891	1	0		IJAFRO
COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc([C@@H]2CCC[N@H+](C)C2)c1	ZINC000045231057	563126212	/nfs/dbraw/zinc/12/62/12/563126212.db2.gz	NHHLHMPFLPKCHW-VEGGFIAOSA-N	1	0	429.358	4.919	1	0		IJAFRO
COc1ccc(NC(=O)[C@@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)cc1	ZINC000045355679	563132590	/nfs/dbraw/zinc/13/25/90/563132590.db2.gz	FZYMAUQRNZROJG-QFIPXVFZSA-N	1	0	431.517	4.953	1	0		IJAFRO
COc1cccc(NC(=O)[C@@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)c1	ZINC000045386923	563133920	/nfs/dbraw/zinc/13/39/20/563133920.db2.gz	COPFNINVTDIILJ-QFIPXVFZSA-N	1	0	431.517	4.953	1	0		IJAFRO
Cc1[nH]c(-c2ccccc2)cc1C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2C)CC1	ZINC000049033758	563136051	/nfs/dbraw/zinc/13/60/51/563136051.db2.gz	ZQHYSZHNEDNQGI-UHFFFAOYSA-N	1	0	444.623	4.939	1	0		IJAFRO
O=C(c1ccc(F)cc1)C1(c2ccccc2)CC[NH+]([C@@H]2Cc3ccccc3C[C@H]2O)CC1	ZINC000049068883	563137509	/nfs/dbraw/zinc/13/75/09/563137509.db2.gz	JYKKXZWIXQKXKL-CLJLJLNGSA-N	1	0	429.535	4.571	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3ccc(F)cc3)CC2)o1	ZINC000053276644	563141750	/nfs/dbraw/zinc/14/17/50/563141750.db2.gz	QTXOMIHNMOCASO-UHFFFAOYSA-N	1	0	436.575	4.735	1	0		IJAFRO
C[C@@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccc2ccccc2c1	ZINC000061902505	563147772	/nfs/dbraw/zinc/14/77/72/563147772.db2.gz	RPQMQURCAKLHKJ-NDEPHWFRSA-N	1	0	427.592	4.585	3	0		IJAFRO
CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@@H]([NH3+])Cc3ccccc3)cs2)nc1	ZINC000061905983	563148493	/nfs/dbraw/zinc/14/84/93/563148493.db2.gz	LEWNVLFXKJBTFV-NRFANRHFSA-N	1	0	443.576	4.796	3	0		IJAFRO
C[N@H+](CCc1ccccc1)[C@H](CCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000072138214	563164279	/nfs/dbraw/zinc/16/42/79/563164279.db2.gz	OUEYLNMWCLQSIB-XMMPIXPASA-N	1	0	430.548	4.572	3	0		IJAFRO
O=C(Nc1ccccc1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1cccnc1	ZINC000072179550	563166586	/nfs/dbraw/zinc/16/65/86/563166586.db2.gz	XFCYMZZCMMPFCX-UHFFFAOYSA-N	1	0	431.536	4.778	1	0		IJAFRO
Brc1ccc(-c2nc(CNC3CC[NH+](Cc4ccccc4)CC3)co2)cc1	ZINC000072186427	563168270	/nfs/dbraw/zinc/16/82/70/563168270.db2.gz	QZVQVTICKWNCBH-UHFFFAOYSA-N	1	0	426.358	4.858	1	0		IJAFRO
CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@]23Cc4ccc(O)cc4[C@]2(CC[N@H+](CC2CC2)C3)C1	ZINC000084617982	563174412	/nfs/dbraw/zinc/17/44/12/563174412.db2.gz	MLGNFOAOQAXJRD-RMIZOBSDSA-N	1	0	446.591	4.606	1	0		IJAFRO
Cc1ccc(NC(=O)Nc2cc3ccc(OC4CC[NH+](C)CC4)c(C)c3oc2=O)cc1C	ZINC000095581598	563187657	/nfs/dbraw/zinc/18/76/57/563187657.db2.gz	ZGMPCRBOUMHSBI-UHFFFAOYSA-N	1	0	435.524	4.835	1	0		IJAFRO
O=C(Nc1ccccc1)N1CCCC[N@@H+]2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1	ZINC000095873425	563194719	/nfs/dbraw/zinc/19/47/19/563194719.db2.gz	LRCSABNVZACIKY-QKDODKLFSA-N	1	0	441.575	4.810	1	0		IJAFRO
OC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCC[N@H+]12	ZINC000095876980	563194877	/nfs/dbraw/zinc/19/48/77/563194877.db2.gz	UUQMKBIMCFDWCV-VABKMULXSA-N	1	0	436.493	4.670	1	0		IJAFRO
COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[NH2+]C4)nc12	ZINC000096169840	563195466	/nfs/dbraw/zinc/19/54/66/563195466.db2.gz	UBKZBHKUADPBKN-UHFFFAOYSA-N	1	0	439.441	4.813	1	0		IJAFRO
O=C(NCc1ccccc1)[C@H](CCO)[NH+]1CCC(C(c2ccccc2)c2ccccc2)CC1	ZINC000096913526	563197898	/nfs/dbraw/zinc/19/78/98/563197898.db2.gz	GFJMOTDXBODBMP-MHZLTWQESA-N	1	0	442.603	4.598	1	0		IJAFRO
COc1c(O)ccc(CCC(=O)C[C@H](O)CCC2CCCC2)c1-c1ccc(C[NH3+])cc1	ZINC000085597485	291390675	/nfs/dbraw/zinc/39/06/75/291390675.db2.gz	ISHQXDHRWKGMAM-JOCHJYFZSA-N	1	0	425.569	4.750	1	0	biogenic,in-vitro	IJAFRO
CC[NH+](CC)CCOc1ccc(Nc2ncc3cc(-c4ccsc4)c(=O)n(C)c3n2)cc1	ZINC000000602048	562918720	/nfs/dbraw/zinc/91/87/20/562918720.db2.gz	ZBGUTTBTEIGLLQ-UHFFFAOYSA-N	1	0	449.580	4.521	1	0		IJAFRO
CN1Cc2ccccc2[C@@H](c2ccccc2)[NH+]=C1CCc1ccc(NS(C)(=O)=O)cc1	ZINC000003779568	562937700	/nfs/dbraw/zinc/93/77/00/562937700.db2.gz	PQXDMDKGGOCVLO-RUZDIDTESA-N	1	0	433.577	4.624	1	0		IJAFRO
COc1ccc2nccc([C@H]3CN(C4CC[NH+](CCCc5ccccc5)CC4)C(=O)O3)c2c1	ZINC000003948853	562939772	/nfs/dbraw/zinc/93/97/72/562939772.db2.gz	IIODDFVDNAPMCZ-AREMUKBSSA-N	1	0	445.563	4.834	1	0		IJAFRO
O=C(c1csnn1)N1CCC2(CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1	ZINC000003956283	562939973	/nfs/dbraw/zinc/93/99/73/562939973.db2.gz	XWQFNVMBBFVEFC-UHFFFAOYSA-N	1	0	432.593	4.646	1	0		IJAFRO
O=C(Nc1ccncc1)C1CC[NH+]([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1	ZINC000011524328	562978796	/nfs/dbraw/zinc/97/87/96/562978796.db2.gz	QHEDKNPREJQXOG-XMMPIXPASA-N	1	0	432.955	4.669	1	0		IJAFRO
CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1	ZINC000011996453	562980346	/nfs/dbraw/zinc/98/03/46/562980346.db2.gz	KWGNJDALCHJIRV-FQEVSTJZSA-N	1	0	430.976	4.886	1	0		IJAFRO
COc1cc2nc(N(C)C)c(C[NH2+]Cc3cccc4ccccc43)cc2c(OC)c1OC	ZINC000012127802	562980914	/nfs/dbraw/zinc/98/09/14/562980914.db2.gz	DNELOMWZIWYHFA-UHFFFAOYSA-N	1	0	431.536	4.770	1	0		IJAFRO
COc1ccc(CC[C@H](C)[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1	ZINC000012572661	562982786	/nfs/dbraw/zinc/98/27/86/562982786.db2.gz	RNVBPAYTVGGCEJ-NRFANRHFSA-N	1	0	436.596	4.796	3	0		IJAFRO
CC(C)OC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2C	ZINC000013440894	562986332	/nfs/dbraw/zinc/98/63/32/562986332.db2.gz	VQGZQBKAHKWBNQ-LDVJMBRRSA-N	1	0	429.507	4.874	1	0		IJAFRO
C[N@H+](CCCO)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1	ZINC000013524778	562991524	/nfs/dbraw/zinc/99/15/24/562991524.db2.gz	SATDRNPWLIWVOP-UHFFFAOYSA-N	1	0	448.401	4.934	1	0		IJAFRO
CN1c2ccc(Cl)cc2C(c2ccccc2)=[NH+]C[C@@H]1CCNC(=O)c1ccc(F)cc1	ZINC000013525991	562991627	/nfs/dbraw/zinc/99/16/27/562991627.db2.gz	FLRKSGDCJCTWFD-NRFANRHFSA-N	1	0	435.930	4.955	1	0		IJAFRO
CN1c2ccc(Cl)cc2C(c2ccccc2)=[NH+]C[C@H]1CCNC(=O)c1ccc(F)cc1	ZINC000013525993	562991657	/nfs/dbraw/zinc/99/16/57/562991657.db2.gz	FLRKSGDCJCTWFD-OAQYLSRUSA-N	1	0	435.930	4.955	1	0		IJAFRO
Cc1ccc(S(=O)(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCC[N@H+]5C)c4c3)CC2)cc1	ZINC000013553507	562992923	/nfs/dbraw/zinc/99/29/23/562992923.db2.gz	HYMUMQCDNRZVGH-HSZRJFAPSA-N	1	0	449.620	4.591	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1	ZINC000013586533	562995346	/nfs/dbraw/zinc/99/53/46/562995346.db2.gz	HNLISXDOJMLKAY-XMMPIXPASA-N	1	0	435.612	4.571	1	0		IJAFRO
CC(=O)c1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1	ZINC000013586545	562995380	/nfs/dbraw/zinc/99/53/80/562995380.db2.gz	NTIASQFANBLTMM-AREMUKBSSA-N	1	0	447.623	4.765	1	0		IJAFRO
O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1	ZINC000013731159	563001790	/nfs/dbraw/zinc/00/17/90/563001790.db2.gz	KAVXLKNTCZXGHC-UHFFFAOYSA-N	1	0	440.950	4.628	1	0		IJAFRO
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2Cc1ccc(I)cc1	ZINC000013740361	563003060	/nfs/dbraw/zinc/00/30/60/563003060.db2.gz	IEEFKHAHTJRPNR-OREJSRFESA-N	1	0	433.333	4.721	1	0		IJAFRO
C[NH+](C)CCn1cnc2c1cc1ncnc(Nc3cccc(Br)c3)c1c2Cl	ZINC000013746786	563003998	/nfs/dbraw/zinc/00/39/98/563003998.db2.gz	ZPJWMBTXUODZPM-UHFFFAOYSA-N	1	0	445.752	4.701	1	0		IJAFRO
O=C1N(CCCC[NH+]2CCN(c3csc4ccccc43)CC2)CSC12CCCC2	ZINC000013759429	563004808	/nfs/dbraw/zinc/00/48/08/563004808.db2.gz	RZEWAVWSTBUNFZ-UHFFFAOYSA-N	1	0	429.655	4.649	1	0		IJAFRO
COc1ccc(CC[NH2+]CC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC	ZINC000013780748	563006473	/nfs/dbraw/zinc/00/64/73/563006473.db2.gz	NUHIHKCIWRVFEA-HSZRJFAPSA-N	1	0	432.564	4.694	1	0		IJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OC(F)(F)F)c4)c3)cc12	ZINC000014961757	563016183	/nfs/dbraw/zinc/01/61/83/563016183.db2.gz	VXYDJXMHISGSDA-SFHVURJKSA-N	1	0	442.441	4.781	1	0		IJAFRO
O=C(Nc1ccccc1CN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(F)ccc1F	ZINC000022925899	563025978	/nfs/dbraw/zinc/02/59/78/563025978.db2.gz	HTUKJQJYEVCMKR-UHFFFAOYSA-N	1	0	436.506	4.927	1	0		IJAFRO
CCc1cc(OCc2ccc(-c3ccc(OC)cc3-c3nn[nH]n3)cc2)c2c([nH+]1)CCCC2	ZINC000026577453	563033829	/nfs/dbraw/zinc/03/38/29/563033829.db2.gz	IESGAEKHJLQYRM-UHFFFAOYSA-N	1	0	441.535	4.958	1	0		IJAFRO
CCC(=O)Nc1cc(C)c(C(=O)N2CCC([N@H+](C)CCc3ccccc3)CC2)c(Cl)c1	ZINC000026829662	563037101	/nfs/dbraw/zinc/03/71/01/563037101.db2.gz	INJNRDQOCDIKPB-UHFFFAOYSA-N	1	0	442.003	4.776	1	0		IJAFRO
COc1ccc(OC)c2c1C[C@H](O)[C@@H]([NH2+]CCCC(c1ccccc1)c1ccccc1)C2	ZINC000027713668	563045674	/nfs/dbraw/zinc/04/56/74/563045674.db2.gz	AFTNRQXGPGDAHQ-UIOOFZCWSA-N	1	0	431.576	4.734	1	0		IJAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)[C@H](C2=CCN(C(=O)OC(C)(C)C)C=C2)C1C(=O)OC	ZINC000027718273	563045753	/nfs/dbraw/zinc/04/57/53/563045753.db2.gz	KGTRVWWZAPIANW-QOJBNDRUSA-N	1	0	446.544	4.657	1	0		IJAFRO
C[NH+](C)CCCn1c2ccccc2c(C2=CC(=O)NC2=O)c1-c1cc2ccccc2s1	ZINC000027762765	563046985	/nfs/dbraw/zinc/04/69/85/563046985.db2.gz	PFAZIMNYEBJHOA-UHFFFAOYSA-N	1	0	429.545	4.515	1	0		IJAFRO
Cc1ccc(F)c(O[C@@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1	ZINC000028355936	563053369	/nfs/dbraw/zinc/05/33/69/563053369.db2.gz	IBLNFIMYVGZAFY-QHCPKHFHSA-N	1	0	425.548	4.908	1	0		IJAFRO
O=C(NCCC[NH2+]Cc1ccccc1OC(F)(F)F)Nc1ccc(C(F)(F)F)cc1	ZINC000028386613	563054271	/nfs/dbraw/zinc/05/42/71/563054271.db2.gz	APSLXGCJDDWMBA-UHFFFAOYSA-N	1	0	435.368	4.905	1	0		IJAFRO
CCCC(=O)N[C@@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21	ZINC000029038596	563071814	/nfs/dbraw/zinc/07/18/14/563071814.db2.gz	NDJMUWDIDQMYFY-HSZRJFAPSA-N	1	0	448.636	4.565	1	0		IJAFRO
[NH3+][C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1	ZINC000029389549	563078895	/nfs/dbraw/zinc/07/88/95/563078895.db2.gz	CZEMMCCUTSUYFU-ZWKOTPCHSA-N	1	0	430.392	4.899	1	0		IJAFRO
CCC[N@H+](CCCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000034801044	563087444	/nfs/dbraw/zinc/08/74/44/563087444.db2.gz	AWTICCZHEMZKBF-SFHVURJKSA-N	1	0	441.522	4.583	1	0		IJAFRO
Cc1cccc(C[NH+]2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1	ZINC000035325186	563089890	/nfs/dbraw/zinc/08/98/90/563089890.db2.gz	XZLJEIBXFOYRCP-UHFFFAOYSA-N	1	0	425.576	4.928	1	0		IJAFRO
COc1ccc([C@@H]2CNC(=O)C23CC[NH+]([C@@H]2CCCC[C@@H]2c2ccc(F)cc2)CC3)cc1	ZINC000038147543	563096342	/nfs/dbraw/zinc/09/63/42/563096342.db2.gz	YWOLKYQOHPVFSL-DSNGMDLFSA-N	1	0	436.571	4.856	1	0		IJAFRO
CC(C)(C)[NH2+]C[C@H](O)COc1cc(Cl)c(-c2nc(C(F)(F)F)c[nH]2)c(Cl)c1	ZINC000039241338	563098984	/nfs/dbraw/zinc/09/89/84/563098984.db2.gz	YNRDFRUTWMFCTH-VIFPVBQESA-N	1	0	426.266	4.530	1	0		IJAFRO
C[NH+](C)CCCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O	ZINC000040379980	563099575	/nfs/dbraw/zinc/09/95/75/563099575.db2.gz	XOQHABOYMCULJP-UHFFFAOYSA-N	1	0	447.922	4.656	1	0		IJAFRO
C[NH+](C)C12C[C@@H](OC(=O)CN3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2	ZINC000040592262	563105580	/nfs/dbraw/zinc/10/55/80/563105580.db2.gz	YKKIOWWYLWUABG-UOHAHCRKSA-N	1	0	432.608	4.676	1	0		IJAFRO
CNC(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2ccc(C(F)(F)F)cc2)n3C)ccn1	ZINC000040891668	563109916	/nfs/dbraw/zinc/10/99/16/563109916.db2.gz	CXFRHBLGAYVQFD-UHFFFAOYSA-N	1	0	441.413	4.883	1	0		IJAFRO
O=C1CC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)CN1	ZINC000040954345	563114464	/nfs/dbraw/zinc/11/44/64/563114464.db2.gz	RPIHNHCHUCLQRX-QHCPKHFHSA-N	1	0	427.386	4.509	1	0		IJAFRO
CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4cccc(Br)c4)[nH+]c3c2)ccn1	ZINC000042888191	563115902	/nfs/dbraw/zinc/11/59/02/563115902.db2.gz	KRBHCVMERVJTBS-UHFFFAOYSA-N	1	0	438.285	4.616	1	0		IJAFRO
C[NH2+]Cc1ccc([C@@H](C)Oc2cc(-c3cnc4ccccn43)sc2C(N)=O)c(Cl)c1	ZINC000043120119	563118757	/nfs/dbraw/zinc/11/87/57/563118757.db2.gz	UWXBLHZCFUXXQV-CYBMUJFWSA-N	1	0	440.956	4.675	1	0		IJAFRO
O=C(Nc1ccc2c(c1)CCN2[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccco1	ZINC000045227319	563125524	/nfs/dbraw/zinc/12/55/24/563125524.db2.gz	SZEGSVOIZFSBJT-FQEVSTJZSA-N	1	0	439.918	4.961	1	0		IJAFRO
COc1ccc2cc3[n+](cc2c1OC)CCc1cc(OC)c(OCc2ccccc2)cc1-3	ZINC000045284888	563128092	/nfs/dbraw/zinc/12/80/92/563128092.db2.gz	CZJVVCAZVXNIDV-UHFFFAOYSA-N	1	0	428.508	4.955	1	0		IJAFRO
O=C(Nc1ccc2c(c1)CCN2[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1)c1ccco1	ZINC000045334732	563131159	/nfs/dbraw/zinc/13/11/59/563131159.db2.gz	APKKFFOZTGMWRQ-JOCHJYFZSA-N	1	0	426.520	4.650	1	0		IJAFRO
Clc1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccncc4)CC3)c2-c2ccncn2)cc1	ZINC000049071216	563137806	/nfs/dbraw/zinc/13/78/06/563137806.db2.gz	IZRFLJUDLAUAAE-UHFFFAOYSA-N	1	0	430.943	4.962	1	0		IJAFRO
[NH3+]C(CO)(CO)CCc1ccc(-c2ccc(SCc3ccccc3)cc2)cc1Cl	ZINC000049087576	563137961	/nfs/dbraw/zinc/13/79/61/563137961.db2.gz	HQYWMCXDWDVPEV-UHFFFAOYSA-N	1	0	427.997	4.914	1	0		IJAFRO
O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cccc(C(F)(F)F)c1	ZINC000058512494	563143881	/nfs/dbraw/zinc/14/38/81/563143881.db2.gz	VKTPJBOTXNXDRU-HXUWFJFHSA-N	1	0	426.504	4.601	1	0		IJAFRO
CC(C)C[C@@H]([NH3+])c1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1	ZINC000061930099	563150580	/nfs/dbraw/zinc/15/05/80/563150580.db2.gz	ZITBWMCZNALKCN-QGZVFWFLSA-N	1	0	425.602	4.984	3	0		IJAFRO
O=C(Nc1ccccc1)c1c(-c2ccccc2)n(O)c2ccc(C(F)(F)F)cc2[n+]1=O	ZINC000064499089	563153780	/nfs/dbraw/zinc/15/37/80/563153780.db2.gz	CSBKHEJDBWUQAG-UHFFFAOYSA-O	1	0	426.374	4.731	1	0		IJAFRO
COc1ccccc1-c1cn2c(n1)nc(C)c(C[NH3+])c2-c1ccc(C(F)(F)F)c(F)c1	ZINC000064503785	563153890	/nfs/dbraw/zinc/15/38/90/563153890.db2.gz	VUEZMYBXEYQCHC-UHFFFAOYSA-N	1	0	430.405	4.997	1	0		IJAFRO
O=C(Nc1ccc(F)c(F)c1)c1cc2c(cccc2OCCC[NH2+]Cc2cccnc2)[nH]1	ZINC000064510505	563154001	/nfs/dbraw/zinc/15/40/01/563154001.db2.gz	ZAVPXPPEVNYYBQ-UHFFFAOYSA-N	1	0	436.462	4.652	1	0		IJAFRO
COc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)c(C[NH3+])c1	ZINC000066102062	563158457	/nfs/dbraw/zinc/15/84/57/563158457.db2.gz	HJJHPNDUMFXUSH-DEOSSOPVSA-N	1	0	427.552	4.505	1	0		IJAFRO
CC(C)Oc1ccc([C@H](c2cccnc2)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1	ZINC000072185057	563167973	/nfs/dbraw/zinc/16/79/73/563167973.db2.gz	BUAXOCYGADUUTM-HSZRJFAPSA-N	1	0	425.573	4.947	1	0		IJAFRO
O=C(c1cscn1)N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000072186102	563168179	/nfs/dbraw/zinc/16/81/79/563168179.db2.gz	WPSGSIGJHFRNKW-HXUWFJFHSA-N	1	0	446.498	4.541	1	0		IJAFRO
CCn1c2ccccc2c2cc(C[NH+]3CCC4(CC3)c3ccccc3[C@H](O)[C@@H]4O)ccc21	ZINC000073240832	563171299	/nfs/dbraw/zinc/17/12/99/563171299.db2.gz	ARCLLIFCIKHDHP-SVBPBHIXSA-N	1	0	426.560	4.756	1	0		IJAFRO
CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000073295008	563172075	/nfs/dbraw/zinc/17/20/75/563172075.db2.gz	HQCLXWHULZBHIQ-UHFFFAOYSA-N	1	0	431.588	4.659	1	0		IJAFRO
CC[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1	ZINC000084605247	563174269	/nfs/dbraw/zinc/17/42/69/563174269.db2.gz	SIRAFHSIIDFCTL-URXFXBBRSA-N	1	0	443.547	4.735	1	0		IJAFRO
Nc1sc2c(c1C(=O)NCc1cccc(C(F)(F)F)c1)CC[N@@H+](Cc1ccccc1)C2	ZINC000095539974	563180738	/nfs/dbraw/zinc/18/07/38/563180738.db2.gz	ZIZUNEVQCFJMRS-UHFFFAOYSA-N	1	0	445.510	4.837	1	0		IJAFRO
NC(=O)O[C@@H](CC[NH+]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1	ZINC000095580560	563187273	/nfs/dbraw/zinc/18/72/73/563187273.db2.gz	YEBNXUKBTYTFQY-IBGZPJMESA-N	1	0	441.881	4.708	1	0		IJAFRO
COc1cc(N2Cc3ccc(-c4ccccc4F)nc3C2=O)ccc1OCC[NH+]1CCCC1	ZINC000095588797	563189436	/nfs/dbraw/zinc/18/94/36/563189436.db2.gz	XBPMWPFDHYXWCS-UHFFFAOYSA-N	1	0	447.510	4.531	1	0		IJAFRO
Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)[N@@H+]4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)c1	ZINC000095874599	563194866	/nfs/dbraw/zinc/19/48/66/563194866.db2.gz	MGHIWFJUGJUZFB-SMIHKQSGSA-N	1	0	432.530	4.839	1	0		IJAFRO
CC(C)COc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CC[NH2+]CC5)nc23)c1	ZINC000096169799	563195434	/nfs/dbraw/zinc/19/54/34/563195434.db2.gz	NZAFXJFWKPERBO-UHFFFAOYSA-N	1	0	427.552	4.863	1	0		IJAFRO
O=C(N[C@H]1C2CC[NH+](CC2)[C@@H]1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1	ZINC000096173844	563196005	/nfs/dbraw/zinc/19/60/05/563196005.db2.gz	RUHFKYBMZVVZRM-RPBOFIJWSA-N	1	0	429.589	4.668	1	0		IJAFRO
COC(=O)[C@@H]1CCC[N@@H+]1CCCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C	ZINC000096271261	563196724	/nfs/dbraw/zinc/19/67/24/563196724.db2.gz	AGNFQCKJPUBONH-QFIPXVFZSA-N	1	0	449.547	4.955	1	0		IJAFRO
Cc1nc(-c2ccc(CC[NH+]3CCN(c4cnc5ccccc5n4)CC3)cc2)c(C)s1	ZINC000098082828	563200614	/nfs/dbraw/zinc/20/06/14/563200614.db2.gz	SQAPEPFNFMFWMG-UHFFFAOYSA-N	1	0	429.593	4.735	1	0		IJAFRO
COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]3CCCC[N@@H+]3[C@H]2C1	ZINC000014828688	571725518	/nfs/dbraw/zinc/72/55/18/571725518.db2.gz	RYMSMTOEKVDTDB-UEXGIBASSA-N	1	0	437.536	4.624	1	0	endogenous,in-man	IJAFRO
COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@@H]3CCCC[N@@H+]3[C@H]2C1	ZINC000014828692	571725607	/nfs/dbraw/zinc/72/56/07/571725607.db2.gz	RYMSMTOEKVDTDB-WFXMLNOXSA-N	1	0	437.536	4.624	1	0	endogenous,in-man	IJAFRO
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccc(O)cc2CC[C@@H]1[NH+]1CCCC1	ZINC000000607373	562918778	/nfs/dbraw/zinc/91/87/78/562918778.db2.gz	GMNAIMRDLRVMPS-GMAHTHKFSA-N	1	0	433.379	4.852	1	0		IJAFRO
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cn(-c3ccccc3)nc2-c2ccco2)C1C(=O)OC	ZINC000000624619	562918866	/nfs/dbraw/zinc/91/88/66/562918866.db2.gz	ZPAPGYULPDKHOF-VWXXCCROSA-N	1	0	433.464	4.553	1	0		IJAFRO
Oc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1	ZINC000001487008	562922225	/nfs/dbraw/zinc/92/22/25/562922225.db2.gz	GXLHMZKUDLOKOT-UHFFFAOYSA-N	1	0	431.471	4.569	1	0		IJAFRO
CN1Cc2ccc(NS(C)(=O)=O)cc2[C@@H](c2ccccc2)[NH+]=C1CCc1ccccc1	ZINC000003779571	562937677	/nfs/dbraw/zinc/93/76/77/562937677.db2.gz	NLCTZOGQDAXJMI-RUZDIDTESA-N	1	0	433.577	4.624	1	0		IJAFRO
Nc1c(Cl)cc([C@H](O)C[NH2+]CCCCCOCCc2ccccc2)cc1C(F)(F)F	ZINC000003783334	562937801	/nfs/dbraw/zinc/93/78/01/562937801.db2.gz	BYWIOCSVZDRNDP-HXUWFJFHSA-N	1	0	444.925	4.994	1	0		IJAFRO
CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccc(F)cc4)CC3)c(C)o2)cc1	ZINC000004143256	562942294	/nfs/dbraw/zinc/94/22/94/562942294.db2.gz	VHENOIKYYDCJNM-UHFFFAOYSA-N	1	0	435.543	4.880	3	0		IJAFRO
O=C(c1ccccc1)N1CCc2cc(O)ccc2[C@@H]1c1ccc(OCC[NH+]2CCCC2)cc1	ZINC000012353906	562981214	/nfs/dbraw/zinc/98/12/14/562981214.db2.gz	QNIDSCOWXYIJKG-MHZLTWQESA-N	1	0	442.559	4.655	1	0		IJAFRO
Cc1cc(Br)c2c(c1)[C@H]([NH2+]CCCNc1cc(=O)c3ccccc3[nH]1)CCN2	ZINC000013487802	562989558	/nfs/dbraw/zinc/98/95/58/562989558.db2.gz	ZPSIVYGZEXJFJH-GOSISDBHSA-N	1	0	441.373	4.960	1	0		IJAFRO
COc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)c2ccccc21	ZINC000013553240	562992798	/nfs/dbraw/zinc/99/27/98/562992798.db2.gz	UBVYCNOXGQYSRQ-QGZVFWFLSA-N	1	0	439.353	4.615	1	0		IJAFRO
C[C@@H]1CC[C@@H](C)[NH+]1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1	ZINC000013589406	562996411	/nfs/dbraw/zinc/99/64/11/562996411.db2.gz	BQAYROGJKLQKEO-WOJBJXKFSA-N	1	0	432.564	4.988	1	0		IJAFRO
Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc([C@@H](O)C(C)C)cc3c2n1CCC3	ZINC000013740426	563003095	/nfs/dbraw/zinc/00/30/95/563003095.db2.gz	DZJOJNOUNUUCOM-NDEPHWFRSA-N	1	0	446.639	4.653	1	0		IJAFRO
COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)c3ccccc32)cc1	ZINC000013758041	563004632	/nfs/dbraw/zinc/00/46/32/563004632.db2.gz	DLZVHVLNGKHMAT-HSZRJFAPSA-N	1	0	443.547	4.991	1	0		IJAFRO
C[N@H+](CCCCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12	ZINC000013758588	563004703	/nfs/dbraw/zinc/00/47/03/563004703.db2.gz	OEVXEDITFCYJDW-UHFFFAOYSA-N	1	0	428.939	4.660	1	0		IJAFRO
Cn1c2ccc(CCCC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2sc1=O	ZINC000013779688	563006218	/nfs/dbraw/zinc/00/62/18/563006218.db2.gz	WZKBBAOFHGSLQZ-UHFFFAOYSA-N	1	0	449.542	4.764	1	0		IJAFRO
CCC[N@H+]1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)CC(C)C)CC1	ZINC000013830518	563011049	/nfs/dbraw/zinc/01/10/49/563011049.db2.gz	DFTKBCGXQADCLI-GOSISDBHSA-N	1	0	427.452	4.900	1	0		IJAFRO
Fc1ccc(C(OCCN2CC[NH+](CCc3ccccc3)CC2)c2ccc(F)cc2)cc1	ZINC000022925352	563025784	/nfs/dbraw/zinc/02/57/84/563025784.db2.gz	AASZEODWFQQIRF-UHFFFAOYSA-N	1	0	436.546	4.931	1	0		IJAFRO
Fc1ccc(C(OCC[NH+]2CCN(C/C=C/c3cccnc3)CC2)c2ccc(F)cc2)cc1	ZINC000022938612	563026591	/nfs/dbraw/zinc/02/65/91/563026591.db2.gz	FNQVTBNCYVCVGY-DUXPYHPUSA-N	1	0	449.545	4.797	1	0		IJAFRO
COc1ccc([S@@](=O)c2ccc([C@H](C)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1	ZINC000022944609	563026933	/nfs/dbraw/zinc/02/69/33/563026933.db2.gz	YQGXZPSEAUHNIN-WENCNXQZSA-N	1	0	426.626	4.873	1	0		IJAFRO
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3C[NH+](C)C)sc2c1	ZINC000026283129	563030728	/nfs/dbraw/zinc/03/07/28/563030728.db2.gz	SOGUXRRGKRATRL-HUUCEWRRSA-N	1	0	442.972	4.647	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@@H]1C(=O)c2ccccc2C[C@@H]1c1ccccc1	ZINC000026815602	563036751	/nfs/dbraw/zinc/03/67/51/563036751.db2.gz	PDAVXRWJDNCAQA-PKTZIBPZSA-N	1	0	431.532	4.511	1	0		IJAFRO
Cc1n(Cc2ccccc2)cc[n+]1CCCCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000026823173	563037013	/nfs/dbraw/zinc/03/70/13/563037013.db2.gz	YCKSXONWBYRMPL-UHFFFAOYSA-O	1	0	438.595	4.774	1	0		IJAFRO
O=C1c2cccc(F)c2C(=O)N1CCCCC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1	ZINC000027331801	563041830	/nfs/dbraw/zinc/04/18/30/563041830.db2.gz	FVZDREXTEDTXIU-UHFFFAOYSA-N	1	0	431.511	4.863	1	0		IJAFRO
COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3ccccc3C)CC1)OCC(C)(C)C2	ZINC000027735248	563046341	/nfs/dbraw/zinc/04/63/41/563046341.db2.gz	ZSOADGQPEJERHP-DEOSSOPVSA-N	1	0	438.612	4.865	1	0		IJAFRO
O=C(c1ccco1)N(c1cccc2nsnc21)C1CC[NH+](CCc2ccccc2)CC1	ZINC000027741750	563046588	/nfs/dbraw/zinc/04/65/88/563046588.db2.gz	XOGQJSBDRMJUKS-UHFFFAOYSA-N	1	0	432.549	4.638	1	0		IJAFRO
O=C(NCCC[N@@H+]1CCN2c3ccccc3CC[C@H]2C1)c1ccc(-c2ccccc2)cc1	ZINC000028344328	563052958	/nfs/dbraw/zinc/05/29/58/563052958.db2.gz	BBOSHAAVWWFNEP-SANMLTNESA-N	1	0	425.576	4.611	1	0		IJAFRO
O=C(N[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1	ZINC000028525495	563056761	/nfs/dbraw/zinc/05/67/61/563056761.db2.gz	RUHFKYBMZVVZRM-JWQCQUIFSA-N	1	0	429.589	4.668	1	0		IJAFRO
COc1ccc(N2Cc3cccc(C(F)(F)F)c3C2=O)cc1OCC[NH+]1CCC(C)CC1	ZINC000028819755	563065169	/nfs/dbraw/zinc/06/51/69/563065169.db2.gz	APEDIPJHWNTQGP-UHFFFAOYSA-N	1	0	448.485	4.985	1	0		IJAFRO
CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1ccccc1Cl	ZINC000029042414	563072154	/nfs/dbraw/zinc/07/21/54/563072154.db2.gz	DPPAACSODVIBIE-QPPBQGQZSA-N	1	0	426.004	4.647	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@H]1C[C@@H](c2ccccc2)c2ccccc2C1=O	ZINC000029390539	563078950	/nfs/dbraw/zinc/07/89/50/563078950.db2.gz	UZPNDQMXOWZSMG-OFNKIYASSA-N	1	0	431.532	4.707	1	0		IJAFRO
CN(C[C@@H](CC[NH+]1CCC(CO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1	ZINC000029558081	563082164	/nfs/dbraw/zinc/08/21/64/563082164.db2.gz	NVGPFHRBRMFXCQ-OAQYLSRUSA-N	1	0	449.422	4.944	1	0		IJAFRO
COc1ccc(-n2cc3[nH]c(C)c(C[NH3+])c(-c4ccc(Cl)cc4Cl)c-3c2=O)cc1	ZINC000034804229	563087894	/nfs/dbraw/zinc/08/78/94/563087894.db2.gz	IKUISOBQXBKHEE-UHFFFAOYSA-N	1	0	428.319	4.992	1	0		IJAFRO
C[C@H]1C[N@H+](C)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCCC3)C[C@@]1(c1cccc(O)c1)C2	ZINC000035033884	563088865	/nfs/dbraw/zinc/08/88/65/563088865.db2.gz	HFKAYLWXRMMLEJ-SLGSNKHJSA-N	1	0	432.608	4.761	1	0		IJAFRO
C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(F)cc5)ccc4c3=O)cn2)C1	ZINC000036351557	563093331	/nfs/dbraw/zinc/09/33/31/563093331.db2.gz	WSQVGZGGLQLIDC-IBGZPJMESA-N	1	0	445.494	4.927	1	0		IJAFRO
C[NH+](C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccccc1	ZINC000039246789	563099109	/nfs/dbraw/zinc/09/91/09/563099109.db2.gz	OXNRPSGQEPITJC-JOCHJYFZSA-N	1	0	441.966	4.965	1	0		IJAFRO
Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CC[NH+](CC5CC5)CC4)ccn32)n1	ZINC000040428682	563103046	/nfs/dbraw/zinc/10/30/46/563103046.db2.gz	UWHHIPRAZDUCHP-UHFFFAOYSA-N	1	0	442.542	4.769	1	0		IJAFRO
CCN1CCN(Oc2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2OC)CC1	ZINC000040567158	563105037	/nfs/dbraw/zinc/10/50/37/563105037.db2.gz	VNAJGUDWCHCOPK-UHFFFAOYSA-N	1	0	437.584	4.927	1	0		IJAFRO
COc1cc2nc(NCC[NH+]3CCCCC3)nc(NC3CCCCCC3)c2cc1OC	ZINC000040846157	563107431	/nfs/dbraw/zinc/10/74/31/563107431.db2.gz	HCVJTXQCBDTBGI-UHFFFAOYSA-N	1	0	427.593	4.680	1	0		IJAFRO
Cc1nnc(C(C)C)n1C1CC[NH+]([C@@H](C)C[C@H](NC(=O)CC2CC2)c2ccccc2)CC1	ZINC000040900043	563110937	/nfs/dbraw/zinc/11/09/37/563110937.db2.gz	XKUZAOLNXRKIRL-CYFREDJKSA-N	1	0	437.632	4.783	1	0		IJAFRO
O[C@H](CSc1ccccc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000043012044	563116542	/nfs/dbraw/zinc/11/65/42/563116542.db2.gz	OZJCUEXWIZYSQJ-INIZCTEOSA-N	1	0	445.934	4.795	1	0		IJAFRO
CCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1	ZINC000045187122	563122769	/nfs/dbraw/zinc/12/27/69/563122769.db2.gz	GPEXLZDZZIBBFJ-UHFFFAOYSA-N	1	0	443.591	4.915	1	0		IJAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)nc(NCc2ccccc2C)[nH+]1	ZINC000045192046	563123842	/nfs/dbraw/zinc/12/38/42/563123842.db2.gz	IVWXMXVNQLZDRF-DEOSSOPVSA-N	1	0	443.595	4.788	1	0		IJAFRO
Cc1ccc(CCOCCCCC[NH2+]C[C@@H](O)c2cc(Cl)c(N)c(Cl)c2)cc1	ZINC000045192063	563123863	/nfs/dbraw/zinc/12/38/63/563123863.db2.gz	FEISCFLIQVSWMI-OAQYLSRUSA-N	1	0	425.400	4.937	1	0		IJAFRO
Brc1cc(C[NH2+]CCCNc2nc3ccccc3[nH]2)sc1Br	ZINC000045196284	563124610	/nfs/dbraw/zinc/12/46/10/563124610.db2.gz	NAPURCVWDONFRP-UHFFFAOYSA-N	1	0	444.196	4.741	1	0		IJAFRO
COc1ccc(-c2cccc(NC(=O)c3cccc(F)c3)c2)cc1CN1CCC[N@H+](C)CC1	ZINC000045227813	563125624	/nfs/dbraw/zinc/12/56/24/563125624.db2.gz	JOEYPYYYLJFBFN-UHFFFAOYSA-N	1	0	447.554	4.891	1	0		IJAFRO
Nc1c(Cl)cc([C@@H](O)C[NH2+]CCCCCCOCCc2ccc(O)cc2)cc1Cl	ZINC000045231252	563126230	/nfs/dbraw/zinc/12/62/30/563126230.db2.gz	VTIRRCYHYAAINK-NRFANRHFSA-N	1	0	441.399	4.724	1	0		IJAFRO
CC[C@H](C)CNC(=O)c1ccnc(-c2cccc(CN3CCC([NH+]4CCCC4)CC3)c2)c1	ZINC000045301611	563129313	/nfs/dbraw/zinc/12/93/13/563129313.db2.gz	NQEBOUWYZPAKSA-NRFANRHFSA-N	1	0	434.628	4.585	1	0		IJAFRO
OC1(c2ccc(Br)cc2)CC[NH+](Cc2c[nH]c3cccc(OCCF)c23)CC1	ZINC000053230306	563141365	/nfs/dbraw/zinc/14/13/65/563141365.db2.gz	ORBZGAXKHHPTOD-UHFFFAOYSA-N	1	0	447.348	4.762	1	0		IJAFRO
CCOc1cc(C[NH+]2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1-c1ccc(F)cc1	ZINC000058506246	563143730	/nfs/dbraw/zinc/14/37/30/563143730.db2.gz	GTUKZINNLXNLAX-UHFFFAOYSA-N	1	0	447.554	4.989	1	0		IJAFRO
CS(=O)(=O)c1ccc(Nc2nc([C@@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)cc1	ZINC000061904509	563148143	/nfs/dbraw/zinc/14/81/43/563148143.db2.gz	RYNFYQXQEUYTFI-INIZCTEOSA-N	1	0	441.500	4.552	3	0		IJAFRO
O=C(N[C@H](c1ccc(Cl)cc1)c1cnccn1)C1CC[NH+](CCCc2ccccc2)CC1	ZINC000061926095	563149826	/nfs/dbraw/zinc/14/98/26/563149826.db2.gz	DSPLUNIJUHDDJM-RUZDIDTESA-N	1	0	448.998	4.680	3	0		IJAFRO
Fc1ccc(OCc2nc3c(cccc3OCCC[NH2+]Cc3cccnc3)o2)c(F)c1F	ZINC000064553384	563155846	/nfs/dbraw/zinc/15/58/46/563155846.db2.gz	PHHRKRGXWSEXFZ-UHFFFAOYSA-N	1	0	443.425	4.778	1	0		IJAFRO
CC[NH+]1CCN(c2cn(S(=O)(=O)c3ccc(C(C)C)cc3)c3ccc(Cl)cc23)CC1	ZINC000066251084	563159878	/nfs/dbraw/zinc/15/98/78/563159878.db2.gz	LUSMKIZMIYMAQK-UHFFFAOYSA-N	1	0	446.016	4.797	1	0		IJAFRO
Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc(NC(=O)C(C)(C)C)c3)CC2)n1	ZINC000066259960	563160659	/nfs/dbraw/zinc/16/06/59/563160659.db2.gz	AZUIXALAIAVCPH-UHFFFAOYSA-N	1	0	430.596	4.893	1	0		IJAFRO
C[C@H](C[NH2+]C(C)(C)C)NC[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072181100	563167042	/nfs/dbraw/zinc/16/70/42/563167042.db2.gz	CSMDGUGEATZDRM-ABAIWWIYSA-N	1	0	437.428	4.672	1	0		IJAFRO
COc1ccccc1N1CC[NH+](C[C@@H]2CCC(c3ccccc3)(c3ccccc3)O2)CC1	ZINC000073279381	563171742	/nfs/dbraw/zinc/17/17/42/563171742.db2.gz	DKZVZJLNJPUMKG-VWLOTQADSA-N	1	0	428.576	4.940	1	0		IJAFRO
Cc1nc2cnc(Oc3ccc(Cl)cc3F)cc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000073296140	563172083	/nfs/dbraw/zinc/17/20/83/563172083.db2.gz	ONJYCUBPRIPKCO-INIZCTEOSA-N	1	0	444.938	4.805	1	0		IJAFRO
Cc1nc2ccc(Oc3ccc4ncsc4c3)nc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000073312592	563172339	/nfs/dbraw/zinc/17/23/39/563172339.db2.gz	GDNCYKYFCSUYEC-KRWDZBQOSA-N	1	0	449.580	4.622	1	0		IJAFRO
Cc1cnc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)nc1Nc1ccc(F)c(Cl)c1	ZINC000084604880	563174259	/nfs/dbraw/zinc/17/42/59/563174259.db2.gz	WJLWVXDGXZCYGK-UHFFFAOYSA-N	1	0	440.954	4.812	1	0		IJAFRO
CCOc1ccc2cc(-c3nn(CCC4CC[NH+](CC)CC4)c4ncnc(N)c34)ccc2c1	ZINC000084690686	563176396	/nfs/dbraw/zinc/17/63/96/563176396.db2.gz	ZOBZQGWSDZUUFD-UHFFFAOYSA-N	1	0	444.583	4.749	1	0		IJAFRO
O[C@@H](CSc1ccccc1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1	ZINC000084709572	563177212	/nfs/dbraw/zinc/17/72/12/563177212.db2.gz	PXGKXIYVGXYYRY-RUZDIDTESA-N	1	0	433.617	4.788	1	0		IJAFRO
CC1=C(CC(=O)NCC[NH+](C)C)c2cc(F)ccc2/C1=C\c1ccc(Br)cc1	ZINC000084742535	563179288	/nfs/dbraw/zinc/17/92/88/563179288.db2.gz	XDNXUSMNQOXOOV-NDENLUEZSA-N	1	0	443.360	4.984	1	0		IJAFRO
CCCN(CC[N@H+](CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1	ZINC000095561544	563182412	/nfs/dbraw/zinc/18/24/12/563182412.db2.gz	DTBWPACMEMXXSN-ZEQRLZLVSA-N	1	0	436.640	4.937	1	0		IJAFRO
O=C(NCC1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1)c1cccc(F)c1	ZINC000095579598	563187035	/nfs/dbraw/zinc/18/70/35/563187035.db2.gz	QIFRQMPXCDDULY-UHFFFAOYSA-N	1	0	425.331	4.653	1	0		IJAFRO
CCOC(=O)C1=C(c2ccccc2)CC[N@@H+](C2CCN(C(=O)c3c(C)cccc3C)CC2)C1	ZINC000095593074	563190657	/nfs/dbraw/zinc/19/06/57/563190657.db2.gz	XGIUIURNWCLFNT-UHFFFAOYSA-N	1	0	446.591	4.631	1	0		IJAFRO
O=C(NCc1ccccc1)[C@@H](CCO)[NH+]1CCC(C(c2ccccc2)c2ccccc2)CC1	ZINC000096913524	563197891	/nfs/dbraw/zinc/19/78/91/563197891.db2.gz	GFJMOTDXBODBMP-HHHXNRCGSA-N	1	0	442.603	4.598	1	0		IJAFRO
COCC[NH2+]Cc1c2ccccc2n(C)c1-c1nnc(SC(C)C)n1-c1ccccc1	ZINC000096933314	563199036	/nfs/dbraw/zinc/19/90/36/563199036.db2.gz	LEKGAGCVGMTBKL-UHFFFAOYSA-N	1	0	435.597	4.663	1	0		IJAFRO
O=C(NC(=S)NCCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000000605676	562918748	/nfs/dbraw/zinc/91/87/48/562918748.db2.gz	ICVGWSBZYSPZFV-UHFFFAOYSA-N	1	0	449.542	4.612	1	0		IJAFRO
Cc1ccc2nc(CC[NH2+]CCCO)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000003818230	562938752	/nfs/dbraw/zinc/93/87/52/562938752.db2.gz	DGOSBQFZHGXKLM-UHFFFAOYSA-N	1	0	435.612	4.603	1	0		IJAFRO
Cc1cc(C(=O)Nc2ccc(C3=[NH+]CCN3C)cc2F)n(-c2cc3ccccc3cc2F)n1	ZINC000003949173	562939775	/nfs/dbraw/zinc/93/97/75/562939775.db2.gz	XBCIKUZXKQMGHW-UHFFFAOYSA-N	1	0	445.473	4.556	1	0		IJAFRO
O=S(=O)(c1ccccc1)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1	ZINC000003955747	562939865	/nfs/dbraw/zinc/93/98/65/562939865.db2.gz	XDMRVEIBFNTEJA-UHFFFAOYSA-N	1	0	432.589	4.563	1	0		IJAFRO
O=C(c1csnn1)N1CCC2(CC1)CC[NH+](C(c1ccccc1)c1ccccc1)CC2	ZINC000003956173	562939985	/nfs/dbraw/zinc/93/99/85/562939985.db2.gz	DFSRVFCVJDNSFS-UHFFFAOYSA-N	1	0	432.593	4.646	1	0		IJAFRO
O=c1cc(-c2cccc(F)c2)oc2ccc(OCCCCCC[NH+]3CCC(O)CC3)cc12	ZINC000013454421	562987597	/nfs/dbraw/zinc/98/75/97/562987597.db2.gz	XPPJXWWWTLEKQE-UHFFFAOYSA-N	1	0	439.527	4.995	1	0		IJAFRO
O=C(CCCCC[NH+]1CCN(c2nc3ccccc3o2)CC1)N[C@@H]1CCCc2ccccc21	ZINC000013586537	562995289	/nfs/dbraw/zinc/99/52/89/562995289.db2.gz	WDQWEYWETMABFZ-HSZRJFAPSA-N	1	0	446.595	4.704	1	0		IJAFRO
O=C(CCCCC[NH+]1CCN(c2noc3ccccc32)CC1)N[C@H]1CCCc2ccccc21	ZINC000013586536	562995296	/nfs/dbraw/zinc/99/52/96/562995296.db2.gz	ISEOJESJFBLHJX-DEOSSOPVSA-N	1	0	446.595	4.704	1	0		IJAFRO
[NH3+]C1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1	ZINC000013766188	563005618	/nfs/dbraw/zinc/00/56/18/563005618.db2.gz	CZXNACPIFMZJFW-QNAFOZIXSA-N	1	0	445.692	4.778	1	0		IJAFRO
COc1c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCC2)cc(Br)c2ccccc21	ZINC000013862881	563013212	/nfs/dbraw/zinc/01/32/12/563013212.db2.gz	KRQFTVXGLAIKHZ-MRXNPFEDSA-N	1	0	431.374	4.748	1	0		IJAFRO
Oc1ccccc1/C=C/CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1	ZINC000022939393	563026682	/nfs/dbraw/zinc/02/66/82/563026682.db2.gz	MHVVFWWUGMEQPT-OQLLNIDSSA-N	1	0	428.576	4.829	1	0		IJAFRO
CCOC(=O)NCCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1	ZINC000026253505	563030196	/nfs/dbraw/zinc/03/01/96/563030196.db2.gz	OUIVTLSDYIXKFW-FYYLOGMGSA-N	1	0	429.511	4.801	1	0		IJAFRO
NC(=O)c1ccc2c(c1)CCO[C@@H]2CC[N@H+]1CC=C(c2ccc3cc(F)ccc3c2)CC1	ZINC000026491338	563032565	/nfs/dbraw/zinc/03/25/65/563032565.db2.gz	OKKGMDDMZPMRPO-AREMUKBSSA-N	1	0	430.523	4.871	1	0		IJAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(Cc1ccccc1)c(-c1ccccc1)c2=O	ZINC000027103073	563039824	/nfs/dbraw/zinc/03/98/24/563039824.db2.gz	WFKOLKQGJDPGNN-JOCHJYFZSA-N	1	0	443.543	4.789	1	0		IJAFRO
CCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccc(S(N)(=O)=O)cc1	ZINC000027997098	563049159	/nfs/dbraw/zinc/04/91/59/563049159.db2.gz	DKFPOPWNCFYEIU-UHFFFAOYSA-N	1	0	443.592	4.956	1	0		IJAFRO
CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CC[NH+](CCc2ccccc2)CC1	ZINC000028094789	563050422	/nfs/dbraw/zinc/05/04/22/563050422.db2.gz	NRJDMTIMIPKSGW-UHFFFAOYSA-N	1	0	438.568	4.680	1	0		IJAFRO
O=C(CSc1nc2ccccc2s1)NC1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000028235877	563051993	/nfs/dbraw/zinc/05/19/93/563051993.db2.gz	ZOSLWYPGKZWGQK-UHFFFAOYSA-N	1	0	432.014	4.823	1	0		IJAFRO
Cc1cc(F)ccc1O[C@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C	ZINC000028336438	563052734	/nfs/dbraw/zinc/05/27/34/563052734.db2.gz	MDCJHLUPHKBLLO-HSZRJFAPSA-N	1	0	425.548	4.908	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cccc(OC)c2C1	ZINC000028766549	563064106	/nfs/dbraw/zinc/06/41/06/563064106.db2.gz	XKPPLTZLRLJIEZ-NRFANRHFSA-N	1	0	441.568	4.529	1	0		IJAFRO
CCCC(=O)N[C@H]1CCc2cc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)ccc21	ZINC000029038737	563071780	/nfs/dbraw/zinc/07/17/80/563071780.db2.gz	KVDPUCCGORKFOD-QHCPKHFHSA-N	1	0	448.636	4.565	1	0		IJAFRO
CCCC(=O)N[C@@H]1CCc2cc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)ccc21	ZINC000029038735	563071834	/nfs/dbraw/zinc/07/18/34/563071834.db2.gz	KVDPUCCGORKFOD-HSZRJFAPSA-N	1	0	448.636	4.565	1	0		IJAFRO
C[C@H](Nc1cc(Nc2nccc(-c3ccc(-c4nn[nH]n4)cc3)n2)cc[nH+]1)c1ccccc1	ZINC000029126482	563074643	/nfs/dbraw/zinc/07/46/43/563074643.db2.gz	UEUYEHKEXODDCI-INIZCTEOSA-N	1	0	435.495	4.635	1	0		IJAFRO
COc1c2ccoc2c(OC)c(OCC[NH+]2CCCCC2)c1NC(=O)Nc1ccccc1	ZINC000029404643	563079467	/nfs/dbraw/zinc/07/94/67/563079467.db2.gz	HMAKCLNYDHJFPX-UHFFFAOYSA-N	1	0	439.512	4.959	1	0		IJAFRO
O=S(=O)(c1ccc2ccccc2c1)n1ccc2ccc(N3CC[N@@H+]4CCCC[C@@H]4C3)cc21	ZINC000029416979	563080096	/nfs/dbraw/zinc/08/00/96/563080096.db2.gz	WGXKWEPWWSGXOS-XMMPIXPASA-N	1	0	445.588	4.706	1	0		IJAFRO
COc1ccc(C2([C@@H]3c4cc(OC)c(OC)cc4CC[N@H+]3C)SCCCS2)cc1O	ZINC000031871039	563083595	/nfs/dbraw/zinc/08/35/95/563083595.db2.gz	QYICIXLISYZRKO-QFIPXVFZSA-N	1	0	447.622	4.670	1	0		IJAFRO
COc1ccc(CN2CC[NH+]([C@H](c3ccc(C)cc3)[C@@H](O)c3ccc(C)cc3)CC2)cc1	ZINC000039239005	563098999	/nfs/dbraw/zinc/09/89/99/563098999.db2.gz	UJVHPRXCUOXYQR-IZLXSDGUSA-N	1	0	430.592	4.905	1	0		IJAFRO
CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4cccc(C(F)(F)F)c4)[nH+]c3c2)ccn1	ZINC000040406993	563101419	/nfs/dbraw/zinc/10/14/19/563101419.db2.gz	ANGSQGHXKXNCNG-UHFFFAOYSA-N	1	0	427.386	4.872	1	0		IJAFRO
COc1ccc(CN2C[C@H]3[C@@H](c4ccccc4)CC(=O)[C@@H]2C[N@@H+]3Cc2ccccc2)cc1	ZINC000040428890	563103126	/nfs/dbraw/zinc/10/31/26/563103126.db2.gz	SOHVHJMUWSXPCJ-PVHODMMVSA-N	1	0	426.560	4.507	1	0		IJAFRO
CC[N@H+](CCCCCCCC(F)F)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1	ZINC000040620254	563105626	/nfs/dbraw/zinc/10/56/26/563105626.db2.gz	LCTQVCAUJPMWMJ-FQEVSTJZSA-N	1	0	434.593	4.799	1	0		IJAFRO
COc1ccc(N2CCc3c2[nH+]ccc3-n2ccc(-c3nccs3)n2)c(C(F)(F)F)n1	ZINC000040861974	563108173	/nfs/dbraw/zinc/10/81/73/563108173.db2.gz	IDSWSQWOLYVBMH-UHFFFAOYSA-N	1	0	444.442	4.507	1	0		IJAFRO
COc1ccc2c(c[n+]3c(c2OCc2ccccc2)-c2cc4c(cc2CC3)OCO4)c1OC	ZINC000043070139	563118008	/nfs/dbraw/zinc/11/80/08/563118008.db2.gz	POBSTOMRFPMGLR-UHFFFAOYSA-N	1	0	442.491	4.675	1	0		IJAFRO
COc1ccccc1CCNc1nc(N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc(C)[nH+]1	ZINC000045195280	563124457	/nfs/dbraw/zinc/12/44/57/563124457.db2.gz	QJGYRBVQARGXLU-QFIPXVFZSA-N	1	0	447.583	4.914	1	0		IJAFRO
O=C(c1ccncn1)N1CCC2(CC1)CC[NH+](Cc1ccccc1Oc1ccccc1)CC2	ZINC000045245498	563126585	/nfs/dbraw/zinc/12/65/85/563126585.db2.gz	XYXAYUQJAMPEPZ-UHFFFAOYSA-N	1	0	442.563	4.787	1	0		IJAFRO
Cc1ccc(C(=O)Nc2cccc(CN3CCC[N@H+](Cc4ccc(O)cc4)CC3)c2)s1	ZINC000045302383	563129503	/nfs/dbraw/zinc/12/95/03/563129503.db2.gz	DICHOYFKUVMGRZ-UHFFFAOYSA-N	1	0	435.593	4.722	1	0		IJAFRO
Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCC[NH+]1CCCCC1	ZINC000045317562	563129930	/nfs/dbraw/zinc/12/99/30/563129930.db2.gz	OKHNQRTUKIHUSA-UHFFFAOYSA-N	1	0	437.519	4.735	1	0		IJAFRO
COc1ccc(CC(Cc2ccc(OC)cc2)[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1	ZINC000045322919	563130584	/nfs/dbraw/zinc/13/05/84/563130584.db2.gz	CSKIPGJVXKEUMP-RUZDIDTESA-N	1	0	425.956	4.834	1	0		IJAFRO
COc1ccc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1CN1CCC[N@H+](C)CC1	ZINC000045324976	563131013	/nfs/dbraw/zinc/13/10/13/563131013.db2.gz	DEQAZNTZSHRVKA-UHFFFAOYSA-N	1	0	447.554	4.891	1	0		IJAFRO
Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CC[NH+]2CCCC2)c1=O	ZINC000058506239	563143687	/nfs/dbraw/zinc/14/36/87/563143687.db2.gz	HRYOLWSYCGLMIP-UHFFFAOYSA-N	1	0	437.628	4.712	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCCNC(=O)c2ccc3ccccc3c2)CC1	ZINC000058591673	563145531	/nfs/dbraw/zinc/14/55/31/563145531.db2.gz	WUTIBZPSZGYSGD-UHFFFAOYSA-N	1	0	431.580	4.571	1	0		IJAFRO
CCn1c2cc[nH+]cc2c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21	ZINC000064548848	563155505	/nfs/dbraw/zinc/15/55/05/563155505.db2.gz	MLGIEHNPTQNYAQ-UHFFFAOYSA-N	1	0	430.327	4.773	1	0		IJAFRO
CCN(CC)C(=O)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000072101685	563162723	/nfs/dbraw/zinc/16/27/23/563162723.db2.gz	BKZFZZPWZOOKQZ-NRFANRHFSA-N	1	0	434.506	4.706	1	0		IJAFRO
COc1ccccc1N1CC[NH+](C[C@H]2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1	ZINC000073279537	563171723	/nfs/dbraw/zinc/17/17/23/563171723.db2.gz	GRLMWWLAYDWUKA-HSZRJFAPSA-N	1	0	440.587	4.783	1	0		IJAFRO
O=C(CC[NH+]1CCC(c2ccccc2)CC1)NCc1nc2cc(Cl)c(Cl)cc2[nH]1	ZINC000082152106	563173381	/nfs/dbraw/zinc/17/33/81/563173381.db2.gz	CRHDMHQLIAAIKM-UHFFFAOYSA-N	1	0	431.367	4.756	1	0		IJAFRO
CCn1c2ccccc2c2cc(C[NH+]3CCC4(CC3)c3ccccc3[C@H](O)[C@H]4O)ccc21	ZINC000082158347	563174002	/nfs/dbraw/zinc/17/40/02/563174002.db2.gz	ARCLLIFCIKHDHP-RRPNLBNLSA-N	1	0	426.560	4.756	1	0		IJAFRO
CC[NH+]1CCC(Nc2ccc3c(c2)C(=C(c2nc(C)c[nH]2)c2ccccc2F)C(=O)N3)CC1	ZINC000084742018	563179167	/nfs/dbraw/zinc/17/91/67/563179167.db2.gz	IQCIFDSCWKQXJA-WCWDXBQESA-N	1	0	445.542	4.665	1	0		IJAFRO
CC(C)CCn1nc(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)c2ccccc21	ZINC000095566171	563183400	/nfs/dbraw/zinc/18/34/00/563183400.db2.gz	ZWZHCKNAQRDTIV-UHFFFAOYSA-N	1	0	432.612	4.767	1	0		IJAFRO
[NH2+]=C1N[C@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)(F)F)c2)c2ccccc21	ZINC000095572762	563184833	/nfs/dbraw/zinc/18/48/33/563184833.db2.gz	JLXRYBDDOAPKHW-HSZRJFAPSA-N	1	0	431.421	4.568	1	0		IJAFRO
CC(C)([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccccc1	ZINC000095591031	563190198	/nfs/dbraw/zinc/19/01/98/563190198.db2.gz	MYJHWKVYBXICEA-BJKOFHAPSA-N	1	0	436.983	4.567	1	0		IJAFRO
C[C@@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@H](C)[NH2+]1	ZINC000095598552	563192183	/nfs/dbraw/zinc/19/21/83/563192183.db2.gz	BVQRZGCAOVETMW-IYBDPMFKSA-N	1	0	445.972	4.587	1	0		IJAFRO
O=C(N1CCCC1)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(O)c(Cl)c2)CC1	ZINC000095665438	563194344	/nfs/dbraw/zinc/19/43/44/563194344.db2.gz	QXICVFZJBZMHHM-UHFFFAOYSA-N	1	0	442.987	4.719	1	0		IJAFRO
F[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn43)nc21	ZINC000096175058	563196177	/nfs/dbraw/zinc/19/61/77/563196177.db2.gz	NLZJFVXOFCFQHC-IRLDBZIGSA-N	1	0	439.494	4.690	1	0		IJAFRO
CCn1c2ccccc2n([C@@H]2CC[N@H+](C[C@@H]3CCCCC34CCCCC4)C[C@H]2CO)c1=O	ZINC000096903257	563197504	/nfs/dbraw/zinc/19/75/04/563197504.db2.gz	ATHMSYOHILKESV-RJGXRXQPSA-N	1	0	439.644	4.819	1	0		IJAFRO
COc1ccccc1OCC[NH2+]C[C@@H](O)CCCOc1ccc2[nH]c3ccccc3c2c1	ZINC000096939490	563200077	/nfs/dbraw/zinc/20/00/77/563200077.db2.gz	DTPPMVUMIALFQL-IBGZPJMESA-N	1	0	434.536	4.518	1	0		IJAFRO
COc1ccccc1OCC[NH2+]C[C@@H](O)CCCCOc1ccc2[nH]c3ccccc3c2c1	ZINC000096939496	563200109	/nfs/dbraw/zinc/20/01/09/563200109.db2.gz	MQGAVEBDNPSJBQ-FQEVSTJZSA-N	1	0	448.563	4.908	1	0		IJAFRO
CC(=O)Nc1cccc([C@@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1	ZINC000000599446	562918583	/nfs/dbraw/zinc/91/85/83/562918583.db2.gz	FCEBQYDCYXPCAL-JOCHJYFZSA-N	1	0	448.394	4.790	1	0		IJAFRO
CCC[NH+](CCC)CCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1	ZINC000005007114	562943791	/nfs/dbraw/zinc/94/37/91/562943791.db2.gz	RXFDGJGDLKEXBL-UHFFFAOYSA-N	1	0	428.602	4.552	1	0		IJAFRO
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CC[NH2+]CC1	ZINC000013443289	562986631	/nfs/dbraw/zinc/98/66/31/562986631.db2.gz	PNEOTEPFOGNDKN-UHFFFAOYSA-N	1	0	430.392	4.662	1	0		IJAFRO
COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N([C@H](C)C[NH+](C)C)C(=O)[C@@H]2C)cc1	ZINC000013450805	562987327	/nfs/dbraw/zinc/98/73/27/562987327.db2.gz	KLLFPPGWPOQJKZ-GPMSIDNRSA-N	1	0	434.502	4.973	1	0		IJAFRO
CCCC[NH+](CCCC)CCCNC(=O)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1	ZINC000013478322	562989145	/nfs/dbraw/zinc/98/91/45/562989145.db2.gz	WXWACORYPSAGKX-FQEVSTJZSA-N	1	0	427.511	4.607	3	0		IJAFRO
Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)no1	ZINC000013613352	562998221	/nfs/dbraw/zinc/99/82/21/562998221.db2.gz	DWZGXOWWEDECCU-JAXLGGSGSA-N	1	0	428.552	4.757	1	0		IJAFRO
CC[NH+](CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2ccc(=O)oc21	ZINC000013659960	562999489	/nfs/dbraw/zinc/99/94/89/562999489.db2.gz	JBCNNTTYIKOGES-HXUWFJFHSA-N	1	0	438.568	4.740	3	0		IJAFRO
COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)c3ccccc32)cc1	ZINC000013758043	563004646	/nfs/dbraw/zinc/00/46/46/563004646.db2.gz	DLZVHVLNGKHMAT-QHCPKHFHSA-N	1	0	443.547	4.991	1	0		IJAFRO
O=C(NC1CC[NH+](CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1	ZINC000013835846	563012216	/nfs/dbraw/zinc/01/22/16/563012216.db2.gz	ANXXZECPSLPAFT-GJZUVCINSA-N	1	0	448.598	4.861	1	0		IJAFRO
CC[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O	ZINC000014962430	563016180	/nfs/dbraw/zinc/01/61/80/563016180.db2.gz	UZRBYHFZHKYQJZ-FPOVZHCZSA-N	1	0	426.520	4.624	1	0		IJAFRO
CN(C)c1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1	ZINC000014975993	563016931	/nfs/dbraw/zinc/01/69/31/563016931.db2.gz	AYPZPRUFAPTKJJ-RUZDIDTESA-N	1	0	448.655	4.629	1	0		IJAFRO
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=[NH+][C@H]1c1cccc(F)c1	ZINC000015937407	563019304	/nfs/dbraw/zinc/01/93/04/563019304.db2.gz	LXYYCFBEHHEXJY-VWLOTQADSA-N	1	0	443.522	4.975	3	0		IJAFRO
Fc1ccc(C(OCC[NH+]2CCN(C/C=C/c3ccco3)CC2)c2ccc(F)cc2)cc1	ZINC000022938598	563026606	/nfs/dbraw/zinc/02/66/06/563026606.db2.gz	JCAUILDHGRZBJB-HNQUOIGGSA-N	1	0	438.518	4.995	1	0		IJAFRO
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)c(O)c1)C(C)C	ZINC000026655229	563034819	/nfs/dbraw/zinc/03/48/19/563034819.db2.gz	MGXVKTGFRCDQAA-BZVKRPRLSA-N	1	0	434.665	4.525	1	0		IJAFRO
CC1CC[NH+](CC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1	ZINC000026675293	563035447	/nfs/dbraw/zinc/03/54/47/563035447.db2.gz	RBZOKNOUMCLERM-UHFFFAOYSA-N	1	0	438.959	4.795	1	0		IJAFRO
Cc1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)Cc1c[nH]c2ccc(Br)cc12	ZINC000026727790	563035832	/nfs/dbraw/zinc/03/58/32/563035832.db2.gz	FTZJWTORZSQYIK-SFHVURJKSA-N	1	0	431.374	4.589	1	0		IJAFRO
CCCN(C(=O)[C@@H](C)C1(O)CC[NH+](CCc2ccccc2Cl)CC1)C1CCCCC1	ZINC000027554099	563043630	/nfs/dbraw/zinc/04/36/30/563043630.db2.gz	YQMGWVMDBGXDSH-HXUWFJFHSA-N	1	0	435.052	4.917	1	0		IJAFRO
CC(C)[C@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)CCc1ccc(F)cc1	ZINC000027559208	563044040	/nfs/dbraw/zinc/04/40/40/563044040.db2.gz	PGTXGSOJJNJARN-QOAWAWRESA-N	1	0	440.603	4.904	1	0		IJAFRO
COc1cc2c(cc1OC)C[C@H]([N@H+](C)CCC(c1ccccc1)c1ccccc1)[C@@H](O)C2	ZINC000027725379	563046017	/nfs/dbraw/zinc/04/60/17/563046017.db2.gz	TXWWQGYSCGBIDM-UIOOFZCWSA-N	1	0	431.576	4.686	1	0		IJAFRO
O=C1CCc2ccc(OCCCC[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2N1	ZINC000027744054	563046596	/nfs/dbraw/zinc/04/65/96/563046596.db2.gz	DUQFDNPIXJYKCB-UHFFFAOYSA-N	1	0	448.394	4.859	1	0		IJAFRO
S=C(NN1CC=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1)c1ccccc1	ZINC000027857316	563047363	/nfs/dbraw/zinc/04/73/63/563047363.db2.gz	ACAQTMICMMVXHA-UHFFFAOYSA-N	1	0	430.621	4.776	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@](C)(CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)OCC2	ZINC000027892771	563048061	/nfs/dbraw/zinc/04/80/61/563048061.db2.gz	ZMKBOQJVDYAYHE-RUZDIDTESA-N	1	0	445.003	4.748	1	0		IJAFRO
O=C(CNc1c2ccccc2[nH+]c2c1CCCC2)NCC1CCN(c2ccccc2)CC1	ZINC000028374465	563053875	/nfs/dbraw/zinc/05/38/75/563053875.db2.gz	FUOTYLVDNJWUSK-UHFFFAOYSA-N	1	0	428.580	4.558	1	0		IJAFRO
NC(=[NH2+])NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12	ZINC000028826236	563066495	/nfs/dbraw/zinc/06/64/95/563066495.db2.gz	LCVSJYRGWDKTNK-UHFFFAOYSA-N	1	0	441.579	4.546	1	0		IJAFRO
O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1ccccc1)c1ccccc1Cl)CC2	ZINC000028886140	563068141	/nfs/dbraw/zinc/06/81/41/563068141.db2.gz	WQORCLHRRWRFRW-DEOSSOPVSA-N	1	0	431.967	4.858	1	0		IJAFRO
CC(C)CCn1c2cccc(CCC[NH3+])c2nc1Cn1c2ccccc2n(C(C)C)c1=O	ZINC000028952151	563069784	/nfs/dbraw/zinc/06/97/84/563069784.db2.gz	RIVKQNIZTQQGQU-UHFFFAOYSA-N	1	0	433.600	4.719	1	0		IJAFRO
Oc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1	ZINC000034107091	563085548	/nfs/dbraw/zinc/08/55/48/563085548.db2.gz	DCNFVKCZGQMLNO-UHFFFAOYSA-N	1	0	431.471	4.569	1	0		IJAFRO
O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CC[NH+](Cc2ccccc2)CC1	ZINC000034802165	563087618	/nfs/dbraw/zinc/08/76/18/563087618.db2.gz	DLFIQCGXPLUMEB-UHFFFAOYSA-N	1	0	447.529	4.898	1	0		IJAFRO
Cc1sc(C(=O)CCc2cc(C)c(OCC[NH2+]CCO)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C	ZINC000036479027	563095503	/nfs/dbraw/zinc/09/55/03/563095503.db2.gz	QEKPYOYQQSXBKE-NFBKMPQASA-N	1	0	441.637	4.745	1	0		IJAFRO
COC(=O)C(=Cc1ccc(-c2nc3cc(C(=[NH2+])NC(C)C)ccc3[nH]2)o1)c1ccccc1	ZINC000038738960	563098278	/nfs/dbraw/zinc/09/82/78/563098278.db2.gz	RUJJJQCRYAICNQ-XMHGGMMESA-N	1	0	428.492	4.860	1	0		IJAFRO
Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CN2CCC3(CCC[NH2+]3)CC2)cc1	ZINC000040898188	563110732	/nfs/dbraw/zinc/11/07/32/563110732.db2.gz	STMBXLNGRWZRFX-UHFFFAOYSA-N	1	0	446.620	4.968	1	0		IJAFRO
OC1(c2ccccc2)CC[NH+](CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1	ZINC000040936624	563112861	/nfs/dbraw/zinc/11/28/61/563112861.db2.gz	DXYLCDRFEVYPSH-UHFFFAOYSA-N	1	0	430.504	4.983	1	0		IJAFRO
Cc1cc(C[N@@H+]2CC[C@@H](N3CC(c4ccccc4)(c4ccccc4)OC3=O)C2)ccc1O	ZINC000045231197	563126245	/nfs/dbraw/zinc/12/62/45/563126245.db2.gz	XOFFDHBXSNLCEF-XMMPIXPASA-N	1	0	428.532	4.671	1	0		IJAFRO
COc1ccc(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)c(-c3ccnn3C)c2)cc1	ZINC000045261722	563127857	/nfs/dbraw/zinc/12/78/57/563127857.db2.gz	MZYGWRDFYWAPSG-UHFFFAOYSA-N	1	0	449.555	4.604	1	0		IJAFRO
CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(Cn3c4ccccc4nc3-c3ccccc3)cc2)C1	ZINC000045365415	563132967	/nfs/dbraw/zinc/13/29/67/563132967.db2.gz	RMWZNHNQKCWGGE-DEOSSOPVSA-N	1	0	438.575	4.918	1	0		IJAFRO
Cc1cc(NC(=O)OC[C@@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)n(C)n1	ZINC000045392235	563134108	/nfs/dbraw/zinc/13/41/08/563134108.db2.gz	GUFLDWJZHZVTCO-GOSISDBHSA-N	1	0	449.536	4.596	1	0		IJAFRO
CNC(=O)CN1c2ccccc2C2(CC[NH+](C3CCCCCCCCC3)CC2)OC1=O	ZINC000049033746	563136030	/nfs/dbraw/zinc/13/60/30/563136030.db2.gz	WCIVSVZBQLCKAD-UHFFFAOYSA-N	1	0	427.589	4.573	1	0		IJAFRO
O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cc(Cl)cc(Cl)c1	ZINC000058487264	563143633	/nfs/dbraw/zinc/14/36/33/563143633.db2.gz	ZIJBDKVFXXBXSL-FQEVSTJZSA-N	1	0	427.397	4.889	1	0		IJAFRO
CC(C)[C@H](C[N@@H+]1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)/C=C/c1ccc(O)cc1	ZINC000058627708	563145898	/nfs/dbraw/zinc/14/58/98/563145898.db2.gz	LGWQLPKNPOCPDB-WRJLASFRSA-N	1	0	436.596	4.552	1	0		IJAFRO
Cc1cc2c(cc1OCCCC[NH+]1CCN(c3cccc4cc(F)ccc43)CC1)C(=O)NC2	ZINC000064513568	563154231	/nfs/dbraw/zinc/15/42/31/563154231.db2.gz	MGUCYNMYMMBXDP-UHFFFAOYSA-N	1	0	447.554	4.512	1	0		IJAFRO
Cc1c(F)cccc1Oc1c(C(=O)N2CC[NH2+]CC2)c2ccccc2n1-c1ccccc1	ZINC000064527038	563154500	/nfs/dbraw/zinc/15/45/00/563154500.db2.gz	YWFVKBKVLSZRFL-UHFFFAOYSA-N	1	0	429.495	4.916	1	0		IJAFRO
CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC[NH+](C)C)OCc1ccccc1	ZINC000064559404	563155979	/nfs/dbraw/zinc/15/59/79/563155979.db2.gz	KSNWNYMPRFXGCG-QFIPXVFZSA-N	1	0	449.636	4.762	1	0		IJAFRO
Cc1cc(C(=O)NCc2cc(Cl)ccc2C[NH3+])cc(C(=O)N(CC(C)C)CC(C)C)c1	ZINC000066079643	563157881	/nfs/dbraw/zinc/15/78/81/563157881.db2.gz	KSFQRZNIHNEUEG-UHFFFAOYSA-N	1	0	444.019	4.791	1	0		IJAFRO
COCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)c(C[NH3+])c1	ZINC000066112315	563159025	/nfs/dbraw/zinc/15/90/25/563159025.db2.gz	HTTYROVIMQHHGU-VWLOTQADSA-N	1	0	441.579	4.643	1	0		IJAFRO
COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=[NH+][C@@H]1c1ccccc1	ZINC000066156740	563159709	/nfs/dbraw/zinc/15/97/09/563159709.db2.gz	WELLNFPFJGPCRA-RUZDIDTESA-N	1	0	425.532	4.836	1	0		IJAFRO
CN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000072102928	563162804	/nfs/dbraw/zinc/16/28/04/563162804.db2.gz	QGKXJSZGAWMSPR-HXUWFJFHSA-N	1	0	431.458	4.947	1	0		IJAFRO
CC(C)(C)NC(=O)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000072185920	563168162	/nfs/dbraw/zinc/16/81/62/563168162.db2.gz	GOCVBDJBURUEPZ-FQEVSTJZSA-N	1	0	434.506	4.752	1	0		IJAFRO
CC(C)Oc1ccc([C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)c2cccnc2)cc1	ZINC000072186140	563168196	/nfs/dbraw/zinc/16/81/96/563168196.db2.gz	FYRONYVIFUYEEN-AREMUKBSSA-N	1	0	429.564	4.853	1	0		IJAFRO
Cc1c(Cl)cccc1Nc1nc2ccc(N(C)C(=O)/C=C/C[NH+](C)C)cc2n2cncc12	ZINC000073168228	563169748	/nfs/dbraw/zinc/16/97/48/563169748.db2.gz	YTAWBYPMECVVIE-RMKNXTFCSA-N	1	0	448.958	4.669	1	0		IJAFRO
Cn1cc([C@@H](NC(=O)CC[NH+]2CCC(c3ccccc3)CC2)c2ccc(Cl)cc2)cn1	ZINC000073404827	563172812	/nfs/dbraw/zinc/17/28/12/563172812.db2.gz	QOCYFWBUTVFXBJ-VWLOTQADSA-N	1	0	436.987	4.549	1	0		IJAFRO
COc1cccc(CN(CCC[NH+]2CCCCC2)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1	ZINC000095591092	563190206	/nfs/dbraw/zinc/19/02/06/563190206.db2.gz	MJGUYOIMZHRNLB-UHFFFAOYSA-N	1	0	447.583	4.995	1	0		IJAFRO
COCc1cc(NC(=O)c2ccc(Br)cc2)cc([C@@]2(C)CCSC(=[NH2+])N2)c1	ZINC000096174375	563196062	/nfs/dbraw/zinc/19/60/62/563196062.db2.gz	QJDYGDJENJQNNN-HXUWFJFHSA-N	1	0	448.386	4.515	1	0		IJAFRO
O=C(c1ccoc1)N(c1cccc2nsnc21)C1CC[NH+](CCc2ccccc2)CC1	ZINC000000596861	562918481	/nfs/dbraw/zinc/91/84/81/562918481.db2.gz	GQXSRXVMAXBIJK-UHFFFAOYSA-N	1	0	432.549	4.638	1	0		IJAFRO
CC(=O)N(C)c1cccc(CC2CC[NH+](CCOc3cccc4nc(C)ccc43)CC2)c1	ZINC000003816898	562938614	/nfs/dbraw/zinc/93/86/14/562938614.db2.gz	MKRKMJIVMFGIAF-UHFFFAOYSA-N	1	0	431.580	4.859	1	0		IJAFRO
NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3cccc4ccccc43)cc3c2cccc3O)c1	ZINC000003831860	562939060	/nfs/dbraw/zinc/93/90/60/562939060.db2.gz	FUDJBRQKKDTOFI-UHFFFAOYSA-N	1	0	448.526	4.762	1	0		IJAFRO
CC(/C=N/OCC[NH+](C)C)=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000003948855	562939776	/nfs/dbraw/zinc/93/97/76/562939776.db2.gz	STVMVMIOOIYJIL-VNRYKJNBSA-N	1	0	446.676	4.631	1	0		IJAFRO
CC[NH+](CC)CC[C@@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21	ZINC000005941600	562945423	/nfs/dbraw/zinc/94/54/23/562945423.db2.gz	YCVQUIDTOAIVAE-FQEVSTJZSA-N	1	0	434.584	4.503	1	0		IJAFRO
O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21	ZINC000008588618	562950731	/nfs/dbraw/zinc/95/07/31/562950731.db2.gz	KCTZYRGEKXUIQK-UHFFFAOYSA-N	1	0	436.556	4.961	1	0		IJAFRO
CCCN(CC[NH+]1CCCC1)c1nc(C)nc2c1nn(C)c2-c1ccc(Cl)cc1Cl	ZINC000013445132	562986835	/nfs/dbraw/zinc/98/68/35/562986835.db2.gz	YTEFVARXVOFMSS-UHFFFAOYSA-N	1	0	447.414	4.958	1	0		IJAFRO
CN1c2ccc(Cl)cc2C(c2ccccc2)=[NH+]C[C@H]1CCNC(=O)c1ccccc1F	ZINC000013525988	562991619	/nfs/dbraw/zinc/99/16/19/562991619.db2.gz	CWIDSVJPJSNWJJ-LJQANCHMSA-N	1	0	435.930	4.955	1	0		IJAFRO
N[C@@H](CC[NH+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)C(=O)N1CCCCC1	ZINC000013561246	562994362	/nfs/dbraw/zinc/99/43/62/562994362.db2.gz	RWWZKRMYWOFKHN-QFIPXVFZSA-N	1	0	434.411	4.726	1	0		IJAFRO
O=S(=O)(CCc1cccc2ccccc21)Nc1ccc2ccn(CC[NH+]3CCCC3)c2c1	ZINC000013611712	562997886	/nfs/dbraw/zinc/99/78/86/562997886.db2.gz	PUEFBMXPPPGAQL-UHFFFAOYSA-N	1	0	447.604	4.875	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1	ZINC000013756315	563004455	/nfs/dbraw/zinc/00/44/55/563004455.db2.gz	UNHGFWKSHHCRHF-RPBOFIJWSA-N	1	0	435.520	4.562	1	0		IJAFRO
CCC[N@H+](CCCCc1ccc2c(c1)OCO2)CCOc1cc(F)cc2c1OCCC2=O	ZINC000013780407	563006424	/nfs/dbraw/zinc/00/64/24/563006424.db2.gz	SHAQMXHGPVFXFV-UHFFFAOYSA-N	1	0	443.515	4.633	1	0		IJAFRO
CC[NH+](CC)CC[C@@H](c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(C)cc(=O)oc21	ZINC000013830903	563011136	/nfs/dbraw/zinc/01/11/36/563011136.db2.gz	NKXJKTCWCFCMOZ-FQEVSTJZSA-N	1	0	439.552	4.991	1	0		IJAFRO
COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C=Cc3cn(C)c4ccc(Cl)cc34)n[nH]2)C1	ZINC000013976871	563014097	/nfs/dbraw/zinc/01/40/97/563014097.db2.gz	SITXHAVZQRLLMP-YZIUAXRGSA-N	1	0	426.948	4.547	1	0		IJAFRO
COc1cc(OC)c(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1OC	ZINC000015936841	563018968	/nfs/dbraw/zinc/01/89/68/563018968.db2.gz	DHFRHJZZSGZQRO-UHFFFAOYSA-N	1	0	438.504	4.995	3	0		IJAFRO
CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2ncncc2C1	ZINC000026645994	563034486	/nfs/dbraw/zinc/03/44/86/563034486.db2.gz	UYAJEEPVQYLWDN-AREMUKBSSA-N	1	0	442.607	4.923	1	0		IJAFRO
Cc1ccc(N2CC[NH+](CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)cc1Cl	ZINC000027736346	563046335	/nfs/dbraw/zinc/04/63/35/563046335.db2.gz	NWGCCBKWIHXOMI-UHFFFAOYSA-N	1	0	427.976	4.514	1	0		IJAFRO
O=C1CCc2ccc(OCCCC[NH+]3CCN(c4cc(Cl)cc(Cl)c4)CC3)cc2N1	ZINC000027746120	563046718	/nfs/dbraw/zinc/04/67/18/563046718.db2.gz	NDFWQLWFRRTZMJ-UHFFFAOYSA-N	1	0	448.394	4.859	1	0		IJAFRO
COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(C(F)(F)F)cc1	ZINC000027845088	563047311	/nfs/dbraw/zinc/04/73/11/563047311.db2.gz	HNQYHJLCZBKHRM-URXFXBBRSA-N	1	0	446.513	4.867	1	0		IJAFRO
[NH3+]CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc2cc[nH]c21	ZINC000028459586	563055000	/nfs/dbraw/zinc/05/50/00/563055000.db2.gz	JJZVWWFCTORSJZ-UHFFFAOYSA-N	1	0	430.581	4.981	1	0		IJAFRO
O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(Cl)cnc1NCC1CC1	ZINC000028522724	563056100	/nfs/dbraw/zinc/05/61/00/563056100.db2.gz	YMEAFQIEZPMXHB-UHFFFAOYSA-N	1	0	433.383	4.605	1	0		IJAFRO
O=C(Nc1ccccc1NC(=O)c1ccc(F)cc1)OCC1CCN(c2cc[nH+]cc2)CC1	ZINC000028525875	563056828	/nfs/dbraw/zinc/05/68/28/563056828.db2.gz	ZISWSDMOLNRTHE-UHFFFAOYSA-N	1	0	448.498	4.938	1	0		IJAFRO
C[NH+](C)CCNC(=O)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc32)c1	ZINC000028528735	563057273	/nfs/dbraw/zinc/05/72/73/563057273.db2.gz	SCDOWHQVNDXVPB-UHFFFAOYSA-N	1	0	433.943	4.918	1	0		IJAFRO
Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1	ZINC000028867139	563067265	/nfs/dbraw/zinc/06/72/65/563067265.db2.gz	IMYWIXVEAKDSQK-DVECYGJZSA-N	1	0	428.020	4.832	1	0		IJAFRO
CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1cc2ccc(O)cc2[nH]1	ZINC000029134235	563076076	/nfs/dbraw/zinc/07/60/76/563076076.db2.gz	GBNVPCRSTLJGPB-YJIIWGRFSA-N	1	0	449.595	4.633	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1=O	ZINC000029390535	563078962	/nfs/dbraw/zinc/07/89/62/563078962.db2.gz	UZPNDQMXOWZSMG-REWPJTCUSA-N	1	0	431.532	4.707	1	0		IJAFRO
COc1ccc(CC[NH+]2CCC(Nc3nc4cccnc4n3Cc3ccccc3)CC2)cc1	ZINC000029568861	563082818	/nfs/dbraw/zinc/08/28/18/563082818.db2.gz	FVNAMXPUNOTUJL-UHFFFAOYSA-N	1	0	441.579	4.607	1	0		IJAFRO
O=C(COc1cccc(Cl)c1)NC1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1	ZINC000035819418	563090012	/nfs/dbraw/zinc/09/00/12/563090012.db2.gz	SYBNLTUHRJAZJD-UHFFFAOYSA-N	1	0	435.955	4.562	1	0		IJAFRO
OCC[N@@H+]1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2	ZINC000036093082	563091083	/nfs/dbraw/zinc/09/10/83/563091083.db2.gz	QIFYCDNAYDWBME-ISKFKSNPSA-N	1	0	428.979	4.979	1	0		IJAFRO
Cc1ccc(O)cc1Nc1cc(CCCC2CC[NH2+]CC2)nc(-n2cnc3ccccc32)n1	ZINC000036187683	563091808	/nfs/dbraw/zinc/09/18/08/563091808.db2.gz	FLXPSNHOJNORED-UHFFFAOYSA-N	1	0	442.567	4.895	1	0		IJAFRO
O=C1c2cc(-c3ccc(F)cc3)cn2CCN1CCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000036270600	563092454	/nfs/dbraw/zinc/09/24/54/563092454.db2.gz	QOKHHPNTBNJONY-UHFFFAOYSA-N	1	0	431.555	4.979	1	0		IJAFRO
CCOC(=O)[C@@](CCC[NH+]1CCN(Cc2ccc(F)cc2)CC1)(c1ccccc1)C(C)C	ZINC000040876634	563109473	/nfs/dbraw/zinc/10/94/73/563109473.db2.gz	MUDXHQMNYAEHIV-HHHXNRCGSA-N	1	0	440.603	4.881	1	0		IJAFRO
CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3	ZINC000040892042	563110006	/nfs/dbraw/zinc/11/00/06/563110006.db2.gz	VRYVVFVZEJRXMI-ZHCGCUJNSA-N	1	0	449.010	4.647	1	0		IJAFRO
Cc1ccc2c(cccc2O[C@@H](C)C[NH+]2CCC(Cc3ccc4c(c3)NC(=O)CO4)CC2)n1	ZINC000040938104	563113127	/nfs/dbraw/zinc/11/31/27/563113127.db2.gz	MYQPEMWGPYOTRE-IBGZPJMESA-N	1	0	445.563	4.596	1	0		IJAFRO
CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1ccccc1C(F)(F)F)CCCC3	ZINC000040952165	563114082	/nfs/dbraw/zinc/11/40/82/563114082.db2.gz	YPJRDGRZUYIHEH-SFHVURJKSA-N	1	0	431.458	4.956	1	0		IJAFRO
O[C@H](c1ccc(C[NH+]2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1	ZINC000045259945	563127650	/nfs/dbraw/zinc/12/76/50/563127650.db2.gz	HTPPRDGEOSXUGA-XMMPIXPASA-N	1	0	440.465	4.602	1	0		IJAFRO
NC(=O)C1CC[NH+](Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)CC1	ZINC000045302379	563129465	/nfs/dbraw/zinc/12/94/65/563129465.db2.gz	WMDIVGHHTLHLOR-UHFFFAOYSA-N	1	0	428.511	4.733	1	0		IJAFRO
CC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2ccccc2Cl)c[nH]1	ZINC000045484256	563134202	/nfs/dbraw/zinc/13/42/02/563134202.db2.gz	JAZNFFSWTRMVTO-NRFANRHFSA-N	1	0	445.007	4.769	1	0		IJAFRO
Cc1cc(C)c(N2CCCn3c(CN4CCC[N@@H+](C)CC4)c(C(F)(F)F)nc32)c(C)c1	ZINC000049049456	563136762	/nfs/dbraw/zinc/13/67/62/563136762.db2.gz	UZLUPNJOYWEMRW-UHFFFAOYSA-N	1	0	435.538	4.506	1	0		IJAFRO
O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc(C(F)(F)F)cc1	ZINC000058487686	563143617	/nfs/dbraw/zinc/14/36/17/563143617.db2.gz	XISHQUZWDQCLCK-FQEVSTJZSA-N	1	0	426.504	4.601	1	0		IJAFRO
Cc1cc(N)nc(C[C@@H]2C[NH2+]C[C@@H]2OCc2ccc(-c3ccc(F)c(Cl)c3)cc2)c1	ZINC000058638815	563145882	/nfs/dbraw/zinc/14/58/82/563145882.db2.gz	OGQBSGICCCNZFV-XXBNENTESA-N	1	0	425.935	4.779	1	0		IJAFRO
O=C(N[C@@H](c1ccc(Cl)cc1)c1cnccn1)C1CC[NH+](CCCc2ccccc2)CC1	ZINC000061926094	563149802	/nfs/dbraw/zinc/14/98/02/563149802.db2.gz	DSPLUNIJUHDDJM-VWLOTQADSA-N	1	0	448.998	4.680	3	0		IJAFRO
Cc1c(F)cccc1Cc1c(C(=O)N2CC[NH2+]CC2)c2ccccc2n1-c1ccccc1	ZINC000064527990	563154680	/nfs/dbraw/zinc/15/46/80/563154680.db2.gz	YACCYGYSITWPFD-UHFFFAOYSA-N	1	0	427.523	4.714	1	0		IJAFRO
CC(C)(C(=O)Nc1ccc(N2CCC([NH2+]CC3CC3)CC2)c(Cl)c1)c1ccccn1	ZINC000064560479	563156269	/nfs/dbraw/zinc/15/62/69/563156269.db2.gz	GBOXXGBLGPRTSS-UHFFFAOYSA-N	1	0	426.992	4.620	1	0		IJAFRO
CCOC(=O)c1ccc(NC(=O)c2ccc(CC[N@@H+]3CCc4ccccc4C3)cc2)cc1	ZINC000066165996	563159683	/nfs/dbraw/zinc/15/96/83/563159683.db2.gz	AVXQTBRECTZDJT-UHFFFAOYSA-N	1	0	428.532	4.716	1	0		IJAFRO
Cc1nn2c(nc(C)cc2NCC[NH2+]C2CCOCC2)c1-c1c(Cl)cccc1Cl	ZINC000071334535	563162573	/nfs/dbraw/zinc/16/25/73/563162573.db2.gz	URLFCWFWFYOCGV-UHFFFAOYSA-N	1	0	434.371	4.500	1	0		IJAFRO
CC[C@H]1C[N@@H+]([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@@H]43)C[C@@H]2O)CCO1	ZINC000072135671	563164076	/nfs/dbraw/zinc/16/40/76/563164076.db2.gz	BDMLELCPQIYMDP-ACBQTUBKSA-N	1	0	431.661	4.685	1	0		IJAFRO
C[C@@]1(C(=O)Nc2ccc3ccccc3c2)CCC(=O)N1C1CC[NH+](Cc2ccccc2)CC1	ZINC000072138310	563164239	/nfs/dbraw/zinc/16/42/39/563164239.db2.gz	ASZSBRNLLHAWAO-NDEPHWFRSA-N	1	0	441.575	4.824	3	0		IJAFRO
O[C@@H]1C[N@H+](Cc2cccs2)[C@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1	ZINC000072137834	563164252	/nfs/dbraw/zinc/16/42/52/563164252.db2.gz	GKOCBPKFAWMLBJ-KMDXXIMOSA-N	1	0	434.540	4.695	1	0		IJAFRO
C[C@H](C[NH2+]C1CCCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072180011	563166775	/nfs/dbraw/zinc/16/67/75/563166775.db2.gz	VKFDIGARNLAZKL-PXAZEXFGSA-N	1	0	449.439	4.816	1	0		IJAFRO
CC(C)Oc1ccc([C@@H](c2cccnc2)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1	ZINC000072185056	563167956	/nfs/dbraw/zinc/16/79/56/563167956.db2.gz	BUAXOCYGADUUTM-QHCPKHFHSA-N	1	0	425.573	4.947	1	0		IJAFRO
CC(C)Oc1ccc([C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c2cccnc2)cc1	ZINC000072185089	563167989	/nfs/dbraw/zinc/16/79/89/563167989.db2.gz	HGDIETCJEPAMKS-QHCPKHFHSA-N	1	0	425.573	4.947	1	0		IJAFRO
CC(C)n1c(Nc2ccccc2)nc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21	ZINC000072318553	563168549	/nfs/dbraw/zinc/16/85/49/563168549.db2.gz	BJQHKZQCLPRNHN-UHFFFAOYSA-N	1	0	442.571	4.646	1	0		IJAFRO
CC(=O)N1CCc2ccc(C(=O)CCC[NH+]3CCC(c4ccc(C)cc4)CC3)cc2CC1	ZINC000073160440	563169366	/nfs/dbraw/zinc/16/93/66/563169366.db2.gz	VSFOCYAOLFNAMU-UHFFFAOYSA-N	1	0	432.608	4.785	1	0		IJAFRO
C[NH+](C)C[C@@H]1C[C@@H]1c1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)c1	ZINC000073198930	563170064	/nfs/dbraw/zinc/17/00/64/563170064.db2.gz	UHAOCIFGWUPNHK-OXJNMPFZSA-N	1	0	433.943	4.700	1	0		IJAFRO
C[NH+](C)C[C@H]1C[C@@H]1c1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)c1	ZINC000073198931	563170184	/nfs/dbraw/zinc/17/01/84/563170184.db2.gz	UHAOCIFGWUPNHK-OXQOHEQNSA-N	1	0	433.943	4.700	1	0		IJAFRO
CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)n1	ZINC000073296581	563172141	/nfs/dbraw/zinc/17/21/41/563172141.db2.gz	AOQLIYZUDGCISK-UHFFFAOYSA-N	1	0	449.578	4.798	1	0		IJAFRO
CCOC(=O)Nc1cc(N[C@@H](C)CCC[NH+](CC)CC)c2nc(CC)c(CC)nc2n1	ZINC000082151895	563173329	/nfs/dbraw/zinc/17/33/29/563173329.db2.gz	PKKNQDNINSSYFZ-INIZCTEOSA-N	1	0	430.597	4.640	1	0		IJAFRO
O=C(c1cccc(-c2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)o2)c1)N1CCC[NH2+]CC1	ZINC000084727597	563178216	/nfs/dbraw/zinc/17/82/16/563178216.db2.gz	IRPPYJZDFMMBBV-RCCKNPSSSA-N	1	0	447.922	4.528	1	0		IJAFRO
CO[C@H]1Cc2sc([C@@H](O)c3ccccc3)cc2C2(CC[NH+](Cc3ccccc3)CC2)O1	ZINC000084757074	563179428	/nfs/dbraw/zinc/17/94/28/563179428.db2.gz	UMYWBSZKHRPVCV-RPBOFIJWSA-N	1	0	435.589	4.866	1	0		IJAFRO
O=C(N[C@@H]1CC[N@H+](CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1	ZINC000095577819	563186453	/nfs/dbraw/zinc/18/64/53/563186453.db2.gz	LYYTTXCSEIAHQX-HSZRJFAPSA-N	1	0	437.543	4.785	1	0		IJAFRO
CC[NH+](CC)Cc1ccc2[nH]c(-c3n[nH]cc3Nc3cc(Cl)nc(SC)n3)nc2c1	ZINC000096271627	563196757	/nfs/dbraw/zinc/19/67/57/563196757.db2.gz	UHYYTYYLATYSHI-UHFFFAOYSA-N	1	0	442.980	4.704	1	0		IJAFRO
CN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C1CC[NH+](C)CC1	ZINC000003254812	562933393	/nfs/dbraw/zinc/93/33/93/562933393.db2.gz	SJGIIVIWRXOTLD-OUKQBFOZSA-N	1	0	440.547	4.851	1	0		IJAFRO
Cc1cc(Br)c2c(c1)[C@@H]([NH2+]CCCNc1cc(=O)c3ccccc3[nH]1)CCN2	ZINC000013487803	562989537	/nfs/dbraw/zinc/98/95/37/562989537.db2.gz	ZPSIVYGZEXJFJH-SFHVURJKSA-N	1	0	441.373	4.960	1	0		IJAFRO
Nc1cc(F)ccc1C(=O)CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3	ZINC000013487998	562989605	/nfs/dbraw/zinc/98/96/05/562989605.db2.gz	DPASSLWFBPICMV-FPOVZHCZSA-N	1	0	425.573	4.545	1	0		IJAFRO
C[NH+](C)C[C@H](O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1	ZINC000013537901	562992543	/nfs/dbraw/zinc/99/25/43/562992543.db2.gz	QNIZBMDMEQUCHR-INIZCTEOSA-N	1	0	448.354	4.572	1	0		IJAFRO
Fc1ccccc1CC1(F)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000013557022	562993264	/nfs/dbraw/zinc/99/32/64/562993264.db2.gz	PGTFTPBMXIPEMW-UHFFFAOYSA-N	1	0	435.522	4.867	1	0		IJAFRO
CC(C)n1cnc2c1nc(N(CC[NH+](C)C)Cc1ccccc1)nc2N(C)c1ccccc1	ZINC000013682606	563001015	/nfs/dbraw/zinc/00/10/15/563001015.db2.gz	NODXLMGAZSOUEJ-UHFFFAOYSA-N	1	0	443.599	4.743	3	0		IJAFRO
CNc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1	ZINC000013740852	563003190	/nfs/dbraw/zinc/00/31/90/563003190.db2.gz	QUUYXXXDMOJYBU-UHFFFAOYSA-N	1	0	425.504	4.860	1	0		IJAFRO
CCCN(CCC)C(=O)c1c2c3c(cccc3nc1N1CC[NH+](C)CC1)-c1ccccc1-2	ZINC000013797138	563007453	/nfs/dbraw/zinc/00/74/53/563007453.db2.gz	KUTUFWYDLVTJJS-UHFFFAOYSA-N	1	0	428.580	4.896	1	0		IJAFRO
O=C(CC[NH+]1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2C=Cc2ccccc21	ZINC000013820594	563009968	/nfs/dbraw/zinc/00/99/68/563009968.db2.gz	XXDSBQQTHZPHLT-UHFFFAOYSA-N	1	0	441.550	4.727	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc3c(c2)OCO3)c2ccccc2)CC1	ZINC000013861700	563012802	/nfs/dbraw/zinc/01/28/02/563012802.db2.gz	WFXHLPQBXUDHQA-XMMPIXPASA-N	1	0	446.547	4.756	1	0		IJAFRO
CC(=O)Nc1cccc(-c2ccc(NCCC3CC[NH+](Cc4ccccc4)CC3)nn2)c1	ZINC000013863639	563013401	/nfs/dbraw/zinc/01/34/01/563013401.db2.gz	JDECEUXYHCYDKW-UHFFFAOYSA-N	1	0	429.568	4.816	1	0		IJAFRO
FC(F)(F)c1cc(COC[C@@H](c2ccccc2)N2CC[NH2+]CC2)cc(C(F)(F)F)c1	ZINC000022926701	563026045	/nfs/dbraw/zinc/02/60/45/563026045.db2.gz	BUBWRIVYXMCTAG-IBGZPJMESA-N	1	0	432.408	4.887	1	0		IJAFRO
Cc1ccc(O)c(N(C)CCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1	ZINC000022934215	563026371	/nfs/dbraw/zinc/02/63/71/563026371.db2.gz	JPLFNTIXYRCQNH-UHFFFAOYSA-N	1	0	429.608	4.934	1	0		IJAFRO
CN1Cc2ccccc2[C@@H](c2ccccc2)[NH+]=C1CCc1ccccc1NS(C)(=O)=O	ZINC000026569624	563033276	/nfs/dbraw/zinc/03/32/76/563033276.db2.gz	UDZPTQPXFHAOAZ-RUZDIDTESA-N	1	0	433.577	4.624	1	0		IJAFRO
CCc1coc2cc(OCCC[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)ccc2c1=O	ZINC000026745820	563036313	/nfs/dbraw/zinc/03/63/13/563036313.db2.gz	CGMDSWARZPNFJK-UHFFFAOYSA-N	1	0	437.511	4.858	1	0		IJAFRO
O=C(C[C@H]1c2ccccc2[NH+]=C(N2CCOCC2)N1c1ccccc1)OCc1ccccc1	ZINC000026993604	563038762	/nfs/dbraw/zinc/03/87/62/563038762.db2.gz	YUFISOYCXRTFOG-VWLOTQADSA-N	1	0	441.531	4.701	1	0		IJAFRO
CC(C)[C@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)/C=C/c1ccc(O)cc1	ZINC000027560732	563044263	/nfs/dbraw/zinc/04/42/63/563044263.db2.gz	LGWQLPKNPOCPDB-SFVVJVDSSA-N	1	0	436.596	4.552	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3ccccc3C)CC1)OCC(C)(C)C2	ZINC000027735253	563046332	/nfs/dbraw/zinc/04/63/32/563046332.db2.gz	ZSOADGQPEJERHP-XMMPIXPASA-N	1	0	438.612	4.865	1	0		IJAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O	ZINC000027880313	563047747	/nfs/dbraw/zinc/04/77/47/563047747.db2.gz	CYLMBWSELUBUDY-OAQYLSRUSA-N	1	0	429.516	4.865	1	0		IJAFRO
O=c1c2ccc(OC[C@@H](O)C[NH2+]C3CC3)cc2oc(-c2ccccc2)c1-c1ccccc1	ZINC000027877202	563047751	/nfs/dbraw/zinc/04/77/51/563047751.db2.gz	RGSZNNUFZKUBLJ-NRFANRHFSA-N	1	0	427.500	4.619	1	0		IJAFRO
COC(=O)c1ccc(COc2ccc3cc([C@H]([C@H](C)[NH+](C)C)n4ccnc4)ccc3c2)cc1	ZINC000028130829	563051355	/nfs/dbraw/zinc/05/13/55/563051355.db2.gz	SNSYASMKLBWRLR-SIBVEZHUSA-N	1	0	443.547	4.941	1	0		IJAFRO
CC(=O)N1CC[C@H](C)c2c(C)ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c21	ZINC000028528257	563057184	/nfs/dbraw/zinc/05/71/84/563057184.db2.gz	WGKKVLJBBALZSS-IBGZPJMESA-N	1	0	448.636	4.830	1	0		IJAFRO
Cc1onc(-c2ccccc2)c1C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1	ZINC000028569259	563058711	/nfs/dbraw/zinc/05/87/11/563058711.db2.gz	SGSDMRAOGDTNHU-UHFFFAOYSA-N	1	0	429.564	4.750	1	0		IJAFRO
C[NH+]1CCN(c2cccc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CC1	ZINC000028880812	563067848	/nfs/dbraw/zinc/06/78/48/563067848.db2.gz	RWBAALSQDXRHFB-UHFFFAOYSA-N	1	0	434.927	4.874	1	0		IJAFRO
CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1cccc(Cl)c1	ZINC000029042512	563072147	/nfs/dbraw/zinc/07/21/47/563072147.db2.gz	DRZPPVFBGGBMTR-RPWUZVMVSA-N	1	0	426.004	4.647	1	0		IJAFRO
Clc1ccc([C@@](c2ccccc2)(c2ccc(CN3CC[NH2+]CC3)cc2)n2ccnc2)cc1	ZINC000029135566	563076253	/nfs/dbraw/zinc/07/62/53/563076253.db2.gz	JKLNTKMSELFPAF-HHHXNRCGSA-N	1	0	442.994	4.782	1	0		IJAFRO
CC(C)[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(Cc1ccccc1)c2=O	ZINC000029557755	563082224	/nfs/dbraw/zinc/08/22/24/563082224.db2.gz	PBQBTJPVERSOQF-QFIPXVFZSA-N	1	0	443.543	4.789	1	0		IJAFRO
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CC[NH+](C)CC1	ZINC000034800099	563087261	/nfs/dbraw/zinc/08/72/61/563087261.db2.gz	ZLQLCQDRTGSFPU-UHFFFAOYSA-N	1	0	430.911	4.895	1	0		IJAFRO
COc1ccc(N2CC=C(c3cccc(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C)CC1	ZINC000040567061	563104977	/nfs/dbraw/zinc/10/49/77/563104977.db2.gz	RODPJHJYOSGHIQ-UHFFFAOYSA-N	1	0	440.971	4.890	1	0		IJAFRO
Cc1nnc(C(C)C)n1C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1	ZINC000040892246	563110001	/nfs/dbraw/zinc/11/00/01/563110001.db2.gz	PISDDJAHCRTSLZ-DVECYGJZSA-N	1	0	437.632	4.783	1	0		IJAFRO
C[C@@H]1CCC[N@@H+]1CCc1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1	ZINC000043065889	563117834	/nfs/dbraw/zinc/11/78/34/563117834.db2.gz	GLSCKISDOLHCSX-OAQYLSRUSA-N	1	0	434.605	4.859	1	0		IJAFRO
Cc1ccc(CCOCCCCC[NH2+]C[C@H](O)c2cc(Cl)c(N)c(Cl)c2)cc1	ZINC000045192060	563123811	/nfs/dbraw/zinc/12/38/11/563123811.db2.gz	FEISCFLIQVSWMI-NRFANRHFSA-N	1	0	425.400	4.937	1	0		IJAFRO
C[NH+](C)CCNC(=O)c1ccc(-c2cncc(NCc3ccc(Cl)c(Cl)c3)c2)cc1	ZINC000045195833	563124558	/nfs/dbraw/zinc/12/45/58/563124558.db2.gz	ITOGGQHNHRGAFP-UHFFFAOYSA-N	1	0	443.378	4.959	1	0		IJAFRO
O=c1[nH]c2cccc(OCC3CC[NH+](C[C@@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1	ZINC000045244870	563126310	/nfs/dbraw/zinc/12/63/10/563126310.db2.gz	WAFDZIYPGQIZQE-QGZVFWFLSA-N	1	0	449.526	4.637	1	0		IJAFRO
CC(C)n1cnc2c1nc(NCCCC[NH3+])nc2NCc1ccc(-c2ccccc2)cc1	ZINC000045290754	563128760	/nfs/dbraw/zinc/12/87/60/563128760.db2.gz	RAFBMJCGXRZMNF-UHFFFAOYSA-N	1	0	429.572	4.837	1	0		IJAFRO
Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)nc(NCCc2cccs2)[nH+]1	ZINC000045334896	563131201	/nfs/dbraw/zinc/13/12/01/563131201.db2.gz	MDQQTGZQQOAJTL-QFIPXVFZSA-N	1	0	449.624	4.583	1	0		IJAFRO
Nc1cc2cc(-c3cnc(NC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4)s3)ccc2cn1	ZINC000049033246	563135941	/nfs/dbraw/zinc/13/59/41/563135941.db2.gz	XLMDNKMMDBSPSJ-SFHVURJKSA-N	1	0	443.498	4.941	1	0		IJAFRO
[NH3+][C@H](CNc1ncc(-c2ccc3c(c2)CCC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1	ZINC000049035442	563136325	/nfs/dbraw/zinc/13/63/25/563136325.db2.gz	JDMVDVWEHDEPEM-KRWDZBQOSA-N	1	0	446.498	4.696	1	0		IJAFRO
COc1ccc(-c2ccn(-c3ccc4c(cnn4CC[NH+]4CCCC4)c3)c(=O)c2)c(Cl)c1	ZINC000059083880	563146149	/nfs/dbraw/zinc/14/61/49/563146149.db2.gz	GVLBQWMWVVSINT-UHFFFAOYSA-N	1	0	448.954	4.612	1	0		IJAFRO
Cc1ccc([C@H](NC(=O)C2CC[NH+](CCCOc3ccccc3)CC2)c2ccccn2)cc1	ZINC000061906892	563148642	/nfs/dbraw/zinc/14/86/42/563148642.db2.gz	ZUTZAJKZFMLOOR-MHZLTWQESA-N	1	0	443.591	4.777	3	0		IJAFRO
CCC[NH+](CCC)Cc1cc2c(o1)C[C@H]1[C@H]3[C@@H](OC(=O)[C@H]23)[C@H](O)[C@H]2C(C)(C)CCC[C@]12C	ZINC000064573644	563156503	/nfs/dbraw/zinc/15/65/03/563156503.db2.gz	ICBYYLPWSWYBPN-CXSKVGFTSA-N	1	0	443.628	4.906	1	0		IJAFRO
NC(=O)c1ccc2c(c1)CCCN2c1ccc(C[NH2+]C2Cc3ccccc3C2)c(Cl)c1	ZINC000066251881	563159951	/nfs/dbraw/zinc/15/99/51/563159951.db2.gz	FVKGMUUQKBJQCS-UHFFFAOYSA-N	1	0	431.967	4.780	1	0		IJAFRO
COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2ccccc2)CCC[N@H+](C)C1	ZINC000068244597	563161320	/nfs/dbraw/zinc/16/13/20/563161320.db2.gz	SCEGQLOWLADTKA-NRFANRHFSA-N	1	0	438.515	4.787	1	0		IJAFRO
C[N@H+](CCc1ccccc1)[C@@H](CCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000072138213	563164261	/nfs/dbraw/zinc/16/42/61/563164261.db2.gz	OUEYLNMWCLQSIB-DEOSSOPVSA-N	1	0	430.548	4.572	3	0		IJAFRO
Cc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1	ZINC000073139705	563168869	/nfs/dbraw/zinc/16/88/69/563168869.db2.gz	DKKUDYHDGKYYJW-RUZDIDTESA-N	1	0	440.609	4.622	1	0		IJAFRO
CC(=O)N1CCc2ccc(C(=O)CCC[NH+]3CCC(c4ccccc4C)CC3)cc2CC1	ZINC000073159090	563169333	/nfs/dbraw/zinc/16/93/33/563169333.db2.gz	PGGSWVGGPRAFDO-UHFFFAOYSA-N	1	0	432.608	4.785	1	0		IJAFRO
C[NH+](C)CCCCC(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000073198489	563170004	/nfs/dbraw/zinc/17/00/04/563170004.db2.gz	CECMKPFRICKMHJ-UHFFFAOYSA-N	1	0	438.572	4.616	1	0		IJAFRO
Cc1nc2cnc(Oc3ccc4ncsc4c3)cc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000073313943	563172369	/nfs/dbraw/zinc/17/23/69/563172369.db2.gz	IAOJMVQPBCXIRY-KRWDZBQOSA-N	1	0	449.580	4.622	1	0		IJAFRO
Cc1cnc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)nc1-c1ccc(F)c(Cl)c1	ZINC000084616575	563174395	/nfs/dbraw/zinc/17/43/95/563174395.db2.gz	FPEITGWNNSCNRY-UHFFFAOYSA-N	1	0	425.939	4.736	1	0		IJAFRO
CO[C@@H]1Cc2sc([C@H](O)c3ccccc3)cc2C2(CC[NH+](Cc3ccccc3)CC2)O1	ZINC000084757071	563179446	/nfs/dbraw/zinc/17/94/46/563179446.db2.gz	UMYWBSZKHRPVCV-LOSJGSFVSA-N	1	0	435.589	4.866	1	0		IJAFRO
c1coc(-c2cc(N3CC[NH+](Cc4ccccc4)CC3)n3nc(-c4ccccc4)cc3n2)c1	ZINC000095566675	563183572	/nfs/dbraw/zinc/18/35/72/563183572.db2.gz	IBMWXCHFMVIFMB-UHFFFAOYSA-N	1	0	435.531	4.979	1	0		IJAFRO
CCN(C)C(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(O)c(Cl)c2)CC1	ZINC000095665440	563194387	/nfs/dbraw/zinc/19/43/87/563194387.db2.gz	AYJKPBTXOIHUFT-UHFFFAOYSA-N	1	0	430.976	4.575	3	0		IJAFRO
Cc1cccc(-c2ccc([C@H]3[C@H](CO)[N@@H+]4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1	ZINC000095874593	563194710	/nfs/dbraw/zinc/19/47/10/563194710.db2.gz	MGHIWFJUGJUZFB-KMDXXIMOSA-N	1	0	432.530	4.839	1	0		IJAFRO
OC[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3ccncc3)CCCC[N@H+]12	ZINC000095874679	563194886	/nfs/dbraw/zinc/19/48/86/563194886.db2.gz	RIHDTBIOJCGHMQ-UIUBFDNXSA-N	1	0	439.603	4.677	1	0		IJAFRO
COc1cccc(-c2cccn3nc(Nc4ccc(C5CC[NH2+]CC5)cc4)nc23)c1OC	ZINC000096169855	563195448	/nfs/dbraw/zinc/19/54/48/563195448.db2.gz	MPUWGCXLJZFPQX-UHFFFAOYSA-N	1	0	429.524	4.624	1	0		IJAFRO
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(C[NH+](C)C)cc2)s1	ZINC000096927955	563198263	/nfs/dbraw/zinc/19/82/63/563198263.db2.gz	UMOQDMLDLKTMII-UHFFFAOYSA-N	1	0	433.577	4.930	1	0		IJAFRO
CC[NH+](CC)C[C@H](O)CN(Cc1ccc(Cl)cc1)Cc1cc2ccccc2nc1OC	ZINC000096939079	563199980	/nfs/dbraw/zinc/19/99/80/563199980.db2.gz	MSXITZFHBUNLBP-QHCPKHFHSA-N	1	0	442.003	4.602	1	0		IJAFRO
O=c1[nH]c(-c2ccc(-c3ccccc3)cc2)c(CC[NH+]2CCN(c3ccccc3)CC2)o1	ZINC000026293171	132225771	/nfs/dbraw/zinc/22/57/71/132225771.db2.gz	GUDATKSZIXVHFV-UHFFFAOYSA-N	1	0	425.532	4.667	1	0		IJAFRO
Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)NCCc2ccccc2)C1	ZINC000008597746	562954105	/nfs/dbraw/zinc/95/41/05/562954105.db2.gz	IFXXIWZVMIXKDE-NRFANRHFSA-N	1	0	437.971	4.874	1	0		IJAFRO
COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(C[C@H](C)[NH+](C)C)C(=O)[C@@H]2C)cc1	ZINC000013450795	562987356	/nfs/dbraw/zinc/98/73/56/562987356.db2.gz	QJKYHGAXHUSJEM-FRQCXROJSA-N	1	0	434.502	4.973	1	0		IJAFRO
COc1cc2c(cc1OC[C@@H]1CCC[N@H+](C)C1)ncnc2Nc1ccc(Cl)cc1F	ZINC000013472799	562988122	/nfs/dbraw/zinc/98/81/22/562988122.db2.gz	OZVUSEVFXCWUBV-CQSZACIVSA-N	1	0	430.911	4.895	1	0		IJAFRO
CCCC[NH+](CCCC)CCCNC(=O)[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1	ZINC000013478324	562989144	/nfs/dbraw/zinc/98/91/44/562989144.db2.gz	WXWACORYPSAGKX-HXUWFJFHSA-N	1	0	427.511	4.607	3	0		IJAFRO
C[C@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1	ZINC000013523352	562991450	/nfs/dbraw/zinc/99/14/50/562991450.db2.gz	COAUZXWBCIRBQG-NDEPHWFRSA-N	1	0	444.575	4.899	1	0		IJAFRO
N=C1NC(=[NH2+])N[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1c1ccc(Cl)cc1	ZINC000013559320	562993917	/nfs/dbraw/zinc/99/39/17/562993917.db2.gz	XUIBIPYYOOBIOH-LJQANCHMSA-N	1	0	426.307	4.934	1	0		IJAFRO
C[NH2+]CCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1	ZINC000013671975	563000050	/nfs/dbraw/zinc/00/00/50/563000050.db2.gz	ZKAMUYRESJQUBC-UHFFFAOYSA-N	1	0	447.366	4.523	1	0		IJAFRO
[NH2+]=C(NCCCc1c[nH]cn1)NCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1ccccn1	ZINC000013816260	563009441	/nfs/dbraw/zinc/00/94/41/563009441.db2.gz	VNQZAPLJUSLDHS-SFHVURJKSA-N	1	0	445.398	4.770	1	0		IJAFRO
CC(=O)Nc1ccc(SC[C@@H](c2ccccc2)N2CC[N@@H+](CC(C)C)CCC2=O)cc1	ZINC000013830514	563011028	/nfs/dbraw/zinc/01/10/28/563011028.db2.gz	MWLHYYKIIIVAQR-DEOSSOPVSA-N	1	0	439.625	4.669	1	0		IJAFRO
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C\c2ccco2)C(=O)N3)c1)Cc1ccccc1	ZINC000014961604	563016179	/nfs/dbraw/zinc/01/61/79/563016179.db2.gz	RHOXUCVDAMLMFG-NFCNUSAFSA-N	1	0	437.499	4.783	1	0		IJAFRO
COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(C=Cc3cn(C)c4ccc(Cl)cc34)n[nH]2)C1	ZINC000026720376	563035617	/nfs/dbraw/zinc/03/56/17/563035617.db2.gz	SITXHAVZQRLLMP-WHFNLZNOSA-N	1	0	426.948	4.547	1	0		IJAFRO
Cc1n(Cc2ccc(Cl)cc2)cc[n+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000026820629	563036931	/nfs/dbraw/zinc/03/69/31/563036931.db2.gz	ZRLPXFBTBHEHIY-UHFFFAOYSA-O	1	0	444.986	4.647	1	0		IJAFRO
O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000027749503	563046663	/nfs/dbraw/zinc/04/66/63/563046663.db2.gz	DHJXRLMMADSDJP-FQEVSTJZSA-N	1	0	447.941	4.938	1	0		IJAFRO
COc1cc2c(cc1OC)[C@](C)(CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)OCC2	ZINC000027892764	563048067	/nfs/dbraw/zinc/04/80/67/563048067.db2.gz	ZMKBOQJVDYAYHE-VWLOTQADSA-N	1	0	445.003	4.748	1	0		IJAFRO
COc1cc(NCc2ccccc2)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000028231733	563051879	/nfs/dbraw/zinc/05/18/79/563051879.db2.gz	SWVWMJGYKMOWMW-NRFANRHFSA-N	1	0	449.982	4.965	1	0		IJAFRO
CNC(=O)c1cccc(COc2ccc3cc([C@H]([C@H](C)[NH+](C)C)n4ccnc4)ccc3c2)c1	ZINC000028345011	563052977	/nfs/dbraw/zinc/05/29/77/563052977.db2.gz	YRZCYALYRQWTET-SIBVEZHUSA-N	1	0	442.563	4.514	1	0		IJAFRO
C[NH+]1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5ccccn5)cc4)c32)CC1	ZINC000028522526	563056085	/nfs/dbraw/zinc/05/60/85/563056085.db2.gz	BUMADWVVVPZKNG-UHFFFAOYSA-N	1	0	441.535	4.820	1	0		IJAFRO
O=C(c1ccc(C[NH+]2CCCCC2)cc1)N(CCc1ccccc1Cl)[C@H]1CCOC1	ZINC000028823650	563065984	/nfs/dbraw/zinc/06/59/84/563065984.db2.gz	JFFXOTJSGWCHKR-QHCPKHFHSA-N	1	0	426.988	4.800	1	0		IJAFRO
O=C(NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CCCCC1	ZINC000028869750	563067371	/nfs/dbraw/zinc/06/73/71/563067371.db2.gz	DHRNJGBBGGOCDQ-UHFFFAOYSA-N	1	0	433.640	4.870	1	0		IJAFRO
NC(=O)c1ccc2[nH]c(-c3ccc(OCC4CC[NH+](Cc5ccccc5)CC4)cc3)nc2c1	ZINC000028960614	563070739	/nfs/dbraw/zinc/07/07/39/563070739.db2.gz	LTUJRTNXSJGLBT-UHFFFAOYSA-N	1	0	440.547	4.620	1	0	in-vitro	IJAFRO
COc1ccc2ccc(NCCCCC[NH+]3CCN(c4ccccc4OC)CC3)nc2c1	ZINC000029135226	563076111	/nfs/dbraw/zinc/07/61/11/563076111.db2.gz	UAEMHPQLJHXPFP-UHFFFAOYSA-N	1	0	434.584	4.656	1	0		IJAFRO
C[NH+](C)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1	ZINC000029474928	563080780	/nfs/dbraw/zinc/08/07/80/563080780.db2.gz	WRNMUVRKZCPCBA-ACCUITESSA-N	1	0	434.902	4.805	1	0		IJAFRO
COc1cc(-n2cnc3cc(-c4ccccc4)ccc3c2=O)ccc1OCC[NH+]1CCCC1	ZINC000034892300	563088480	/nfs/dbraw/zinc/08/84/80/563088480.db2.gz	NTAIJZUEDLLUEW-UHFFFAOYSA-N	1	0	441.531	4.536	1	0		IJAFRO
[NH3+][C@H](CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1	ZINC000035827374	563090054	/nfs/dbraw/zinc/09/00/54/563090054.db2.gz	WZOVTPHXONVIIJ-SFHVURJKSA-N	1	0	429.471	4.754	1	0		IJAFRO
O=C(NC1CC[NH+](Cc2ccc3sccc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1	ZINC000036126716	563091202	/nfs/dbraw/zinc/09/12/02/563091202.db2.gz	SZJOZHJPOSHWMC-UHFFFAOYSA-N	1	0	436.508	4.541	1	0		IJAFRO
c1c(-c2nc(Cc3ccc4ccccc4c3)no2)c2ccccc2n1CC[NH+]1CCOCC1	ZINC000038399532	563097680	/nfs/dbraw/zinc/09/76/80/563097680.db2.gz	MPDNPCZLXDASSF-UHFFFAOYSA-N	1	0	438.531	4.768	1	0		IJAFRO
Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4CCOCC4)c3)CC2)n1	ZINC000038480598	563097987	/nfs/dbraw/zinc/09/79/87/563097987.db2.gz	MADMFYSIRLKAHF-UHFFFAOYSA-N	1	0	445.607	4.713	1	0		IJAFRO
[NH3+][C@H](CNc1ncc(-c2ccc3cncnc3c2)s1)Cc1ccc(C(F)(F)F)cc1	ZINC000043154090	563119152	/nfs/dbraw/zinc/11/91/52/563119152.db2.gz	UKXIKQXJARSCKC-KRWDZBQOSA-N	1	0	429.471	4.754	1	0		IJAFRO
COc1ccc(-c2ccc(NC(=O)c3cccs3)cc2)cc1CN1CCC[N@H+](C)CC1	ZINC000045202951	563125195	/nfs/dbraw/zinc/12/51/95/563125195.db2.gz	CSZJYAGYEKLKDJ-UHFFFAOYSA-N	1	0	435.593	4.814	1	0		IJAFRO
O=C(Nc1ccc2c(c1)CCN2[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccco1	ZINC000045227316	563125516	/nfs/dbraw/zinc/12/55/16/563125516.db2.gz	SZEGSVOIZFSBJT-HXUWFJFHSA-N	1	0	439.918	4.961	1	0		IJAFRO
CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)C[N@@H+](C)CCC2	ZINC000045229462	563125951	/nfs/dbraw/zinc/12/59/51/563125951.db2.gz	ZJNZRCAZJOBNDK-YRNVUSSQSA-N	1	0	429.358	4.878	1	0		IJAFRO
CCCc1cc(=O)oc2c1c1c(c3c2C(=O)C[C@@H](C[NH+]2CCCCC2)O3)C=CC(C)(C)O1	ZINC000045315302	563129773	/nfs/dbraw/zinc/12/97/73/563129773.db2.gz	SYEAIRZPSIFDMY-KRWDZBQOSA-N	1	0	437.536	4.749	1	0		IJAFRO
CC(C)CNC(=O)c1cnc(NCCC[N@@H+]2CCCC[C@H]2C)nc1NCC1CCCCC1	ZINC000045320933	563130202	/nfs/dbraw/zinc/13/02/02/563130202.db2.gz	XZYILENDTWXLGF-HXUWFJFHSA-N	1	0	444.668	4.531	1	0		IJAFRO
Cc1nc(SCc2cc(N3CCSCC3)cc(NCc3cccc(C)n3)[nH+]2)oc1C	ZINC000045325018	563130993	/nfs/dbraw/zinc/13/09/93/563130993.db2.gz	ARDIAMNHXOVJPO-UHFFFAOYSA-N	1	0	441.626	4.847	1	0		IJAFRO
COc1ccc(NC(=O)[C@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)cc1	ZINC000045355676	563132626	/nfs/dbraw/zinc/13/26/26/563132626.db2.gz	FZYMAUQRNZROJG-JOCHJYFZSA-N	1	0	431.517	4.953	1	0		IJAFRO
Cc1ccc2c(cccc2N2CC[NH+](CCc3ccc(F)c(-c4cncnc4)c3)CC2)n1	ZINC000053295972	563141819	/nfs/dbraw/zinc/14/18/19/563141819.db2.gz	FJHDUESDFOWGRO-UHFFFAOYSA-N	1	0	427.527	4.504	1	0		IJAFRO
CS(=O)(=O)c1ccc(Nc2nc([C@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)cc1	ZINC000061904507	563148184	/nfs/dbraw/zinc/14/81/84/563148184.db2.gz	RYNFYQXQEUYTFI-MRXNPFEDSA-N	1	0	441.500	4.552	3	0		IJAFRO
O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cc(Cl)cc(Cl)c1	ZINC000064251713	563152453	/nfs/dbraw/zinc/15/24/53/563152453.db2.gz	ZIJBDKVFXXBXSL-HXUWFJFHSA-N	1	0	427.397	4.889	1	0		IJAFRO
O=C1C(=O)N(CCCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)c2cccc(Cl)c21	ZINC000064475263	563153662	/nfs/dbraw/zinc/15/36/62/563153662.db2.gz	GGJBNMWOGVRSLM-UHFFFAOYSA-N	1	0	433.817	4.939	1	0		IJAFRO
Cc1c2c(ccc1OCCCC[NH+]1CCN(c3cccc4cc(F)ccc43)CC1)CNC2=O	ZINC000064548733	563155502	/nfs/dbraw/zinc/15/55/02/563155502.db2.gz	SQYPQMRQPRGYNU-UHFFFAOYSA-N	1	0	447.554	4.512	1	0		IJAFRO
COc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)c(C[NH3+])c1	ZINC000066102059	563158484	/nfs/dbraw/zinc/15/84/84/563158484.db2.gz	HJJHPNDUMFXUSH-XMMPIXPASA-N	1	0	427.552	4.505	1	0		IJAFRO
Cc1ccc([C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)cc1	ZINC000066258340	563160222	/nfs/dbraw/zinc/16/02/22/563160222.db2.gz	FUBPHSRCDWKBAW-IOUIBGKWSA-N	1	0	428.557	4.965	1	0		IJAFRO
O=C(Nc1ccccc1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1ccccn1	ZINC000072142763	563164899	/nfs/dbraw/zinc/16/48/99/563164899.db2.gz	XROYXJTUYJBTOK-UHFFFAOYSA-N	1	0	431.536	4.778	1	0		IJAFRO
O=C(c1nccs1)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000072184645	563167876	/nfs/dbraw/zinc/16/78/76/563167876.db2.gz	WHNRKEGQQWVYRC-IBGZPJMESA-N	1	0	446.498	4.541	1	0		IJAFRO
C[N@@H+]1CCc2ccc(C(=O)CCC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2CC1	ZINC000073159937	563169417	/nfs/dbraw/zinc/16/94/17/563169417.db2.gz	PMJDLGXCYJSEDH-UHFFFAOYSA-N	1	0	438.999	4.740	1	0		IJAFRO
Cc1cc(Cl)ccc1Nc1nc2ccc(N(C)C(=O)/C=C/C[NH+](C)C)cc2n2cncc12	ZINC000073168225	563169640	/nfs/dbraw/zinc/16/96/40/563169640.db2.gz	TUXWNBBOYVMMRJ-AATRIKPKSA-N	1	0	448.958	4.669	1	0		IJAFRO
CC(C)c1c(OC[C@@H](O)CN2CC[NH+](C)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C	ZINC000073198203	563169972	/nfs/dbraw/zinc/16/99/72/563169972.db2.gz	HXBWRNYGCCWTLO-HPKXWHFBSA-N	1	0	442.688	4.827	1	0		IJAFRO
c1cc2c(NCCC[NH2+]CCNc3nc4ccccc4n4cccc34)nc3ccccc3n2c1	ZINC000084728040	563178311	/nfs/dbraw/zinc/17/83/11/563178311.db2.gz	WCNDNGRGMWDUMQ-UHFFFAOYSA-N	1	0	449.562	4.792	1	0		IJAFRO
[NH3+][C@H]1CCc2ccc(OCCNC(=O)CC3CC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000088260733	563180061	/nfs/dbraw/zinc/18/00/61/563180061.db2.gz	QAZDEMPMURASQS-REWPJTCUSA-N	1	0	447.406	4.888	1	0		IJAFRO
CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1F)S2	ZINC000095555453	563181288	/nfs/dbraw/zinc/18/12/88/563181288.db2.gz	FZSWPUOTMIRFQO-GFHXCNCHSA-N	1	0	439.556	4.515	1	0		IJAFRO
Clc1ccc(-n2c(-c3ccccc3Cl)nc3c2ncnc3N[C@@H]2CCC[NH2+]C2)cc1	ZINC000095573308	563185020	/nfs/dbraw/zinc/18/50/20/563185020.db2.gz	SWVBLRIGEBKRCW-OAHLLOKOSA-N	1	0	439.350	4.953	1	0		IJAFRO
Cc1csc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CC[NH+](C)CC4)cc3)n2)n1	ZINC000096174453	563196074	/nfs/dbraw/zinc/19/60/74/563196074.db2.gz	FSGBXOOOKITBSX-UHFFFAOYSA-N	1	0	447.564	4.572	1	0		IJAFRO
Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc54)cc(F)c31)[C@H]1CC[C@@H](C2)[NH2+]1	ZINC000096175301	563196180	/nfs/dbraw/zinc/19/61/80/563196180.db2.gz	JLVIWUPZBQHIEA-YVEFUNNKSA-N	1	0	426.538	4.714	1	0		IJAFRO
Cc1ccc(-c2nc(SCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n[nH]2)cc1	ZINC000096934135	563199199	/nfs/dbraw/zinc/19/91/99/563199199.db2.gz	KGAOUCBNSMRNSQ-UHFFFAOYSA-N	1	0	428.005	4.738	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCC[N@@H+]31)OC(=O)CCc1ccc(O)c-2c1	ZINC000014828729	291391179	/nfs/dbraw/zinc/39/11/79/291391179.db2.gz	CUPVWBKZXUQNOL-SPEDKVCISA-N	1	0	437.536	4.624	1	0	biogenic,in-vitro	IJAFRO
COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1N1CC[NH+](C)CC1	ZINC000000592436	562918362	/nfs/dbraw/zinc/91/83/62/562918362.db2.gz	YPWHYQXVWCZLSV-XNTDXEJSSA-N	1	0	427.548	4.766	1	0		IJAFRO
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCCC[NH3+])CC[C@@]43C)[C@@]1(O)CC[C@@H]2[C@H]1COC(=O)C1	ZINC000003943735	562939690	/nfs/dbraw/zinc/93/96/90/562939690.db2.gz	LVRAHHPKVWTPRL-JPUPMIIMSA-N	1	0	449.701	4.774	1	0		IJAFRO
CN(C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1	ZINC000006010253	562945801	/nfs/dbraw/zinc/94/58/01/562945801.db2.gz	SHOSXOJPKBDSIE-DSNGMDLFSA-N	1	0	449.595	4.520	1	0		IJAFRO
C[C@H](CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)c1ccccc1	ZINC000012317904	562981148	/nfs/dbraw/zinc/98/11/48/562981148.db2.gz	REFULGMCXJDTEN-OAQYLSRUSA-N	1	0	429.564	4.659	3	0		IJAFRO
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC2(C[C@@H]1C[NH+]1CCCC1)SCCS2	ZINC000013449252	562987076	/nfs/dbraw/zinc/98/70/76/562987076.db2.gz	SGEUQNMYMXIUJI-MRXNPFEDSA-N	1	0	445.481	4.799	1	0		IJAFRO
C/C=C(\C)C(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)[C@H]1O	ZINC000013587854	562995804	/nfs/dbraw/zinc/99/58/04/562995804.db2.gz	VLFYYOVMWNJQBE-KFRXLHHWSA-N	1	0	442.688	4.937	1	0		IJAFRO
COc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(Br)c2ccccc21	ZINC000013862868	563013156	/nfs/dbraw/zinc/01/31/56/563013156.db2.gz	UWMANVFYGMUYDW-OAHLLOKOSA-N	1	0	431.374	4.748	1	0		IJAFRO
c1ccc(CCC[NH+]2CCN(CCCN(Cc3ccccc3)c3ccccn3)CC2)cc1	ZINC000022925702	563025913	/nfs/dbraw/zinc/02/59/13/563025913.db2.gz	DYQUSDHMMXTDDC-UHFFFAOYSA-N	1	0	428.624	4.729	1	0		IJAFRO
FC(F)(F)c1cc(COC[C@H](c2cccs2)N2CC[NH2+]CC2)cc(C(F)(F)F)c1	ZINC000022926917	563026063	/nfs/dbraw/zinc/02/60/63/563026063.db2.gz	SYKPKIXOVNHMMP-MRXNPFEDSA-N	1	0	438.437	4.949	1	0		IJAFRO
O[C@@H](CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1	ZINC000022927432	563026183	/nfs/dbraw/zinc/02/61/83/563026183.db2.gz	OQYPLENQYOPPFV-DEOSSOPVSA-N	1	0	436.621	4.595	1	0		IJAFRO
C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CCC2)cc1	ZINC000025967445	563027797	/nfs/dbraw/zinc/02/77/97/563027797.db2.gz	CGLAXSYMFVYKRL-NBGIEHNGSA-N	1	0	429.576	4.536	1	0		IJAFRO
NC(=O)c1ccc2c(c1)CCO[C@@H]2CC[N@H+]1CC=C(c2csc3cc(F)ccc32)CC1	ZINC000026490195	563032441	/nfs/dbraw/zinc/03/24/41/563032441.db2.gz	ADEBGCBREGNKQR-HSZRJFAPSA-N	1	0	436.552	4.933	1	0		IJAFRO
C[C@H]1C[C@H](c2c[nH]c3cc(F)ccc32)CC[N@@H+]1CC[C@@H]1OCCc2cc(C(N)=O)ccc21	ZINC000026494577	563032602	/nfs/dbraw/zinc/03/26/02/563032602.db2.gz	ZEJSMIRALRRUAZ-QLODZENZSA-N	1	0	435.543	4.678	1	0		IJAFRO
Cc1ccc(Cl)cc1N1CC[NH+](CCCCOc2ccc3c(c2)NC(=O)CC3)CC1	ZINC000027727040	563045985	/nfs/dbraw/zinc/04/59/85/563045985.db2.gz	GFUFMFYMQFMSSE-UHFFFAOYSA-N	1	0	427.976	4.514	1	0		IJAFRO
Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(S(N)(=O)=O)cc1	ZINC000027989454	563048868	/nfs/dbraw/zinc/04/88/68/563048868.db2.gz	NGASSBVQGNZOML-UHFFFAOYSA-N	1	0	429.565	4.507	1	0		IJAFRO
CC[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000028107777	563050710	/nfs/dbraw/zinc/05/07/10/563050710.db2.gz	DLKAESHNMPTXAJ-NAVKQXHLSA-N	1	0	432.358	4.928	1	0		IJAFRO
O=C1OC2(CCC([NH+]3CCC(Cc4ccccc4F)CC3)CC2)c2ccc3c(c21)OCO3	ZINC000028381900	563054076	/nfs/dbraw/zinc/05/40/76/563054076.db2.gz	ATDDXGHDHWWWJY-UHFFFAOYSA-N	1	0	437.511	4.817	1	0		IJAFRO
COc1ccc(-c2cc(-c3ccncc3)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1	ZINC000028473673	563055663	/nfs/dbraw/zinc/05/56/63/563055663.db2.gz	JHGKWXLLDHFTPB-UHFFFAOYSA-N	1	0	437.547	4.536	1	0		IJAFRO
CCN(CC)CC(=O)O[C@@H]1CC2([NH+](C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000028863247	563067076	/nfs/dbraw/zinc/06/70/76/563067076.db2.gz	UEUBYTWMTBOKMC-OPCUNRFSSA-N	1	0	434.624	4.922	1	0		IJAFRO
Oc1ccc(-c2ccc(-c3cc(Nc4ccc(C[NH2+]CC5CC5)nc4)n[nH]3)cc2)c(O)c1	ZINC000028868366	563067406	/nfs/dbraw/zinc/06/74/06/563067406.db2.gz	OFJFSIZAKNEZOE-UHFFFAOYSA-N	1	0	427.508	4.793	1	0		IJAFRO
CSc1cccc(N2C(=O)CN(C3CC[NH+](CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)C2=O)c1	ZINC000028957103	563070450	/nfs/dbraw/zinc/07/04/50/563070450.db2.gz	DRMXFAVULZSLJY-AVRDEDQJSA-N	1	0	439.625	4.634	1	0		IJAFRO
Cc1ccc(C(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1	ZINC000029394861	563079189	/nfs/dbraw/zinc/07/91/89/563079189.db2.gz	CQRJIWLCJUYMPE-UHFFFAOYSA-N	1	0	441.619	4.764	1	0		IJAFRO
CN(C(=O)[C@@H]1CCc2csc3cccc1c23)[C@H]1CC[C@]2(CCCO2)C[C@@H]1[NH+]1CCCC1	ZINC000029553885	563082017	/nfs/dbraw/zinc/08/20/17/563082017.db2.gz	MPLOOKCTVWUMQO-FYBXHKAZSA-N	1	0	438.637	4.956	1	0		IJAFRO
CN1C(=O)N(C2CC[NH+](Cc3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1	ZINC000034802134	563087590	/nfs/dbraw/zinc/08/75/90/563087590.db2.gz	PEVGVLCERDITEB-UHFFFAOYSA-N	1	0	425.576	4.962	1	0		IJAFRO
OCC[N@@H+]1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2	ZINC000036093079	563090946	/nfs/dbraw/zinc/09/09/46/563090946.db2.gz	QIFYCDNAYDWBME-UPVQGACJSA-N	1	0	428.979	4.979	1	0		IJAFRO
Cc1[nH]c([C@@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2ccccc2)nc1-c1ccccc1	ZINC000036216159	563092061	/nfs/dbraw/zinc/09/20/61/563092061.db2.gz	PYZJCIQLZQUISG-DQEYMECFSA-N	1	0	436.559	4.581	1	0		IJAFRO
COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2cccc3ccccc32)cc1	ZINC000038147661	563096331	/nfs/dbraw/zinc/09/63/31/563096331.db2.gz	AKPJKVQQBSNRID-ZYKLXPEUSA-N	1	0	438.593	4.789	1	0	in-vitro	IJAFRO
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1CO)C1CC1	ZINC000038450453	563097746	/nfs/dbraw/zinc/09/77/46/563097746.db2.gz	MHUDJPFAKWQGOA-XNMGPUDCSA-N	1	0	433.592	4.772	1	0		IJAFRO
CC1(C)[NH2+]C(C)(C)C(c2cccc(C(F)(F)F)c2)=C1c1nc2c(cccc2C(N)=O)[nH]1	ZINC000040403342	563101120	/nfs/dbraw/zinc/10/11/20/563101120.db2.gz	UEGCCCVWIUOBDC-UHFFFAOYSA-N	1	0	428.458	4.752	1	0		IJAFRO
CC(C)[C@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)CCc1ccc(F)cc1	ZINC000040499292	563104153	/nfs/dbraw/zinc/10/41/53/563104153.db2.gz	PGTXGSOJJNJARN-ZBKJKTKLSA-N	1	0	440.603	4.904	1	0		IJAFRO
C[NH+](C)C[C@@H](c1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2)c1ccccc1	ZINC000040503628	563104160	/nfs/dbraw/zinc/10/41/60/563104160.db2.gz	MTXJOBXVSXVLLV-OAQYLSRUSA-N	1	0	441.966	4.965	1	0		IJAFRO
Cc1ccc2c(cccc2O[C@H](C)C[NH+]2CCC(Cc3ccc4c(c3)NC(=O)CO4)CC2)n1	ZINC000040938106	563113139	/nfs/dbraw/zinc/11/31/39/563113139.db2.gz	MYQPEMWGPYOTRE-LJQANCHMSA-N	1	0	445.563	4.596	1	0		IJAFRO
CCC[N@H+](CCCCn1ccc2cc(F)ccc21)[C@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040939384	563113316	/nfs/dbraw/zinc/11/33/16/563113316.db2.gz	UVAUNLUVSFGRMF-LJQANCHMSA-N	1	0	441.522	4.514	1	0	in-vitro	IJAFRO
O=C1CC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)CN1	ZINC000040954347	563114498	/nfs/dbraw/zinc/11/44/98/563114498.db2.gz	RPIHNHCHUCLQRX-HSZRJFAPSA-N	1	0	427.386	4.509	1	0		IJAFRO
O=CN1CCC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1	ZINC000040972672	563114942	/nfs/dbraw/zinc/11/49/42/563114942.db2.gz	ZCILIXHTWZDACI-DEOSSOPVSA-N	1	0	441.413	4.851	1	0		IJAFRO
Cc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)c2ccccc(OCC[N@@H+]3CCC[C@H]3CO)c1-2	ZINC000043204001	563119538	/nfs/dbraw/zinc/11/95/38/563119538.db2.gz	ZAXCRUCBIGQULY-FVHJOOJJSA-N	1	0	446.522	4.567	1	0		IJAFRO
O=C(Nc1cccnc1)c1ccc(-c2cc3ccncc3cc2OC2CC[NH2+]CC2)s1	ZINC000045166861	563122252	/nfs/dbraw/zinc/12/22/52/563122252.db2.gz	HRMFJFCMTQRFOK-UHFFFAOYSA-N	1	0	430.533	4.741	1	0		IJAFRO
CCCNC(=O)Nc1cc2cc(-c3ccc(C[NH+]4CCCC4)cc3)ccc2n2c(C)nnc12	ZINC000045192471	563123806	/nfs/dbraw/zinc/12/38/06/563123806.db2.gz	GHKSTUOFYXVZDM-UHFFFAOYSA-N	1	0	442.567	4.985	1	0		IJAFRO
Cc1cccc(CNc2nc(N[C@@H](CC(C)C)C(=O)NCc3cccc(F)c3)cc(C)[nH+]2)c1	ZINC000045193239	563123996	/nfs/dbraw/zinc/12/39/96/563123996.db2.gz	CDNLCKKZIZPJDF-QHCPKHFHSA-N	1	0	449.574	4.988	1	0		IJAFRO
CC[C@H](C)CNC(=O)c1ccnc(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)c1	ZINC000045195815	563124476	/nfs/dbraw/zinc/12/44/76/563124476.db2.gz	QKCHZTHCIFLULM-NRFANRHFSA-N	1	0	434.628	4.585	1	0		IJAFRO
NC(=O)C1CC[NH+](Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)CC1	ZINC000045196375	563124575	/nfs/dbraw/zinc/12/45/75/563124575.db2.gz	KSQAKWFMYBOYIH-UHFFFAOYSA-N	1	0	428.511	4.733	1	0		IJAFRO
C[N@H+](Cc1cccc(F)c1)C1CCN(c2cc(NC(=O)c3cccc(F)c3)ccn2)CC1	ZINC000045201489	563124727	/nfs/dbraw/zinc/12/47/27/563124727.db2.gz	CJKRXRGCBDILIZ-UHFFFAOYSA-N	1	0	436.506	4.713	1	0		IJAFRO
Cc1cc(C[N@@H+]2CC[C@H](N3CC(c4ccccc4)(c4ccccc4)OC3=O)C2)ccc1O	ZINC000045231193	563126223	/nfs/dbraw/zinc/12/62/23/563126223.db2.gz	XOFFDHBXSNLCEF-DEOSSOPVSA-N	1	0	428.532	4.671	1	0		IJAFRO
Cn1nccc1-c1cc(NC(=O)Nc2ccccc2F)ccc1OCC[NH+]1CCCCC1	ZINC000045253296	563126835	/nfs/dbraw/zinc/12/68/35/563126835.db2.gz	DJNUUZQLRPLLSY-UHFFFAOYSA-N	1	0	437.519	4.735	1	0		IJAFRO
Cc1nc(SCc2cc(N3CCSCC3)cc(NCc3cccc(F)n3)[nH+]2)oc1C	ZINC000045253487	563126928	/nfs/dbraw/zinc/12/69/28/563126928.db2.gz	VHXIGWBNHFNHHI-UHFFFAOYSA-N	1	0	445.589	4.678	1	0		IJAFRO
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1	ZINC000049124601	563138862	/nfs/dbraw/zinc/13/88/62/563138862.db2.gz	AVKRZFFIGQFMTG-MHZLTWQESA-N	1	0	437.543	4.867	1	0		IJAFRO
CNC(=O)[C@@H](C)[N@@H+]1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13	ZINC000058563811	563144563	/nfs/dbraw/zinc/14/45/63/563144563.db2.gz	YMYGEOPFJNSLOI-CLHVMGEFSA-N	1	0	436.571	4.598	1	0		IJAFRO
COc1ccc(C[C@@H]([NH3+])c2csc(NC(=O)c3cccc(OC(F)(F)F)c3)n2)cc1	ZINC000061896803	563147491	/nfs/dbraw/zinc/14/74/91/563147491.db2.gz	ZHHKQKGCGKJACE-MRXNPFEDSA-N	1	0	437.443	4.545	3	0		IJAFRO
[NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)NCCc2ccccc2)n1	ZINC000061904179	563148059	/nfs/dbraw/zinc/14/80/59/563148059.db2.gz	QIZOFAYTXRVSON-KRWDZBQOSA-N	1	0	434.487	4.769	3	0		IJAFRO
Oc1ccc2c(c1)[C@]13CC[N@@H+](Cc4ccccc4)[C@H](C2)[C@]1(O)Cc1cc2ccccc2nc1C3	ZINC000064528031	563154660	/nfs/dbraw/zinc/15/46/60/563154660.db2.gz	XTDMXQAQZMTUSH-IDZRBWSNSA-N	1	0	448.566	4.539	1	0		IJAFRO
CCN(CC)C(=O)N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000072101686	563162744	/nfs/dbraw/zinc/16/27/44/563162744.db2.gz	BKZFZZPWZOOKQZ-OAQYLSRUSA-N	1	0	434.506	4.706	1	0		IJAFRO
CC(C)Oc1ccc([C@H](c2cccnc2)[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1	ZINC000072102493	563162843	/nfs/dbraw/zinc/16/28/43/563162843.db2.gz	DWTLQSKVWZWBGL-AREMUKBSSA-N	1	0	429.564	4.853	1	0		IJAFRO
Cc1cccc(C)c1Oc1c(C(=O)N2CC[NH2+]CC2)c2c[nH]c(=O)cc2n1C1CCCCC1	ZINC000072181843	563167338	/nfs/dbraw/zinc/16/73/38/563167338.db2.gz	GCANNBBXPSMLMC-UHFFFAOYSA-N	1	0	448.567	4.702	1	0		IJAFRO
C[C@@H]1CCC[N@@H+]1CCc1ccc(-c2ccc(S(=O)(=O)C[C@H]3CCCCO3)cc2)cc1	ZINC000073224823	563171081	/nfs/dbraw/zinc/17/10/81/563171081.db2.gz	AHDCQPKUMADGLJ-HYBUGGRVSA-N	1	0	427.610	4.723	1	0		IJAFRO
CC(=O)NCCc1ccccc1-c1ccc([C@H]2C[NH2+]CC[C@@H]2c2cccnc2)c(Cl)c1	ZINC000073295499	563172068	/nfs/dbraw/zinc/17/20/68/563172068.db2.gz	JZXXXZXRYGKIQA-NOZRDPDXSA-N	1	0	433.983	4.941	1	0		IJAFRO
C[NH+](C)CCOc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2C2=CCCC2)cc1	ZINC000084687970	563175963	/nfs/dbraw/zinc/17/59/63/563175963.db2.gz	UGWUZQMVZBEBRJ-NRFANRHFSA-N	1	0	447.583	4.724	1	0		IJAFRO
Cc1cc(N2CCN([C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)CC2)c2ccccc2[nH+]1	ZINC000095567305	563183749	/nfs/dbraw/zinc/18/37/49/563183749.db2.gz	GJGIVCAEXBDCJK-AREMUKBSSA-N	1	0	446.570	4.604	3	0		IJAFRO
Cc1cc(N2CCN([C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)CC2)c2ccccc2[nH+]1	ZINC000095567304	563183753	/nfs/dbraw/zinc/18/37/53/563183753.db2.gz	GJGIVCAEXBDCJK-SANMLTNESA-N	1	0	446.570	4.604	3	0		IJAFRO
CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCOc2ccccc2-c2ccccc2)C1	ZINC000095571984	563184629	/nfs/dbraw/zinc/18/46/29/563184629.db2.gz	OEDUGORPKTWVRC-JOCHJYFZSA-N	1	0	430.548	4.635	1	0		IJAFRO
Cn1cc2c(c1)c(OCC1CC[NH+](CCc3ccc(CO)cc3)CC1)nc1ccccc21	ZINC000095579274	563186961	/nfs/dbraw/zinc/18/69/61/563186961.db2.gz	KVVCXQIQAOOKFF-UHFFFAOYSA-N	1	0	429.564	4.552	1	0		IJAFRO
COc1cccc(CN(CCC[NH+]2CCCC2)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1	ZINC000095588607	563189466	/nfs/dbraw/zinc/18/94/66/563189466.db2.gz	NVKYTICRJOAXIM-UHFFFAOYSA-N	1	0	433.556	4.605	1	0		IJAFRO
F[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn43)nc21	ZINC000096175057	563196169	/nfs/dbraw/zinc/19/61/69/563196169.db2.gz	NLZJFVXOFCFQHC-IFMALSPDSA-N	1	0	439.494	4.690	1	0		IJAFRO
O[C@@H](C[NH2+]CCOc1ccccc1C(F)(F)F)COc1ccc2c(c1)[nH]c1ccccc12	ZINC000096939572	563200112	/nfs/dbraw/zinc/20/01/12/563200112.db2.gz	ZPLNQEPVAFBUGP-INIZCTEOSA-N	1	0	444.453	4.748	1	0		IJAFRO
O=c1oc(CC[NH+]2CCN(c3ccccc3)CC2)c(-c2ccc(F)cc2)n1-c1ccccc1	ZINC000026293489	132225806	/nfs/dbraw/zinc/22/58/06/132225806.db2.gz	ZWFICUBKYMXFCW-UHFFFAOYSA-N	1	0	443.522	4.601	1	0		IJAFRO
COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCC[NH+](C)C)C(=O)[C@@H]2C)cc1	ZINC000013450823	562987380	/nfs/dbraw/zinc/98/73/80/562987380.db2.gz	WHVZQXQPOMXYFL-VQIMIIECSA-N	1	0	434.502	4.975	1	0		IJAFRO
O=C(NCC/C=C/c1ccccc1)c1ccccc1C[N@H+]1CCc2ccc(O)cc2CC1	ZINC000013589149	562996266	/nfs/dbraw/zinc/99/62/66/562996266.db2.gz	YUYNUVNOOFKHBQ-UXBLZVDNSA-N	1	0	426.560	4.826	1	0		IJAFRO
O=C(c1ccc(-c2ccc3oc(CC[NH+]4CCCCCC4)cc3c2)cc1)N1CCOCC1	ZINC000013589411	562996379	/nfs/dbraw/zinc/99/63/79/562996379.db2.gz	DCLOKKGTZFTADV-UHFFFAOYSA-N	1	0	432.564	4.991	1	0		IJAFRO
COc1ccc(SC[C@H](CC(C)C)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1	ZINC000013661753	562999812	/nfs/dbraw/zinc/99/98/12/562999812.db2.gz	OGXIEJLUFRLHBV-QHCPKHFHSA-N	1	0	440.653	4.979	3	0		IJAFRO
O=C(NCC[NH+]1CCC(c2noc3cc(Cl)ccc32)CC1)c1nsc2ccccc21	ZINC000013737874	563002629	/nfs/dbraw/zinc/00/26/29/563002629.db2.gz	SKJNVPGYOBEJTP-UHFFFAOYSA-N	1	0	440.956	4.700	1	0		IJAFRO
Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc([C@H](O)C(C)C)cc3c2n1CCC3	ZINC000013740425	563003079	/nfs/dbraw/zinc/00/30/79/563003079.db2.gz	DZJOJNOUNUUCOM-MUUNZHRXSA-N	1	0	446.639	4.653	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1	ZINC000013756313	563004482	/nfs/dbraw/zinc/00/44/82/563004482.db2.gz	UNHGFWKSHHCRHF-JWQCQUIFSA-N	1	0	435.520	4.562	1	0		IJAFRO
C[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCO[C@@H]2CCCCO2)CC1	ZINC000013797110	563007449	/nfs/dbraw/zinc/00/74/49/563007449.db2.gz	JKSRYWNYDVMKPA-RUZDIDTESA-N	1	0	449.570	4.878	1	0		IJAFRO
O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC1c2ccccc2C=Cc2ccccc21	ZINC000013820542	563009911	/nfs/dbraw/zinc/00/99/11/563009911.db2.gz	HWRMATDZWKIPIN-UHFFFAOYSA-N	1	0	437.587	4.978	1	0		IJAFRO
[NH3+][C@H](COc1cncc(-c2cccc(Nc3ncccn3)c2)c1)Cc1c[nH]c2ccccc12	ZINC000014957536	563015908	/nfs/dbraw/zinc/01/59/08/563015908.db2.gz	FVTWTVHLHUNJHF-NRFANRHFSA-N	1	0	436.519	4.712	1	0		IJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12	ZINC000014961720	563016195	/nfs/dbraw/zinc/01/61/95/563016195.db2.gz	YBFUTVSSQNLDCI-IBGZPJMESA-N	1	0	426.442	4.901	1	0		IJAFRO
Oc1ccc(/C=C/CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000022939405	563026664	/nfs/dbraw/zinc/02/66/64/563026664.db2.gz	CMZNUXVOUGBEOW-BQYQJAHWSA-N	1	0	428.576	4.829	1	0		IJAFRO
NC(=O)c1ccc2c(c1)CCO[C@@H]2CC[N@H+]1CC=C(c2cccc3ccc(F)cc32)CC1	ZINC000026500538	563032684	/nfs/dbraw/zinc/03/26/84/563032684.db2.gz	XZGSTXKWHGPPEV-AREMUKBSSA-N	1	0	430.523	4.871	1	0		IJAFRO
CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](C3)OC(=O)[C@H]2CCCCC(N)=[NH2+])c1	ZINC000027439997	563042444	/nfs/dbraw/zinc/04/24/44/563042444.db2.gz	YQFGGSBJTHWMMZ-RSEQLOHWSA-N	1	0	447.579	4.513	1	0		IJAFRO
C[C@@H](C(=O)N(C)c1ccc(Cl)cc1)C1(O)CC[NH+](CCc2ccccc2Cl)CC1	ZINC000027555167	563043729	/nfs/dbraw/zinc/04/37/29/563043729.db2.gz	WVSCSFRLOFTKGP-KRWDZBQOSA-N	1	0	435.395	4.662	1	0		IJAFRO
C/C=C(\C)C(=O)N[C@@H]1C=C2CC[C@H]3[C@@H]4CC=C([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O	ZINC000027558029	563043896	/nfs/dbraw/zinc/04/38/96/563043896.db2.gz	SFKQLDFGZQMCLQ-QBHBXPQWSA-N	1	0	440.672	4.857	1	0		IJAFRO
COc1cc2c(cc1OC)C(C)(C)CO[C@@H]2CC[NH+]1CCN(c2ccc(Cl)cc2)CC1	ZINC000027882345	563047840	/nfs/dbraw/zinc/04/78/40/563047840.db2.gz	BXLZGQFRRWMZQC-JOCHJYFZSA-N	1	0	445.003	4.918	1	0		IJAFRO
O=C(CCC[NH+]1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1)c1ccccc1	ZINC000027979950	563048578	/nfs/dbraw/zinc/04/85/78/563048578.db2.gz	SFBCMNOFRXDIBU-UHFFFAOYSA-N	1	0	433.474	4.954	1	0		IJAFRO
Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)CC1	ZINC000028134947	563051508	/nfs/dbraw/zinc/05/15/08/563051508.db2.gz	LQDMIPOAVWGTKP-UHFFFAOYSA-N	1	0	426.551	4.761	1	0		IJAFRO
CC(C)OC[C@H](O)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1	ZINC000028527234	563057041	/nfs/dbraw/zinc/05/70/41/563057041.db2.gz	KEUKMNZDHGINNL-HSZRJFAPSA-N	1	0	437.559	4.848	1	0		IJAFRO
O=C(NCC[NH+]1CCCC1)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1	ZINC000028563483	563057671	/nfs/dbraw/zinc/05/76/71/563057671.db2.gz	RHPZNJJJKFQSAG-UHFFFAOYSA-N	1	0	443.576	4.928	1	0		IJAFRO
O=C(CCC[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(F)cc1F	ZINC000028647167	563060882	/nfs/dbraw/zinc/06/08/82/563060882.db2.gz	OMOGKOJTUGAVDT-UHFFFAOYSA-N	1	0	442.337	4.808	1	0		IJAFRO
CN(C)C(=O)c1cc(OCCC[NH+]2CCCCC2)ccc1OCc1ccccc1Cl	ZINC000028703638	563061802	/nfs/dbraw/zinc/06/18/02/563061802.db2.gz	DSABCKFCVLVXGS-UHFFFAOYSA-N	1	0	430.976	4.876	1	0		IJAFRO
CCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1C/C=C/c1cc(N)ccc1OC	ZINC000028758376	563063464	/nfs/dbraw/zinc/06/34/64/563063464.db2.gz	BZFKMFXKXIVGFZ-BUUKXYNASA-N	1	0	447.583	4.743	1	0		IJAFRO
CC[N@H+](CCCCOCc1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1	ZINC000028766999	563064213	/nfs/dbraw/zinc/06/42/13/563064213.db2.gz	XHUPUUOMSBESNX-HSZRJFAPSA-N	1	0	427.585	4.889	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCC[C@@H]2CCCN2C(=O)C2CCCCC2)CC1	ZINC000028819994	563065251	/nfs/dbraw/zinc/06/52/51/563065251.db2.gz	KVMZOTTULOREGX-HSZRJFAPSA-N	1	0	427.633	4.559	1	0		IJAFRO
O=C(c1ccc(OCc2ccccc2)cc1)N(CCc1ccccc1Cl)[C@@H]1CC[NH2+]C1	ZINC000028823626	563065946	/nfs/dbraw/zinc/06/59/46/563065946.db2.gz	ZBUVTMMPDCTFFM-HSZRJFAPSA-N	1	0	434.967	4.966	1	0		IJAFRO
O=C1O[C@H](c2ccnc3ccccc32)CN1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1	ZINC000028892465	563068478	/nfs/dbraw/zinc/06/84/78/563068478.db2.gz	CPIBHOSTAJXYKE-VWLOTQADSA-N	1	0	426.520	4.874	1	0		IJAFRO
CCCC(=O)N[C@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21	ZINC000029038598	563071829	/nfs/dbraw/zinc/07/18/29/563071829.db2.gz	NDJMUWDIDQMYFY-QHCPKHFHSA-N	1	0	448.636	4.565	1	0		IJAFRO
O[C@H](Cc1ccccc1)CN1CC[N@@H+]2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1	ZINC000029056521	563073514	/nfs/dbraw/zinc/07/35/14/563073514.db2.gz	WRZZCPUVRXRVCC-IARZGTGTSA-N	1	0	426.604	4.571	1	0	in-vivo	IJAFRO
COc1c2ccoc2c(OC)c(OCC[NH+]2CCCCC2)c1NC(=O)C1CCCCC1	ZINC000029406681	563079637	/nfs/dbraw/zinc/07/96/37/563079637.db2.gz	UCIRZDBOOMZTOC-UHFFFAOYSA-N	1	0	430.545	4.834	1	0		IJAFRO
C[C@H](Oc1cc(-c2cnn([C@H]3CC[NH2+]C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl	ZINC000035997992	563090743	/nfs/dbraw/zinc/09/07/43/563090743.db2.gz	FOYJLDDDNZOYPZ-FZMZJTMJSA-N	1	0	436.318	4.648	1	0		IJAFRO
CC[NH+]1CCC(Nc2ccc3c(c2)/C(=C(/c2ncc[nH]2)c2ccc(Cl)cc2)C(=O)N3)CC1	ZINC000038941263	563098649	/nfs/dbraw/zinc/09/86/49/563098649.db2.gz	XHCPCYVQXFHJAU-FCQUAONHSA-N	1	0	447.970	4.871	1	0	in-vitro	IJAFRO
Nc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(CN2CCC3(CCC[NH2+]3)CC2)cc1	ZINC000040403495	563101104	/nfs/dbraw/zinc/10/11/04/563101104.db2.gz	VEXQHQFUNPNAIM-UHFFFAOYSA-N	1	0	446.620	4.968	1	0		IJAFRO
Cc1nc2cc(C(F)(F)F)ccc2c(=O)n1-c1ccc(OCCC[NH+]2CCCC2)cc1	ZINC000040411569	563101743	/nfs/dbraw/zinc/10/17/43/563101743.db2.gz	KOIGSMNZEUZGPK-UHFFFAOYSA-N	1	0	431.458	4.578	1	0		IJAFRO
CCC[N@H+](CCCCn1ccc2c1cccc2F)[C@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040413149	563101991	/nfs/dbraw/zinc/10/19/91/563101991.db2.gz	FZGWFYACOMWHSP-QGZVFWFLSA-N	1	0	441.522	4.514	1	0	in-vitro	IJAFRO
CNc1ccc(-c2ccc3c(c2)[nH]nc3-c2nc3c(cccc3N3CC[NH+](C)CC3)[nH]2)cc1	ZINC000040913615	563111104	/nfs/dbraw/zinc/11/11/04/563111104.db2.gz	MAARHZWIPNUTPX-UHFFFAOYSA-N	1	0	437.551	4.567	1	0		IJAFRO
[NH3+]C[C@@H](C(=O)Nc1cc(Br)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1	ZINC000040914347	563111175	/nfs/dbraw/zinc/11/11/75/563111175.db2.gz	FUHANCRIAJEKGA-OAHLLOKOSA-N	1	0	441.354	4.735	1	0		IJAFRO
CCC[N@H+](CCCCn1ccc2ccc(F)cc21)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040940281	563113462	/nfs/dbraw/zinc/11/34/62/563113462.db2.gz	JDYYDLOQTJPFPM-IBGZPJMESA-N	1	0	441.522	4.514	1	0	in-vitro	IJAFRO
CCC[C@H](C)N1CC[NH+]([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]43)C[C@@H]2O)CC1	ZINC000040955460	563114689	/nfs/dbraw/zinc/11/46/89/563114689.db2.gz	WUAKXHXKLCJIQA-PLCXGIJZSA-N	1	0	446.720	4.536	1	0		IJAFRO
O=C1NCCC[C@]1(c1ccccc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000040973150	563114935	/nfs/dbraw/zinc/11/49/35/563114935.db2.gz	KCAXAFVXDVHEEZ-QHCPKHFHSA-N	1	0	427.386	4.509	1	0		IJAFRO
Cc1ccc(NC(=O)c2cc(Br)cc(N3CCC([NH+](C)C)CC3)c2)cc1F	ZINC000045168356	563122586	/nfs/dbraw/zinc/12/25/86/563122586.db2.gz	COJROKIDMIONLK-UHFFFAOYSA-N	1	0	434.353	4.679	1	0		IJAFRO
CC[C@H](C)CNC(=O)c1cncc(-c2cccc(CN3CCC([NH+]4CCCC4)CC3)c2)c1	ZINC000045193406	563124056	/nfs/dbraw/zinc/12/40/56/563124056.db2.gz	GEXRQUZPUMWGHO-NRFANRHFSA-N	1	0	434.628	4.585	1	0		IJAFRO
O=C(NCC[NH+]1CCCC1)c1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1	ZINC000045202223	563124964	/nfs/dbraw/zinc/12/49/64/563124964.db2.gz	SPBGPDPJFRZHEC-UHFFFAOYSA-N	1	0	428.511	4.862	1	0		IJAFRO
Oc1cc(-c2c(-c3ccncc3)nn3c2nccc3C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl	ZINC000045256618	563127343	/nfs/dbraw/zinc/12/73/43/563127343.db2.gz	BXUSXLRHLADQTP-AYHJJNSGSA-N	1	0	431.927	4.815	1	0		IJAFRO
COc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccc(N(C)C)cc3)cs2)C1	ZINC000045302841	563129640	/nfs/dbraw/zinc/12/96/40/563129640.db2.gz	CJUPYOALKBTFMD-IBGZPJMESA-N	1	0	449.620	4.742	1	0		IJAFRO
CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(Cn3c4ccccc4nc3-c3ccccc3)cc2)C1	ZINC000045365412	563132975	/nfs/dbraw/zinc/13/29/75/563132975.db2.gz	RMWZNHNQKCWGGE-XMMPIXPASA-N	1	0	438.575	4.918	1	0		IJAFRO
CCC[NH+]1CCC(n2cc(-c3nnc(-c4ccccc4)c(-c4ccccc4)n3)nn2)CC1	ZINC000045386961	563133897	/nfs/dbraw/zinc/13/38/97/563133897.db2.gz	OZWXVVDSGLLKRZ-UHFFFAOYSA-N	1	0	425.540	4.511	1	0		IJAFRO
COC(=O)c1sc2nc(C[N@H+](C)CC(C)C)ccc2c1NC(=O)c1ccc(C)s1	ZINC000045392716	563134183	/nfs/dbraw/zinc/13/41/83/563134183.db2.gz	BVZZDIDVBBHRIW-UHFFFAOYSA-N	1	0	431.583	4.793	1	0		IJAFRO
CN1c2ccc(OC(=O)NCc3ccccc3)cc2[C@]2(C)CC[N@@H+](CCc3ccccc3)[C@H]12	ZINC000049035745	563136275	/nfs/dbraw/zinc/13/62/75/563136275.db2.gz	GIMROWNJLOPMDK-XCZPVHLTSA-N	1	0	441.575	4.957	1	0		IJAFRO
Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc(-c2ccccc2)n1C	ZINC000049036014	563136395	/nfs/dbraw/zinc/13/63/95/563136395.db2.gz	NUHJBHFWIFYLHK-UHFFFAOYSA-N	1	0	444.623	4.559	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3ccc(C)cc3)CC2)o1	ZINC000053230876	563141355	/nfs/dbraw/zinc/14/13/55/563141355.db2.gz	GFSSNBCDADNUPC-UHFFFAOYSA-N	1	0	432.612	4.904	1	0		IJAFRO
C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(I)ccc21	ZINC000058581842	563145087	/nfs/dbraw/zinc/14/50/87/563145087.db2.gz	HSDFFHIZEGNLSD-LJQANCHMSA-N	1	0	425.285	4.546	1	0		IJAFRO
O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc(C(F)(F)F)cc1	ZINC000064251728	563152490	/nfs/dbraw/zinc/15/24/90/563152490.db2.gz	XISHQUZWDQCLCK-HXUWFJFHSA-N	1	0	426.504	4.601	1	0		IJAFRO
Fc1ccc(OCc2nc3c(cccc3OCCC[NH2+]Cc3cccnc3)o2)c(F)c1	ZINC000064527895	563154678	/nfs/dbraw/zinc/15/46/78/563154678.db2.gz	YKZJFECYODJYNQ-UHFFFAOYSA-N	1	0	425.435	4.639	1	0		IJAFRO
O=C1NCc2cc(Cl)c(OCCCC[NH+]3CCN(c4cccc5ccccc54)CC3)cc21	ZINC000064539557	563155068	/nfs/dbraw/zinc/15/50/68/563155068.db2.gz	OHGZIKVFWPQXNG-UHFFFAOYSA-N	1	0	449.982	4.718	1	0		IJAFRO
CC[C@@H]1C[C@@H](C(=O)NCc2cccc(C)n2)C[N@H+](Cc2nc(-c3ccccc3)oc2C)C1	ZINC000071334039	563162586	/nfs/dbraw/zinc/16/25/86/563162586.db2.gz	DWHZRFMVWCPXSM-IFMALSPDSA-N	1	0	432.568	4.518	1	0		IJAFRO
O=C(Nc1ccccn1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1ccccc1	ZINC000072142837	563164904	/nfs/dbraw/zinc/16/49/04/563164904.db2.gz	JPCGJWXSFLNRQE-UHFFFAOYSA-N	1	0	431.536	4.778	1	0		IJAFRO
Cc1cccc(C)c1Oc1c(C(=O)N2CC[NH2+][C@@H](C)C2)c2ncccc2n1-c1ccccc1	ZINC000072178286	563166186	/nfs/dbraw/zinc/16/61/86/563166186.db2.gz	WHPAXOCKLYOINS-FQEVSTJZSA-N	1	0	440.547	4.869	1	0		IJAFRO
O=C(Nc1cccnc1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1ccccc1	ZINC000072181178	563167157	/nfs/dbraw/zinc/16/71/57/563167157.db2.gz	BDGQYBQNZFUZDS-UHFFFAOYSA-N	1	0	431.536	4.778	1	0		IJAFRO
O=C(c1nccs1)N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000072184644	563167857	/nfs/dbraw/zinc/16/78/57/563167857.db2.gz	WHNRKEGQQWVYRC-LJQANCHMSA-N	1	0	446.498	4.541	1	0		IJAFRO
Cc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1	ZINC000073139701	563168889	/nfs/dbraw/zinc/16/88/89/563168889.db2.gz	DKKUDYHDGKYYJW-VWLOTQADSA-N	1	0	440.609	4.622	1	0		IJAFRO
FC(F)(F)c1cccc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)n1	ZINC000073296481	563172151	/nfs/dbraw/zinc/17/21/51/563172151.db2.gz	WKAKCPNTVKYXJH-UHFFFAOYSA-N	1	0	431.462	4.758	1	0		IJAFRO
Cc1cccnc1C[NH+]1CCC2(CC(=O)N(c3ccc(-c4ccccc4)cc3)C2=O)CC1	ZINC000084706798	563176943	/nfs/dbraw/zinc/17/69/43/563176943.db2.gz	JOPIMIUSMBKGRG-UHFFFAOYSA-N	1	0	425.532	4.603	1	0		IJAFRO
O[C@H](CSc1ccccc1)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1	ZINC000084709571	563177225	/nfs/dbraw/zinc/17/72/25/563177225.db2.gz	PXGKXIYVGXYYRY-VWLOTQADSA-N	1	0	433.617	4.788	1	0		IJAFRO
Cc1cc(OCC[NH+]2CCN(c3ccccc3)CC2)nn1-c1ccc(Cl)c(Cl)c1	ZINC000095557268	563181624	/nfs/dbraw/zinc/18/16/24/563181624.db2.gz	QTQONWQMPDQYQI-UHFFFAOYSA-N	1	0	431.367	4.689	1	0		IJAFRO
F[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn43)nc21	ZINC000096175056	563196159	/nfs/dbraw/zinc/19/61/59/563196159.db2.gz	NLZJFVXOFCFQHC-UNMCSNQZSA-N	1	0	439.494	4.690	1	0		IJAFRO
O[C@H](C[NH2+]CCOc1ccccc1C(F)(F)F)COc1ccc2c(c1)[nH]c1ccccc12	ZINC000096939569	563200071	/nfs/dbraw/zinc/20/00/71/563200071.db2.gz	ZPLNQEPVAFBUGP-MRXNPFEDSA-N	1	0	444.453	4.748	1	0		IJAFRO
COc1ccccc1OCC[NH2+]C[C@H](O)CCCOc1ccc2[nH]c3ccccc3c2c1	ZINC000096939488	563200081	/nfs/dbraw/zinc/20/00/81/563200081.db2.gz	DTPPMVUMIALFQL-LJQANCHMSA-N	1	0	434.536	4.518	1	0		IJAFRO
CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CC[NH+](CCc2cccs2)CC1	ZINC000000597041	562918472	/nfs/dbraw/zinc/91/84/72/562918472.db2.gz	UWLSIZAQMSIHAY-UHFFFAOYSA-N	1	0	444.597	4.742	1	0		IJAFRO
COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)C(C)C)c1	ZINC000001489531	562922294	/nfs/dbraw/zinc/92/22/94/562922294.db2.gz	HDTXDTWVQLQAMW-XMMPIXPASA-N	1	0	437.584	4.777	1	0		IJAFRO
O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc(-c4ccco4)c3)CC2)O1)c1ccccc1	ZINC000012023175	562980342	/nfs/dbraw/zinc/98/03/42/562980342.db2.gz	BYAWPLADWXMSQR-DEOSSOPVSA-N	1	0	430.548	4.890	1	0		IJAFRO
COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3c[nH+]c(CCCO)n32)c1OC	ZINC000013441523	562986363	/nfs/dbraw/zinc/98/63/63/562986363.db2.gz	ZMKPRFLOBXQPQX-UHFFFAOYSA-N	1	0	426.904	4.530	1	0		IJAFRO
COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N([C@@H](C)C[NH+](C)C)C(=O)[C@@H]2C)cc1	ZINC000013450800	562987345	/nfs/dbraw/zinc/98/73/45/562987345.db2.gz	KLLFPPGWPOQJKZ-FRQCXROJSA-N	1	0	434.502	4.973	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1	ZINC000013473094	562988261	/nfs/dbraw/zinc/98/82/61/562988261.db2.gz	UNHGFWKSHHCRHF-DQEYMECFSA-N	1	0	435.520	4.562	1	0		IJAFRO
CC(C)C[NH+]1CCC(CNC(=O)c2cc(Cl)cc3c2ncn3Cc2ccccc2)CC1	ZINC000013491754	562990544	/nfs/dbraw/zinc/99/05/44/562990544.db2.gz	CXYKHLAUAZCSIS-UHFFFAOYSA-N	1	0	439.003	4.836	1	0		IJAFRO
CC(=O)c1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1	ZINC000013586546	562995333	/nfs/dbraw/zinc/99/53/33/562995333.db2.gz	NTIASQFANBLTMM-SANMLTNESA-N	1	0	447.623	4.765	1	0		IJAFRO
C[NH+](C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1	ZINC000013671607	562999932	/nfs/dbraw/zinc/99/99/32/562999932.db2.gz	XDYCDXFDVOBDOO-ONEGZZNKSA-N	1	0	434.302	4.876	1	0		IJAFRO
Cc1cc2c(ccc(Oc3ncnn4cc(OCCC5CC[NH+](C)CC5)c(C)c34)c2F)[nH]1	ZINC000013684244	563001110	/nfs/dbraw/zinc/00/11/10/563001110.db2.gz	DGPAWMWBQNMPFK-UHFFFAOYSA-N	1	0	437.519	4.870	1	0		IJAFRO
O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2Oc2ccccc21	ZINC000013820502	563009909	/nfs/dbraw/zinc/00/99/09/563009909.db2.gz	QZJNYIODYHCFSX-UHFFFAOYSA-N	1	0	445.538	4.739	1	0		IJAFRO
COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCC2)cc(Br)c2ccccc21	ZINC000013862874	563013174	/nfs/dbraw/zinc/01/31/74/563013174.db2.gz	KRQFTVXGLAIKHZ-INIZCTEOSA-N	1	0	431.374	4.748	1	0		IJAFRO
CC[NH2+]Cc1cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1CC	ZINC000014954082	563015714	/nfs/dbraw/zinc/01/57/14/563015714.db2.gz	XLQRPZAGFWJWJE-UHFFFAOYSA-N	1	0	425.540	4.543	1	0		IJAFRO
CNc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1	ZINC000014976004	563016837	/nfs/dbraw/zinc/01/68/37/563016837.db2.gz	MOARTSKNGANIHC-DEOSSOPVSA-N	1	0	434.628	4.605	1	0		IJAFRO
O=C(CCC[NH+]1CCC(OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)CC1)c1ccccc1	ZINC000017249783	563021837	/nfs/dbraw/zinc/02/18/37/563021837.db2.gz	ZSCNBQKDQRJBRQ-MUUNZHRXSA-N	1	0	449.591	4.735	1	0		IJAFRO
Fc1ccc(C(OCCN2CC[NH+](CCCc3ccco3)CC2)c2ccc(F)cc2)cc1	ZINC000022938591	563026611	/nfs/dbraw/zinc/02/66/11/563026611.db2.gz	HBCIRTUVEMENFI-UHFFFAOYSA-N	1	0	440.534	4.914	1	0		IJAFRO
CCc1cc(OCc2ccc(-c3cc(OC)ccc3-c3nn[nH]n3)cc2)c2c([nH+]1)CCCC2	ZINC000026577141	563033876	/nfs/dbraw/zinc/03/38/76/563033876.db2.gz	BKHWDDDMMAKADX-UHFFFAOYSA-N	1	0	441.535	4.958	1	0		IJAFRO
CCC[N@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(O)c2C1	ZINC000027328595	563041655	/nfs/dbraw/zinc/04/16/55/563041655.db2.gz	DKBWCVGVAIKQPY-LJQANCHMSA-N	1	0	444.591	4.590	1	0		IJAFRO
C[C@H](C(=O)N(C)c1ccc(Cl)cc1)C1(O)CC[NH+](CCc2ccccc2Cl)CC1	ZINC000027555169	563043764	/nfs/dbraw/zinc/04/37/64/563043764.db2.gz	WVSCSFRLOFTKGP-QGZVFWFLSA-N	1	0	435.395	4.662	1	0		IJAFRO
O=c1oc(CC[NH+]2CCN(c3ccccc3)CC2)c(-c2ccc(-c3ccccc3)cc2)o1	ZINC000027899628	563048249	/nfs/dbraw/zinc/04/82/49/563048249.db2.gz	LEIQVIMVTRJBOB-UHFFFAOYSA-N	1	0	426.516	4.932	1	0		IJAFRO
O=C(CCC[NH+]1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1	ZINC000027982770	563048618	/nfs/dbraw/zinc/04/86/18/563048618.db2.gz	PEDWOINZQKGARL-UHFFFAOYSA-N	1	0	433.474	4.954	1	0		IJAFRO
Cc1cc(O[C@@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)ccc1F	ZINC000028340707	563052854	/nfs/dbraw/zinc/05/28/54/563052854.db2.gz	CZHFNLNKFXGHMX-DEOSSOPVSA-N	1	0	425.548	4.908	1	0		IJAFRO
COc1cc(NC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1C(=O)NCCC[NH+](C)C	ZINC000028386893	563054246	/nfs/dbraw/zinc/05/42/46/563054246.db2.gz	TZLKGLUKZHVRBN-UHFFFAOYSA-N	1	0	446.551	4.688	1	0		IJAFRO
CC(=O)N1CCc2[nH]c(-c3cc(C)cc(C)c3)c([C@H](C)C[NH2+]CCc3ccncc3)c2C1	ZINC000028823014	563065877	/nfs/dbraw/zinc/06/58/77/563065877.db2.gz	NFZZPBLNCXXAMM-HXUWFJFHSA-N	1	0	430.596	4.534	1	0		IJAFRO
CCCCC(=O)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[NH+](C)C)ccn32)n1	ZINC000028963743	563070895	/nfs/dbraw/zinc/07/08/95/563070895.db2.gz	RZEVVXNRODUQMA-UHFFFAOYSA-N	1	0	446.530	4.788	1	0		IJAFRO
CCC[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(Cc1ccccc1)c2=O	ZINC000029557375	563082066	/nfs/dbraw/zinc/08/20/66/563082066.db2.gz	ZKLQJKAWKATAAE-QFIPXVFZSA-N	1	0	443.543	4.790	1	0		IJAFRO
CC(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(Cc1ccccc1)c2=O	ZINC000029557751	563082237	/nfs/dbraw/zinc/08/22/37/563082237.db2.gz	PBQBTJPVERSOQF-JOCHJYFZSA-N	1	0	443.543	4.789	1	0		IJAFRO
CCS(=O)(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@@H+](C)C[C@@]54CC[C@@H]32)C1	ZINC000035970390	563090503	/nfs/dbraw/zinc/09/05/03/563090503.db2.gz	DKOXTCXEUFUUGQ-DPBQVHGISA-N	1	0	434.690	4.530	1	0		IJAFRO
OCC[N@@H+]1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC12CCCC2	ZINC000036093080	563090910	/nfs/dbraw/zinc/09/09/10/563090910.db2.gz	QIFYCDNAYDWBME-VWNXMTODSA-N	1	0	428.979	4.979	1	0		IJAFRO
CCN1C(C)=C(C(=O)OC)[C@H](c2cccs2)[NH+]=C1NCc1cccc(C(F)(F)F)c1	ZINC000036381736	563093847	/nfs/dbraw/zinc/09/38/47/563093847.db2.gz	FSGJJJARBVRJJF-SFHVURJKSA-N	1	0	437.487	4.736	1	0		IJAFRO
COc1ccc(CN2CC[NH+]([C@H](c3ccccc3)[C@H](O)c3ccc(Cl)cc3)CC2)cc1	ZINC000039238987	563098918	/nfs/dbraw/zinc/09/89/18/563098918.db2.gz	WUGJVBVRYOODFP-CLJLJLNGSA-N	1	0	436.983	4.941	1	0		IJAFRO
CC(C)(C)[NH2+]C[C@@H](O)COc1cc(Cl)c(-c2nc(C(F)(F)F)c[nH]2)c(Cl)c1	ZINC000039241339	563098992	/nfs/dbraw/zinc/09/89/92/563098992.db2.gz	YNRDFRUTWMFCTH-SECBINFHSA-N	1	0	426.266	4.530	1	0		IJAFRO
Cc1cc(-n2cccn2)ccc1N1CCc2c1[nH+]ccc2-n1ccc(-c2nccs2)n1	ZINC000040393161	563100126	/nfs/dbraw/zinc/10/01/26/563100126.db2.gz	IUWGZVVHKXVJDV-UHFFFAOYSA-N	1	0	425.521	4.579	1	0		IJAFRO
O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(OCCC[NH+]2CCCC2)cc1	ZINC000040933622	563112231	/nfs/dbraw/zinc/11/22/31/563112231.db2.gz	QKYNIAXWTMUDKW-UHFFFAOYSA-N	1	0	425.532	4.917	1	0		IJAFRO
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1	ZINC000045191341	563123730	/nfs/dbraw/zinc/12/37/30/563123730.db2.gz	ZFVXJIKWKSMKTC-BJMVGYQFSA-N	1	0	429.358	4.919	1	0		IJAFRO
Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1C	ZINC000045192466	563123882	/nfs/dbraw/zinc/12/38/82/563123882.db2.gz	OGAYDAQCNFLDFX-UHFFFAOYSA-N	1	0	443.591	4.969	1	0		IJAFRO
CN1CC[NH+](Cc2cc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3s2)CC1	ZINC000045202707	563125066	/nfs/dbraw/zinc/12/50/66/563125066.db2.gz	FXNRNAWSBDUQQM-RUDMXATFSA-N	1	0	425.985	4.954	1	0		IJAFRO
CN(c1ccc(NC(=O)c2cccc(F)c2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1	ZINC000045230410	563126048	/nfs/dbraw/zinc/12/60/48/563126048.db2.gz	MOEBNDSQKNCZTE-XMMPIXPASA-N	1	0	433.527	4.884	1	0		IJAFRO
Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)[nH+]2)sc1C	ZINC000045245330	563126495	/nfs/dbraw/zinc/12/64/95/563126495.db2.gz	ARCGKZALGSLFHM-UHFFFAOYSA-N	1	0	441.626	4.599	1	0		IJAFRO
CCC[N@H+](CCN1CCN(c2ccc3ccccc3c2)CC1)[C@@H]1CCc2ccc(O)cc2C1	ZINC000045254730	563127102	/nfs/dbraw/zinc/12/71/02/563127102.db2.gz	UUXJEWIMBQSYJG-MUUNZHRXSA-N	1	0	443.635	4.937	1	0		IJAFRO
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc([C@@H]2CCC[N@H+](C)C2)cc1	ZINC000045301265	563129183	/nfs/dbraw/zinc/12/91/83/563129183.db2.gz	MTYOGMFNMNMRCG-VWGXWWAPSA-N	1	0	429.358	4.919	1	0		IJAFRO
COCCN1CC[NH+](Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)CC1	ZINC000045323440	563130702	/nfs/dbraw/zinc/13/07/02/563130702.db2.gz	DAZMALMGARQTCJ-UHFFFAOYSA-N	1	0	444.554	4.800	1	0		IJAFRO
COCCN1CC[NH+](Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)CC1	ZINC000045324643	563130849	/nfs/dbraw/zinc/13/08/49/563130849.db2.gz	KSUVLIWLRQNNBK-UHFFFAOYSA-N	1	0	426.564	4.661	1	0		IJAFRO
Cc1n[nH]c(C)c1NC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1	ZINC000045374821	563133627	/nfs/dbraw/zinc/13/36/27/563133627.db2.gz	DBQIGPPIAXXZLB-GOSISDBHSA-N	1	0	449.536	4.894	1	0		IJAFRO
CO[C@H]1Cc2sc([C@H](O)c3ccccc3)cc2C2(CC[NH+](Cc3ccccc3)CC2)O1	ZINC000053243453	563141461	/nfs/dbraw/zinc/14/14/61/563141461.db2.gz	UMYWBSZKHRPVCV-JWQCQUIFSA-N	1	0	435.589	4.866	1	0		IJAFRO
CC(C)C[NH2+]CCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000058569060	563144668	/nfs/dbraw/zinc/14/46/68/563144668.db2.gz	KXMFWBOCXIMJKH-VWLOTQADSA-N	1	0	428.020	4.599	1	0		IJAFRO
CC(=O)Nc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)cn2c(-c3ccc(F)cc3)cnc12	ZINC000061906517	563148541	/nfs/dbraw/zinc/14/85/41/563148541.db2.gz	GMVQYWCZXCFAPI-UHFFFAOYSA-N	1	0	443.526	4.518	3	0		IJAFRO
COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)nc(C)c2C[NH3+])cc1	ZINC000066128746	563159435	/nfs/dbraw/zinc/15/94/35/563159435.db2.gz	GWTAEZPFUNDLNK-UHFFFAOYSA-N	1	0	430.335	4.761	1	0		IJAFRO
CC[C@H]1C[C@@H](C(=O)NCc2cccc(C)n2)C[N@H+](Cc2nc(-c3ccccc3)oc2C)C1	ZINC000071334305	563162589	/nfs/dbraw/zinc/16/25/89/563162589.db2.gz	DWHZRFMVWCPXSM-RBBKRZOGSA-N	1	0	432.568	4.518	1	0		IJAFRO
CCOc1ccccc1-c1nc(CN2CCN(c3cc(C)[nH+]c4ccccc43)CC2)co1	ZINC000072184300	563167798	/nfs/dbraw/zinc/16/77/98/563167798.db2.gz	QNWQSRTZLRCDGR-UHFFFAOYSA-N	1	0	428.536	4.919	1	0		IJAFRO
C[C@@H]1CCC[N@@H+]1CCc1ccc(-c2ccc(S(=O)(=O)CC3CCOCC3)cc2)cc1	ZINC000073224806	563171029	/nfs/dbraw/zinc/17/10/29/563171029.db2.gz	VXSRVOYXQATZAM-HXUWFJFHSA-N	1	0	427.610	4.581	1	0		IJAFRO
CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](CCOc2ccccc2-c2ccccc2)C1	ZINC000095571985	563184643	/nfs/dbraw/zinc/18/46/43/563184643.db2.gz	OEDUGORPKTWVRC-QFIPXVFZSA-N	1	0	430.548	4.635	1	0		IJAFRO
COc1cc(N2Cc3ccc(-c4ccc(F)cc4)nc3C2=O)ccc1OCC[NH+]1CCCC1	ZINC000095586755	563189295	/nfs/dbraw/zinc/18/92/95/563189295.db2.gz	LHHWWEWLONPSSU-UHFFFAOYSA-N	1	0	447.510	4.531	1	0		IJAFRO
Cn1cc(-c2ccc(CN3c4ccccc4[C@]4(CC[N@@H+](C5CCCC5)C4)C3=O)c(F)c2)cn1	ZINC000095591856	563190384	/nfs/dbraw/zinc/19/03/84/563190384.db2.gz	FYCQECDOZNORPN-HHHXNRCGSA-N	1	0	444.554	4.659	1	0		IJAFRO
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](Cc2ccco2)C(=O)N3)c1)Cc1ccccc1	ZINC000096308838	563197434	/nfs/dbraw/zinc/19/74/34/563197434.db2.gz	GGSHYVNRNBBHSC-SQJMNOBHSA-N	1	0	439.515	4.569	1	0		IJAFRO
C[C@H]([NH3+])C(=O)N1CCC[C@@H]1P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	ZINC000001543429	562922728	/nfs/dbraw/zinc/92/27/28/562922728.db2.gz	DAXVHMWEFWACMY-UGSOOPFHSA-N	1	0	443.267	4.940	1	0		IJAFRO
O=C(c1cnccn1)N1CCC2(CC1)CC[NH+](C(c1ccccc1)c1ccccc1)CC2	ZINC000003955935	562939971	/nfs/dbraw/zinc/93/99/71/562939971.db2.gz	KWCDFJGEARCYQM-UHFFFAOYSA-N	1	0	426.564	4.584	1	0		IJAFRO
Cc1cccc(-c2nn3c(c2-c2ccc4ncn(CCC[NH+]5CCCC5)c4c2)CCC3)n1	ZINC000006718673	562948259	/nfs/dbraw/zinc/94/82/59/562948259.db2.gz	BUPOPEPJCVXMNX-UHFFFAOYSA-N	1	0	426.568	4.702	1	0		IJAFRO
O=C(Nc1ccc(-c2ccc(NC(=O)[C@H]3C[NH+]4CCC3CC4)cc2)cc1)NC1CCCC1	ZINC000006745745	562948290	/nfs/dbraw/zinc/94/82/90/562948290.db2.gz	IEGHTUHBRDLAEZ-DEOSSOPVSA-N	1	0	432.568	4.698	1	0		IJAFRO
Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1	ZINC000008597883	562954121	/nfs/dbraw/zinc/95/41/21/562954121.db2.gz	GTIVHCUXPOVUSA-LJQANCHMSA-N	1	0	441.934	4.971	1	0		IJAFRO
CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc3cc(NC(C)=O)ccc3n2)CC1	ZINC000011662221	562978973	/nfs/dbraw/zinc/97/89/73/562978973.db2.gz	RSQNEDSTXWUVNS-UHFFFAOYSA-N	1	0	445.563	4.581	3	0		IJAFRO
COc1ccccc1/C=C/C[NH+]1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1	ZINC000011873444	562979570	/nfs/dbraw/zinc/97/95/70/562979570.db2.gz	YOIAVORBBIYGEU-YRNVUSSQSA-N	1	0	444.579	4.813	3	0		IJAFRO
CCc1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)[nH]1	ZINC000011935403	562979885	/nfs/dbraw/zinc/97/98/85/562979885.db2.gz	MQWTZHIUDRPNSZ-NRFANRHFSA-N	1	0	432.568	4.807	3	0		IJAFRO
COc1ccc(-c2cc(CCCC[NH+]3CCN(c4ccccc4F)CC3)on2)cc1OC	ZINC000013441322	562986324	/nfs/dbraw/zinc/98/63/24/562986324.db2.gz	BMHXCPOIQRDOEJ-UHFFFAOYSA-N	1	0	439.531	4.643	1	0		IJAFRO
COc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1	ZINC000013443613	562986730	/nfs/dbraw/zinc/98/67/30/562986730.db2.gz	ZGWSSZLLOHMLII-NRFANRHFSA-N	1	0	425.548	4.643	1	0		IJAFRO
Cc1ccc(C(=O)N(C)C)cc1Oc1nc(Oc2cccc(C(N)=[NH2+])c2)c(F)c(C)c1F	ZINC000013474039	562988594	/nfs/dbraw/zinc/98/85/94/562988594.db2.gz	JNPPUDITRHGYEM-UHFFFAOYSA-N	1	0	440.450	4.547	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc3ccccc3c2)CC1	ZINC000013526363	562991716	/nfs/dbraw/zinc/99/17/16/562991716.db2.gz	WZTXLKNXNIFASN-FYWRMAATSA-N	1	0	443.591	4.580	1	0		IJAFRO
O=C1c2ccccc2C(=O)N1CCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1	ZINC000013534368	562992270	/nfs/dbraw/zinc/99/22/70/562992270.db2.gz	HZMBQYFOWZCHKD-UHFFFAOYSA-N	1	0	446.378	4.582	1	0		IJAFRO
O=C(CCCCC[NH+]1CCN(c2nc3ccccc3o2)CC1)N[C@H]1CCCc2ccccc21	ZINC000013586538	562995384	/nfs/dbraw/zinc/99/53/84/562995384.db2.gz	WDQWEYWETMABFZ-QHCPKHFHSA-N	1	0	446.595	4.704	1	0		IJAFRO
O=C(NCC/C=C/c1ccccc1)c1ccccc1C[NH2+][C@H]1CCc2cc(O)ccc2C1	ZINC000013589129	562996139	/nfs/dbraw/zinc/99/61/39/562996139.db2.gz	ONWAMWHXBYSLRY-ZYJSVEMRSA-N	1	0	426.560	4.873	1	0		IJAFRO
O=C(NCCCCc1ccccc1)c1ccccc1C[NH2+][C@@H]1CCc2ccc(O)cc2C1	ZINC000013589131	562996167	/nfs/dbraw/zinc/99/61/67/562996167.db2.gz	LZCUEMVYFFOXIZ-RUZDIDTESA-N	1	0	428.576	4.792	1	0		IJAFRO
O=C(NCCCCc1ccccc1)c1ccccc1C[NH2+][C@H]1CCc2ccc(O)cc2C1	ZINC000013589132	562996206	/nfs/dbraw/zinc/99/62/06/562996206.db2.gz	LZCUEMVYFFOXIZ-VWLOTQADSA-N	1	0	428.576	4.792	1	0		IJAFRO
O=C(Nc1nccs1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1	ZINC000013613340	562998174	/nfs/dbraw/zinc/99/81/74/562998174.db2.gz	ZKBWZHHPBACPCQ-IRFCIJBXSA-N	1	0	430.593	4.917	1	0		IJAFRO
CC(=O)c1ccc(OCCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c(N(C)C)c1	ZINC000013740853	563003232	/nfs/dbraw/zinc/00/32/32/563003232.db2.gz	ZDTVNXBUVXEOBR-UHFFFAOYSA-N	1	0	439.531	4.884	1	0		IJAFRO
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]Cc2cccc(-c3cnco3)n2)CC1	ZINC000013782357	563006799	/nfs/dbraw/zinc/00/67/99/563006799.db2.gz	NXAGLLLVGMCGGH-UHFFFAOYSA-N	1	0	445.350	4.685	1	0		IJAFRO
C[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCO[C@H]2CCCCO2)CC1	ZINC000013797113	563007467	/nfs/dbraw/zinc/00/74/67/563007467.db2.gz	JKSRYWNYDVMKPA-VWLOTQADSA-N	1	0	449.570	4.878	1	0		IJAFRO
CC[C@@H](C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1c[nH]c2ccc(C(N)=[NH2+])cc21	ZINC000014950757	563015646	/nfs/dbraw/zinc/01/56/46/563015646.db2.gz	MVIMTQPKTBMOAO-LJQANCHMSA-N	1	0	436.519	4.923	1	0		IJAFRO
Cc1ccc2[nH]c(-c3ccc(OCCCN4CCC[N@@H+](C)CC4)cc3Cl)nc2c1C	ZINC000023361031	563027154	/nfs/dbraw/zinc/02/71/54/563027154.db2.gz	RPIXQBZODSVPPC-UHFFFAOYSA-N	1	0	426.992	4.907	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3ccc(Cl)cc3)CC1)OCCC2	ZINC000027737890	563046432	/nfs/dbraw/zinc/04/64/32/563046432.db2.gz	BCMXRZMJMZCNQQ-JOCHJYFZSA-N	1	0	430.976	4.573	1	0		IJAFRO
CC(C)[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O	ZINC000027880316	563047734	/nfs/dbraw/zinc/04/77/34/563047734.db2.gz	CYLMBWSELUBUDY-NRFANRHFSA-N	1	0	429.516	4.865	1	0		IJAFRO
Cc1cc(F)ccc1O[C@@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C	ZINC000028336444	563052785	/nfs/dbraw/zinc/05/27/85/563052785.db2.gz	MDCJHLUPHKBLLO-QHCPKHFHSA-N	1	0	425.548	4.908	1	0		IJAFRO
CNC(=O)c1cccc(COc2ccc3cc([C@@H]([C@H](C)[NH+](C)C)n4ccnc4)ccc3c2)c1	ZINC000028345004	563052983	/nfs/dbraw/zinc/05/29/83/563052983.db2.gz	YRZCYALYRQWTET-AFMDSPMNSA-N	1	0	442.563	4.514	1	0		IJAFRO
O=C(Nc1ccccc1NC(=O)c1ccccc1)OCC1CCN(c2cc[nH+]cc2)CC1	ZINC000028524282	563056456	/nfs/dbraw/zinc/05/64/56/563056456.db2.gz	FGLZIEUYPJGIAH-UHFFFAOYSA-N	1	0	430.508	4.799	1	0		IJAFRO
CC(C)OC[C@@H](O)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1	ZINC000028527232	563057069	/nfs/dbraw/zinc/05/70/69/563057069.db2.gz	KEUKMNZDHGINNL-QHCPKHFHSA-N	1	0	437.559	4.848	1	0		IJAFRO
COc1ccc(N2CCN(c3ccccc3Cl)C2=O)cc1OCC[NH+]1CCCCC1	ZINC000028529015	563057284	/nfs/dbraw/zinc/05/72/84/563057284.db2.gz	VKGSTRZGNQQUDV-UHFFFAOYSA-N	1	0	429.948	4.660	1	0		IJAFRO
O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@@H]1CC=C(c2cncnc2)CC1	ZINC000028650201	563061067	/nfs/dbraw/zinc/06/10/67/563061067.db2.gz	QTHAOPAVXYHZRO-HXUWFJFHSA-N	1	0	443.954	4.835	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2ccc(OC)cc2C1	ZINC000028766627	563064078	/nfs/dbraw/zinc/06/40/78/563064078.db2.gz	SSNDRFPGPSSIER-QFIPXVFZSA-N	1	0	441.568	4.529	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1	ZINC000028765655	563064115	/nfs/dbraw/zinc/06/41/15/563064115.db2.gz	OZZNKVQJEMSOSF-QFIPXVFZSA-N	1	0	441.568	4.529	1	0		IJAFRO
Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(C[NH+]6CCCC6)c45)ccc32)c1	ZINC000028817129	563064623	/nfs/dbraw/zinc/06/46/23/563064623.db2.gz	PDXYGSYLHJULFZ-UHFFFAOYSA-N	1	0	441.514	4.606	1	0		IJAFRO
O=C1O[C@H](c2ccc3ccccc3n2)CN1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1	ZINC000028892494	563068509	/nfs/dbraw/zinc/06/85/09/563068509.db2.gz	QWIGSVRSLFXCCC-VWLOTQADSA-N	1	0	426.520	4.874	1	0		IJAFRO
Cc1cc(/C=C/c2ccccc2OC[C@H](O)C[NH2+]C(C)(C)CCc2ccc(O)cc2)on1	ZINC000029232251	563076994	/nfs/dbraw/zinc/07/69/94/563076994.db2.gz	HIIBKFZBLMQTJU-UQNNOOFXSA-N	1	0	436.552	4.600	1	0		IJAFRO
[NH3+][C@H](COCc1cccc(I)c1)C(c1ccccc1)c1ccccc1	ZINC000029551668	563081894	/nfs/dbraw/zinc/08/18/94/563081894.db2.gz	HDRZMSGUAKJYEE-OAQYLSRUSA-N	1	0	443.328	4.967	1	0		IJAFRO
CCC[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O	ZINC000029563814	563082466	/nfs/dbraw/zinc/08/24/66/563082466.db2.gz	AACJRDQBZYMCIZ-NRFANRHFSA-N	1	0	429.516	4.866	1	0		IJAFRO
COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(C=Cc3cn(C)c4ccc(Cl)cc34)n[nH]2)C1	ZINC000034106701	563085571	/nfs/dbraw/zinc/08/55/71/563085571.db2.gz	SITXHAVZQRLLMP-QXXHJNCHSA-N	1	0	426.948	4.547	1	0		IJAFRO
COC(=O)CC[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2C	ZINC000034891961	563088469	/nfs/dbraw/zinc/08/84/69/563088469.db2.gz	LUZGFXBPMLBLNA-AFXVXQJMSA-N	1	0	429.507	4.875	1	0		IJAFRO
C[C@H]1C[C@@H](c2c[nH]c3cc(F)ccc32)CC[N@@H+]1CC[C@H]1OCCc2cc(C(N)=O)ccc21	ZINC000036237955	563092245	/nfs/dbraw/zinc/09/22/45/563092245.db2.gz	ZEJSMIRALRRUAZ-XOWTYJCDSA-N	1	0	435.543	4.678	1	0		IJAFRO
C[NH+](C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccccc1	ZINC000039246788	563099085	/nfs/dbraw/zinc/09/90/85/563099085.db2.gz	OXNRPSGQEPITJC-QFIPXVFZSA-N	1	0	441.966	4.965	1	0		IJAFRO
CN1c2ccccc2[C@]2(C1=O)[N@H+](C)C[C@@H](c1ccc(Cl)cc1)[C@@]21Cc2ccccc2C1=O	ZINC000040402746	563101017	/nfs/dbraw/zinc/10/10/17/563101017.db2.gz	QNNBEOWIUWBDPC-ZDJNHPEVSA-N	1	0	442.946	4.666	1	0		IJAFRO
C[NH+](C)C[C@H](c1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2)c1ccccc1	ZINC000040503625	563104171	/nfs/dbraw/zinc/10/41/71/563104171.db2.gz	MTXJOBXVSXVLLV-NRFANRHFSA-N	1	0	441.966	4.965	1	0		IJAFRO
COc1cccc(CCc2ccccc2OCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1	ZINC000040864699	563108644	/nfs/dbraw/zinc/10/86/44/563108644.db2.gz	SDSWHYXPIOTKDV-UHFFFAOYSA-N	1	0	434.555	4.821	1	0	in-vitro	IJAFRO
COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]Cc4cc5ccccc5s4)CC3)c2c1	ZINC000045168609	563122689	/nfs/dbraw/zinc/12/26/89/563122689.db2.gz	HGAHDBDLECZULT-VWLOTQADSA-N	1	0	447.604	4.746	1	0		IJAFRO
CCc1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4cccc(O)c4)CC3)c2)cc1	ZINC000045192871	563123982	/nfs/dbraw/zinc/12/39/82/563123982.db2.gz	MDLYHXOKGDMULC-UHFFFAOYSA-N	1	0	443.591	4.915	1	0		IJAFRO
CC(C)CC[N@@H+]1CCCN(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)CC1	ZINC000045201887	563124804	/nfs/dbraw/zinc/12/48/04/563124804.db2.gz	HEVDQAAUDQZKPA-UHFFFAOYSA-N	1	0	428.020	4.824	1	0		IJAFRO
CN1CC[NH+](Cc2cc3cc(NC(=O)/C=C/c4cccc(Cl)c4)ccc3s2)CC1	ZINC000045229990	563126141	/nfs/dbraw/zinc/12/61/41/563126141.db2.gz	MQGZMXNIEQDEHK-VMPITWQZSA-N	1	0	425.985	4.954	1	0		IJAFRO
Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1	ZINC000045231339	563126205	/nfs/dbraw/zinc/12/62/05/563126205.db2.gz	VZNQYMNLGMJWEJ-UHFFFAOYSA-N	1	0	429.564	4.661	1	0		IJAFRO
O[C@@H](c1ccc(C[NH+]2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1	ZINC000045259942	563127682	/nfs/dbraw/zinc/12/76/82/563127682.db2.gz	HTPPRDGEOSXUGA-DEOSSOPVSA-N	1	0	440.465	4.602	1	0		IJAFRO
CCCn1cnc2cc(C(=O)Nc3ccc(-c4cccc(C[NH+](C)C)c4)cc3)ccc2c1=O	ZINC000045302485	563129516	/nfs/dbraw/zinc/12/95/16/563129516.db2.gz	JKNIVXLBFRYSKJ-UHFFFAOYSA-N	1	0	440.547	4.787	1	0		IJAFRO
CC(C)CNC(=O)c1cnc(NCCC[N@@H+]2CCCC[C@@H]2C)nc1NCC1CCCCC1	ZINC000045320937	563130206	/nfs/dbraw/zinc/13/02/06/563130206.db2.gz	XZYILENDTWXLGF-FQEVSTJZSA-N	1	0	444.668	4.531	1	0		IJAFRO
COc1ccc(CC(Cc2ccc(OC)cc2)[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1	ZINC000045322916	563130547	/nfs/dbraw/zinc/13/05/47/563130547.db2.gz	CSKIPGJVXKEUMP-VWLOTQADSA-N	1	0	425.956	4.834	1	0		IJAFRO
CCCC[NH+](CCCC)C[C@]1(COCC)COc2ccc3c(C)cc(=O)oc3c2C1=O	ZINC000049036040	563136380	/nfs/dbraw/zinc/13/63/80/563136380.db2.gz	YMMFNQLXLSJQPK-VWLOTQADSA-N	1	0	429.557	4.602	1	0		IJAFRO
CC(C)[NH+](CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O)C(C)C	ZINC000049048390	563136670	/nfs/dbraw/zinc/13/66/70/563136670.db2.gz	XPWXTSNMGCRLTD-UHFFFAOYSA-N	1	0	434.515	4.574	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCCCNC(=O)c2ccc3ccccc3c2)CC1	ZINC000058584091	563145348	/nfs/dbraw/zinc/14/53/48/563145348.db2.gz	GNQMAWAOPDTCCX-UHFFFAOYSA-N	1	0	445.607	4.961	1	0		IJAFRO
CC[NH+]1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5n[nH]cc5c4)n3)cc2)CC1	ZINC000063540039	563152385	/nfs/dbraw/zinc/15/23/85/563152385.db2.gz	ASOBSKNWRJNQBK-UHFFFAOYSA-N	1	0	448.962	4.635	1	0		IJAFRO
C[NH+](C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O	ZINC000063540087	563152404	/nfs/dbraw/zinc/15/24/04/563152404.db2.gz	DZGATJHVQUFYSK-UHFFFAOYSA-N	1	0	442.519	4.812	1	0		IJAFRO
Fc1cc(F)c(OCc2nc3c(cccc3OCCC[NH2+]Cc3cccnc3)o2)c(F)c1	ZINC000064532008	563154879	/nfs/dbraw/zinc/15/48/79/563154879.db2.gz	RSBWGNHWAXMLCA-UHFFFAOYSA-N	1	0	443.425	4.778	1	0		IJAFRO
Cc1c(F)cccc1Cc1c(C(=O)N2CC[NH2+]CC2)c2cccc(F)c2n1-c1ccccc1	ZINC000064528411	563154898	/nfs/dbraw/zinc/15/48/98/563154898.db2.gz	NSNRNNQGINQQIG-UHFFFAOYSA-N	1	0	445.513	4.853	1	0		IJAFRO
CC(C)(C)c1nc(C(=O)N2CCOC3(CC[NH+](Cc4ccc(Cl)cc4)CC3)C2)cs1	ZINC000064573410	563156383	/nfs/dbraw/zinc/15/63/83/563156383.db2.gz	BAXUYIMBZSDPGM-UHFFFAOYSA-N	1	0	448.032	4.601	1	0		IJAFRO
COc1ccccc1N1CC[NH+](C[C@@H]2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1	ZINC000073279533	563171727	/nfs/dbraw/zinc/17/17/27/563171727.db2.gz	GRLMWWLAYDWUKA-QHCPKHFHSA-N	1	0	440.587	4.783	1	0		IJAFRO
CCCC[NH+](CCCC)Cc1cn([C@@H]2CCCC[C@@H]2OC(=O)COc2ccccc2)nn1	ZINC000082159841	563174000	/nfs/dbraw/zinc/17/40/00/563174000.db2.gz	IVMGEQGVQJWUQJ-RPWUZVMVSA-N	1	0	442.604	4.786	1	0		IJAFRO
Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)[N@@H+]3CC[C@H](O)C3)cnc21	ZINC000084688166	563176017	/nfs/dbraw/zinc/17/60/17/563176017.db2.gz	JSVWEGWBBVUOER-JPYJTQIMSA-N	1	0	445.563	4.712	1	0		IJAFRO
COc1cc2nc(NC3CCCC3)nc(NCCCCC[NH+]3CCCC3)c2cc1OC	ZINC000095493485	563180587	/nfs/dbraw/zinc/18/05/87/563180587.db2.gz	ITXYQLWXFUNFCZ-UHFFFAOYSA-N	1	0	427.593	4.680	1	0		IJAFRO
COc1cccc(SC[C@@H](O)C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1	ZINC000095558680	563181820	/nfs/dbraw/zinc/18/18/20/563181820.db2.gz	VDFDTTRCUDMUDX-HNNXBMFYSA-N	1	0	442.408	4.998	1	0		IJAFRO
Cn1cc(-c2ccc(CN3c4ccccc4[C@@]4(CC[N@@H+](C5CCCC5)C4)C3=O)cc2)cn1	ZINC000095586896	563189416	/nfs/dbraw/zinc/18/94/16/563189416.db2.gz	NIOBMHUCDISLEJ-MHZLTWQESA-N	1	0	426.564	4.520	1	0		IJAFRO
COc1cc(N2Cc3ccc(-c4ccccc4C)nc3C2=O)ccc1OCC[NH+]1CCCC1	ZINC000095589445	563189726	/nfs/dbraw/zinc/18/97/26/563189726.db2.gz	FFKWNYWBONEOOZ-UHFFFAOYSA-N	1	0	443.547	4.701	1	0		IJAFRO
OC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCC[N@@H+]21	ZINC000095600161	563192546	/nfs/dbraw/zinc/19/25/46/563192546.db2.gz	UJWYROFULXWHSG-YTFSRNRJSA-N	1	0	436.493	4.670	1	0		IJAFRO
Cc1ccncc1-c1cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc2cc1C	ZINC000096167753	563195189	/nfs/dbraw/zinc/19/51/89/563195189.db2.gz	MOJOCQXBHQPQMN-UHFFFAOYSA-N	1	0	440.551	4.922	1	0		IJAFRO
Fc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[NH2+]CC4)nc12	ZINC000096169775	563195458	/nfs/dbraw/zinc/19/54/58/563195458.db2.gz	XMQPVAXAFMQRDV-UHFFFAOYSA-N	1	0	441.432	4.986	1	0		IJAFRO
CCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[NH2+]CC4)nc12	ZINC000096169813	563195501	/nfs/dbraw/zinc/19/55/01/563195501.db2.gz	LJMAHFPNAVYSNS-UHFFFAOYSA-N	1	0	433.943	4.880	1	0		IJAFRO
C[NH+](C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1	ZINC000000602494	562918691	/nfs/dbraw/zinc/91/86/91/562918691.db2.gz	GNLAGGCSJGJECE-MRXNPFEDSA-N	1	0	448.354	4.572	1	0	in-vivo	IJAFRO
Cc1nc(C(=O)c2oc3cccc(OCCC[NH2+]Cc4cccnc4)c3c2C)sc1C	ZINC000003588076	562936648	/nfs/dbraw/zinc/93/66/48/562936648.db2.gz	BGXNBZGHAFLHDK-UHFFFAOYSA-N	1	0	435.549	4.999	1	0		IJAFRO
COc1cccc2c1CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]2C[NH+]1CCCC1	ZINC000003795703	562938136	/nfs/dbraw/zinc/93/81/36/562938136.db2.gz	OCMDNFHAZVSGIA-NRFANRHFSA-N	1	0	433.379	4.766	1	0		IJAFRO
NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3ccc4ccccc4c3)cc3c2cccc3O)c1	ZINC000003831907	562939046	/nfs/dbraw/zinc/93/90/46/562939046.db2.gz	JJTQSSVDILCXCV-UHFFFAOYSA-N	1	0	448.526	4.762	1	0		IJAFRO
COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(C)c(C)cc2C)CC1	ZINC000012718445	562982968	/nfs/dbraw/zinc/98/29/68/562982968.db2.gz	NADOALFXOAAULK-UHFFFAOYSA-N	1	0	432.568	4.906	3	0		IJAFRO
CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccno4)CC3)CC2)cc1	ZINC000013440407	562986248	/nfs/dbraw/zinc/98/62/48/562986248.db2.gz	QUMHBWQOADESGX-UHFFFAOYSA-N	1	0	427.614	4.734	1	0		IJAFRO
Nc1ccc(F)cc1C(=O)CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3	ZINC000013487999	562989623	/nfs/dbraw/zinc/98/96/23/562989623.db2.gz	GMUXLQLWEFMPIT-FPOVZHCZSA-N	1	0	425.573	4.545	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1	ZINC000013526185	562991694	/nfs/dbraw/zinc/99/16/94/562991694.db2.gz	OJZXUFDBDMQATJ-UHFFFAOYSA-N	1	0	443.591	4.694	1	0		IJAFRO
N=C1NC(=[NH2+])N[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1c1ccc(Cl)cc1	ZINC000013559321	562993888	/nfs/dbraw/zinc/99/38/88/562993888.db2.gz	XUIBIPYYOOBIOH-IBGZPJMESA-N	1	0	426.307	4.934	1	0		IJAFRO
COc1cc2c(cc1OC)C(=O)C[C@H](C[NH+]1CCC(c3noc4cc(F)ccc43)CC1)C2	ZINC000013589207	562996220	/nfs/dbraw/zinc/99/62/20/562996220.db2.gz	QESXIMMZZQIWKG-OAHLLOKOSA-N	1	0	438.499	4.609	1	0		IJAFRO
O=C1OC2(CN1Cc1ccc(F)cc1F)CC[NH+](CCc1c[nH]c3ccc(F)cc13)CC2	ZINC000013743433	563003632	/nfs/dbraw/zinc/00/36/32/563003632.db2.gz	DPDRJMPETZAXAF-UHFFFAOYSA-N	1	0	443.469	4.615	1	0		IJAFRO
CCC[N@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(O)c2C1	ZINC000013759327	563004794	/nfs/dbraw/zinc/00/47/94/563004794.db2.gz	DKBWCVGVAIKQPY-IBGZPJMESA-N	1	0	444.591	4.590	1	0		IJAFRO
COc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(Br)c2ccccc21	ZINC000013862863	563013154	/nfs/dbraw/zinc/01/31/54/563013154.db2.gz	UWMANVFYGMUYDW-HNNXBMFYSA-N	1	0	431.374	4.748	1	0		IJAFRO
C[NH+](C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc12	ZINC000013864760	563013628	/nfs/dbraw/zinc/01/36/28/563013628.db2.gz	PLQFOHQKYPNKGC-UHFFFAOYSA-N	1	0	434.561	4.561	1	0		IJAFRO
O[C@H](CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)c1cccs1	ZINC000022927436	563026143	/nfs/dbraw/zinc/02/61/43/563026143.db2.gz	OQYPLENQYOPPFV-XMMPIXPASA-N	1	0	436.621	4.595	1	0		IJAFRO
COc1ccc([S@](=O)c2ccc([C@H](C)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1	ZINC000022944613	563026935	/nfs/dbraw/zinc/02/69/35/563026935.db2.gz	YQGXZPSEAUHNIN-WRGVRERRSA-N	1	0	426.626	4.873	1	0		IJAFRO
C[C@](O)(CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1	ZINC000023360861	563027078	/nfs/dbraw/zinc/02/70/78/563027078.db2.gz	RMWQLXLFYHDPRH-LJAQVGFWSA-N	1	0	444.619	4.708	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1	ZINC000026391264	563031637	/nfs/dbraw/zinc/03/16/37/563031637.db2.gz	WLYGOGBWJMMWNS-MHZLTWQESA-N	1	0	435.612	4.645	1	0		IJAFRO
CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2ncncc2C1	ZINC000026645999	563034471	/nfs/dbraw/zinc/03/44/71/563034471.db2.gz	UYAJEEPVQYLWDN-SANMLTNESA-N	1	0	442.607	4.923	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3ccc(F)cc3)CC1)OCC(C)(C)C2	ZINC000027735281	563046337	/nfs/dbraw/zinc/04/63/37/563046337.db2.gz	WZFORXCJYIXCAX-HSZRJFAPSA-N	1	0	442.575	4.695	1	0		IJAFRO
COc1cc2c(cc1OC)[C@](C)(CCC[NH+]1CCN(c3ccccc3Cl)CC1)OCC2	ZINC000027882201	563047842	/nfs/dbraw/zinc/04/78/42/563047842.db2.gz	MJPQXRXROMIPNW-VWLOTQADSA-N	1	0	445.003	4.748	1	0		IJAFRO
COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Cl)cc2)CCC[C@H]1C[NH+](C)C	ZINC000028092249	563050405	/nfs/dbraw/zinc/05/04/05/563050405.db2.gz	XVIUTJCCMYWUHN-HNNXBMFYSA-N	1	0	432.973	4.522	1	0		IJAFRO
COc1cc(NCc2ccccc2)c(Cl)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000028231728	563051912	/nfs/dbraw/zinc/05/19/12/563051912.db2.gz	SWVWMJGYKMOWMW-OAQYLSRUSA-N	1	0	449.982	4.965	1	0		IJAFRO
COc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000028522335	563056110	/nfs/dbraw/zinc/05/61/10/563056110.db2.gz	OMRQJXNDCQSFIT-VWLOTQADSA-N	1	0	436.600	4.508	1	0		IJAFRO
Cc1ccccc1C(c1ccccc1C)[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1	ZINC000028886179	563068122	/nfs/dbraw/zinc/06/81/22/563068122.db2.gz	KSPKRQXUKZRGJM-UHFFFAOYSA-N	1	0	425.576	4.821	1	0		IJAFRO
CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)cc1	ZINC000029042420	563072152	/nfs/dbraw/zinc/07/21/52/563072152.db2.gz	NVLZMKLJWHULAG-RPWUZVMVSA-N	1	0	426.004	4.647	1	0		IJAFRO
Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCc3ccncc3)CC2)cc1	ZINC000029566588	563082706	/nfs/dbraw/zinc/08/27/06/563082706.db2.gz	VOBQXULJPFYESQ-UHFFFAOYSA-N	1	0	429.543	4.738	1	0		IJAFRO
COc1ccc(N2Cc3c(nc(C)c(C[NH3+])c3-c3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000034804221	563087805	/nfs/dbraw/zinc/08/78/05/563087805.db2.gz	JSBRNGDYGFBUPK-UHFFFAOYSA-N	1	0	428.319	4.992	1	0		IJAFRO
CCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O	ZINC000040406132	563101250	/nfs/dbraw/zinc/10/12/50/563101250.db2.gz	AJCMEBINTIHGEB-UHFFFAOYSA-N	1	0	425.576	4.937	1	0		IJAFRO
Cc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3NC(N)=[NH2+])c2c1	ZINC000040878764	563109678	/nfs/dbraw/zinc/10/96/78/563109678.db2.gz	IJFIVCWBEUIUED-WCWNVHNDSA-N	1	0	434.975	4.968	1	0		IJAFRO
CC(=O)CN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCC(C)(C)c4ccccc43)CC2)C1=O	ZINC000040891700	563109926	/nfs/dbraw/zinc/10/99/26/563109926.db2.gz	SFJKZKRGYFETAG-RUZDIDTESA-N	1	0	445.607	4.529	1	0		IJAFRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)Nc3ccccc3N)cc1)CC2	ZINC000040899863	563110909	/nfs/dbraw/zinc/11/09/09/563110909.db2.gz	XOIDZEAOWYMADT-UHFFFAOYSA-N	1	0	446.551	4.531	1	0		IJAFRO
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH2+]CCCc5ccccc5)C[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000040972388	563114830	/nfs/dbraw/zinc/11/48/30/563114830.db2.gz	QZXZHENTRVJFNA-SMNCUOCCSA-N	1	0	425.657	4.952	1	0		IJAFRO
O=C(NC1CCC([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1)c1cc2ccccc2[nH]1	ZINC000045201958	563124813	/nfs/dbraw/zinc/12/48/13/563124813.db2.gz	NGXOTMIYTXDTEC-KXTRFFEISA-N	1	0	431.580	4.890	1	0		IJAFRO
O=c1[nH]c2cccc(OCC3CC[NH+](C[C@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1	ZINC000045244871	563126302	/nfs/dbraw/zinc/12/63/02/563126302.db2.gz	WAFDZIYPGQIZQE-KRWDZBQOSA-N	1	0	449.526	4.637	1	0		IJAFRO
Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCC[NH+]1CCCC1	ZINC000045254776	563127108	/nfs/dbraw/zinc/12/71/08/563127108.db2.gz	GJXJIFCLKKBEAW-UHFFFAOYSA-N	1	0	439.947	4.859	1	0		IJAFRO
CCC[N@H+](CCN1CCN(c2cccc3ccccc32)CC1)[C@H]1CCc2ccc(O)cc2C1	ZINC000045254798	563127111	/nfs/dbraw/zinc/12/71/11/563127111.db2.gz	JCZBIVTZYYLWOL-SANMLTNESA-N	1	0	443.635	4.937	1	0		IJAFRO
Cc1ccc(C(=O)Nc2cccc(CN3CCC[N@H+](Cc4ccc(O)cc4)CC3)c2)cc1	ZINC000045315466	563129797	/nfs/dbraw/zinc/12/97/97/563129797.db2.gz	NRBDRJUIYUEBHX-UHFFFAOYSA-N	1	0	429.564	4.661	1	0		IJAFRO
Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](C)CCC3)s1	ZINC000045322438	563130363	/nfs/dbraw/zinc/13/03/63/563130363.db2.gz	WUKHWUVCXIWQLE-UHFFFAOYSA-N	1	0	434.487	4.798	1	0		IJAFRO
COc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1CN1CCC[N@H+](C)CC1	ZINC000045323146	563130645	/nfs/dbraw/zinc/13/06/45/563130645.db2.gz	SHFMTQGWCBNBRD-UHFFFAOYSA-N	1	0	429.564	4.752	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CCN(c3cccc(C)c3C)CC2)o1	ZINC000053295779	563141811	/nfs/dbraw/zinc/14/18/11/563141811.db2.gz	XGSZSBTYGHUQIW-UHFFFAOYSA-N	1	0	432.612	4.823	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)o1	ZINC000053294936	563141852	/nfs/dbraw/zinc/14/18/52/563141852.db2.gz	WCNBFWWJRUYDFG-UHFFFAOYSA-N	1	0	439.003	4.859	1	0		IJAFRO
COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4ccccc4C[NH+](C)C)cn23)cc1OC	ZINC000061897448	563147600	/nfs/dbraw/zinc/14/76/00/563147600.db2.gz	BVBJSXWQWVZVNC-UHFFFAOYSA-N	1	0	444.535	4.706	3	0		IJAFRO
[NH3+]CCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O	ZINC000063540085	563152409	/nfs/dbraw/zinc/15/24/09/563152409.db2.gz	KXPWWMPXNUOYOH-UHFFFAOYSA-N	1	0	448.910	4.863	1	0		IJAFRO
O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cccc(C(F)(F)F)c1	ZINC000064277734	563152717	/nfs/dbraw/zinc/15/27/17/563152717.db2.gz	VKTPJBOTXNXDRU-FQEVSTJZSA-N	1	0	426.504	4.601	1	0		IJAFRO
CC[NH+](CC)CCNC(=O)c1sc(-c2nc3ccccc3n2Cc2ccccc2)nc1C	ZINC000066079207	563157862	/nfs/dbraw/zinc/15/78/62/563157862.db2.gz	SZFYOSXOOVVGDM-UHFFFAOYSA-N	1	0	447.608	4.588	1	0		IJAFRO
O[C@@H]1C[N@H+](Cc2cccs2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1	ZINC000072137835	563164290	/nfs/dbraw/zinc/16/42/90/563164290.db2.gz	GKOCBPKFAWMLBJ-TZRRMPRUSA-N	1	0	434.540	4.695	1	0		IJAFRO
CC(=O)N[C@@H]1Cc2ccc(C(=O)CCC[NH+]3CCC(c4ccc(Cl)cc4)CC3)cc2C1	ZINC000073169298	563169787	/nfs/dbraw/zinc/16/97/87/563169787.db2.gz	HVVAWNSFFPDJJU-RUZDIDTESA-N	1	0	438.999	4.786	1	0		IJAFRO
O[C@]1(c2ccc(F)c(F)c2)CC[NH2+]C[C@@H]1c1cc(-c2c(Cl)cccc2Cl)no1	ZINC000084616584	563174303	/nfs/dbraw/zinc/17/43/03/563174303.db2.gz	UPRILTGQBKRVGC-ODXCJYRJSA-N	1	0	425.262	4.891	1	0		IJAFRO
[NH3+][C@H]1CCc2ccc(OCCNC(=O)CC3CC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000088260732	563180080	/nfs/dbraw/zinc/18/00/80/563180080.db2.gz	QAZDEMPMURASQS-OFNKIYASSA-N	1	0	447.406	4.888	1	0		IJAFRO
O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1	ZINC000096173845	563195983	/nfs/dbraw/zinc/19/59/83/563195983.db2.gz	RUHFKYBMZVVZRM-LOSJGSFVSA-N	1	0	429.589	4.668	1	0		IJAFRO
Cc1cccc2c1cc(C(=O)NCc1ccnc3ccccc13)n2Cc1cccc(C(N)=[NH2+])c1	ZINC000003831916	562939056	/nfs/dbraw/zinc/93/90/56/562939056.db2.gz	SQPDVAHZKMVLQQ-UHFFFAOYSA-N	1	0	447.542	4.760	1	0		IJAFRO
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CN(c3cc[nH+]cc3)C2)CC1	ZINC000003955810	562939875	/nfs/dbraw/zinc/93/98/75/562939875.db2.gz	UCRVBMDMMQNGEE-UHFFFAOYSA-N	1	0	443.391	4.862	1	0		IJAFRO
O=C(c1cnccn1)N1CCC2(CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1	ZINC000003955913	562939995	/nfs/dbraw/zinc/93/99/95/562939995.db2.gz	NBPPWWHRJXBDGQ-UHFFFAOYSA-N	1	0	426.564	4.584	1	0		IJAFRO
CN(C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)[C@@H]1CCCC[C@H]1[NH+]1CCCC1	ZINC000006010255	562945750	/nfs/dbraw/zinc/94/57/50/562945750.db2.gz	SHOSXOJPKBDSIE-UBFVSLLYSA-N	1	0	449.595	4.520	1	0		IJAFRO
COc1ccc2ccccc2c1C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccccc3)O2)CC1	ZINC000011911152	562979776	/nfs/dbraw/zinc/97/97/76/562979776.db2.gz	BOKYKOBEZKSTQU-QHCPKHFHSA-N	1	0	444.575	4.792	1	0		IJAFRO
COC(=O)c1sc2nc(C[NH+]3CCC(C)CC3)ccc2c1NC(=O)c1ccc(C)s1	ZINC000011979355	562980092	/nfs/dbraw/zinc/98/00/92/562980092.db2.gz	VNPPUTWGJJKZQV-UHFFFAOYSA-N	1	0	443.594	4.937	1	0		IJAFRO
CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)c(C)n1	ZINC000012316478	562981168	/nfs/dbraw/zinc/98/11/68/562981168.db2.gz	FIHSTCWFBDOULE-HXUWFJFHSA-N	1	0	442.567	4.605	3	0		IJAFRO
O=C(COc1cc(F)cc(C(F)(F)F)c1)N(Cc1cccc(Cl)c1)C1CC[NH2+]CC1	ZINC000013437326	562986074	/nfs/dbraw/zinc/98/60/74/562986074.db2.gz	YCMQWLNVCKPVCD-UHFFFAOYSA-N	1	0	444.856	4.658	1	0		IJAFRO
COc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1	ZINC000013443616	562986743	/nfs/dbraw/zinc/98/67/43/562986743.db2.gz	ZGWSSZLLOHMLII-OAQYLSRUSA-N	1	0	425.548	4.643	1	0		IJAFRO
CC(=O)Nc1cccc([C@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1	ZINC000013446391	562986929	/nfs/dbraw/zinc/98/69/29/562986929.db2.gz	FCEBQYDCYXPCAL-QFIPXVFZSA-N	1	0	448.394	4.790	1	0		IJAFRO
C[C@@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1	ZINC000013523355	562991409	/nfs/dbraw/zinc/99/14/09/562991409.db2.gz	COAUZXWBCIRBQG-MUUNZHRXSA-N	1	0	444.575	4.899	1	0		IJAFRO
COc1ccc2c(c1)c(CC[N@H+](C)Cc1ccccc1)cn2S(=O)(=O)c1ccccc1	ZINC000013553354	562992834	/nfs/dbraw/zinc/99/28/34/562992834.db2.gz	CMWBLLNCCOJNKD-UHFFFAOYSA-N	1	0	434.561	4.561	1	0		IJAFRO
COc1ccccc1CN1C[C@@H]2C[C@@H](c3[nH]c4ccc(C)cc4c3C)[N@@H+]3CCC[C@@]23C1=O	ZINC000013595929	562996637	/nfs/dbraw/zinc/99/66/37/562996637.db2.gz	KJQZYBKFXKAXSO-XAXKJMDRSA-N	1	0	429.564	4.731	3	0		IJAFRO
C[N@@H+]1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc12	ZINC000013607566	562997474	/nfs/dbraw/zinc/99/74/74/562997474.db2.gz	ZVQLQRWNPNZTMX-KRWDZBQOSA-N	1	0	437.487	4.624	1	0		IJAFRO
O=c1cc(NC2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)c2cc(Cl)ccc2o1	ZINC000013673199	563000187	/nfs/dbraw/zinc/00/01/87/563000187.db2.gz	KSHGPOSCFJFCQM-UHFFFAOYSA-N	1	0	448.853	4.844	1	0		IJAFRO
COc1ccccc1Oc1cccc(C[NH+]2CCC(NC(=O)Cc3ccccc3)CC2)c1	ZINC000013686221	563001200	/nfs/dbraw/zinc/00/12/00/563001200.db2.gz	BABAHNGGVSLMEF-UHFFFAOYSA-N	1	0	430.548	4.811	1	0		IJAFRO
COc1ccc(NC(C)=O)cc1OCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1	ZINC000013740875	563003221	/nfs/dbraw/zinc/00/32/21/563003221.db2.gz	KJAGCMXHUYDGQP-UHFFFAOYSA-N	1	0	441.503	4.582	1	0		IJAFRO
COc1cc(OCCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)ccc1C(C)=O	ZINC000013740872	563003246	/nfs/dbraw/zinc/00/32/46/563003246.db2.gz	XPIKLKLJSVJPIO-UHFFFAOYSA-N	1	0	426.488	4.827	1	0		IJAFRO
CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1	ZINC000013819433	563009877	/nfs/dbraw/zinc/00/98/77/563009877.db2.gz	AIEWGCAUTFKWHF-SKBVVQJISA-N	1	0	438.587	4.830	1	0		IJAFRO
COc1ccc(SC[C@@H](Cc2ccccc2)N2CC[N@H+](CC(C)C)CCC2=O)cc1	ZINC000013829718	563010942	/nfs/dbraw/zinc/01/09/42/563010942.db2.gz	BISQWFWJJYVZPX-JOCHJYFZSA-N	1	0	426.626	4.589	1	0		IJAFRO
CC[NH+](CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1	ZINC000013835444	563012137	/nfs/dbraw/zinc/01/21/37/563012137.db2.gz	VJIYHBKZMXXTAX-UHFFFAOYSA-N	1	0	435.572	4.761	1	0		IJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4OC(F)(F)F)c3)cc12	ZINC000014961753	563016163	/nfs/dbraw/zinc/01/61/63/563016163.db2.gz	UZWLWPWRMAJLSK-SFHVURJKSA-N	1	0	442.441	4.781	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1	ZINC000026391260	563031632	/nfs/dbraw/zinc/03/16/32/563031632.db2.gz	WLYGOGBWJMMWNS-HHHXNRCGSA-N	1	0	435.612	4.645	1	0		IJAFRO
CC[N@@H+]1CC[C@]2(c3cccc(O)c3)Cc3[nH]c(C(=O)N(C(C)C)C(C)C)c(C)c3C[C@H]2C1	ZINC000026750821	563036646	/nfs/dbraw/zinc/03/66/46/563036646.db2.gz	ZVRPBAYLTRVIMH-KDYSTLNUSA-N	1	0	437.628	4.666	1	0		IJAFRO
C[NH+]1CCN(c2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1	ZINC000027206626	563040796	/nfs/dbraw/zinc/04/07/96/563040796.db2.gz	RLLNKRKFPKUNJC-LOSJGSFVSA-N	1	0	434.561	4.817	1	0		IJAFRO
O=C1CCc2cc(OCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)ccc2N1	ZINC000027727834	563046103	/nfs/dbraw/zinc/04/61/03/563046103.db2.gz	ZGXTVHHDFYTYTL-UHFFFAOYSA-N	1	0	448.394	4.859	1	0		IJAFRO
NC(=[NH2+])c1ccc2ccc(CN(CCc3c[nH]cn3)C(=O)c3cccc4ccccc43)cc2c1	ZINC000028521140	563055946	/nfs/dbraw/zinc/05/59/46/563055946.db2.gz	BFXZEJARMWTQJO-UHFFFAOYSA-N	1	0	447.542	4.885	1	0		IJAFRO
C[NH+]1CCN(CCOc2ccc(C3O[C@@H](c4ccccc4)[C@H](c4ccccc4)O3)cc2)CC1	ZINC000028816272	563064555	/nfs/dbraw/zinc/06/45/55/563064555.db2.gz	VQZSWXQKDQAQDU-SVBPBHIXSA-N	1	0	444.575	4.841	1	0		IJAFRO
CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CC[C@H]([NH3+])C(F)F)c1ccccc1	ZINC000028818874	563065035	/nfs/dbraw/zinc/06/50/35/563065035.db2.gz	RZPQYTXPEIHPIJ-REWPJTCUSA-N	1	0	435.465	4.614	1	0		IJAFRO
FC(F)(F)c1cccc(N2CC[NH+](CCCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1	ZINC000028823965	563065950	/nfs/dbraw/zinc/06/59/50/563065950.db2.gz	OUZRREWIEFENOJ-UHFFFAOYSA-N	1	0	436.503	4.835	1	0		IJAFRO
O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2ccccc2[nH]1	ZINC000029166870	563076331	/nfs/dbraw/zinc/07/63/31/563076331.db2.gz	DMVANBWXLUGNDG-UHFFFAOYSA-N	1	0	444.501	4.519	1	0		IJAFRO
Cc1cc(/C=C/c2ccccc2OC[C@@H](O)C[NH2+]C(C)(C)CCc2ccc(O)cc2)on1	ZINC000029232244	563077008	/nfs/dbraw/zinc/07/70/08/563077008.db2.gz	HIIBKFZBLMQTJU-YYVWFHOOSA-N	1	0	436.552	4.600	1	0		IJAFRO
CN(C(=O)[C@H]1CCc2csc3cccc1c23)[C@H]1CC[C@]2(CCCO2)C[C@@H]1[NH+]1CCCC1	ZINC000029553888	563082040	/nfs/dbraw/zinc/08/20/40/563082040.db2.gz	MPLOOKCTVWUMQO-OYSWMMLKSA-N	1	0	438.637	4.956	1	0		IJAFRO
COc1cccc(C[NH+]2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1	ZINC000034802136	563087615	/nfs/dbraw/zinc/08/76/15/563087615.db2.gz	UUGHVUGONUOFJE-UHFFFAOYSA-N	1	0	441.575	4.629	1	0		IJAFRO
C=Cc1sc(C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c(C)c1Br	ZINC000038839846	563098405	/nfs/dbraw/zinc/09/84/05/563098405.db2.gz	VITKBSBYPGCAEU-UHFFFAOYSA-N	1	0	432.387	4.895	1	0		IJAFRO
COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(NCC[NH+]2CCCCC2)n1C	ZINC000040791356	563106800	/nfs/dbraw/zinc/10/68/00/563106800.db2.gz	BTLXOEGUDFBETG-UHFFFAOYSA-N	1	0	436.531	4.578	1	0		IJAFRO
Cn1c(C(=O)c2ccccc2)c(-c2ccc(F)cc2)c(-c2ccncc2)c1N1CC[NH2+]CC1	ZINC000040818383	563107006	/nfs/dbraw/zinc/10/70/06/563107006.db2.gz	CEOJBYUIVZUMSW-UHFFFAOYSA-N	1	0	440.522	4.534	1	0		IJAFRO
COc1cccc(S(=O)(=O)n2c3ccccc3c3c2CC[N@H+](C2CCCCC2)CC3)c1	ZINC000040933269	563112195	/nfs/dbraw/zinc/11/21/95/563112195.db2.gz	JTKPMTBPHUHLSM-UHFFFAOYSA-N	1	0	438.593	4.620	1	0		IJAFRO
CCN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1	ZINC000040972984	563114957	/nfs/dbraw/zinc/11/49/57/563114957.db2.gz	LADPANBPFBHFFK-UHFFFAOYSA-N	1	0	435.915	4.517	1	0		IJAFRO
Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CC[NH2+]CC2)c2ccncc2n1-c1ccccc1	ZINC000043206827	563119637	/nfs/dbraw/zinc/11/96/37/563119637.db2.gz	HIIDOAANXPFOOE-UHFFFAOYSA-N	1	0	444.510	4.619	1	0		IJAFRO
COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)[nH+]c(NCCc3ccccc3)n2)cc1	ZINC000045191824	563123695	/nfs/dbraw/zinc/12/36/95/563123695.db2.gz	VLDCJLITQTUKAZ-QHCPKHFHSA-N	1	0	447.583	4.914	1	0		IJAFRO
CN(c1ccc(NC(=O)c2cccc(F)c2)cc1)[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1	ZINC000045230414	563126056	/nfs/dbraw/zinc/12/60/56/563126056.db2.gz	MOEBNDSQKNCZTE-DEOSSOPVSA-N	1	0	433.527	4.884	1	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCC(=O)Nc2ccc(-c3cccnc3)cc2)CC1	ZINC000045320879	563130199	/nfs/dbraw/zinc/13/01/99/563130199.db2.gz	BEDAXORGISKENF-UHFFFAOYSA-N	1	0	444.579	4.688	1	0		IJAFRO
O=C1OC(c2ccccc2)(c2ccccc2)[C@H]2C[N@H+](CCCc3ccc(F)cc3)CCN12	ZINC000045495735	563134351	/nfs/dbraw/zinc/13/43/51/563134351.db2.gz	ZOLYQIZVRHDUTB-RUZDIDTESA-N	1	0	430.523	4.839	1	0		IJAFRO
CC(C)C[NH2+]CCCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000059125431	563146240	/nfs/dbraw/zinc/14/62/40/563146240.db2.gz	KXMFWBOCXIMJKH-RUZDIDTESA-N	1	0	428.020	4.599	1	0		IJAFRO
Fc1ccc(C[NH+](CCn2cnc3ccccc32)CCn2cnc3ccccc32)c(F)c1	ZINC000064503669	563153866	/nfs/dbraw/zinc/15/38/66/563153866.db2.gz	QQDKCVGSGFEXQJ-UHFFFAOYSA-N	1	0	431.490	4.867	1	0		IJAFRO
O=C(CCC[N@@H+]1CCc2cc(OCc3ccccc3)ccc2[C@H](O)C1)c1ccc(F)cc1	ZINC000064548539	563155403	/nfs/dbraw/zinc/15/54/03/563155403.db2.gz	OZBIBLBGKRCAHD-HHHXNRCGSA-N	1	0	433.523	4.959	1	0		IJAFRO
O=c1cc(-c2ccc(Cl)cc2F)ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1	ZINC000064560263	563156220	/nfs/dbraw/zinc/15/62/20/563156220.db2.gz	RBKWTBRKCDWEQL-UHFFFAOYSA-N	1	0	436.918	4.743	1	0		IJAFRO
CCC(CC)(CNC(=O)C1CC[NH+](CCOc2ccccc2)CC1)c1ccc(F)cc1	ZINC000072113372	563163532	/nfs/dbraw/zinc/16/35/32/563163532.db2.gz	SYCQMNFVAMOPJZ-UHFFFAOYSA-N	1	0	426.576	4.791	1	0		IJAFRO
Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1	ZINC000072178376	563166202	/nfs/dbraw/zinc/16/62/02/563166202.db2.gz	PDFAUYXBJDPBCE-FQEVSTJZSA-N	1	0	448.394	4.727	1	0		IJAFRO
C=Cc1ccccc1Cn1nc(C)c(C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)c1C	ZINC000072180340	563166846	/nfs/dbraw/zinc/16/68/46/563166846.db2.gz	ZZQSFFVARQHGNE-HSZRJFAPSA-N	1	0	439.987	4.716	1	0		IJAFRO
C[C@@H](C[NH2+]C(C)(C)C)NC[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072181101	563167031	/nfs/dbraw/zinc/16/70/31/563167031.db2.gz	CSMDGUGEATZDRM-XHDPSFHLSA-N	1	0	437.428	4.672	1	0		IJAFRO
Nc1cccc(NC(=O)c2ccc(OCCC[NH+]3CCCC3)cc2OCc2ccccc2)c1	ZINC000072181797	563167315	/nfs/dbraw/zinc/16/73/15/563167315.db2.gz	BITPPNYZRRNZGQ-UHFFFAOYSA-N	1	0	445.563	4.965	1	0		IJAFRO
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NCCC[NH+](C)C)cc3)sc2c1	ZINC000084689694	563176235	/nfs/dbraw/zinc/17/62/35/563176235.db2.gz	YJQDSAKIPOCNPU-UHFFFAOYSA-N	1	0	429.973	4.797	1	0		IJAFRO
Cn1cc(-c2ccc(CN3c4ccccc4[C@@]4(CC[N@@H+](C5CCCC5)C4)C3=O)c(F)c2)cn1	ZINC000095591857	563190382	/nfs/dbraw/zinc/19/03/82/563190382.db2.gz	FYCQECDOZNORPN-MHZLTWQESA-N	1	0	444.554	4.659	1	0		IJAFRO
COC(=O)[C@@H]1CCC[N@@H+]1CCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C	ZINC000096271260	563196736	/nfs/dbraw/zinc/19/67/36/563196736.db2.gz	VDOKFMFBTXCKMK-NRFANRHFSA-N	1	0	435.520	4.565	1	0		IJAFRO
COc1ccccc1OCC[N@@H+](C)C[C@H](COc1cccc2c1c1ccccc1n2C)OC	ZINC000096939432	563200043	/nfs/dbraw/zinc/20/00/43/563200043.db2.gz	HEAZUQZTGPTWOT-HXUWFJFHSA-N	1	0	448.563	4.745	1	0		IJAFRO
C[C@H]([C@@H]1CN(c2ccccc2)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)[NH+]1CCCC1	ZINC000013863724	132355185	/nfs/dbraw/zinc/35/51/85/132355185.db2.gz	OYRXYIUNONBFEX-JPYJTQIMSA-N	1	0	446.422	4.738	1	0		IJAFRO
COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCC1	ZINC000003819075	562938748	/nfs/dbraw/zinc/93/87/48/562938748.db2.gz	YYXDIKIRKOJMRP-UHFFFAOYSA-N	1	0	447.362	4.907	1	0		IJAFRO
CCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[NH+]2CCCCC2)cc1	ZINC000013451472	562987404	/nfs/dbraw/zinc/98/74/04/562987404.db2.gz	FXEQLAYMPJVPAZ-UHFFFAOYSA-N	1	0	426.582	4.589	1	0		IJAFRO
CCC[NH+](CCC)CCCOc1ccc(S(=O)(=O)c2c(C)cn3ccccc23)cc1	ZINC000013451402	562987418	/nfs/dbraw/zinc/98/74/18/562987418.db2.gz	OPKSCDNGOKJVHR-UHFFFAOYSA-N	1	0	428.598	4.971	1	0		IJAFRO
CC(=O)c1ccc(N2CC[NH+](CCCCCC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1	ZINC000013586561	562995458	/nfs/dbraw/zinc/99/54/58/562995458.db2.gz	UHCPVWAOSVJECK-HHHXNRCGSA-N	1	0	447.623	4.765	1	0		IJAFRO
C[N@@H+]1CCC[C@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc12	ZINC000013607581	562997426	/nfs/dbraw/zinc/99/74/26/562997426.db2.gz	YUOITHDJQWZYHP-KRWDZBQOSA-N	1	0	437.487	4.624	1	0		IJAFRO
COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)cc3C)cc2)cc1CCC[NH+](C)C	ZINC000013737808	563002650	/nfs/dbraw/zinc/00/26/50/563002650.db2.gz	VNMPDHQLXRNAMA-UHFFFAOYSA-N	1	0	432.564	4.909	1	0		IJAFRO
O=C(NCCC[NH+]1CCC(Oc2ccccc2)CC1)C(c1ccccc1)c1ccccc1	ZINC000013755528	563004229	/nfs/dbraw/zinc/00/42/29/563004229.db2.gz	VAWXZCMJLUIOCS-UHFFFAOYSA-N	1	0	428.576	4.868	1	0		IJAFRO
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@@H+]5CCOC(C)(C)C5)C[C@]4(C)[C@H]3CC[C@]12C	ZINC000013762184	563005360	/nfs/dbraw/zinc/00/53/60/563005360.db2.gz	GUVNZSOPGMUCOO-SGCSXEKPSA-N	1	0	431.661	4.685	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@@H]1C(=O)c2ccccc2C[C@H]1c1ccccc1	ZINC000013799484	563007600	/nfs/dbraw/zinc/00/76/00/563007600.db2.gz	PDAVXRWJDNCAQA-GOTSBHOMSA-N	1	0	431.532	4.511	1	0		IJAFRO
CCCCCC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2ccccc2[nH]c1[C@@H]3O5	ZINC000013862657	563013103	/nfs/dbraw/zinc/01/31/03/563013103.db2.gz	IWSGNBBJILPDPI-CSZVXOJQSA-N	1	0	444.575	4.743	1	0		IJAFRO
CC(C)(C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1c[nH]c2ccc(C(N)=[NH2+])cc21	ZINC000014950753	563015671	/nfs/dbraw/zinc/01/56/71/563015671.db2.gz	NIEHJKGSSZTFAO-UHFFFAOYSA-N	1	0	436.519	4.707	1	0		IJAFRO
NC(=O)c1ccc2c(c1)CCO[C@H]2CC[N@H+]1CC=C(c2cccc3ccc(F)cc32)CC1	ZINC000026500541	563032702	/nfs/dbraw/zinc/03/27/02/563032702.db2.gz	XZGSTXKWHGPPEV-SANMLTNESA-N	1	0	430.523	4.871	1	0		IJAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)[C@@H](C2=CCN(C(=O)OC(C)(C)C)C=C2)C1C(=O)OC	ZINC000027718280	563045726	/nfs/dbraw/zinc/04/57/26/563045726.db2.gz	KGTRVWWZAPIANW-ASBZNUFUSA-N	1	0	446.544	4.657	1	0		IJAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)[C@H](C2=CC=CN(C(=O)OC(C)(C)C)C2)C1C(=O)OC	ZINC000027721487	563045856	/nfs/dbraw/zinc/04/58/56/563045856.db2.gz	ZJPAAGJGGUBIFL-QOJBNDRUSA-N	1	0	446.544	4.657	1	0		IJAFRO
COc1cc2c(cc1OC)C[C@H](OC)[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)C2	ZINC000027725384	563045978	/nfs/dbraw/zinc/04/59/78/563045978.db2.gz	NXCDYMUFSWUAHU-UIOOFZCWSA-N	1	0	431.576	4.998	1	0		IJAFRO
CN(C(=O)C1c2ccccc2Sc2ccccc21)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1	ZINC000027735301	563046322	/nfs/dbraw/zinc/04/63/22/563046322.db2.gz	YUSQQJSDVDQFFV-NZQKXSOJSA-N	1	0	444.600	4.549	1	0		IJAFRO
CC(=[NH2+])N1CCC(COc2cc(C)cc(OS(=O)(=O)c3ccccc3Cl)c2)CC1	ZINC000027981281	563048529	/nfs/dbraw/zinc/04/85/29/563048529.db2.gz	HQPIGEITKWJCIO-UHFFFAOYSA-N	1	0	436.961	4.504	1	0		IJAFRO
COC(=O)c1ccc(COc2ccc3cc([C@@H]([C@H](C)[NH+](C)C)n4ccnc4)ccc3c2)cc1	ZINC000028130824	563051363	/nfs/dbraw/zinc/05/13/63/563051363.db2.gz	SNSYASMKLBWRLR-AFMDSPMNSA-N	1	0	443.547	4.941	1	0		IJAFRO
Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N3CCC3)cc2F)n(-c2cc3ccccc3cc2F)n1	ZINC000028236128	563051981	/nfs/dbraw/zinc/05/19/81/563051981.db2.gz	QOOHZKNFUNSLBV-UHFFFAOYSA-N	1	0	445.473	4.895	1	0		IJAFRO
CN(C(=O)c1ccc(Br)c(Br)c1)[C@H]1CCCC[C@@]12CCC[N@@H+]2C	ZINC000028254962	563052357	/nfs/dbraw/zinc/05/23/57/563052357.db2.gz	XHBTZWGPHRHWQZ-FUHWJXTLSA-N	1	0	444.211	4.691	1	0		IJAFRO
COc1cc2c(cc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N(C(=O)Nc1cccc(Cl)c1F)CC2	ZINC000028524705	563056545	/nfs/dbraw/zinc/05/65/45/563056545.db2.gz	VJHAAOFTCZHNAY-GASCZTMLSA-N	1	0	446.954	4.611	1	0		IJAFRO
O=C(c1ccc(OCc2ccccc2)cc1)N(CCc1cccc(Cl)c1)[C@H]1CC[NH2+]C1	ZINC000028823635	563065937	/nfs/dbraw/zinc/06/59/37/563065937.db2.gz	DSMOSSPRJOLACS-DEOSSOPVSA-N	1	0	434.967	4.966	1	0		IJAFRO
O=C(c1ccc(OCc2ccccc2)cc1)N(CCc1ccccc1Cl)[C@H]1CC[NH2+]C1	ZINC000028823627	563065941	/nfs/dbraw/zinc/06/59/41/563065941.db2.gz	ZBUVTMMPDCTFFM-QHCPKHFHSA-N	1	0	434.967	4.966	1	0		IJAFRO
O=C(c1ccc(OCc2ccccc2)cc1)N(CCc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1	ZINC000028823634	563065975	/nfs/dbraw/zinc/06/59/75/563065975.db2.gz	DSMOSSPRJOLACS-XMMPIXPASA-N	1	0	434.967	4.966	1	0		IJAFRO
CC(C)C[C@@H]([NH3+])c1cccnc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1	ZINC000028826794	563066478	/nfs/dbraw/zinc/06/64/78/563066478.db2.gz	DPOBFORUNAFOOI-OAQYLSRUSA-N	1	0	449.426	4.716	1	0		IJAFRO
CC(C)[NH+](CCN(C(=O)N(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)n1)C(C)C	ZINC000029400896	563079261	/nfs/dbraw/zinc/07/92/61/563079261.db2.gz	ZNGVGDMVVDMIJK-UHFFFAOYSA-N	1	0	428.421	4.726	1	0		IJAFRO
CC(C)(C)OC(=O)CN1c2ccccc2CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1=O	ZINC000029408042	563079653	/nfs/dbraw/zinc/07/96/53/563079653.db2.gz	ZXBUXCUOFRVISV-QHCPKHFHSA-N	1	0	430.548	4.619	1	0		IJAFRO
CNC(=O)[C@@H](C)[N@@H+]1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13	ZINC000029476005	563080827	/nfs/dbraw/zinc/08/08/27/563080827.db2.gz	YMYGEOPFJNSLOI-BIIVWMMYSA-N	1	0	436.571	4.598	1	0		IJAFRO
CCC[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(Cc1ccccc1)c2=O	ZINC000029557371	563082121	/nfs/dbraw/zinc/08/21/21/563082121.db2.gz	ZKLQJKAWKATAAE-JOCHJYFZSA-N	1	0	443.543	4.790	1	0		IJAFRO
CC1(C)CN(CC[NH+]2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc21	ZINC000029560873	563082401	/nfs/dbraw/zinc/08/24/01/563082401.db2.gz	ICSRAOOGQDHJBO-UHFFFAOYSA-N	1	0	433.571	4.995	1	0		IJAFRO
C[NH+](C)CCO[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1	ZINC000034804099	563087810	/nfs/dbraw/zinc/08/78/10/563087810.db2.gz	QGKAOMFUWFHVMN-SFHVURJKSA-N	1	0	448.407	4.660	1	0		IJAFRO
COc1ccc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@@H]([NH+](C)C)C4)nc2)c3=O)cc1	ZINC000034886818	563088453	/nfs/dbraw/zinc/08/84/53/563088453.db2.gz	AQOMUAHMBWMUKN-OAQYLSRUSA-N	1	0	441.531	4.671	1	0		IJAFRO
COc1cccc2c1CC[N@H+](CCCc1c[nH]c3ccc(I)cc13)C2	ZINC000040937646	563112996	/nfs/dbraw/zinc/11/29/96/563112996.db2.gz	BZXPKSLKLWOLEJ-UHFFFAOYSA-N	1	0	446.332	4.772	1	0		IJAFRO
COc1ccc2c(c1)CC[N@@H+](CCCc1c[nH]c3ccc(I)cc13)C2	ZINC000040939552	563113332	/nfs/dbraw/zinc/11/33/32/563113332.db2.gz	IGIFNSQJPOGUFY-UHFFFAOYSA-N	1	0	446.332	4.772	1	0		IJAFRO
O=C1N=C(NC2CCCCC2)C2(CC[NH+](Cc3ccccc3)CC2)N1Cc1ccccc1	ZINC000040954106	563114370	/nfs/dbraw/zinc/11/43/70/563114370.db2.gz	WYOZUUUAVPMXIT-UHFFFAOYSA-N	1	0	430.596	4.978	1	0		IJAFRO
COc1ccc(CN2C[C@@H]3[C@@H](c4ccccc4)CC(=O)[C@H]2C[N@@H+]3Cc2ccccc2)cc1	ZINC000040954244	563114461	/nfs/dbraw/zinc/11/44/61/563114461.db2.gz	SOHVHJMUWSXPCJ-ZONZVBGPSA-N	1	0	426.560	4.507	1	0		IJAFRO
CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)[C@H]1O	ZINC000040975610	563115285	/nfs/dbraw/zinc/11/52/85/563115285.db2.gz	UBWMSSICUOCSHT-BJHCZKLTSA-N	1	0	442.688	4.937	1	0	in-vitro	IJAFRO
Cc1cc(N[C@@H](CC(C)C)C(=O)NCc2cccc(F)c2)nc(NCCc2ccccc2)[nH+]1	ZINC000045167357	563122347	/nfs/dbraw/zinc/12/23/47/563122347.db2.gz	IZIGIXWUSVYXFT-QHCPKHFHSA-N	1	0	449.574	4.722	1	0		IJAFRO
CC[C@H](C)CNC(=O)c1cccc(-c2cccc(CN3CCC([NH+]4CCCC4)CC3)c2)n1	ZINC000045202683	563125024	/nfs/dbraw/zinc/12/50/24/563125024.db2.gz	RBNVJECHJQVRGG-NRFANRHFSA-N	1	0	434.628	4.585	1	0		IJAFRO
COc1ccc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1CN1CCC[N@H+](C)CC1	ZINC000045229744	563125960	/nfs/dbraw/zinc/12/59/60/563125960.db2.gz	IWTWIMSRHMFMOS-UHFFFAOYSA-N	1	0	447.554	4.891	1	0		IJAFRO
Cc1ccc2[nH]c(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)s3)nc2c1	ZINC000045302685	563129600	/nfs/dbraw/zinc/12/96/00/563129600.db2.gz	ZHHMMXHOADLRPP-UHFFFAOYSA-N	1	0	430.577	4.994	1	0		IJAFRO
COc1cccc(CCc2ccccc2OCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1	ZINC000045495217	563134330	/nfs/dbraw/zinc/13/43/30/563134330.db2.gz	FOYIKIOMXHXEQA-UHFFFAOYSA-N	1	0	447.575	4.935	1	0		IJAFRO
COc1c(-c2ccccc2)cccc1N(C[C@H]1CCC[NH2+]1)C(=O)[C@@H](C)Oc1ccccc1	ZINC000045495979	563134448	/nfs/dbraw/zinc/13/44/48/563134448.db2.gz	LYMQRUIIBPEZDN-IFMALSPDSA-N	1	0	430.548	4.915	1	0		IJAFRO
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1	ZINC000049067400	563137365	/nfs/dbraw/zinc/13/73/65/563137365.db2.gz	QKXMYDRWGDQTAG-MHZLTWQESA-N	1	0	437.543	4.867	1	0		IJAFRO
CC(C)(c1cccc2ccccc21)[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000053295689	563141841	/nfs/dbraw/zinc/14/18/41/563141841.db2.gz	GBXGHSLAKDKUGF-UHFFFAOYSA-N	1	0	430.548	4.832	1	0		IJAFRO
c1cc2c(cn1)cc(-c1ccnc(NC3CCCCC3)c1)nc2N1CC[NH+](C2CC2)CC1	ZINC000058592542	563145591	/nfs/dbraw/zinc/14/55/91/563145591.db2.gz	AIDDIHXAPHOOIY-UHFFFAOYSA-N	1	0	428.584	4.721	1	0		IJAFRO
COc1cc(Cl)ccc1-c1ccn(-c2ccc3c(cnn3CC[NH+]3CCCC3)c2)c(=O)c1	ZINC000059082419	563146159	/nfs/dbraw/zinc/14/61/59/563146159.db2.gz	SIJIJAPOOKAJPV-UHFFFAOYSA-N	1	0	448.954	4.612	1	0		IJAFRO
O[C@@H]1C[N@H+](Cc2cccs2)[C@@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1	ZINC000061923980	563149642	/nfs/dbraw/zinc/14/96/42/563149642.db2.gz	GKOCBPKFAWMLBJ-WXFUMESZSA-N	1	0	434.540	4.695	3	0		IJAFRO
COc1ccc(OCC[NH+]2CCC(C(=O)N[C@@H](C)c3cccc4ccccc43)CC2)cc1	ZINC000061926324	563149906	/nfs/dbraw/zinc/14/99/06/563149906.db2.gz	WREPSSORDYVARY-FQEVSTJZSA-N	1	0	432.564	4.817	3	0		IJAFRO
Cc1cc2c(cc1OCCCC[NH+]1CCN(c3cccc4cccc(F)c43)CC1)C(=O)NC2	ZINC000064540717	563155330	/nfs/dbraw/zinc/15/53/30/563155330.db2.gz	LBBDMGBKCDPMSN-UHFFFAOYSA-N	1	0	447.554	4.512	1	0		IJAFRO
COc1ccc(C(=O)CCC[N@@H+]2CCc3cc(OCc4ccccc4)ccc3[C@@H](O)C2)cc1	ZINC000064560091	563156172	/nfs/dbraw/zinc/15/61/72/563156172.db2.gz	OYLYZHZQJGNNIP-NDEPHWFRSA-N	1	0	445.559	4.829	1	0		IJAFRO
CN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000072102929	563162851	/nfs/dbraw/zinc/16/28/51/563162851.db2.gz	QGKXJSZGAWMSPR-FQEVSTJZSA-N	1	0	431.458	4.947	1	0		IJAFRO
C[C@H](C[NH2+]C1CCCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072180013	563166769	/nfs/dbraw/zinc/16/67/69/563166769.db2.gz	VKFDIGARNLAZKL-SJKOYZFVSA-N	1	0	449.439	4.816	1	0		IJAFRO
C[C@@H](C[NH2+]C(C)(C)C)NC[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072181099	563167049	/nfs/dbraw/zinc/16/70/49/563167049.db2.gz	CSMDGUGEATZDRM-NHYWBVRUSA-N	1	0	437.428	4.672	1	0		IJAFRO
CC(C)(C)NC(=O)N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000072185921	563168169	/nfs/dbraw/zinc/16/81/69/563168169.db2.gz	GOCVBDJBURUEPZ-HXUWFJFHSA-N	1	0	434.506	4.752	1	0		IJAFRO
O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CC[NH+](Cc1ncccc1O)CC2	ZINC000084711529	563177591	/nfs/dbraw/zinc/17/75/91/563177591.db2.gz	NTCIRXMEJKSXTD-UHFFFAOYSA-N	1	0	436.515	4.548	1	0		IJAFRO
CC[NH+]1CCC(Nc2ccc3c(c2)C(=C(c2nc(C)c[nH]2)c2ccccc2F)C(=O)N3)CC1	ZINC000084742016	563179174	/nfs/dbraw/zinc/17/91/74/563179174.db2.gz	IQCIFDSCWKQXJA-VHXPQNKSSA-N	1	0	445.542	4.665	1	0		IJAFRO
COc1ccc2cc([C@H](O)CC[NH+]3CCC(O)(Cc4ccccc4)CC3)ccc2c1Cl	ZINC000084756895	563179299	/nfs/dbraw/zinc/17/92/99/563179299.db2.gz	ATXUZVSWVVGJPF-HSZRJFAPSA-N	1	0	439.983	4.995	1	0		IJAFRO
CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@H]([NH3+])CC2	ZINC000088260979	563180299	/nfs/dbraw/zinc/18/02/99/563180299.db2.gz	YRTNBAZNRCOKHW-BJKOFHAPSA-N	1	0	449.060	4.544	1	0		IJAFRO
Clc1ccc(-n2c(-c3ccccc3Cl)nc3c2ncnc3N[C@H]2CCC[NH2+]C2)cc1	ZINC000095572688	563184821	/nfs/dbraw/zinc/18/48/21/563184821.db2.gz	SWVBLRIGEBKRCW-HNNXBMFYSA-N	1	0	439.350	4.953	1	0		IJAFRO
Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N(C)c1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1	ZINC000095598564	563192147	/nfs/dbraw/zinc/19/21/47/563192147.db2.gz	CNZSGVDMFCIGCV-KDURUIRLSA-N	1	0	446.570	4.655	1	0		IJAFRO
O=C(c1ccc(F)cc1)N1CCCC[N@@H+]2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1	ZINC000095874107	563194765	/nfs/dbraw/zinc/19/47/65/563194765.db2.gz	NEWPXDOYLDDAMC-GMQQYTKMSA-N	1	0	444.550	4.558	1	0		IJAFRO
F[C@H]1C[NH2+]CC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn43)nc21	ZINC000096175055	563196167	/nfs/dbraw/zinc/19/61/67/563196167.db2.gz	NLZJFVXOFCFQHC-RBBKRZOGSA-N	1	0	439.494	4.690	1	0		IJAFRO
COc1ccccc1OCC[NH2+]C[C@H](O)CCCCOc1ccc2[nH]c3ccccc3c2c1	ZINC000096939494	563200079	/nfs/dbraw/zinc/20/00/79/563200079.db2.gz	MQGAVEBDNPSJBQ-HXUWFJFHSA-N	1	0	448.563	4.908	1	0		IJAFRO
COC(=O)c1sc2nc(C[N@@H+]3CCC[C@@H](C)C3)ccc2c1NC(=O)c1ccc(C)s1	ZINC000012155174	562980996	/nfs/dbraw/zinc/98/09/96/562980996.db2.gz	KONNWOXJAFWQSU-CYBMUJFWSA-N	1	0	443.594	4.937	1	0		IJAFRO
COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(C[C@@H](C)[NH+](C)C)C(=O)[C@@H]2C)cc1	ZINC000013450791	562987291	/nfs/dbraw/zinc/98/72/91/562987291.db2.gz	QJKYHGAXHUSJEM-GPMSIDNRSA-N	1	0	434.502	4.973	1	0		IJAFRO
CC(=O)c1cccc(N2CC[NH+](CCCCCC(=O)N[C@@H]3CCCc4ccccc43)CC2)c1	ZINC000013586559	562995412	/nfs/dbraw/zinc/99/54/12/562995412.db2.gz	FRXNQPUFVQPPJY-HHHXNRCGSA-N	1	0	447.623	4.765	1	0		IJAFRO
C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000013684889	563001117	/nfs/dbraw/zinc/00/11/17/563001117.db2.gz	ALQAMNULXPBAQR-QHCPKHFHSA-N	1	0	428.985	4.978	1	0		IJAFRO
COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(c2noc3ccc(F)cc32)CC1	ZINC000013740845	563003241	/nfs/dbraw/zinc/00/32/41/563003241.db2.gz	BNEJDVPNHDRBGW-UHFFFAOYSA-N	1	0	426.488	4.827	1	0		IJAFRO
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]Cc2cccc(N3CCCC3)n2)CC1	ZINC000013782348	563006772	/nfs/dbraw/zinc/00/67/72/563006772.db2.gz	OYXGDZSTYVPCRU-UHFFFAOYSA-N	1	0	447.410	4.631	1	0		IJAFRO
COc1cccc2c1CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]2C[NH+]1CCCC1	ZINC000013887183	563013755	/nfs/dbraw/zinc/01/37/55/563013755.db2.gz	OCMDNFHAZVSGIA-OAQYLSRUSA-N	1	0	433.379	4.766	1	0		IJAFRO
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4Br)c3)cc12	ZINC000014961646	563016165	/nfs/dbraw/zinc/01/61/65/563016165.db2.gz	DDPSQLRCDKUEPJ-SFHVURJKSA-N	1	0	437.341	4.645	1	0		IJAFRO
O=C(Cc1ccc(F)cc1)N(Cc1cccnc1)C1CC[NH+](CCc2cccs2)CC1	ZINC000024882419	563027412	/nfs/dbraw/zinc/02/74/12/563027412.db2.gz	WJAARBCPSJUOIT-UHFFFAOYSA-N	1	0	437.584	4.561	1	0		IJAFRO
CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnc[nH]2)cc1	ZINC000026187541	563029895	/nfs/dbraw/zinc/02/98/95/563029895.db2.gz	FFDISJYZGRAPGO-PLQXJYEYSA-N	1	0	426.564	4.788	1	0		IJAFRO
CN1Cc2c(NS(C)(=O)=O)cccc2[C@H](c2ccccc2)[NH+]=C1CCc1ccccc1	ZINC000026571013	563033355	/nfs/dbraw/zinc/03/33/55/563033355.db2.gz	RXZZKYZHXILSFV-VWLOTQADSA-N	1	0	433.577	4.624	1	0		IJAFRO
CC(C)OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2C	ZINC000026734438	563036028	/nfs/dbraw/zinc/03/60/28/563036028.db2.gz	VQGZQBKAHKWBNQ-GSPCLOLRSA-N	1	0	429.507	4.874	1	0		IJAFRO
Cc1ccc(C(C(=O)N(C)[C@H](C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c2ccc(C)cc2)cc1	ZINC000027761155	563046951	/nfs/dbraw/zinc/04/69/51/563046951.db2.gz	BVYVQTZBCILICE-RRPNLBNLSA-N	1	0	442.603	4.702	1	0		IJAFRO
COc1cc2c(cc1OC)C(C)(C)CO[C@@H]2CC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000027895557	563048158	/nfs/dbraw/zinc/04/81/58/563048158.db2.gz	GDFWIYRRTADKMZ-JOCHJYFZSA-N	1	0	445.003	4.918	1	0		IJAFRO
CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(S(N)(=O)=O)cc1	ZINC000027989448	563048882	/nfs/dbraw/zinc/04/88/82/563048882.db2.gz	FKGBFHLTSABMOL-UHFFFAOYSA-N	1	0	443.592	4.761	1	0		IJAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)onc2-c2ccccc2OC)C1C(=O)OCC	ZINC000028085461	563050244	/nfs/dbraw/zinc/05/02/44/563050244.db2.gz	MGHFQZVFUHGQDW-MFTRDONSSA-N	1	0	440.496	4.860	1	0		IJAFRO
C[NH+](C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1	ZINC000028098610	563050500	/nfs/dbraw/zinc/05/05/00/563050500.db2.gz	MNVTXUPCTQRIEV-UHFFFAOYSA-N	1	0	443.334	4.955	1	0		IJAFRO
CC[C@@H](Oc1ccc2cc(Br)ccc2c1)C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000028107771	563050725	/nfs/dbraw/zinc/05/07/25/563050725.db2.gz	DLKAESHNMPTXAJ-CLXQFRTISA-N	1	0	432.358	4.928	1	0		IJAFRO
C[NH+](C)CCNC(=O)c1ccc(-c2cc(Cl)c3c(c2)C2(CCCCC2)NC(=O)N3)cc1	ZINC000028374567	563053971	/nfs/dbraw/zinc/05/39/71/563053971.db2.gz	JSHWMJVMONRVOW-UHFFFAOYSA-N	1	0	440.975	4.593	1	0		IJAFRO
O=C1[C@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](C[N@H+]1CC[C@H](O)C1)c1ccccc1	ZINC000028395576	563054615	/nfs/dbraw/zinc/05/46/15/563054615.db2.gz	HTOGUKUMPAZKNB-SXWKCWPCSA-N	1	0	445.390	4.673	1	0		IJAFRO
COc1ccc([C@@H](C[NH2+]CCc2ccc(C)cc2)N2CCN(c3ccccc3)CC2)cc1	ZINC000028523471	563056296	/nfs/dbraw/zinc/05/62/96/563056296.db2.gz	JAXMSMJZMJEPQW-MUUNZHRXSA-N	1	0	429.608	4.699	1	0		IJAFRO
O=C(Nc1ccccc1NC(=O)c1cccc(F)c1)OCC1CCN(c2cc[nH+]cc2)CC1	ZINC000028526456	563056954	/nfs/dbraw/zinc/05/69/54/563056954.db2.gz	JGSZVWDPPHAZEZ-UHFFFAOYSA-N	1	0	448.498	4.938	1	0		IJAFRO
CCOc1ccc(C(=O)OCCCC[N@H+](CC)[C@@H]2CCc3cc(OC)ccc3C2)cc1	ZINC000028767022	563064198	/nfs/dbraw/zinc/06/41/98/563064198.db2.gz	LPXZTSOFHNAOSZ-HSZRJFAPSA-N	1	0	425.569	4.910	1	0		IJAFRO
CC(C)C[C@H]([NH3+])c1cccnc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1	ZINC000028826796	563066467	/nfs/dbraw/zinc/06/64/67/563066467.db2.gz	DPOBFORUNAFOOI-NRFANRHFSA-N	1	0	449.426	4.716	1	0		IJAFRO
O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1ccccc1)c1ccc(Cl)cc1)CC2	ZINC000028886172	563068157	/nfs/dbraw/zinc/06/81/57/563068157.db2.gz	JOQDUMOMWHMJQQ-XMMPIXPASA-N	1	0	431.967	4.858	1	0		IJAFRO
C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(Nc2ccccn2)n1	ZINC000028963713	563070906	/nfs/dbraw/zinc/07/09/06/563070906.db2.gz	KOHXYIVZWQWNHC-UHFFFAOYSA-N	1	0	439.498	4.798	1	0		IJAFRO
c1ccc2c(c1)c1c(n2CCc2nnn(CC[NH+]3CCCCC3)n2)-c2ccccc2CCC1	ZINC000040422658	563102476	/nfs/dbraw/zinc/10/24/76/563102476.db2.gz	LBKJEUIXFRLQSO-UHFFFAOYSA-N	1	0	440.595	4.512	1	0		IJAFRO
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)/C=C/c3ccccc3)cc1)CC2	ZINC000040899592	563110853	/nfs/dbraw/zinc/11/08/53/563110853.db2.gz	KMEUCDRCYYFJRQ-JLHYYAGUSA-N	1	0	442.559	4.957	1	0		IJAFRO
O[C@@H](CSc1ccccc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000043012040	563116537	/nfs/dbraw/zinc/11/65/37/563116537.db2.gz	OZJCUEXWIZYSQJ-MRXNPFEDSA-N	1	0	445.934	4.795	1	0		IJAFRO
O[C@H]1CCc2c1[nH+]ccc2Nc1ccc2c(c1)OCCN2CCc1c[nH]c2ccccc12	ZINC000043203744	563119546	/nfs/dbraw/zinc/11/95/46/563119546.db2.gz	OICNNGQJJXUBER-DEOSSOPVSA-N	1	0	426.520	4.728	1	0		IJAFRO
Cn1c(C[N@@H+]2CC[C@@H](N3CCc4cc(NC(=O)c5ccco5)ccc43)C2)cc2ccccc21	ZINC000045167233	563122290	/nfs/dbraw/zinc/12/22/90/563122290.db2.gz	BERNZOZGDQOWGZ-JOCHJYFZSA-N	1	0	440.547	4.661	1	0		IJAFRO
COc1cc(C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c(Cl)cc1O	ZINC000045167511	563122358	/nfs/dbraw/zinc/12/23/58/563122358.db2.gz	AJLNEBIVAYGWID-UHFFFAOYSA-N	1	0	443.893	4.890	1	0		IJAFRO
Cc1cccc(N2CC[NH+](C3CCC(NC(=O)c4cc5ccccc5[nH]4)CC3)CC2)c1C	ZINC000045190224	563123497	/nfs/dbraw/zinc/12/34/97/563123497.db2.gz	DMKGZWZXGWROKT-UHFFFAOYSA-N	1	0	430.596	4.648	1	0		IJAFRO
O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3ncc[nH]3)CC2)c1)c1cc2ccccc2s1	ZINC000045231145	563126198	/nfs/dbraw/zinc/12/61/98/563126198.db2.gz	QUSXWVHCBNNHRW-UHFFFAOYSA-N	1	0	445.592	4.585	1	0		IJAFRO
Nc1c(Cl)cc([C@H](O)C[NH2+]CCCCCCOCCc2ccc(O)cc2)cc1Cl	ZINC000045231255	563126226	/nfs/dbraw/zinc/12/62/26/563126226.db2.gz	VTIRRCYHYAAINK-OAQYLSRUSA-N	1	0	441.399	4.724	1	0		IJAFRO
COc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3ccc(N(C)C)cc3)cs2)C1	ZINC000045302842	563129551	/nfs/dbraw/zinc/12/95/51/563129551.db2.gz	CJUPYOALKBTFMD-LJQANCHMSA-N	1	0	449.620	4.742	1	0		IJAFRO
O=C(NCC[NH+]1CCCC1)c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1	ZINC000045322349	563130393	/nfs/dbraw/zinc/13/03/93/563130393.db2.gz	LNZROXRWPRVYGD-UHFFFAOYSA-N	1	0	428.511	4.862	1	0		IJAFRO
COc1ccccc1NC(=O)[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1	ZINC000045357395	563132731	/nfs/dbraw/zinc/13/27/31/563132731.db2.gz	GDNFCRISLXZPOR-JOCHJYFZSA-N	1	0	431.517	4.953	1	0		IJAFRO
COc1ccc(CN2C[C@@H]3[C@H](c4ccccc4)CC(=O)[C@H]2C[N@@H+]3Cc2ccccc2)cc1	ZINC000045506425	563134919	/nfs/dbraw/zinc/13/49/19/563134919.db2.gz	SOHVHJMUWSXPCJ-OYUWMTPXSA-N	1	0	426.560	4.507	1	0		IJAFRO
CCCCNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3c(=O)ccoc3c2)c1	ZINC000049035576	563136283	/nfs/dbraw/zinc/13/62/83/563136283.db2.gz	QGZSYSHLTHNVQJ-UHFFFAOYSA-N	1	0	438.524	4.582	1	0		IJAFRO
Cc1[nH]c(-c2ccccc2)cc1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2C)CC1	ZINC000049036291	563136465	/nfs/dbraw/zinc/13/64/65/563136465.db2.gz	OZHJLELZQHCGSD-UHFFFAOYSA-N	1	0	430.596	4.549	1	0		IJAFRO
OC1(c2ccc(I)cc2)CC[NH+](Cc2coc3ccccc23)CC1	ZINC000053229522	563141408	/nfs/dbraw/zinc/14/14/08/563141408.db2.gz	MGKAAGLTHAMQST-UHFFFAOYSA-N	1	0	433.289	4.521	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3ccccc3F)CC2)o1	ZINC000053294659	563141753	/nfs/dbraw/zinc/14/17/53/563141753.db2.gz	UKSMAMNXEQFKMM-UHFFFAOYSA-N	1	0	436.575	4.735	1	0		IJAFRO
O=C1NCN(c2ccccc2)C12CC[NH+](CCCN(c1ccccc1)c1ccccc1)CC2	ZINC000066258614	563160318	/nfs/dbraw/zinc/16/03/18/563160318.db2.gz	HLMBXWZUQPXPAH-UHFFFAOYSA-N	1	0	440.591	4.643	1	0		IJAFRO
CS(=O)(=O)Nc1ccc2c(c1)[C@@H]([NH+]1CCCC1)c1cc(-c3ccccc3)cnc1C=C2	ZINC000072110240	563163309	/nfs/dbraw/zinc/16/33/09/563163309.db2.gz	AAPKMLWLODKOBC-RUZDIDTESA-N	1	0	431.561	4.789	1	0		IJAFRO
Clc1ccc(-c2cc3c(o2)-c2nccn2-c2ccc(N4CC[NH2+]CC4)cc2OC3)cc1	ZINC000073240414	563171216	/nfs/dbraw/zinc/17/12/16/563171216.db2.gz	RFJBIIHNLZVSQS-UHFFFAOYSA-N	1	0	432.911	4.755	1	0		IJAFRO
CC[NH+](CC)CCCOc1c(OC)ccc2nc3c(cc21)CCc1cc2c(cc1-3)OCO2	ZINC000084704887	563176696	/nfs/dbraw/zinc/17/66/96/563176696.db2.gz	YBXAKGZFCNKNRG-UHFFFAOYSA-N	1	0	434.536	4.848	1	0		IJAFRO
O=C1N=C(c2ccc(F)cc2)C(CC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)O1	ZINC000095541868	132225604	/nfs/dbraw/zinc/22/56/04/132225604.db2.gz	GPAVMJHIFCZOAA-UHFFFAOYSA-N	1	0	436.314	4.858	1	0		IJAFRO
C[C@@H]([C@H]1CN(c2ccccc2)CCN1C(=O)Cc1ccc(Cl)c(Cl)c1)[NH+]1CCCC1	ZINC000013863723	132355223	/nfs/dbraw/zinc/35/52/23/132355223.db2.gz	OYRXYIUNONBFEX-FDDCHVKYSA-N	1	0	446.422	4.738	1	0		IJAFRO
CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000001488273	562922237	/nfs/dbraw/zinc/92/22/37/562922237.db2.gz	AFQWTODAHLZPFL-MYGQRMOZSA-N	1	0	434.367	4.760	1	0		IJAFRO
C[C@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2csc3cc(F)ccc32)CC1	ZINC000001537189	562922570	/nfs/dbraw/zinc/92/25/70/562922570.db2.gz	IWOQWCKSTOAOMQ-MRXNPFEDSA-N	1	0	435.634	4.643	1	0		IJAFRO
CC1CC[NH+](C[C@H]2CCCC[C@H]2NC(=O)c2cc(Cl)c(N)cc2OCC2CC2)CC1	ZINC000003808259	562938401	/nfs/dbraw/zinc/93/84/01/562938401.db2.gz	PPVTTWPBNHFCAJ-XMSQKQJNSA-N	1	0	434.024	4.732	1	0	in-man	IJAFRO
CN(C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1)[C@H]1CCCC[C@H]1[NH+]1CCCC1	ZINC000006010256	562945789	/nfs/dbraw/zinc/94/57/89/562945789.db2.gz	SHOSXOJPKBDSIE-ISJGIBHGSA-N	1	0	449.595	4.520	1	0		IJAFRO
Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCCc2ccccc2)C1	ZINC000008597747	562954126	/nfs/dbraw/zinc/95/41/26/562954126.db2.gz	IFXXIWZVMIXKDE-OAQYLSRUSA-N	1	0	437.971	4.874	1	0		IJAFRO
CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)[nH]1	ZINC000011935402	562979901	/nfs/dbraw/zinc/97/99/01/562979901.db2.gz	MQWTZHIUDRPNSZ-OAQYLSRUSA-N	1	0	432.568	4.807	3	0		IJAFRO
CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cnccn4)CC3)CC2)cc1	ZINC000013440405	562986261	/nfs/dbraw/zinc/98/62/61/562986261.db2.gz	ZFJZLXXHRCSZMT-UHFFFAOYSA-N	1	0	438.641	4.536	1	0		IJAFRO
C[N@H+](C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1	ZINC000013519664	562991290	/nfs/dbraw/zinc/99/12/90/562991290.db2.gz	LAMOPTHKUCXUCN-HZPDHXFCSA-N	1	0	432.333	4.928	1	0		IJAFRO
N=C1NC(=[NH2+])N[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1c1cccc(Cl)c1	ZINC000013559323	562993934	/nfs/dbraw/zinc/99/39/34/562993934.db2.gz	FWBIMLMZISAUKA-IBGZPJMESA-N	1	0	426.307	4.934	1	0		IJAFRO
O=C(CCCCC[NH+]1CCN(c2noc3ccccc32)CC1)N[C@@H]1CCCc2ccccc21	ZINC000013586535	562995322	/nfs/dbraw/zinc/99/53/22/562995322.db2.gz	ISEOJESJFBLHJX-XMMPIXPASA-N	1	0	446.595	4.704	1	0		IJAFRO
COc1cccc(N2CC[NH+](CCCCCC(=O)N[C@H]3CCCc4ccccc43)CC2)c1	ZINC000013586552	562995373	/nfs/dbraw/zinc/99/53/73/562995373.db2.gz	WCZRYYATBVEMRV-SANMLTNESA-N	1	0	435.612	4.571	1	0		IJAFRO
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@@H+]1CCCC[C@@H]1c1ccccc1	ZINC000013644947	562998649	/nfs/dbraw/zinc/99/86/49/562998649.db2.gz	HNBKFHFBSZEYKX-JOCHJYFZSA-N	1	0	442.567	4.871	1	0		IJAFRO
CN(C)C(=O)[C@@H]1CCC[N@H+](CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1	ZINC000013729575	563001723	/nfs/dbraw/zinc/00/17/23/563001723.db2.gz	XKSUMSCWGDNBTA-LJQANCHMSA-N	1	0	435.395	4.900	1	0		IJAFRO
CN(CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)C(=O)c1nsc2ccccc21	ZINC000013737884	563002677	/nfs/dbraw/zinc/00/26/77/563002677.db2.gz	HWKDDIYQGMIJRT-UHFFFAOYSA-N	1	0	438.528	4.528	1	0		IJAFRO
CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2CC[NH+]2CCCCC2)c1C	ZINC000013820808	563010057	/nfs/dbraw/zinc/01/00/57/563010057.db2.gz	NTKKYYXVVRAMIR-SSEXGKCCSA-N	1	0	442.654	4.645	1	0		IJAFRO
COc1ccc(SC[C@@H](CC(C)C)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1	ZINC000013830016	563011058	/nfs/dbraw/zinc/01/10/58/563011058.db2.gz	OGXIEJLUFRLHBV-HSZRJFAPSA-N	1	0	440.653	4.979	1	0		IJAFRO
FC(F)(F)c1ccc(O[C@H](CC[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1	ZINC000013861722	563012871	/nfs/dbraw/zinc/01/28/71/563012871.db2.gz	BMVWZIALIBDXGS-JOCHJYFZSA-N	1	0	442.485	4.828	1	0		IJAFRO
COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CC[NH+](C4CCCCC4)CC3)cc2)cc1	ZINC000026285094	563030830	/nfs/dbraw/zinc/03/08/30/563030830.db2.gz	RINSDLXTLQIMOU-UHFFFAOYSA-N	1	0	441.593	4.755	1	0		IJAFRO
NC(=O)c1ccc2c(c1)CCO[C@@H]2CC[N@H+]1CC=C(c2c[nH]c3cc(Cl)ccc32)CC1	ZINC000026499232	563032680	/nfs/dbraw/zinc/03/26/80/563032680.db2.gz	BGSCMPXCMQXFNP-XMMPIXPASA-N	1	0	435.955	4.713	1	0		IJAFRO
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000026725965	563035756	/nfs/dbraw/zinc/03/57/56/563035756.db2.gz	XGMKXFYSDRBOQV-UHFFFAOYSA-N	1	0	428.515	4.566	1	0		IJAFRO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccccc1)c1ccc(Br)cc1)[N@@H+]2C	ZINC000027215457	563041127	/nfs/dbraw/zinc/04/11/27/563041127.db2.gz	SPMFHRZZZBQTCP-WIYBCGNWSA-N	1	0	444.369	4.579	1	0		IJAFRO
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccccc1)c1ccc(Br)cc1)[N@@H+]2C	ZINC000027215454	563041142	/nfs/dbraw/zinc/04/11/42/563041142.db2.gz	SPMFHRZZZBQTCP-PPGORRQASA-N	1	0	444.369	4.579	1	0		IJAFRO
O=C1c2ccc(F)cc2C(=O)N1CCCCC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1	ZINC000027327497	563041640	/nfs/dbraw/zinc/04/16/40/563041640.db2.gz	FVDZPUYRYDLOSF-UHFFFAOYSA-N	1	0	431.511	4.863	1	0		IJAFRO
CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)C[C@@H]2OC(=O)[C@@H](CCCCC(N)=[NH2+])[C@@H]32)c1	ZINC000027437541	563042437	/nfs/dbraw/zinc/04/24/37/563042437.db2.gz	CVKFEHNQANRAAT-SONWIMMPSA-N	1	0	447.579	4.513	1	0		IJAFRO
CC(C)[C@H](C(=O)N(C)C1CCCCC1)C1(O)CC[NH+](CCc2ccccc2Cl)CC1	ZINC000027555528	563043722	/nfs/dbraw/zinc/04/37/22/563043722.db2.gz	QGEDVOVHVCTWNM-HSZRJFAPSA-N	1	0	435.052	4.773	1	0		IJAFRO
O=C1CCc2c(cccc2OCCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)N1	ZINC000027726325	563045981	/nfs/dbraw/zinc/04/59/81/563045981.db2.gz	IJUWKLVEAYGXDI-UHFFFAOYSA-N	1	0	448.394	4.859	1	0		IJAFRO
O=C(NN1CC=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1)c1ccc(Cl)cc1	ZINC000027847270	563047303	/nfs/dbraw/zinc/04/73/03/563047303.db2.gz	YPTSQCNBYMKHHX-UHFFFAOYSA-N	1	0	448.998	4.894	1	0		IJAFRO
O=c1c2ccc(OC[C@H](O)C[NH2+]C3CC3)cc2oc(-c2ccccc2)c1-c1ccccc1	ZINC000027877210	563047746	/nfs/dbraw/zinc/04/77/46/563047746.db2.gz	RGSZNNUFZKUBLJ-OAQYLSRUSA-N	1	0	427.500	4.619	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@](C)(CCC[NH+]1CCN(c3ccccc3Cl)CC1)OCC2	ZINC000027882211	563047870	/nfs/dbraw/zinc/04/78/70/563047870.db2.gz	MJPQXRXROMIPNW-RUZDIDTESA-N	1	0	445.003	4.748	1	0		IJAFRO
COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3cccc(Cl)c3)CC1)OC(C)(C)C2	ZINC000027886136	563047947	/nfs/dbraw/zinc/04/79/47/563047947.db2.gz	ACVOTXKAZROGCQ-QFIPXVFZSA-N	1	0	445.003	4.962	1	0		IJAFRO
CCC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(Cl)c(NC)cc1OC	ZINC000027983095	563048669	/nfs/dbraw/zinc/04/86/69/563048669.db2.gz	FPHFICIJDHPAHE-RBUKOAKNSA-N	1	0	429.992	4.668	1	0		IJAFRO
O=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccccc1	ZINC000028367725	563053670	/nfs/dbraw/zinc/05/36/70/563053670.db2.gz	AGAXNBQKBPGLBX-UHFFFAOYSA-N	1	0	441.167	4.513	1	0		IJAFRO
O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@H]1CC=C(c2cncnc2)CC1	ZINC000028650196	563061082	/nfs/dbraw/zinc/06/10/82/563061082.db2.gz	QTHAOPAVXYHZRO-FQEVSTJZSA-N	1	0	443.954	4.835	1	0		IJAFRO
Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(C(C)(C)C)n2C)CC3)no1	ZINC000028712481	563062968	/nfs/dbraw/zinc/06/29/68/563062968.db2.gz	YFWICZORWGKFIF-UHFFFAOYSA-N	1	0	439.629	4.659	1	0		IJAFRO
CCCO[C@H]1CCCN(C(=O)Cc2csc3ccc(Cl)cc23)[C@H]1C[NH+]1CCCC1	ZINC000029042992	563072342	/nfs/dbraw/zinc/07/23/42/563072342.db2.gz	XUPNTLROUUVTNL-SFTDATJTSA-N	1	0	435.033	4.979	1	0		IJAFRO
COc1ccc(-n2nc(-c3ccc(OCc4ccccc4)cc3)n[n+]2-c2ccccc2)cc1	ZINC000029131350	563075605	/nfs/dbraw/zinc/07/56/05/563075605.db2.gz	ZDYYMRMOVPBHOX-UHFFFAOYSA-N	1	0	435.507	4.799	1	0		IJAFRO
COc1c2ccoc2c(OC)c(OCC[NH+]2CCCCC2)c1NC(=O)NC1CCCCC1	ZINC000029406906	563079609	/nfs/dbraw/zinc/07/96/09/563079609.db2.gz	BQATYPKXKBKZKL-UHFFFAOYSA-N	1	0	445.560	4.769	1	0		IJAFRO
COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CC[NH+](C)CC1	ZINC000034800134	563087259	/nfs/dbraw/zinc/08/72/59/563087259.db2.gz	JARRHXQJNGEMMS-UHFFFAOYSA-N	1	0	430.911	4.895	1	0		IJAFRO
CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCC[NH+](C)C)c1ccccc1	ZINC000036184688	563091753	/nfs/dbraw/zinc/09/17/53/563091753.db2.gz	YKFQESUWSKBWHG-DEOSSOPVSA-N	1	0	428.527	4.732	1	0		IJAFRO
COc1ccc(CN2CC[NH+]([C@@H](c3ccccc3)[C@@H](O)c3ccc(Cl)cc3)CC2)cc1	ZINC000039238988	563098842	/nfs/dbraw/zinc/09/88/42/563098842.db2.gz	WUGJVBVRYOODFP-UIOOFZCWSA-N	1	0	436.983	4.941	1	0		IJAFRO
C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]2[N@H+](C)C1	ZINC000040373773	563099397	/nfs/dbraw/zinc/09/93/97/563099397.db2.gz	RPRVYTFKQFZVOD-GZEONTDVSA-N	1	0	438.612	4.809	1	0		IJAFRO
O[C@H](Cc1ccccc1)CN1CC[NH+](CCCCn2c3ccccc3c3ccccc32)CC1	ZINC000040860136	563107911	/nfs/dbraw/zinc/10/79/11/563107911.db2.gz	ROBMUIVVZMFXCO-RUZDIDTESA-N	1	0	441.619	4.796	1	0		IJAFRO
Cc1ccc2c(cccc2OC[C@H](C)[NH+]2CCC(Cc3ccc4c(c3)NC(=O)CO4)CC2)n1	ZINC000040937328	563112958	/nfs/dbraw/zinc/11/29/58/563112958.db2.gz	NTBBSTMZDUINTQ-IBGZPJMESA-N	1	0	445.563	4.596	1	0		IJAFRO
O=CN1CCC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1	ZINC000040972674	563114933	/nfs/dbraw/zinc/11/49/33/563114933.db2.gz	ZCILIXHTWZDACI-XMMPIXPASA-N	1	0	441.413	4.851	1	0		IJAFRO
CCN(CC)C(=[NH2+])c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1	ZINC000040975678	563115326	/nfs/dbraw/zinc/11/53/26/563115326.db2.gz	NXYGOSJGMZNVSR-UHFFFAOYSA-N	1	0	449.942	4.907	1	0		IJAFRO
O=C(NCc1ccccc1)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000043074286	563118239	/nfs/dbraw/zinc/11/82/39/563118239.db2.gz	MLASXHHBHIILFK-UHFFFAOYSA-N	1	0	442.559	4.800	1	0		IJAFRO
O=C(Nc1ccc2c(c1)CCN2[C@@H]1CCN(Cc2cc(F)cc(F)c2F)C1)c1ccco1	ZINC000045187617	563122884	/nfs/dbraw/zinc/12/28/84/563122884.db2.gz	BXVURZKXWIAPHR-LJQANCHMSA-N	1	0	441.453	4.586	1	0		IJAFRO
CCc1ccc(C(=O)Nc2cccc(CN3CCC[N@H+](Cc4ccc(O)cc4)CC3)c2)cc1	ZINC000045192819	563123921	/nfs/dbraw/zinc/12/39/21/563123921.db2.gz	AXCABXBWBMNMMI-UHFFFAOYSA-N	1	0	443.591	4.915	1	0		IJAFRO
Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCC[NH+]1CCCCC1	ZINC000045254099	563126930	/nfs/dbraw/zinc/12/69/30/563126930.db2.gz	JXWCBDFSEZOCCW-UHFFFAOYSA-N	1	0	437.519	4.735	1	0		IJAFRO
COc1cccc(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)c(-c3ccnn3C)c2)c1	ZINC000045254488	563127028	/nfs/dbraw/zinc/12/70/28/563127028.db2.gz	NDIKWQNMRLFVIL-UHFFFAOYSA-N	1	0	449.555	4.604	1	0		IJAFRO
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@H](Cc2ccco2)C(=O)N3)c1)Cc1ccccc1	ZINC000045300261	563129099	/nfs/dbraw/zinc/12/90/99/563129099.db2.gz	GGSHYVNRNBBHSC-OFVILXPXSA-N	1	0	439.515	4.569	1	0		IJAFRO
COc1ccc(CN2C[C@H]3[C@H](c4ccccc4)CC(=O)[C@@H]2C[N@@H+]3Cc2ccccc2)cc1	ZINC000045506428	563134928	/nfs/dbraw/zinc/13/49/28/563134928.db2.gz	SOHVHJMUWSXPCJ-QKDODKLFSA-N	1	0	426.560	4.507	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CCN(c3ccccc3Cl)CC2)o1	ZINC000053230640	563141338	/nfs/dbraw/zinc/14/13/38/563141338.db2.gz	LOIUWZNVKNGYKO-UHFFFAOYSA-N	1	0	439.003	4.859	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3cccc(OC)c3)CC2)o1	ZINC000053297231	563141944	/nfs/dbraw/zinc/14/19/44/563141944.db2.gz	FNYDUTZJZHVTBF-UHFFFAOYSA-N	1	0	448.611	4.605	1	0		IJAFRO
Cc1cc(OCCC[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)ccc1-c1nc2c(ccc(F)c2C)[nH]1	ZINC000058538342	563144083	/nfs/dbraw/zinc/14/40/83/563144083.db2.gz	RCRPDVSTEDUJHC-CYFREDJKSA-N	1	0	436.575	4.781	1	0		IJAFRO
O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2cccs2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1	ZINC000061923692	563149550	/nfs/dbraw/zinc/14/95/50/563149550.db2.gz	CWIDKNYRKVJIET-SGNDLWITSA-N	1	0	434.540	4.695	3	0		IJAFRO
O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2cccs2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1	ZINC000072138235	563164296	/nfs/dbraw/zinc/16/42/96/563164296.db2.gz	CWIDKNYRKVJIET-RBZQAINGSA-N	1	0	434.540	4.695	1	0		IJAFRO
C[NH+](C)Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1c(F)cccc1F	ZINC000072172303	563165152	/nfs/dbraw/zinc/16/51/52/563165152.db2.gz	IBAUPDOUTIJFLI-UHFFFAOYSA-N	1	0	440.824	4.688	1	0		IJAFRO
Cc1cccc(C)c1Oc1c(C(=O)N2CC[NH2+]CC2)c2ncccc2n1C1CCCCC1	ZINC000072183874	563167648	/nfs/dbraw/zinc/16/76/48/563167648.db2.gz	PKGITMAZNDYLEE-UHFFFAOYSA-N	1	0	432.568	4.996	1	0		IJAFRO
[NH3+][C@@H]1CCc2ccc(OCCNC(=O)CC3CC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000088260734	563180070	/nfs/dbraw/zinc/18/00/70/563180070.db2.gz	QAZDEMPMURASQS-NFBKMPQASA-N	1	0	447.406	4.888	1	0		IJAFRO
CC(=O)Nc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)C2CC[NH2+]CC2)cc1	ZINC000095577866	563186452	/nfs/dbraw/zinc/18/64/52/563186452.db2.gz	UHHLYTRRYSHSBJ-UHFFFAOYSA-N	1	0	441.984	4.908	1	0		IJAFRO
COc1cccc(CN(CC[NH+]2CCCCC2)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)c1	ZINC000095590347	563189980	/nfs/dbraw/zinc/18/99/80/563189980.db2.gz	VRZUDQNRTCEYKK-UHFFFAOYSA-N	1	0	433.556	4.605	1	0		IJAFRO
COc1ccccc1OCC[N@@H+](C)C[C@@H](COc1cccc2c1c1ccccc1n2C)OC	ZINC000096939433	563200054	/nfs/dbraw/zinc/20/00/54/563200054.db2.gz	HEAZUQZTGPTWOT-FQEVSTJZSA-N	1	0	448.563	4.745	1	0		IJAFRO
C[NH+](C)CCOc1ccc([C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1	ZINC000003783477	562937827	/nfs/dbraw/zinc/93/78/27/562937827.db2.gz	FBLUWZJAMLYBOQ-JVACCQEYSA-N	1	0	435.608	4.943	1	0		IJAFRO
Cc1cccc(C[N@H+]2CC=C(c3noc(CCC(=O)Nc4ccc(C)c(F)c4)n3)CC2)c1	ZINC000008599104	562954563	/nfs/dbraw/zinc/95/45/63/562954563.db2.gz	XUQFJISNFBLQHV-UHFFFAOYSA-N	1	0	434.515	4.686	1	0		IJAFRO
CCOc1ccc(-c2cn3c4ccc(C(=O)NCC[NH+](CC)CC)cc4sc3n2)cc1	ZINC000009406616	562970119	/nfs/dbraw/zinc/97/01/19/562970119.db2.gz	UUULPVOGUXDYMM-UHFFFAOYSA-N	1	0	436.581	4.686	1	0		IJAFRO
CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)cc1Cl	ZINC000011935111	562979896	/nfs/dbraw/zinc/97/98/96/562979896.db2.gz	WCOQTOBKVVBVPZ-UHFFFAOYSA-N	1	0	438.959	4.980	3	0		IJAFRO
COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1	ZINC000013526291	562991687	/nfs/dbraw/zinc/99/16/87/562991687.db2.gz	MTGUKBVSRDTGQB-DTQAZKPQSA-N	1	0	449.639	4.725	1	0		IJAFRO
C/C=C(\C)C(=O)N[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O	ZINC000013587844	562995808	/nfs/dbraw/zinc/99/58/08/562995808.db2.gz	HPMZAZCMGAGHFS-SYDZCELUSA-N	1	0	442.688	4.937	1	0		IJAFRO
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCC[NH+]1CCCCC1	ZINC000013645690	562998775	/nfs/dbraw/zinc/99/87/75/562998775.db2.gz	DHVWAFJDVTWOGL-HJWRWDBZSA-N	1	0	427.541	4.756	1	0		IJAFRO
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2Cc1ccccc1I	ZINC000013740367	563003090	/nfs/dbraw/zinc/00/30/90/563003090.db2.gz	KGTFDUZBEQXSEP-OREJSRFESA-N	1	0	433.333	4.721	1	0		IJAFRO
COc1cc(C(C)=O)ccc1OCC[NH+]1CCC(c2noc3cc(Cl)ccc32)CC1	ZINC000013740842	563003251	/nfs/dbraw/zinc/00/32/51/563003251.db2.gz	AITQIGCIBUOIAD-UHFFFAOYSA-N	1	0	428.916	4.951	1	0		IJAFRO
CC[NH+](CC)CCOc1ccc(NC(=O)COc2ccccc2C(=O)c2ccccc2)cc1	ZINC000013741292	563003296	/nfs/dbraw/zinc/00/32/96/563003296.db2.gz	AVPZMKRJRCAUJT-UHFFFAOYSA-N	1	0	446.547	4.656	1	0		IJAFRO
CCCCNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3ccc(=O)oc3c2)c1	ZINC000013781330	563006639	/nfs/dbraw/zinc/00/66/39/563006639.db2.gz	MTHAAFJWKDKWDN-UHFFFAOYSA-N	1	0	438.524	4.582	1	0		IJAFRO
COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)C(C)C)c1	ZINC000013973990	563014067	/nfs/dbraw/zinc/01/40/67/563014067.db2.gz	HDTXDTWVQLQAMW-DEOSSOPVSA-N	1	0	437.584	4.777	1	0		IJAFRO
COc1ccc(Br)cc1-c1nc(CN2CCN(c3ccccc3)CC2)cs1	ZINC000016445932	563020943	/nfs/dbraw/zinc/02/09/43/563020943.db2.gz	IOPFZPQJWJQACY-UHFFFAOYSA-N	1	0	444.398	4.903	1	0		IJAFRO
Fc1ccc(CN(CCCN2CC[NH+](CCCc3ccccc3)CC2)c2ccccn2)cc1	ZINC000022925717	563025962	/nfs/dbraw/zinc/02/59/62/563025962.db2.gz	HCIIUYRSYIGWIH-UHFFFAOYSA-N	1	0	446.614	4.868	1	0		IJAFRO
C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H](O)COc1ccc(CCOCC2CCC2)cc1	ZINC000025967464	563027804	/nfs/dbraw/zinc/02/78/04/563027804.db2.gz	CGLAXSYMFVYKRL-NLFFAJNJSA-N	1	0	429.576	4.536	1	0		IJAFRO
CN1Cc2ccccc2[C@H](c2ccc(NS(C)(=O)=O)cc2)[NH+]=C1CCc1ccccc1	ZINC000026573367	563033435	/nfs/dbraw/zinc/03/34/35/563033435.db2.gz	GATXNNKIKPRGOA-VWLOTQADSA-N	1	0	433.577	4.624	1	0		IJAFRO
COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(C=Cc3cn(C)c4ccc(Cl)cc34)n[nH]2)C1	ZINC000026720381	563035607	/nfs/dbraw/zinc/03/56/07/563035607.db2.gz	SITXHAVZQRLLMP-OUEBKFTGSA-N	1	0	426.948	4.547	1	0		IJAFRO
O=C(c1ccc(F)cc1)C1CC[NH+](CCCOc2ccc3c(=O)c(Cl)coc3c2)CC1	ZINC000026815613	563036720	/nfs/dbraw/zinc/03/67/20/563036720.db2.gz	LPYONKUEGILTDF-UHFFFAOYSA-N	1	0	443.902	4.949	1	0		IJAFRO
C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)[C@@H](C2=CC=CN(C(=O)OC(C)(C)C)C2)C1C(=O)OC	ZINC000027721494	563045892	/nfs/dbraw/zinc/04/58/92/563045892.db2.gz	ZJPAAGJGGUBIFL-ASBZNUFUSA-N	1	0	446.544	4.657	1	0		IJAFRO
COc1cc(Nc2nc(-c3cc(C(N)=[NH2+])sc3SC)cs2)cc(OC)c1OC	ZINC000028007529	563049446	/nfs/dbraw/zinc/04/94/46/563049446.db2.gz	VCMYKMXIDILKGK-UHFFFAOYSA-N	1	0	436.584	4.647	1	0		IJAFRO
O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1ccc(F)cc1	ZINC000028522876	563056179	/nfs/dbraw/zinc/05/61/79/563056179.db2.gz	MOXCIMWEOUOHOV-WOJBJXKFSA-N	1	0	433.321	4.842	1	0		IJAFRO
COc1ccc(C[C@@H]2[C@H](OC(=O)Nc3ccc(Br)cc3)C3CC[NH+]2CC3)cc1	ZINC000028523808	563056361	/nfs/dbraw/zinc/05/63/61/563056361.db2.gz	YHVVEXPJMJJLSY-NHCUHLMSSA-N	1	0	445.357	4.712	1	0		IJAFRO
CCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1C/C=C/c1cc(N)ccc1OC	ZINC000028758149	563063531	/nfs/dbraw/zinc/06/35/31/563063531.db2.gz	KCAUYVZLUMQIBC-BUUKXYNASA-N	1	0	447.583	4.743	1	0		IJAFRO
CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)[NH+]2CCN(c3ccc(O)cc3)CC2)cc1	ZINC000028761793	563063803	/nfs/dbraw/zinc/06/38/03/563063803.db2.gz	PDNYLAOTRZGNIQ-HHHXNRCGSA-N	1	0	443.591	4.786	1	0		IJAFRO
C[NH2+]Cc1cc(C(=O)N2CCN(C(C)C)CC2)ccc1Oc1ccc(Cl)c(Cl)c1	ZINC000029131240	563075616	/nfs/dbraw/zinc/07/56/16/563075616.db2.gz	NZBRXUBKIJFZOJ-UHFFFAOYSA-N	1	0	436.383	4.671	1	0		IJAFRO
O=C(c1ccncn1)N1CCC2(CC1)CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2	ZINC000029133131	563075903	/nfs/dbraw/zinc/07/59/03/563075903.db2.gz	GDZWYFZOGVMUEB-UHFFFAOYSA-N	1	0	442.563	4.787	1	0		IJAFRO
CC(C)(C)OC(=O)CN1c2ccccc2CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1=O	ZINC000029408045	563079616	/nfs/dbraw/zinc/07/96/16/563079616.db2.gz	ZXBUXCUOFRVISV-HSZRJFAPSA-N	1	0	430.548	4.619	1	0		IJAFRO
O[C@H](C[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1	ZINC000029565470	563082582	/nfs/dbraw/zinc/08/25/82/563082582.db2.gz	JUSLZUMPUANAGS-AREMUKBSSA-N	1	0	444.554	4.834	1	0		IJAFRO
Fc1ccc(Cn2c(NC3CC[NH+](CCc4ccccc4)CC3)nc3cccnc32)cc1	ZINC000029569390	563082936	/nfs/dbraw/zinc/08/29/36/563082936.db2.gz	ULQPSKBMYVKOKC-UHFFFAOYSA-N	1	0	429.543	4.738	1	0		IJAFRO
COCCCO[C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](C[NH3+])CC2CCCCC2)C1	ZINC000035952201	563090514	/nfs/dbraw/zinc/09/05/14/563090514.db2.gz	WMJKWWVIOIGGCK-DSITVLBTSA-N	1	0	445.648	4.500	1	0		IJAFRO
CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CCCC[NH+](C)C)c1ccccc1	ZINC000036184687	563091651	/nfs/dbraw/zinc/09/16/51/563091651.db2.gz	YKFQESUWSKBWHG-XMMPIXPASA-N	1	0	428.527	4.732	1	0		IJAFRO
[NH3+]CCC[C@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCCC1	ZINC000036184667	563091666	/nfs/dbraw/zinc/09/16/66/563091666.db2.gz	KDIDLHQVYZHJQM-XMMPIXPASA-N	1	0	426.511	4.615	1	0		IJAFRO
[NH3+]CCC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCCC1	ZINC000036184666	563091695	/nfs/dbraw/zinc/09/16/95/563091695.db2.gz	KDIDLHQVYZHJQM-DEOSSOPVSA-N	1	0	426.511	4.615	1	0		IJAFRO
C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(Oc5ccccc5)ccc4c3=O)cn2)C1	ZINC000036351555	563093367	/nfs/dbraw/zinc/09/33/67/563093367.db2.gz	AXVWTTUGPPVVFI-IBGZPJMESA-N	1	0	427.504	4.788	1	0		IJAFRO
CCC[N@H+](CCCCn1ccc2cccc(F)c21)[C@H]1COc2c(F)ccc(C(N)=O)c2C1	ZINC000040409457	563101603	/nfs/dbraw/zinc/10/16/03/563101603.db2.gz	BJKBVFNZRMPFPS-GOSISDBHSA-N	1	0	441.522	4.514	1	0	in-vitro	IJAFRO
CCc1ccc(NC(=O)c2ccc(C(=[NH2+])N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1	ZINC000040914020	563111204	/nfs/dbraw/zinc/11/12/04/563111204.db2.gz	OKHFEZCWSGLUKP-UHFFFAOYSA-N	1	0	449.942	4.689	1	0		IJAFRO
CCC[C@@H](C)N1CC[NH+]([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]43)C[C@@H]2O)CC1	ZINC000040955458	563114651	/nfs/dbraw/zinc/11/46/51/563114651.db2.gz	WUAKXHXKLCJIQA-MHXGOWEBSA-N	1	0	446.720	4.536	1	0		IJAFRO
COc1cc(NC(=O)/C=C/c2cc(F)cc(F)c2F)cc(OCC[NH+]2CCCCC2)c1	ZINC000045187954	563123007	/nfs/dbraw/zinc/12/30/07/563123007.db2.gz	ZMRZBGQGRTYTEW-AATRIKPKSA-N	1	0	434.458	4.629	1	0		IJAFRO
Cc1cc(N2CC[NH+](CC3CCCCC3)CC2)nc(Nc2ccc(Br)cc2)n1	ZINC000045191332	563123688	/nfs/dbraw/zinc/12/36/88/563123688.db2.gz	GCSDICHPWBBWMD-UHFFFAOYSA-N	1	0	444.421	4.993	1	0		IJAFRO
O=C(c1ccccc1)N1CCC(C[N@@H+]2CCOC(c3ccccc3)(c3ccccc3)C2)CC1	ZINC000045194956	563124272	/nfs/dbraw/zinc/12/42/72/563124272.db2.gz	ODJKJMZENGPOBZ-UHFFFAOYSA-N	1	0	440.587	4.815	1	0		IJAFRO
O=c1[nH]c2cccc(OC3CC[NH+](CC[C@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1	ZINC000045245060	563126288	/nfs/dbraw/zinc/12/62/88/563126288.db2.gz	FJOGXSUKUXQYQW-MRXNPFEDSA-N	1	0	449.526	4.780	1	0		IJAFRO
CCOC(=O)c1cc2cc(OCCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)ccc2[nH]1	ZINC000045256484	563127340	/nfs/dbraw/zinc/12/73/40/563127340.db2.gz	WTIUQHNBWSFVMR-UHFFFAOYSA-N	1	0	441.959	4.589	1	0	in-vitro	IJAFRO
Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1F	ZINC000045322104	563130483	/nfs/dbraw/zinc/13/04/83/563130483.db2.gz	QWTMDVAQEPNTHI-UHFFFAOYSA-N	1	0	447.554	4.800	1	0		IJAFRO
COc1c(-c2ccccc2)cccc1N(C[C@H]1CCC[NH2+]1)C(=O)[C@H](C)Oc1ccccc1	ZINC000045495977	563134411	/nfs/dbraw/zinc/13/44/11/563134411.db2.gz	LYMQRUIIBPEZDN-RBBKRZOGSA-N	1	0	430.548	4.915	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3cccc(F)c3)CC2)o1	ZINC000053276643	563141589	/nfs/dbraw/zinc/14/15/89/563141589.db2.gz	NKNHGAJLDLPBEW-UHFFFAOYSA-N	1	0	436.575	4.735	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3cccc(C)c3)CC2)o1	ZINC000053298452	563142007	/nfs/dbraw/zinc/14/20/07/563142007.db2.gz	KZXRXCHIXHONCA-UHFFFAOYSA-N	1	0	432.612	4.904	1	0		IJAFRO
O=c1c2cc(-c3ccc(F)cc3)oc2ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1	ZINC000064559086	563155884	/nfs/dbraw/zinc/15/58/84/563155884.db2.gz	ZZLAAUPDEBUMMS-UHFFFAOYSA-N	1	0	442.494	4.835	1	0		IJAFRO
CC(C)[C@@H]1N=C(C2CCCCC2)c2ccccc2N(Cc2ccc(NC(N)=[NH2+])cc2)C1=O	ZINC000066079170	563157851	/nfs/dbraw/zinc/15/78/51/563157851.db2.gz	HNMOCLKMJHPVTD-QHCPKHFHSA-N	1	0	431.584	4.933	1	0		IJAFRO
O=C(c1cscn1)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1	ZINC000072186103	563168186	/nfs/dbraw/zinc/16/81/86/563168186.db2.gz	WPSGSIGJHFRNKW-FQEVSTJZSA-N	1	0	446.498	4.541	1	0		IJAFRO
Cn1cc([C@H](NC(=O)CC[NH+]2CCC(c3ccccc3)CC2)c2ccc(Cl)cc2)cn1	ZINC000073404825	563172807	/nfs/dbraw/zinc/17/28/07/563172807.db2.gz	QOCYFWBUTVFXBJ-RUZDIDTESA-N	1	0	436.987	4.549	1	0		IJAFRO
Cc1cnc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)nc1Oc1ccc(F)c(Cl)c1	ZINC000084604877	563174262	/nfs/dbraw/zinc/17/42/62/563174262.db2.gz	ZORVXMXEAAELIE-UHFFFAOYSA-N	1	0	441.938	4.861	1	0		IJAFRO
CC[C@@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1	ZINC000084605245	563174272	/nfs/dbraw/zinc/17/42/72/563174272.db2.gz	SIRAFHSIIDFCTL-QPPBQGQZSA-N	1	0	443.547	4.735	1	0		IJAFRO
CC[NH+]1CCC(Nc2ccc3c(c2)C(=C(c2nc(C)c[nH]2)c2cccc(F)c2)C(=O)N3)CC1	ZINC000084739197	563178934	/nfs/dbraw/zinc/17/89/34/563178934.db2.gz	DMQYDVBIPXAAJA-WCWDXBQESA-N	1	0	445.542	4.665	1	0		IJAFRO
COc1cc2nc(N3CCCC3)nc(NCCCCC[NH+]3CCCCCC3)c2cc1OC	ZINC000095493500	563180636	/nfs/dbraw/zinc/18/06/36/563180636.db2.gz	GYZVUFQZNHISNP-UHFFFAOYSA-N	1	0	441.620	4.705	1	0		IJAFRO
O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000095575980	563185814	/nfs/dbraw/zinc/18/58/14/563185814.db2.gz	VFAVYECIJIJSHX-UHFFFAOYSA-N	1	0	426.973	4.614	1	0		IJAFRO
Cc1nc2c(nc(-c3ccccc3)n2CC2CC[NH+](C)CC2)c(NCc2ccccc2)n1	ZINC000007991848	562948678	/nfs/dbraw/zinc/94/86/78/562948678.db2.gz	BWWPZJKORSJMSH-UHFFFAOYSA-N	1	0	426.568	4.756	1	0		IJAFRO
O=S1(=O)c2cccc3cccc(c23)N1CCCCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000013531222	562992064	/nfs/dbraw/zinc/99/20/64/562992064.db2.gz	JEPPJTWOSHWDBB-UHFFFAOYSA-N	1	0	449.620	4.731	1	0		IJAFRO
COc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)c2ccccc21	ZINC000013553241	562992777	/nfs/dbraw/zinc/99/27/77/562992777.db2.gz	UBVYCNOXGQYSRQ-KRWDZBQOSA-N	1	0	439.353	4.615	1	0		IJAFRO
O=C(NCCCCc1ccccc1)c1ccccc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1	ZINC000013589128	562996187	/nfs/dbraw/zinc/99/61/87/562996187.db2.gz	DDVALCPNJKCOGS-RUZDIDTESA-N	1	0	428.576	4.792	1	0		IJAFRO
C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc12	ZINC000013607578	562997495	/nfs/dbraw/zinc/99/74/95/562997495.db2.gz	YUOITHDJQWZYHP-QGZVFWFLSA-N	1	0	437.487	4.624	1	0		IJAFRO
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@@H+]1CCCC[C@H]1c1ccccc1	ZINC000013644950	562998657	/nfs/dbraw/zinc/99/86/57/562998657.db2.gz	HNBKFHFBSZEYKX-QFIPXVFZSA-N	1	0	442.567	4.871	1	0		IJAFRO
COC1CCC(C(=O)OCC2=C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3[N@H+](C)C2)CC1	ZINC000013794004	563007016	/nfs/dbraw/zinc/00/70/16/563007016.db2.gz	OMSSLUNHYWKZSZ-AQNJTLAZSA-N	1	0	436.596	4.851	1	0		IJAFRO
O=C(NC1CC[NH+](CC2CCCCCCC2)CC1)C(O)(c1ccccc1)c1ccccc1	ZINC000013862618	563013097	/nfs/dbraw/zinc/01/30/97/563013097.db2.gz	LWHQJMICDKWIDO-UHFFFAOYSA-N	1	0	434.624	4.864	1	0		IJAFRO
CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1	ZINC000022939639	563026860	/nfs/dbraw/zinc/02/68/60/563026860.db2.gz	WOKXXDOVJYUDJG-YZIHRLCOSA-N	1	0	437.628	4.681	1	0		IJAFRO
NC(=O)c1ccc2c(c1)CCO[C@H]2CC[N@H+]1CC=C(c2ccc3cc(F)ccc3c2)CC1	ZINC000026491343	563032562	/nfs/dbraw/zinc/03/25/62/563032562.db2.gz	OKKGMDDMZPMRPO-SANMLTNESA-N	1	0	430.523	4.871	1	0		IJAFRO
CN1Cc2c(NS(C)(=O)=O)cccc2[C@@H](c2ccccc2)[NH+]=C1CCc1ccccc1	ZINC000026571009	563033353	/nfs/dbraw/zinc/03/33/53/563033353.db2.gz	RXZZKYZHXILSFV-RUZDIDTESA-N	1	0	433.577	4.624	1	0		IJAFRO
CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2n[nH]cc2C1	ZINC000026645984	563034496	/nfs/dbraw/zinc/03/44/96/563034496.db2.gz	KHDCGMWSBNKZBB-RUZDIDTESA-N	1	0	430.596	4.856	1	0		IJAFRO
Cc1n(Cc2ccccc2Cl)cc[n+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000026752049	563036606	/nfs/dbraw/zinc/03/66/06/563036606.db2.gz	BOBFXPYGHIPZDA-UHFFFAOYSA-O	1	0	444.986	4.647	1	0		IJAFRO
CCCN(C(=O)[C@H](C)C1(O)CC[NH+](CCc2ccccc2Cl)CC1)C1CCCCC1	ZINC000027554101	563043643	/nfs/dbraw/zinc/04/36/43/563043643.db2.gz	YQMGWVMDBGXDSH-FQEVSTJZSA-N	1	0	435.052	4.917	1	0		IJAFRO
O=C1CCc2ccc(OCCCC[NH+]3CCN(c4ccc(Cl)cc4Cl)CC3)cc2N1	ZINC000027734221	563046355	/nfs/dbraw/zinc/04/63/55/563046355.db2.gz	JAOOSYMZEJIJJJ-UHFFFAOYSA-N	1	0	448.394	4.859	1	0		IJAFRO
Cc1cc(O[C@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)ccc1F	ZINC000028340652	563052871	/nfs/dbraw/zinc/05/28/71/563052871.db2.gz	CZHFNLNKFXGHMX-XMMPIXPASA-N	1	0	425.548	4.908	1	0		IJAFRO
O=C(CNc1c2ccccc2[nH+]c2c1CCCC2)NCCC1CCN(c2ccccc2)CC1	ZINC000028372774	563053863	/nfs/dbraw/zinc/05/38/63/563053863.db2.gz	RSRHPDZRSHKIGL-UHFFFAOYSA-N	1	0	442.607	4.948	1	0		IJAFRO
C[NH2+]CCCN(C)c1cccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1	ZINC000028639311	563059984	/nfs/dbraw/zinc/05/99/84/563059984.db2.gz	UWQPUJJRPXYRID-UHFFFAOYSA-N	1	0	444.992	4.542	1	0		IJAFRO
COc1ccc(N2C(=O)c3c4ccccc4n(C)c3[C@H]2C)cc1OCC[NH+]1CCCCC1	ZINC000028818835	563065062	/nfs/dbraw/zinc/06/50/62/563065062.db2.gz	CZLWVNMLZYHWCT-GOSISDBHSA-N	1	0	433.552	4.773	1	0		IJAFRO
O=C(c1nc2ccccc2s1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCCc1ccccc1	ZINC000029125361	563074277	/nfs/dbraw/zinc/07/42/77/563074277.db2.gz	YXDYKNZTHFDTQX-VXKWHMMOSA-N	1	0	447.604	4.567	1	0		IJAFRO
C[NH+](C)CCOc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@@H]23)cc1	ZINC000031391321	563083209	/nfs/dbraw/zinc/08/32/09/563083209.db2.gz	VBPPJMXMMHJPDP-JZFZMOLRSA-N	1	0	435.608	4.943	1	0		IJAFRO
O=C1NC(c2cccs2)(c2cccs2)CN1C1CC[NH+](Cc2cccc(F)c2)CC1	ZINC000034802180	563087579	/nfs/dbraw/zinc/08/75/79/563087579.db2.gz	PZNWDUWKLZHRGR-UHFFFAOYSA-N	1	0	441.597	4.882	1	0		IJAFRO
COc1ccccc1N1Cc2c(nc(C)c(C[NH3+])c2-c2ccc(Cl)cc2Cl)C1=O	ZINC000034804215	563087790	/nfs/dbraw/zinc/08/77/90/563087790.db2.gz	YFKUZVBMNGNFRI-UHFFFAOYSA-N	1	0	428.319	4.992	1	0	in-vitro	IJAFRO
[NH2+]=C1N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(CCC3CC3)c2)C2=NCCCN12	ZINC000035998158	563090720	/nfs/dbraw/zinc/09/07/20/563090720.db2.gz	HAEYOFDFQFNGQU-QHCPKHFHSA-N	1	0	442.485	4.604	1	0		IJAFRO
[NH2+]=C(c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1	ZINC000038470402	563097827	/nfs/dbraw/zinc/09/78/27/563097827.db2.gz	PVPAFXOMCGSNCZ-UHFFFAOYSA-N	1	0	447.926	4.661	1	0		IJAFRO
CC(C)O[C@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1ccc(Cl)c(Cl)c1	ZINC000040404344	563101149	/nfs/dbraw/zinc/10/11/49/563101149.db2.gz	GMFWGCMNPPVHCL-INIZCTEOSA-N	1	0	434.367	4.830	1	0		IJAFRO
COc1cc(-n2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OCC[NH+]1CCCC1	ZINC000040567754	563105154	/nfs/dbraw/zinc/10/51/54/563105154.db2.gz	HLCFKZFBJBYYEJ-UHFFFAOYSA-N	1	0	447.560	4.597	1	0		IJAFRO
O[C@@H](Cc1ccccc1)CN1CC[NH+](CCCCn2c3ccccc3c3ccccc32)CC1	ZINC000040860134	563107905	/nfs/dbraw/zinc/10/79/05/563107905.db2.gz	ROBMUIVVZMFXCO-VWLOTQADSA-N	1	0	441.619	4.796	1	0		IJAFRO
COc1cc2nccc(Oc3ccc(NC(=O)NCc4ccccc4)nc3)c2cc1OC	ZINC000040863733	563108543	/nfs/dbraw/zinc/10/85/43/563108543.db2.gz	FSIOLGLMHVNMFJ-UHFFFAOYSA-N	1	0	430.464	4.761	1	0		IJAFRO
C[N@H+](CC1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1	ZINC000043021585	563117231	/nfs/dbraw/zinc/11/72/31/563117231.db2.gz	CVUXESFCUHCXHB-UHFFFAOYSA-N	1	0	436.575	4.551	1	0		IJAFRO
CCCCCCNC(=O)[C@@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](CCC)CC2)N1	ZINC000045191145	563123589	/nfs/dbraw/zinc/12/35/89/563123589.db2.gz	JOQRFVUJBSXCNQ-QFIPXVFZSA-N	1	0	445.051	4.733	1	0		IJAFRO
CCC[C@H](C)Nc1nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc(C)[nH+]1	ZINC000045191678	563123773	/nfs/dbraw/zinc/12/37/73/563123773.db2.gz	WQIDCNKLWAKEQA-RDPSFJRHSA-N	1	0	445.611	4.768	1	0		IJAFRO
CC[C@H](C)CNC(=O)c1cccc(-c2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)n1	ZINC000045202677	563125113	/nfs/dbraw/zinc/12/51/13/563125113.db2.gz	BQQWROQKTPNFOZ-NRFANRHFSA-N	1	0	434.628	4.585	1	0		IJAFRO
NC(=O)C1CC[NH+](Cc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)CC1	ZINC000045229543	563125943	/nfs/dbraw/zinc/12/59/43/563125943.db2.gz	ZEJURWWDTRNWMR-UHFFFAOYSA-N	1	0	428.511	4.733	1	0		IJAFRO
Cc1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4cccc(O)c4)CC3)c2)cc1C	ZINC000045302280	563129400	/nfs/dbraw/zinc/12/94/00/563129400.db2.gz	HXPHWEJFDDRZFT-UHFFFAOYSA-N	1	0	443.591	4.969	1	0		IJAFRO
Cc1c(OCc2ccccc2-c2ccccc2)ccc2c(N3CC[NH2+]CC3)cc(=O)oc12	ZINC000049942644	563140717	/nfs/dbraw/zinc/14/07/17/563140717.db2.gz	ZEVYOZBWKYXFBL-UHFFFAOYSA-N	1	0	426.516	4.757	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3ccccc3OC)CC2)o1	ZINC000053229434	563141225	/nfs/dbraw/zinc/14/12/25/563141225.db2.gz	VQGNTXCOZBJEHI-UHFFFAOYSA-N	1	0	448.611	4.605	1	0		IJAFRO
OC1(c2ccc(Br)cc2)CC[NH+](Cc2c[nH]c3ccc(OCCF)cc23)CC1	ZINC000053229371	563141234	/nfs/dbraw/zinc/14/12/34/563141234.db2.gz	VGEYSHNQKQOFLR-UHFFFAOYSA-N	1	0	447.348	4.762	1	0		IJAFRO
CC(C)Oc1ccc([C@@H](c2cccnc2)[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1	ZINC000072102492	563162792	/nfs/dbraw/zinc/16/27/92/563162792.db2.gz	DWTLQSKVWZWBGL-SANMLTNESA-N	1	0	429.564	4.853	1	0		IJAFRO
O[C@@H](CNCC[NH2+]C1CCCCC1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000072178735	563166394	/nfs/dbraw/zinc/16/63/94/563166394.db2.gz	ONIHMPJPSQGAEI-KRWDZBQOSA-N	1	0	449.439	4.818	1	0		IJAFRO
CC(C)[NH+]1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1	ZINC000073274026	563171554	/nfs/dbraw/zinc/17/15/54/563171554.db2.gz	IHKUXVVNMSATSX-UHFFFAOYSA-N	1	0	433.478	4.827	1	0		IJAFRO
COc1ccc(CNc2ncc3c(-c4ccccc4)nn(CC4CCC([NH3+])CC4)c3n2)cc1	ZINC000084709285	563177136	/nfs/dbraw/zinc/17/71/36/563177136.db2.gz	RQLIPWFEJMTOJH-UHFFFAOYSA-N	1	0	442.567	4.632	1	0		IJAFRO
Clc1ccc2c(c1)nc(Cn1nc3ccccc3n1)n2C[C@H]1CCC[N@@H+]2CCCC[C@@H]12	ZINC000084725871	563178193	/nfs/dbraw/zinc/17/81/93/563178193.db2.gz	SHWYHWFGFBJLJF-VGSWGCGISA-N	1	0	434.975	4.747	1	0		IJAFRO
CC[NH+](CC)CCCCOc1c(I)cc(Cl)c2cccnc21	ZINC000095595346	563191285	/nfs/dbraw/zinc/19/12/85/563191285.db2.gz	BVMOVFWTWMUMMR-UHFFFAOYSA-N	1	0	432.733	4.994	1	0		IJAFRO
C[C@H]1C[C@H](c2c[nH]c3cc(F)ccc32)CC[N@@H+]1CC[C@H]1OCCc2cc(C(N)=O)ccc21	ZINC000000595147	562918465	/nfs/dbraw/zinc/91/84/65/562918465.db2.gz	ZEJSMIRALRRUAZ-RJYGXOMWSA-N	1	0	435.543	4.678	1	0		IJAFRO
CC(C)[NH+]1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1	ZINC000000602741	562918739	/nfs/dbraw/zinc/91/87/39/562918739.db2.gz	OQXCLDYUVOWDAW-UHFFFAOYSA-N	1	0	435.355	4.700	1	0		IJAFRO
COc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1	ZINC000001487006	562922246	/nfs/dbraw/zinc/92/22/46/562922246.db2.gz	BCCICFKLKIZIHQ-UHFFFAOYSA-N	1	0	445.498	4.872	1	0		IJAFRO
Cc1cccc2c1cc(C(=O)NCc1nccc3ccccc31)n2Cc1cccc(C(N)=[NH2+])c1	ZINC000003831851	562939066	/nfs/dbraw/zinc/93/90/66/562939066.db2.gz	WIOUFPHIJVNQKK-UHFFFAOYSA-N	1	0	447.542	4.760	1	0		IJAFRO
Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCCc2ccc(C)cc2)CC1	ZINC000005043369	562943773	/nfs/dbraw/zinc/94/37/73/562943773.db2.gz	PZXLCLWOXDGNRO-UHFFFAOYSA-N	1	0	431.580	4.838	1	0		IJAFRO
Cc1cc(C)c2cc(CN(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1	ZINC000008763172	562963999	/nfs/dbraw/zinc/96/39/99/562963999.db2.gz	CJDDEDMJJLHUSU-UHFFFAOYSA-N	1	0	436.531	4.826	3	0	aggregator	IJAFRO
O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc(-c4ccco4)c3)CC2)O1)c1ccccc1	ZINC000012023187	562980296	/nfs/dbraw/zinc/98/02/96/562980296.db2.gz	BYAWPLADWXMSQR-XMMPIXPASA-N	1	0	430.548	4.890	1	0		IJAFRO
COc1ccc(CC[C@@H](C)[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1	ZINC000012572653	562982747	/nfs/dbraw/zinc/98/27/47/562982747.db2.gz	RNVBPAYTVGGCEJ-OAQYLSRUSA-N	1	0	436.596	4.796	3	0		IJAFRO
O=C(NCCC[NH+]1CCC(Cc2ccc(F)cc2)CC1)NC12CC3CC(CC(C3)C1)C2	ZINC000013443575	562986661	/nfs/dbraw/zinc/98/66/61/562986661.db2.gz	NAPUJZZCCVJTMV-UHFFFAOYSA-N	1	0	427.608	4.738	1	0		IJAFRO
CC[C@H]1C(=O)N(CC[NH+](C)C)c2cccc(C(F)(F)F)c2C[C@H]1c1ccc(OC)cc1	ZINC000013450708	562987323	/nfs/dbraw/zinc/98/73/23/562987323.db2.gz	NRBGVEGWNHMORM-MOPGFXCFSA-N	1	0	434.502	4.975	1	0		IJAFRO
CC(C)(C)[NH2+]CCCOc1ccc(S(=O)(=O)c2c(C3CC3)cn3ccccc23)cc1	ZINC000013451544	562987477	/nfs/dbraw/zinc/98/74/77/562987477.db2.gz	JPAYHJQVTXRIHR-UHFFFAOYSA-N	1	0	426.582	4.807	1	0		IJAFRO
COc1cc2c(cc1OCC1CC[NH+](C)CC1)ncnc2Nc1cc(O)c(Cl)cc1F	ZINC000013472789	562988158	/nfs/dbraw/zinc/98/81/58/562988158.db2.gz	HCAUEIOBSYOQPN-UHFFFAOYSA-N	1	0	446.910	4.601	1	0		IJAFRO
COc1ccc(C(N)=[NH2+])cc1Oc1nc(Oc2cccc(N(C)C)c2)c(F)c(C)c1F	ZINC000013474061	562988672	/nfs/dbraw/zinc/98/86/72/562988672.db2.gz	JOOULGROZZINRC-UHFFFAOYSA-N	1	0	428.439	4.611	1	0		IJAFRO
CCC[NH2+]C[C@H](O)COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1	ZINC000013529244	562991921	/nfs/dbraw/zinc/99/19/21/562991921.db2.gz	XTBRTGWDWTYTTK-DEOSSOPVSA-N	1	0	447.575	4.820	1	0		IJAFRO
CC1CC[NH+](CCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc3o2)CC1	ZINC000013589410	562996365	/nfs/dbraw/zinc/99/63/65/562996365.db2.gz	PWTQSKSCUUEZIK-UHFFFAOYSA-N	1	0	432.564	4.847	1	0		IJAFRO
C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12	ZINC000013607606	562997525	/nfs/dbraw/zinc/99/75/25/562997525.db2.gz	LMRKUSRHDIWEGP-OAHLLOKOSA-N	1	0	438.380	4.912	1	0		IJAFRO
COc1cccc(OC)c1OCC[NH2+]C[C@@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1	ZINC000013756311	563004468	/nfs/dbraw/zinc/00/44/68/563004468.db2.gz	UNHGFWKSHHCRHF-LOSJGSFVSA-N	1	0	435.520	4.562	1	0		IJAFRO
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]Cc2cccc(-n3cccc3)n2)CC1	ZINC000013782308	563006809	/nfs/dbraw/zinc/00/68/09/563006809.db2.gz	LFPSRLUYDXHPCX-UHFFFAOYSA-N	1	0	443.378	4.821	1	0		IJAFRO
CCC[N@H+]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)CC(C)C)CC1	ZINC000013830520	563011052	/nfs/dbraw/zinc/01/10/52/563011052.db2.gz	DFTKBCGXQADCLI-SFHVURJKSA-N	1	0	427.452	4.900	1	0		IJAFRO
[NH3+][C@H](COc1cncc(/C=C/c2ccnc(NC3CC3)c2)c1)Cc1c[nH]c2ccccc12	ZINC000014957783	563015914	/nfs/dbraw/zinc/01/59/14/563015914.db2.gz	ORACGVPOSSYZRZ-LYSGITKLSA-N	1	0	425.536	4.651	1	0		IJAFRO
O[C@H](CC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1	ZINC000022927606	563026138	/nfs/dbraw/zinc/02/61/38/563026138.db2.gz	HSPNIXQCMSLFQK-HHHXNRCGSA-N	1	0	448.582	4.673	1	0		IJAFRO
COc1ccc([S@](=O)c2ccc([C@@H](C)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1	ZINC000022944605	563026929	/nfs/dbraw/zinc/02/69/29/563026929.db2.gz	YQGXZPSEAUHNIN-KEEVHDRGSA-N	1	0	426.626	4.873	1	0		IJAFRO
CCOC(=O)NCCCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1	ZINC000026253503	563030193	/nfs/dbraw/zinc/03/01/93/563030193.db2.gz	OUIVTLSDYIXKFW-JTHBVZDNSA-N	1	0	429.511	4.801	1	0		IJAFRO
CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)c(OC)c2)c2c([nH+]1)CCCC2	ZINC000026576247	563033609	/nfs/dbraw/zinc/03/36/09/563033609.db2.gz	BJFAUSLSIQXIQM-UHFFFAOYSA-N	1	0	441.535	4.958	1	0		IJAFRO
Cc1n(Cc2cccc(Cl)c2)cc[n+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000026819934	563036857	/nfs/dbraw/zinc/03/68/57/563036857.db2.gz	JEDYMWQOHDNOQB-UHFFFAOYSA-O	1	0	444.986	4.647	1	0		IJAFRO
COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3cccc(Cl)c3)CC1)OC(C)(C)C2	ZINC000027886141	563047980	/nfs/dbraw/zinc/04/79/80/563047980.db2.gz	ACVOTXKAZROGCQ-JOCHJYFZSA-N	1	0	445.003	4.962	1	0		IJAFRO
O=C(NCCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2	ZINC000028236858	563052004	/nfs/dbraw/zinc/05/20/04/563052004.db2.gz	SIXUZLJWMWYQSF-UHFFFAOYSA-N	1	0	430.036	4.575	1	0		IJAFRO
CC[N@H+](CCCCOC(=O)c1c(OC)cccc1OC)[C@H]1CCc2cc(OC)ccc2C1	ZINC000028765786	563064126	/nfs/dbraw/zinc/06/41/26/563064126.db2.gz	OTVUKCWIAGWBJN-NRFANRHFSA-N	1	0	441.568	4.529	1	0		IJAFRO
CCOc1ccc(-n2ncc(-c3ccc4cc(CC[N@@H+]5CCC[C@H]5C)ccc4n3)c2C)nn1	ZINC000028863004	563067062	/nfs/dbraw/zinc/06/70/62/563067062.db2.gz	JBAFEJCXHMAIBL-GOSISDBHSA-N	1	0	442.567	4.611	1	0		IJAFRO
O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccoc3)ccc21	ZINC000029048473	563072877	/nfs/dbraw/zinc/07/28/77/563072877.db2.gz	VFJQYKOAZFSECZ-IWIPYMOSSA-N	1	0	427.504	4.656	1	0		IJAFRO
CN(C[C@H](CC[NH+]1CCC(CO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1	ZINC000029558084	563082181	/nfs/dbraw/zinc/08/21/81/563082181.db2.gz	NVGPFHRBRMFXCQ-NRFANRHFSA-N	1	0	449.422	4.944	1	0		IJAFRO
COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(C=Cc3cn(C)c4ccc(Cl)cc34)n[nH]2)C1	ZINC000034106702	563085552	/nfs/dbraw/zinc/08/55/52/563085552.db2.gz	SITXHAVZQRLLMP-DEBUZZNISA-N	1	0	426.948	4.547	1	0		IJAFRO
COc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1	ZINC000034753280	563087097	/nfs/dbraw/zinc/08/70/97/563087097.db2.gz	RGWJYCCSHANDCO-UHFFFAOYSA-N	1	0	445.498	4.872	1	0	in-vitro	IJAFRO
O=C1c2cc(Cc3ccc(F)cc3)cn2CCN1CCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000036270596	563092406	/nfs/dbraw/zinc/09/24/06/563092406.db2.gz	WBVAZKKBRDFWSE-UHFFFAOYSA-N	1	0	445.582	4.902	1	0		IJAFRO
C[NH+](C)CCNC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1	ZINC000040640757	563105775	/nfs/dbraw/zinc/10/57/75/563105775.db2.gz	VSBMBSWROSFQLX-UHFFFAOYSA-N	1	0	437.758	4.791	1	0		IJAFRO
O=C(CCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccncc1	ZINC000040956122	563114771	/nfs/dbraw/zinc/11/47/71/563114771.db2.gz	RIZPYDSXCAUQAK-UHFFFAOYSA-N	1	0	442.607	4.747	1	0	in-vitro	IJAFRO
CCC[C@@H](C)Nc1nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc(C)[nH+]1	ZINC000045191675	563123777	/nfs/dbraw/zinc/12/37/77/563123777.db2.gz	WQIDCNKLWAKEQA-YKSBVNFPSA-N	1	0	445.611	4.768	1	0		IJAFRO
Cc1ccc(C[N@@H+](Cc2ccc(C(=O)N(C)C)cc2)Cc2ccc3c(c2)OCCO3)cc1C	ZINC000045201752	563124828	/nfs/dbraw/zinc/12/48/28/563124828.db2.gz	XNICYPANWGQERS-UHFFFAOYSA-N	1	0	444.575	4.979	1	0		IJAFRO
COc1ccc(-c2cccc(NC(=O)c3cccs3)c2)cc1CN1CCC[N@H+](C)CC1	ZINC000045302824	563129625	/nfs/dbraw/zinc/12/96/25/563129625.db2.gz	ZGORLCSWDPVSDN-UHFFFAOYSA-N	1	0	435.593	4.814	1	0		IJAFRO
O=C1NCc2ccc3c(c21)C[C@@H]([N@H+](CCCCc1c[nH]c2ccc(F)cc12)CC1CC1)CO3	ZINC000045335611	563131269	/nfs/dbraw/zinc/13/12/69/563131269.db2.gz	UTCHHJRKMDMXSK-OAQYLSRUSA-N	1	0	447.554	4.589	1	0		IJAFRO
CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CCN(c3ccc(C)c(C)c3)CC2)o1	ZINC000053243854	563141508	/nfs/dbraw/zinc/14/15/08/563141508.db2.gz	XYVFNTYPIZKOSP-UHFFFAOYSA-N	1	0	432.612	4.823	1	0		IJAFRO
CCCCCCC(=O)Oc1c(OC)ccc2cc3[n+](cc21)CCc1cc2c(cc1-3)OCO2	ZINC000058575873	563144846	/nfs/dbraw/zinc/14/48/46/563144846.db2.gz	KZNXZJAUEGGOBO-UHFFFAOYSA-N	1	0	434.512	4.964	1	0		IJAFRO
CCc1nc2ccc(C(=O)NCC3CCCCC3)cn2c1N(CCC(C)C)CC[NH+](C)C	ZINC000061906258	563148553	/nfs/dbraw/zinc/14/85/53/563148553.db2.gz	HZFRQUXUYLXYLK-UHFFFAOYSA-N	1	0	441.664	4.621	3	0		IJAFRO
O=C1NCN(c2ccccc2)C12CC[NH+](C1c3ccccc3Sc3ccccc31)CC2	ZINC000066261921	563160764	/nfs/dbraw/zinc/16/07/64/563160764.db2.gz	ZUVDYUYEOGUZPQ-UHFFFAOYSA-N	1	0	427.573	4.669	1	0		IJAFRO
Cc1cnc2c(c1)n(-c1ccccc1)c(Oc1cc(F)ccc1C)c2C(=O)N1CC[NH2+]CC1	ZINC000072181541	563167254	/nfs/dbraw/zinc/16/72/54/563167254.db2.gz	FEKODXBOXQARAJ-UHFFFAOYSA-N	1	0	444.510	4.619	1	0		IJAFRO
C[NH+](C)CCOc1ccc(Nc2nc3c(-c4nnc[nH]4)cccc3c3sccc32)cc1	ZINC000084596852	563174108	/nfs/dbraw/zinc/17/41/08/563174108.db2.gz	HBIPPWQOAJGLJC-UHFFFAOYSA-N	1	0	430.537	4.919	1	0		IJAFRO
Cc1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1-c1ccc(F)c(Cl)c1	ZINC000084619325	563174577	/nfs/dbraw/zinc/17/45/77/563174577.db2.gz	UWVFEAIHJGJFDY-UHFFFAOYSA-N	1	0	429.902	4.879	1	0		IJAFRO
O=C(c1ccc(-c2cccc(OCC[N@@H+](CCO)C3CCCCC3)c2)cc1)N1CCCC1	ZINC000084687334	563175692	/nfs/dbraw/zinc/17/56/92/563175692.db2.gz	MOTATCZWNXQAJJ-UHFFFAOYSA-N	1	0	436.596	4.595	1	0		IJAFRO
CCN(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CC[NH+](C)CC2)n1	ZINC000095587191	563189338	/nfs/dbraw/zinc/18/93/38/563189338.db2.gz	VBHDCLIXKVHTRP-UHFFFAOYSA-N	1	0	439.497	4.876	1	0		IJAFRO
COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)c(OC)c2)c1	ZINC000095595014	563191167	/nfs/dbraw/zinc/19/11/67/563191167.db2.gz	OEJWLFFGGRLKTR-UHFFFAOYSA-N	1	0	438.959	4.915	1	0		IJAFRO
Cc1ccc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1	ZINC000095598559	563192169	/nfs/dbraw/zinc/19/21/69/563192169.db2.gz	FFGNSDLRKCYDGD-HDICACEKSA-N	1	0	441.622	4.711	1	0		IJAFRO
CC[NH+](CC)C[C@@H](O)CN(Cc1ccc(Cl)cc1)Cc1cc2ccccc2nc1OC	ZINC000096939080	563200012	/nfs/dbraw/zinc/20/00/12/563200012.db2.gz	MSXITZFHBUNLBP-HSZRJFAPSA-N	1	0	442.003	4.602	1	0		IJAFRO