smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)n1 ZINC000065423312 205350889 /nfs/dbraw/zinc/35/08/89/205350889.db2.gz GCLJYFDVYUDCDS-IAQYHMDHSA-N 2 1 357.380 0.614 50 0 FCAAMP CCOC(=O)c1[nH]c(=O)[nH]c1C[NH+]1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067587365 205375898 /nfs/dbraw/zinc/37/58/98/205375898.db2.gz SSBDNZHBCBGETG-UHFFFAOYSA-N 2 1 351.451 0.092 50 0 FCAAMP CCOC(=O)c1[nH]c(=O)[nH]c1C[NH+]1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067587365 205375903 /nfs/dbraw/zinc/37/59/03/205375903.db2.gz SSBDNZHBCBGETG-UHFFFAOYSA-N 2 1 351.451 0.092 50 0 FCAAMP Cc1[nH+]ccn1CC1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000067739824 205386936 /nfs/dbraw/zinc/38/69/36/205386936.db2.gz JXLLVYNLPOXYAN-HNNXBMFYSA-N 2 1 357.462 0.993 50 0 FCAAMP CCc1[nH+]ccn1CCC(=O)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077343286 488411249 /nfs/dbraw/zinc/41/12/49/488411249.db2.gz JOCGSVFIBQKUMP-GOSISDBHSA-N 2 1 350.463 0.521 50 0 FCAAMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cs1 ZINC000237044126 522297657 /nfs/dbraw/zinc/29/76/57/522297657.db2.gz IDGFZKRALYTBCN-LSDHHAIUSA-N 2 1 352.504 0.757 50 0 FCAAMP CC(C)[N@@H+]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000952987300 674482212 /nfs/dbraw/zinc/48/22/12/674482212.db2.gz JYLWCBGRUYKDDN-QGZVFWFLSA-N 2 1 371.547 0.828 50 0 FCAAMP CC(C)[N@H+]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000952987300 674482214 /nfs/dbraw/zinc/48/22/14/674482214.db2.gz JYLWCBGRUYKDDN-QGZVFWFLSA-N 2 1 371.547 0.828 50 0 FCAAMP O=C1CC[C@H]([N@H+]2CCOC3(CC[NH+](Cc4cncnc4)CC3)C2)CCN1 ZINC000828305209 1197933602 /nfs/dbraw/zinc/93/36/02/1197933602.db2.gz CDLVDJKINHOFLN-KRWDZBQOSA-N 2 1 359.474 0.812 50 0 FCAAMP O=C(NCc1cc(=O)[nH]cn1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000065380578 205340928 /nfs/dbraw/zinc/34/09/28/205340928.db2.gz YGZKWAQZHABMQX-DNVCBOLYSA-N 2 1 353.426 0.520 50 0 FCAAMP CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@](C)(C1)C2 ZINC000106199292 206013211 /nfs/dbraw/zinc/01/32/11/206013211.db2.gz NIFGZRHLKJCDNF-LZQZEXGQSA-N 2 1 350.507 0.776 50 0 FCAAMP CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@](C)(C1)C2 ZINC000106199292 206013216 /nfs/dbraw/zinc/01/32/16/206013216.db2.gz NIFGZRHLKJCDNF-LZQZEXGQSA-N 2 1 350.507 0.776 50 0 FCAAMP CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@](C)(C1)C2 ZINC000106199292 206013219 /nfs/dbraw/zinc/01/32/19/206013219.db2.gz NIFGZRHLKJCDNF-LZQZEXGQSA-N 2 1 350.507 0.776 50 0 FCAAMP CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@](C)(C1)C2 ZINC000106199292 206013225 /nfs/dbraw/zinc/01/32/25/206013225.db2.gz NIFGZRHLKJCDNF-LZQZEXGQSA-N 2 1 350.507 0.776 50 0 FCAAMP Nc1cc[nH+]c(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299760695 488872042 /nfs/dbraw/zinc/87/20/42/488872042.db2.gz JHQMIHSPRZKSAZ-MRXNPFEDSA-N 2 1 374.489 0.820 50 0 FCAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072423053 488380295 /nfs/dbraw/zinc/38/02/95/488380295.db2.gz SYHADOWZVFWNLN-OAHLLOKOSA-N 2 1 362.522 0.703 50 0 FCAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072423053 488380296 /nfs/dbraw/zinc/38/02/96/488380296.db2.gz SYHADOWZVFWNLN-OAHLLOKOSA-N 2 1 362.522 0.703 50 0 FCAAMP CN1CC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)CC2)OC1=O ZINC000077388947 488412041 /nfs/dbraw/zinc/41/20/41/488412041.db2.gz AYBCONSEHIBYOV-OAHLLOKOSA-N 2 1 350.463 0.646 50 0 FCAAMP CN1CC2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CC[NH2+]CC3)CC2)OC1=O ZINC000077388947 488412043 /nfs/dbraw/zinc/41/20/43/488412043.db2.gz AYBCONSEHIBYOV-OAHLLOKOSA-N 2 1 350.463 0.646 50 0 FCAAMP O=C(CN1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2)N1CC[NH2+]CC1 ZINC000091586382 488465904 /nfs/dbraw/zinc/46/59/04/488465904.db2.gz IGAANUBVHTYNSK-FXAWDEMLSA-N 2 1 368.525 0.982 50 0 FCAAMP CN(C)c1nc(N2C[C@H](NC(=O)C[NH3+])[C@@H](C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000091690914 488467653 /nfs/dbraw/zinc/46/76/53/488467653.db2.gz DCGDYECQTXJSRX-ZBFHGGJFSA-N 2 1 358.490 0.711 50 0 FCAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@@H]2CO)CC1 ZINC000091829590 488470742 /nfs/dbraw/zinc/47/07/42/488470742.db2.gz WCXFEQWZBYHKOC-RTBURBONSA-N 2 1 360.502 0.463 50 0 FCAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2CO)CC1 ZINC000091829590 488470745 /nfs/dbraw/zinc/47/07/45/488470745.db2.gz WCXFEQWZBYHKOC-RTBURBONSA-N 2 1 360.502 0.463 50 0 FCAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@@H]2CO)CC1 ZINC000091829590 488470748 /nfs/dbraw/zinc/47/07/48/488470748.db2.gz WCXFEQWZBYHKOC-RTBURBONSA-N 2 1 360.502 0.463 50 0 FCAAMP COc1cc(C[N@@H+](C)CCO)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095513231 488485657 /nfs/dbraw/zinc/48/56/57/488485657.db2.gz KESNNYCRIDFTCP-KRWDZBQOSA-N 2 1 368.474 0.316 50 0 FCAAMP COc1ccc([C@@H]2C[N@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]2NC(C)=O)cc1 ZINC000095525248 488486863 /nfs/dbraw/zinc/48/68/63/488486863.db2.gz DGWAOFZOZFHKBX-ZWKOTPCHSA-N 2 1 360.458 0.031 50 0 FCAAMP COc1ccc([C@@H]2C[N@@H+](CC(=O)N3CC[NH2+]CC3)C[C@H]2NC(C)=O)cc1 ZINC000095525248 488486865 /nfs/dbraw/zinc/48/68/65/488486865.db2.gz DGWAOFZOZFHKBX-ZWKOTPCHSA-N 2 1 360.458 0.031 50 0 FCAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](CCN3CCOCC3)CC2)n1C ZINC000096160298 488490059 /nfs/dbraw/zinc/49/00/59/488490059.db2.gz ZIAIKUIFEGLEAC-UHFFFAOYSA-N 2 1 373.505 0.880 50 0 FCAAMP [NH3+]CCCCNC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426434171 489567714 /nfs/dbraw/zinc/56/77/14/489567714.db2.gz WZYJVIGCLCBMET-IPCDKGFNSA-N 2 1 357.502 0.592 50 0 FCAAMP Cn1cc(CC[NH+]2CCCC3(CCC[N@@H+](CCc4cn(C)nn4)C3)C2)nn1 ZINC000625434044 492782339 /nfs/dbraw/zinc/78/23/39/492782339.db2.gz ASVWHECWJJMJML-UHFFFAOYSA-N 2 1 372.521 0.907 50 0 FCAAMP Cn1cc(CC[NH+]2CCCC3(CCC[N@H+](CCc4cn(C)nn4)C3)C2)nn1 ZINC000625434044 492782346 /nfs/dbraw/zinc/78/23/46/492782346.db2.gz ASVWHECWJJMJML-UHFFFAOYSA-N 2 1 372.521 0.907 50 0 FCAAMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)cs1 ZINC000237044095 522299043 /nfs/dbraw/zinc/29/90/43/522299043.db2.gz IDGFZKRALYTBCN-HUUCEWRRSA-N 2 1 352.504 0.757 50 0 FCAAMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cc3c(c(OC)c1)OCO3)[NH2+][C@]2(CO)CCO ZINC000065435663 205350400 /nfs/dbraw/zinc/35/04/00/205350400.db2.gz SLALXRIOFWVPHY-AHMDFLBRSA-N 2 1 364.442 0.750 50 0 FCAAMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cc3c(c(OC)c1)OCO3)[NH2+][C@]2(CO)CCO ZINC000065435663 205350404 /nfs/dbraw/zinc/35/04/04/205350404.db2.gz SLALXRIOFWVPHY-AHMDFLBRSA-N 2 1 364.442 0.750 50 0 FCAAMP Cc1ccc(C2(C[N@H+]3CCCN([C@H]4COC[C@@H]4O)CC3)CC[NH2+]CC2)nc1 ZINC000065465315 205354291 /nfs/dbraw/zinc/35/42/91/205354291.db2.gz ANAUSLJFSOOOKZ-OALUTQOASA-N 2 1 374.529 0.779 50 0 FCAAMP O=C([C@H]1COCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000238011863 132248781 /nfs/dbraw/zinc/24/87/81/132248781.db2.gz ISEYPWCWDZXKSH-ZWKOTPCHSA-N 2 1 373.501 0.431 50 0 FCAAMP Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc[nH+]1 ZINC000071762974 136140716 /nfs/dbraw/zinc/14/07/16/136140716.db2.gz UJKDBJFLCGNLEL-OAHLLOKOSA-N 2 1 374.489 0.598 50 0 FCAAMP Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)nc[nH+]1 ZINC000071762974 136140717 /nfs/dbraw/zinc/14/07/17/136140717.db2.gz UJKDBJFLCGNLEL-OAHLLOKOSA-N 2 1 374.489 0.598 50 0 FCAAMP OCC[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[N@@H+]1Cc1ccoc1 ZINC000072480811 136149766 /nfs/dbraw/zinc/14/97/66/136149766.db2.gz AWAFDWJOIIKDQH-INIZCTEOSA-N 2 1 357.458 0.831 50 0 FCAAMP OCC[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[N@H+]1Cc1ccoc1 ZINC000072480811 136149767 /nfs/dbraw/zinc/14/97/67/136149767.db2.gz AWAFDWJOIIKDQH-INIZCTEOSA-N 2 1 357.458 0.831 50 0 FCAAMP CC1(C)CC(Nc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC(C)(C)[NH2+]1 ZINC000426701340 263660053 /nfs/dbraw/zinc/66/00/53/263660053.db2.gz CHLMPIDTJCNGOD-CYBMUJFWSA-N 2 1 363.506 0.950 50 0 FCAAMP O=C(NC1CC1)[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000072173687 488379342 /nfs/dbraw/zinc/37/93/42/488379342.db2.gz VATUGOFQFPZGDQ-GOSISDBHSA-N 2 1 356.470 0.975 50 0 FCAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCc1ccccc1-n1cncn1)CC[NH2+]CC2 ZINC000072475525 488381798 /nfs/dbraw/zinc/38/17/98/488381798.db2.gz GLABUUSWFCELMT-KRWDZBQOSA-N 2 1 354.458 0.957 50 0 FCAAMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)C1COC1 ZINC000330221133 489081197 /nfs/dbraw/zinc/08/11/97/489081197.db2.gz QWKPWYZQIWMUKB-UHFFFAOYSA-N 2 1 359.536 0.843 50 0 FCAAMP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426382925 489564820 /nfs/dbraw/zinc/56/48/20/489564820.db2.gz OGYPXLKMWISBDO-AWEZNQCLSA-N 2 1 374.489 0.873 50 0 FCAAMP OCCNc1nc(N2CCC([NH+]3CCCC3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426699877 489580322 /nfs/dbraw/zinc/58/03/22/489580322.db2.gz GNIRCBJSMUKBTJ-OAHLLOKOSA-N 2 1 361.490 1.449 50 0 FCAAMP CNc1ncc(CN(C)C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)cn1 ZINC000065489977 205353155 /nfs/dbraw/zinc/35/31/55/205353155.db2.gz ZKSXDQDGLYEYRL-DNVCBOLYSA-N 2 1 358.490 0.941 50 0 FCAAMP NC(=O)[C@H]1CCC[N@@H+](CCNc2ncnc3sc4c(c32)CC[NH2+]C4)C1 ZINC000065535841 205359134 /nfs/dbraw/zinc/35/91/34/205359134.db2.gz GDCJAEVMLFEOFQ-NSHDSACASA-N 2 1 360.487 0.946 50 0 FCAAMP CCCNC(=O)C[NH+]1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000170615760 206274852 /nfs/dbraw/zinc/27/48/52/206274852.db2.gz VECIMMFQPPPGAE-UHFFFAOYSA-N 2 1 350.507 0.968 50 0 FCAAMP C[N@H+]1CCN(c2nc(-c3ccccn3)nc3c2CC[NH2+]C3)C[C@H]1CCO ZINC000106961408 132265943 /nfs/dbraw/zinc/26/59/43/132265943.db2.gz MYICWBCGAXAJQV-CQSZACIVSA-N 2 1 354.458 0.687 50 0 FCAAMP CN1CCC[N@@H+](C)C2(CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)nc(N)n3)CC2)C1 ZINC000244724748 132290648 /nfs/dbraw/zinc/29/06/48/132290648.db2.gz MZZRDADRVZRSMR-GASCZTMLSA-N 2 1 359.522 0.870 50 0 FCAAMP CN1CCC[N@H+](C)CC12CCN(c1cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n1)CC2 ZINC000244724748 132290649 /nfs/dbraw/zinc/29/06/49/132290649.db2.gz MZZRDADRVZRSMR-GASCZTMLSA-N 2 1 359.522 0.870 50 0 FCAAMP CN1CCC[N@@H+](C)CC12CCN(c1cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n1)CC2 ZINC000244724748 132290650 /nfs/dbraw/zinc/29/06/50/132290650.db2.gz MZZRDADRVZRSMR-GASCZTMLSA-N 2 1 359.522 0.870 50 0 FCAAMP C[NH+]1CCN([C@H]2C[N@@H+](C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]2O)CC1 ZINC000067935217 488358406 /nfs/dbraw/zinc/35/84/06/488358406.db2.gz CJXYDMHMZGDFQE-PMACEKPBSA-N 2 1 372.513 0.584 50 0 FCAAMP C[NH+]1CCN([C@H]2C[N@H+](C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]2O)CC1 ZINC000067935217 488358407 /nfs/dbraw/zinc/35/84/07/488358407.db2.gz CJXYDMHMZGDFQE-PMACEKPBSA-N 2 1 372.513 0.584 50 0 FCAAMP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000071752569 488377298 /nfs/dbraw/zinc/37/72/98/488377298.db2.gz FNGVTCLKVIKQDG-QGZVFWFLSA-N 2 1 357.502 0.928 50 0 FCAAMP Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072454704 488381400 /nfs/dbraw/zinc/38/14/00/488381400.db2.gz ZGGHZWCDXYZDNX-QGZVFWFLSA-N 2 1 363.506 0.432 50 0 FCAAMP Cc1[nH+]c(N2CCCC2)nc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1C ZINC000091860879 488471087 /nfs/dbraw/zinc/47/10/87/488471087.db2.gz MLASMHUVBHKUJH-IAGOWNOFSA-N 2 1 363.506 0.662 50 0 FCAAMP Cc1[nH+]c(N2CCCC2)nc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1C ZINC000091860879 488471091 /nfs/dbraw/zinc/47/10/91/488471091.db2.gz MLASMHUVBHKUJH-IAGOWNOFSA-N 2 1 363.506 0.662 50 0 FCAAMP Cc1cc(N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)nc(N(C)C)[nH+]1 ZINC000091873053 488471340 /nfs/dbraw/zinc/47/13/40/488471340.db2.gz DHFWQXSBHAIFTL-IAGOWNOFSA-N 2 1 362.522 0.533 50 0 FCAAMP CC(C)[N@@H+]1CCCN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000952987291 674482254 /nfs/dbraw/zinc/48/22/54/674482254.db2.gz JYLWCBGRUYKDDN-KRWDZBQOSA-N 2 1 371.547 0.828 50 0 FCAAMP CC(C)[N@H+]1CCCN(C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000952987291 674482256 /nfs/dbraw/zinc/48/22/56/674482256.db2.gz JYLWCBGRUYKDDN-KRWDZBQOSA-N 2 1 371.547 0.828 50 0 FCAAMP C[NH+]1CCN([C@H]2COC[C@@H]2[NH2+]C2CCN(C(=O)C3CCC3)CC2)CC1 ZINC001506411656 1264318019 /nfs/dbraw/zinc/31/80/19/1264318019.db2.gz JCRHMNSCLMBWSZ-ROUUACIJSA-N 2 1 350.507 0.382 50 0 FCAAMP COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3cc[nH+]c(N)n3)CC2)C1 ZINC000071764275 136140802 /nfs/dbraw/zinc/14/08/02/136140802.db2.gz WDIBVSXOSZMONE-AWEZNQCLSA-N 2 1 362.478 0.502 50 0 FCAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]c(N)n3)CC2)C1 ZINC000071764275 136140803 /nfs/dbraw/zinc/14/08/03/136140803.db2.gz WDIBVSXOSZMONE-AWEZNQCLSA-N 2 1 362.478 0.502 50 0 FCAAMP [NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@@H+](CCCc3ccccc3)CCN2C1=O ZINC000014753755 487574559 /nfs/dbraw/zinc/57/45/59/487574559.db2.gz GAIQLYDLRUUYOX-ZWKOTPCHSA-N 2 1 358.486 0.759 50 0 FCAAMP [NH3+]CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071747289 488377201 /nfs/dbraw/zinc/37/72/01/488377201.db2.gz ISEIUCLXPPWOSP-MRXNPFEDSA-N 2 1 359.474 0.360 50 0 FCAAMP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@]3(O)CCC[NH2+]CC3)o2)CC1 ZINC000072167650 488379138 /nfs/dbraw/zinc/37/91/38/488379138.db2.gz NHKDMNBIUWSWFP-SFHVURJKSA-N 2 1 350.463 0.261 50 0 FCAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCc1nnc(-c3ccncc3)[nH]1)CC[NH2+]CC2 ZINC000072457794 488381387 /nfs/dbraw/zinc/38/13/87/488381387.db2.gz XLEOQERRSVJYJU-AWEZNQCLSA-N 2 1 355.446 0.557 50 0 FCAAMP C[N@@H+]1CC2(C[C@H]1C(=O)NCc1n[nH]c(-c3ccncc3)n1)CC[NH2+]CC2 ZINC000072457794 488381388 /nfs/dbraw/zinc/38/13/88/488381388.db2.gz XLEOQERRSVJYJU-AWEZNQCLSA-N 2 1 355.446 0.557 50 0 FCAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCc1n[nH]c(-c3ccncc3)n1)CC[NH2+]CC2 ZINC000072457794 488381389 /nfs/dbraw/zinc/38/13/89/488381389.db2.gz XLEOQERRSVJYJU-AWEZNQCLSA-N 2 1 355.446 0.557 50 0 FCAAMP Cn1c2ccc(CNC(=O)[C@@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)cc2n(C)c1=O ZINC000072475764 488381732 /nfs/dbraw/zinc/38/17/32/488381732.db2.gz USJZOKSBPFHUHK-KRWDZBQOSA-N 2 1 371.485 0.567 50 0 FCAAMP Cc1[nH+]cn(CC(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1C ZINC000091876743 488471229 /nfs/dbraw/zinc/47/12/29/488471229.db2.gz ZRLMGSATGPDZSL-LJQANCHMSA-N 2 1 364.490 0.822 50 0 FCAAMP Cc1[nH+]ccn1CCC(=O)N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095370700 488482269 /nfs/dbraw/zinc/48/22/69/488482269.db2.gz FSPZKQCJJPDLPY-CYGHRXIMSA-N 2 1 364.490 0.758 50 0 FCAAMP Cc1[nH+]ccn1CCC(=O)N1C[C@H](CO)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095370700 488482270 /nfs/dbraw/zinc/48/22/70/488482270.db2.gz FSPZKQCJJPDLPY-CYGHRXIMSA-N 2 1 364.490 0.758 50 0 FCAAMP [NH3+]CCCCNC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426434172 489567905 /nfs/dbraw/zinc/56/79/05/489567905.db2.gz WZYJVIGCLCBMET-KGXSXCIVSA-N 2 1 357.502 0.592 50 0 FCAAMP COCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000670468167 493570384 /nfs/dbraw/zinc/57/03/84/493570384.db2.gz RMJZXONEAYLLPL-MRXNPFEDSA-N 2 1 353.507 0.962 50 0 FCAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)C[C@H]3CN(C)CC[NH+]3C)cc2C1 ZINC000082115393 519731886 /nfs/dbraw/zinc/73/18/86/519731886.db2.gz LHUPEXUWAQHDFC-KRWDZBQOSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[NH+]1CCn2nc(CNC(=O)C[C@H]3CN(C)CC[N@@H+]3C)cc2C1 ZINC000082115393 519731887 /nfs/dbraw/zinc/73/18/87/519731887.db2.gz LHUPEXUWAQHDFC-KRWDZBQOSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[NH+]1CCn2nc(CNC(=O)C[C@H]3CN(C)CC[N@H+]3C)cc2C1 ZINC000082115393 519731888 /nfs/dbraw/zinc/73/18/88/519731888.db2.gz LHUPEXUWAQHDFC-KRWDZBQOSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[N@@H+]1CCn2nc(CNC(=O)C[C@H]3C[NH+](C)CCN3C)cc2C1 ZINC000082115393 519731890 /nfs/dbraw/zinc/73/18/90/519731890.db2.gz LHUPEXUWAQHDFC-KRWDZBQOSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)C[C@H]3C[NH+](C)CCN3C)cc2C1 ZINC000082115393 519731891 /nfs/dbraw/zinc/73/18/91/519731891.db2.gz LHUPEXUWAQHDFC-KRWDZBQOSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[NH+]1CCn2nc(CNC(=O)C[C@H]3C[N@H+](C)CCN3C)cc2C1 ZINC000082115393 519731893 /nfs/dbraw/zinc/73/18/93/519731893.db2.gz LHUPEXUWAQHDFC-KRWDZBQOSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[NH+]1CCn2nc(CNC(=O)C[C@H]3C[N@@H+](C)CCN3C)cc2C1 ZINC000082115393 519731895 /nfs/dbraw/zinc/73/18/95/519731895.db2.gz LHUPEXUWAQHDFC-KRWDZBQOSA-N 2 1 362.522 0.607 50 0 FCAAMP C[N@H+](CCC(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000252483633 536303023 /nfs/dbraw/zinc/30/30/23/536303023.db2.gz FGENAIIABTXLFE-MRXNPFEDSA-N 2 1 366.487 0.239 50 0 FCAAMP C[N@@H+](CCC(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000252483633 536303027 /nfs/dbraw/zinc/30/30/27/536303027.db2.gz FGENAIIABTXLFE-MRXNPFEDSA-N 2 1 366.487 0.239 50 0 FCAAMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)cs1 ZINC000237043530 222904654 /nfs/dbraw/zinc/90/46/54/222904654.db2.gz IDGFZKRALYTBCN-CABCVRRESA-N 2 1 352.504 0.757 50 0 FCAAMP Cc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CC[NH+](CCN3CCOCC3)CC2)n1 ZINC000252540159 132293450 /nfs/dbraw/zinc/29/34/50/132293450.db2.gz OUKGDZATPXSJEG-CALCHBBNSA-N 2 1 360.506 0.444 50 0 FCAAMP C[N@H+]1CCN(c2nc(-c3ccccn3)nc3c2CC[NH2+]C3)C[C@@H]1CCO ZINC000072148100 136142626 /nfs/dbraw/zinc/14/26/26/136142626.db2.gz MYICWBCGAXAJQV-AWEZNQCLSA-N 2 1 354.458 0.687 50 0 FCAAMP CCCC[N@H+]1CCn2nc(CNC(=O)CN3CCC[NH+](C)CC3)cc2C1 ZINC000299791839 488874333 /nfs/dbraw/zinc/87/43/33/488874333.db2.gz DOFDOFCYPMDMID-UHFFFAOYSA-N 2 1 362.522 0.753 50 0 FCAAMP CCCC[NH+]1CCn2nc(CNC(=O)CN3CCC[N@H+](C)CC3)cc2C1 ZINC000299791839 488874335 /nfs/dbraw/zinc/87/43/35/488874335.db2.gz DOFDOFCYPMDMID-UHFFFAOYSA-N 2 1 362.522 0.753 50 0 FCAAMP CCCC[NH+]1CCn2nc(CNC(=O)CN3CCC[N@@H+](C)CC3)cc2C1 ZINC000299791839 488874338 /nfs/dbraw/zinc/87/43/38/488874338.db2.gz DOFDOFCYPMDMID-UHFFFAOYSA-N 2 1 362.522 0.753 50 0 FCAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3([NH3+])CCC3)CC2)C1 ZINC000071714551 488377174 /nfs/dbraw/zinc/37/71/74/488377174.db2.gz MKDZLNLYNKXRGJ-HNNXBMFYSA-N 2 1 366.506 0.333 50 0 FCAAMP C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC000072476381 488381726 /nfs/dbraw/zinc/38/17/26/488381726.db2.gz ILKRDOXYURQRBH-DOTOQJQBSA-N 2 1 350.507 0.920 50 0 FCAAMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)CCC1=O ZINC000091391380 488463172 /nfs/dbraw/zinc/46/31/72/488463172.db2.gz HZGLGKSSLVJXJT-IBGZPJMESA-N 2 1 372.513 0.961 50 0 FCAAMP OCc1ccccc1C[NH+]1CCN(c2ncnc3c2CC[NH2+]CC3)CC1 ZINC000072430892 1219332072 /nfs/dbraw/zinc/33/20/72/1219332072.db2.gz GAYUIOSGZGDHIW-UHFFFAOYSA-N 2 1 353.470 0.979 50 0 FCAAMP O=C(NCC1(CO)CCOCC1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065407912 205347677 /nfs/dbraw/zinc/34/76/77/205347677.db2.gz FZIPZKRGDVIHLW-DNVCBOLYSA-N 2 1 351.491 0.356 50 0 FCAAMP Cc1[nH+]ccn1CC1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000067739823 205386828 /nfs/dbraw/zinc/38/68/28/205386828.db2.gz JXLLVYNLPOXYAN-OAHLLOKOSA-N 2 1 357.462 0.993 50 0 FCAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4ncccn4)CC3)C2)CC1 ZINC000071750294 136140085 /nfs/dbraw/zinc/14/00/85/136140085.db2.gz LSGDNJJDFLUFGG-QGZVFWFLSA-N 2 1 372.517 0.931 50 0 FCAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(c4ncccn4)CC3)C2)CC1 ZINC000071750294 136140086 /nfs/dbraw/zinc/14/00/86/136140086.db2.gz LSGDNJJDFLUFGG-QGZVFWFLSA-N 2 1 372.517 0.931 50 0 FCAAMP [NH3+]CCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071752257 488377358 /nfs/dbraw/zinc/37/73/58/488377358.db2.gz MNUVOZGJANZEGK-KRWDZBQOSA-N 2 1 373.501 0.750 50 0 FCAAMP [NH3+]CC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072147256 488378287 /nfs/dbraw/zinc/37/82/87/488378287.db2.gz ZKBMJRRRSMCBFL-INIZCTEOSA-N 2 1 360.458 0.483 50 0 FCAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(CC[NH3+])cc3)C[C@@H]2CO)CC1 ZINC000091468857 488464090 /nfs/dbraw/zinc/46/40/90/488464090.db2.gz JOOIZSKLQZOHMR-NHCUHLMSSA-N 3 1 360.546 0.866 50 0 FCAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc(CC[NH3+])cc3)C[C@@H]2CO)CC1 ZINC000091468857 488464091 /nfs/dbraw/zinc/46/40/91/488464091.db2.gz JOOIZSKLQZOHMR-NHCUHLMSSA-N 3 1 360.546 0.866 50 0 FCAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc(CC[NH3+])cc3)C[C@@H]2CO)CC1 ZINC000091468857 488464095 /nfs/dbraw/zinc/46/40/95/488464095.db2.gz JOOIZSKLQZOHMR-NHCUHLMSSA-N 3 1 360.546 0.866 50 0 FCAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2CO)CC1 ZINC000092106784 488474361 /nfs/dbraw/zinc/47/43/61/488474361.db2.gz UXTGNQXSONTMSH-QZTJIDSGSA-N 2 1 371.489 0.154 50 0 FCAAMP CN(CC[NH+](C)C)C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426443387 489567774 /nfs/dbraw/zinc/56/77/74/489567774.db2.gz NNPLMPVPVTXBOO-MOMVYJMYSA-N 2 1 371.529 0.757 50 0 FCAAMP CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC000584899200 491719037 /nfs/dbraw/zinc/71/90/37/491719037.db2.gz QTWQXGYDSLHKLQ-INIZCTEOSA-N 2 1 354.495 0.108 50 0 FCAAMP C[N@H+](CCC(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000252483632 536303217 /nfs/dbraw/zinc/30/32/17/536303217.db2.gz FGENAIIABTXLFE-INIZCTEOSA-N 2 1 366.487 0.239 50 0 FCAAMP C[N@@H+](CCC(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000252483632 536303221 /nfs/dbraw/zinc/30/32/21/536303221.db2.gz FGENAIIABTXLFE-INIZCTEOSA-N 2 1 366.487 0.239 50 0 FCAAMP OCCC[NH+]1CCc2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2CC1 ZINC000257177316 1196771277 /nfs/dbraw/zinc/77/12/77/1196771277.db2.gz WNEMXQWOTYMLSG-KRWDZBQOSA-N 2 1 356.474 0.903 50 0 FCAAMP C[NH+]1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)CC3)CC1 ZINC000169752202 1196779793 /nfs/dbraw/zinc/77/97/93/1196779793.db2.gz MEPDBOQEXLNYQV-UHFFFAOYSA-N 2 1 354.458 0.518 50 0 FCAAMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1C[NH+](C)C ZINC000169791064 1196784076 /nfs/dbraw/zinc/78/40/76/1196784076.db2.gz VXLBBWMHKYPGNN-QZTJIDSGSA-N 2 1 356.474 0.765 50 0 FCAAMP NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)C1 ZINC000952975009 1206216258 /nfs/dbraw/zinc/21/62/58/1206216258.db2.gz LBBOFIZUAIYAQG-QZTJIDSGSA-N 2 1 373.501 0.922 50 0 FCAAMP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000072145874 1219202872 /nfs/dbraw/zinc/20/28/72/1219202872.db2.gz CPIBIWFQYDIFMX-SFHVURJKSA-N 3 1 357.502 0.848 50 0 FCAAMP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000072145874 1219202877 /nfs/dbraw/zinc/20/28/77/1219202877.db2.gz CPIBIWFQYDIFMX-SFHVURJKSA-N 3 1 357.502 0.848 50 0 FCAAMP C[N@H+](CCC(=O)N1CC[NH+](CC2CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000823668396 836516179 /nfs/dbraw/zinc/51/61/79/836516179.db2.gz AUTDHTOPNVKBOE-INIZCTEOSA-N 2 1 357.520 0.440 50 0 FCAAMP C[N@@H+](CCC(=O)N1CC[NH+](CC2CCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000823668396 836516186 /nfs/dbraw/zinc/51/61/86/836516186.db2.gz AUTDHTOPNVKBOE-INIZCTEOSA-N 2 1 357.520 0.440 50 0 FCAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(OCCO)cc3)C[C@@H]2CO)CC1 ZINC000095391924 529772951 /nfs/dbraw/zinc/77/29/51/529772951.db2.gz GUBACNLAOVVNOZ-RTBURBONSA-N 2 1 363.502 0.345 50 0 FCAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4ncccn4)CC3)C2)CC1 ZINC000071750295 136140225 /nfs/dbraw/zinc/14/02/25/136140225.db2.gz LSGDNJJDFLUFGG-KRWDZBQOSA-N 2 1 372.517 0.931 50 0 FCAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(c4ncccn4)CC3)C2)CC1 ZINC000071750295 136140226 /nfs/dbraw/zinc/14/02/26/136140226.db2.gz LSGDNJJDFLUFGG-KRWDZBQOSA-N 2 1 372.517 0.931 50 0 FCAAMP COCC[N@@H+](C)CCN1CC2(CCN([C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072479536 488381974 /nfs/dbraw/zinc/38/19/74/488381974.db2.gz QPRQBBJZQYSPEK-INIZCTEOSA-N 2 1 354.495 0.603 50 0 FCAAMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000081400284 488442176 /nfs/dbraw/zinc/44/21/76/488442176.db2.gz AKOMDIYWIVKMJC-LJQANCHMSA-N 2 1 361.486 0.980 50 0 FCAAMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000081400284 488442178 /nfs/dbraw/zinc/44/21/78/488442178.db2.gz AKOMDIYWIVKMJC-LJQANCHMSA-N 2 1 361.486 0.980 50 0 FCAAMP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)cs1 ZINC000237043559 488454704 /nfs/dbraw/zinc/45/47/04/488454704.db2.gz IDGFZKRALYTBCN-GJZGRUSLSA-N 2 1 352.504 0.757 50 0 FCAAMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](NC(=O)CNC(N)=O)[C@@H](C(C)C)C1 ZINC000091350658 488462918 /nfs/dbraw/zinc/46/29/18/488462918.db2.gz HMUALRRPSVIOQJ-CABCVRRESA-N 2 1 350.467 0.323 50 0 FCAAMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](NC(=O)CNC(N)=O)[C@@H](C(C)C)C1 ZINC000091350658 488462920 /nfs/dbraw/zinc/46/29/20/488462920.db2.gz HMUALRRPSVIOQJ-CABCVRRESA-N 2 1 350.467 0.323 50 0 FCAAMP COc1cc(=O)n2c(c1C(=O)N1C[C@H]3CC[C@@H]1C[N@@H+](C)C3)CC[NH2+]CC2 ZINC000091893305 488471017 /nfs/dbraw/zinc/47/10/17/488471017.db2.gz VRWGTDWMQRCIIE-UONOGXRCSA-N 2 1 360.458 0.169 50 0 FCAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc4nonc43)C[C@@H]2CO)CC1 ZINC000095387483 488483362 /nfs/dbraw/zinc/48/33/62/488483362.db2.gz FPRXVJVWHIMLIW-IAGOWNOFSA-N 2 1 359.474 0.901 50 0 FCAAMP COCCN1CC[C@]2(CN(c3cc(C)[nH+]c(N)n3)CC[N@H+]2C)CCC1=O ZINC000095367404 536879819 /nfs/dbraw/zinc/87/98/19/536879819.db2.gz GYNSJNHICMAUNF-SFHVURJKSA-N 2 1 362.478 0.517 50 0 FCAAMP O=C(C[N@@H+]1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1)N1CC[NH2+]CC1 ZINC001704358379 1286234674 /nfs/dbraw/zinc/23/46/74/1286234674.db2.gz JGHYOZHGUSLCCF-APWZRJJASA-N 2 1 354.454 0.502 50 0 FCAAMP C[N@H+]1CCCN(CC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000823778385 836518185 /nfs/dbraw/zinc/51/81/85/836518185.db2.gz SCLQNQXRBPMFOA-SFHVURJKSA-N 2 1 352.523 0.727 50 0 FCAAMP [NH3+]CCc1cc(N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)ncn1 ZINC000106688885 209274421 /nfs/dbraw/zinc/27/44/21/209274421.db2.gz PEPCACIAGIMAMM-ZWVUXNTGSA-N 2 1 364.497 0.957 50 0 FCAAMP Cc1c(NC(=O)C[NH+](C)C)cccc1NC(=O)NC[C@@]1(O)CCC[NH2+]C1 ZINC000097831213 209198633 /nfs/dbraw/zinc/19/86/33/209198633.db2.gz RYRDNRCRZFFECK-GOSISDBHSA-N 2 1 363.462 0.731 50 0 FCAAMP Cc1[nH+]c(N)nc(N2CCC([NH2+]CCN3CCOCC3)CC2)c1Cl ZINC000095513250 132213472 /nfs/dbraw/zinc/21/34/72/132213472.db2.gz QNHVDLIHAACRKQ-UHFFFAOYSA-N 2 1 354.886 0.911 50 0 FCAAMP COCCN1CC[C@@]2(CN(c3cc(C)[nH+]c(N)n3)CC[N@H+]2C)CCC1=O ZINC000108016704 132242701 /nfs/dbraw/zinc/24/27/01/132242701.db2.gz GYNSJNHICMAUNF-GOSISDBHSA-N 2 1 362.478 0.517 50 0 FCAAMP C[N@H+]1CC2(C[C@@H]1C(=O)N1CCN(c3ccccc3)C(=O)C1)CC[NH2+]CC2 ZINC000072424296 136146274 /nfs/dbraw/zinc/14/62/74/136146274.db2.gz NWICKJYRVYJMEF-QGZVFWFLSA-N 2 1 356.470 0.936 50 0 FCAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[N@H+](C)[C@H](CCO)C3)cnn2c1 ZINC000067713800 488355251 /nfs/dbraw/zinc/35/52/51/488355251.db2.gz RFPZTNRBVVADOI-MRXNPFEDSA-N 2 1 374.489 0.710 50 0 FCAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[N@@H+](C)[C@H](CCO)C3)cnn2c1 ZINC000067713800 488355253 /nfs/dbraw/zinc/35/52/53/488355253.db2.gz RFPZTNRBVVADOI-MRXNPFEDSA-N 2 1 374.489 0.710 50 0 FCAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[N@H+](C)[C@@H](CCO)C3)cnn2c1 ZINC000067713801 488355287 /nfs/dbraw/zinc/35/52/87/488355287.db2.gz RFPZTNRBVVADOI-INIZCTEOSA-N 2 1 374.489 0.710 50 0 FCAAMP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[N@@H+](C)[C@@H](CCO)C3)cnn2c1 ZINC000067713801 488355289 /nfs/dbraw/zinc/35/52/89/488355289.db2.gz RFPZTNRBVVADOI-INIZCTEOSA-N 2 1 374.489 0.710 50 0 FCAAMP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000071712248 488377087 /nfs/dbraw/zinc/37/70/87/488377087.db2.gz UGUQSSMLRNQKKD-QGZVFWFLSA-N 2 1 357.502 0.928 50 0 FCAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N[C@@H]2C[NH2+]C[C@H]2O)nc1 ZINC000071415540 488377194 /nfs/dbraw/zinc/37/71/94/488377194.db2.gz FSKXRPILTXJWHN-HZPDHXFCSA-N 2 1 372.473 0.966 50 0 FCAAMP [NH3+]CCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071776003 488377415 /nfs/dbraw/zinc/37/74/15/488377415.db2.gz VCIGYETUELKGCM-INIZCTEOSA-N 2 1 373.501 0.750 50 0 FCAAMP O=C([C@H]1CN(C2CC[NH+](Cc3cccnc3)CC2)CC[NH2+]1)N1CCCC1 ZINC000072168250 488379021 /nfs/dbraw/zinc/37/90/21/488379021.db2.gz CACVVUTZBASEHK-LJQANCHMSA-N 2 1 357.502 0.942 50 0 FCAAMP O=C(NC1CC1)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000072173688 488379206 /nfs/dbraw/zinc/37/92/06/488379206.db2.gz VATUGOFQFPZGDQ-SFHVURJKSA-N 2 1 356.470 0.975 50 0 FCAAMP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)(c2ccccc2)CC1 ZINC000091452646 523763764 /nfs/dbraw/zinc/76/37/64/523763764.db2.gz CXFLNZVCEURKOT-QGZVFWFLSA-N 2 1 372.513 0.964 50 0 FCAAMP CC(C)C[N@H+]1CCN(c2nc(N(C)C)nc3c2CC[NH2+]C3)C[C@H]1CCO ZINC000106741137 535107877 /nfs/dbraw/zinc/10/78/77/535107877.db2.gz FGOSSZFAQNKNMM-OAHLLOKOSA-N 2 1 362.522 0.717 50 0 FCAAMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237960660 132248860 /nfs/dbraw/zinc/24/88/60/132248860.db2.gz ISEYPWCWDZXKSH-ROUUACIJSA-N 2 1 373.501 0.431 50 0 FCAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)C1 ZINC000065534012 488318966 /nfs/dbraw/zinc/31/89/66/488318966.db2.gz PQZNLFFFGSSGSO-IIBYNOLFSA-N 2 1 368.481 0.718 50 0 FCAAMP NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071422223 488377186 /nfs/dbraw/zinc/37/71/86/488377186.db2.gz GWVFXIYIPBDJMM-INIZCTEOSA-N 2 1 373.501 0.750 50 0 FCAAMP NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071422223 488377187 /nfs/dbraw/zinc/37/71/87/488377187.db2.gz GWVFXIYIPBDJMM-INIZCTEOSA-N 2 1 373.501 0.750 50 0 FCAAMP NC(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071774613 488377253 /nfs/dbraw/zinc/37/72/53/488377253.db2.gz DBCZXBWQUPWMBH-QGZVFWFLSA-N 2 1 358.486 0.965 50 0 FCAAMP NC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071774613 488377254 /nfs/dbraw/zinc/37/72/54/488377254.db2.gz DBCZXBWQUPWMBH-QGZVFWFLSA-N 2 1 358.486 0.965 50 0 FCAAMP Cn1ccnc1CN1CCN(C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072426317 488380577 /nfs/dbraw/zinc/38/05/77/488380577.db2.gz WOWVCDMSKZUGBE-INIZCTEOSA-N 2 1 360.506 0.138 50 0 FCAAMP CCn1cc(CN(CCOC)C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)cn1 ZINC000072447779 488381161 /nfs/dbraw/zinc/38/11/61/488381161.db2.gz DWVGZXOYTGBSRP-QGZVFWFLSA-N 2 1 363.506 0.952 50 0 FCAAMP CCC[N@@H+](C)Cc1cc2n(n1)CCCN(C(=O)c1cn(CC[NH3+])nn1)C2 ZINC000072469392 488381591 /nfs/dbraw/zinc/38/15/91/488381591.db2.gz LIMJCYMIRUDRQM-UHFFFAOYSA-N 2 1 360.466 0.321 50 0 FCAAMP C[N@H+]1CC2(C[C@@H]1C(=O)N1CCC(O)(c3cccnc3)CC1)CC[NH2+]CC2 ZINC000072475972 488381715 /nfs/dbraw/zinc/38/17/15/488381715.db2.gz SPPIKPSMOHXXNW-QGZVFWFLSA-N 2 1 358.486 0.966 50 0 FCAAMP C[NH+]1CCN(CCOc2ccccc2C[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000216225919 488441303 /nfs/dbraw/zinc/44/13/03/488441303.db2.gz YHCOWDNWIWKKLH-FQEVSTJZSA-N 2 1 363.502 0.632 50 0 FCAAMP COCC[NH+]1CCC(C[N@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1 ZINC000244899880 488463025 /nfs/dbraw/zinc/46/30/25/488463025.db2.gz ZSDVXKLXRFZXMA-WKILWMFISA-N 3 1 350.511 0.810 50 0 FCAAMP COCC[NH+]1CCC(C[N@@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1 ZINC000244899880 488463028 /nfs/dbraw/zinc/46/30/28/488463028.db2.gz ZSDVXKLXRFZXMA-WKILWMFISA-N 3 1 350.511 0.810 50 0 FCAAMP COCCC[N@@H+]1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082109345 523304602 /nfs/dbraw/zinc/30/46/02/523304602.db2.gz QJQJLXMUMTXEAN-UHFFFAOYSA-N 2 1 363.506 0.832 50 0 FCAAMP COCCC[N@H+]1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC000082109345 523304610 /nfs/dbraw/zinc/30/46/10/523304610.db2.gz QJQJLXMUMTXEAN-UHFFFAOYSA-N 2 1 363.506 0.832 50 0 FCAAMP OCCC[NH+]1CCc2nnc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2CC1 ZINC000257177318 1196771546 /nfs/dbraw/zinc/77/15/46/1196771546.db2.gz WNEMXQWOTYMLSG-QGZVFWFLSA-N 2 1 356.474 0.903 50 0 FCAAMP CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952874244 1206212469 /nfs/dbraw/zinc/21/24/69/1206212469.db2.gz YYNOQCWFOYBACZ-SFHVURJKSA-N 2 1 366.550 0.852 50 0 FCAAMP C[N@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](C1CCOCC1)CC2 ZINC000581802741 836088182 /nfs/dbraw/zinc/08/81/82/836088182.db2.gz NKIYWXVBRXMRGV-KRWDZBQOSA-N 2 1 351.491 0.811 50 0 FCAAMP C[N@H+](CCC(=O)N1CC[NH+](CC2CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000823668399 836516237 /nfs/dbraw/zinc/51/62/37/836516237.db2.gz AUTDHTOPNVKBOE-MRXNPFEDSA-N 2 1 357.520 0.440 50 0 FCAAMP C[N@@H+](CCC(=O)N1CC[NH+](CC2CCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000823668399 836516245 /nfs/dbraw/zinc/51/62/45/836516245.db2.gz AUTDHTOPNVKBOE-MRXNPFEDSA-N 2 1 357.520 0.440 50 0 FCAAMP C[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368070624 216199507 /nfs/dbraw/zinc/19/95/07/216199507.db2.gz DBPOALMJXJEJPH-MRXNPFEDSA-N 2 1 369.473 0.516 50 0 FCAAMP C[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368070624 216199513 /nfs/dbraw/zinc/19/95/13/216199513.db2.gz DBPOALMJXJEJPH-MRXNPFEDSA-N 2 1 369.473 0.516 50 0 FCAAMP O=C(NCCC[NH+]1CCOCC1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011934522 207331190 /nfs/dbraw/zinc/33/11/90/207331190.db2.gz UOQDONXRCCMAEN-UHFFFAOYSA-N 2 1 350.467 0.216 50 0 FCAAMP CSc1nc(N2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)cc(N)[nH+]1 ZINC000095360622 209027922 /nfs/dbraw/zinc/02/79/22/209027922.db2.gz MIZVAXYDQKOYAP-VXGBXAGGSA-N 2 1 353.492 0.282 50 0 FCAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCc1nnc(-c3ccncc3)[nH]1)CC[NH2+]CC2 ZINC000072457791 488381422 /nfs/dbraw/zinc/38/14/22/488381422.db2.gz XLEOQERRSVJYJU-CQSZACIVSA-N 2 1 355.446 0.557 50 0 FCAAMP C[N@@H+]1CC2(C[C@@H]1C(=O)NCc1n[nH]c(-c3ccncc3)n1)CC[NH2+]CC2 ZINC000072457791 488381423 /nfs/dbraw/zinc/38/14/23/488381423.db2.gz XLEOQERRSVJYJU-CQSZACIVSA-N 2 1 355.446 0.557 50 0 FCAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCc1n[nH]c(-c3ccncc3)n1)CC[NH2+]CC2 ZINC000072457791 488381424 /nfs/dbraw/zinc/38/14/24/488381424.db2.gz XLEOQERRSVJYJU-CQSZACIVSA-N 2 1 355.446 0.557 50 0 FCAAMP CN1CCC([N@@H+]2CCC[C@H]2C(=O)NCc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000082097881 488445566 /nfs/dbraw/zinc/44/55/66/488445566.db2.gz MZBHANGBFJRCLH-SFHVURJKSA-N 2 1 360.506 0.551 50 0 FCAAMP CN1CCC([N@H+]2CCC[C@H]2C(=O)NCc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000082097881 488445567 /nfs/dbraw/zinc/44/55/67/488445567.db2.gz MZBHANGBFJRCLH-SFHVURJKSA-N 2 1 360.506 0.551 50 0 FCAAMP CNC(=O)C1([NH2+]Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCOC)CCCCC1 ZINC000244796122 488462483 /nfs/dbraw/zinc/46/24/83/488462483.db2.gz RTHPVNZPWBDLPQ-OKILXGFUSA-N 2 1 364.494 0.668 50 0 FCAAMP COc1cccc(C(=O)N2CCN3CC[N@@H+](C)C[C@H]3C2)c1OCCC[NH3+] ZINC000426525989 489573196 /nfs/dbraw/zinc/57/31/96/489573196.db2.gz FJQBPTWTWMKWKE-HNNXBMFYSA-N 2 1 362.474 0.495 50 0 FCAAMP CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCC(=O)N(CC[NH+](C)C)CC2)C1 ZINC000584899201 491718953 /nfs/dbraw/zinc/71/89/53/491718953.db2.gz QTWQXGYDSLHKLQ-MRXNPFEDSA-N 2 1 354.495 0.108 50 0 FCAAMP C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC000091546959 521822069 /nfs/dbraw/zinc/82/20/69/521822069.db2.gz UIJDYSUHGXBHAC-INIZCTEOSA-N 2 1 359.478 0.444 50 0 FCAAMP C1CCC(c2nc3c(c(N4CCO[C@]5(C4)C[NH2+]CCOC5)n2)C[NH2+]C3)C1 ZINC000072163286 1219213973 /nfs/dbraw/zinc/21/39/73/1219213973.db2.gz LPJMMBNEDDPNQJ-IBGZPJMESA-N 2 1 359.474 0.933 50 0 FCAAMP Cn1c(CN2CCN(C)CC2)nnc1C1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102410728 209235547 /nfs/dbraw/zinc/23/55/47/209235547.db2.gz WVLUQTPHCCRTOT-PIIMJCKOSA-N 2 1 373.549 0.207 50 0 FCAAMP c1ccc(OCCN2CCOCC2)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097436768 209181977 /nfs/dbraw/zinc/18/19/77/209181977.db2.gz XYTWHXBMSFEXDT-FQEVSTJZSA-N 2 1 374.529 0.877 50 0 FCAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(N(C)C)nc3)C[C@@H]2CO)CC1 ZINC000095352477 209022295 /nfs/dbraw/zinc/02/22/95/209022295.db2.gz DWCVGCUJKMVNAM-RTBURBONSA-N 2 1 361.534 0.825 50 0 FCAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@@H]2CO)CC1 ZINC000095371261 209035019 /nfs/dbraw/zinc/03/50/19/209035019.db2.gz WMICRKUPZUITEL-HZPDHXFCSA-N 2 1 361.515 0.979 50 0 FCAAMP COc1cc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000095383129 209041787 /nfs/dbraw/zinc/04/17/87/209041787.db2.gz CWLWYCKNSSTORI-QZTJIDSGSA-N 2 1 363.502 0.992 50 0 FCAAMP [NH3+]CCc1cc(N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)ncn1 ZINC000067562623 488352799 /nfs/dbraw/zinc/35/27/99/488352799.db2.gz PEPCACIAGIMAMM-WJAMPBCPSA-N 2 1 364.497 0.957 50 0 FCAAMP [NH3+]CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071765549 488377290 /nfs/dbraw/zinc/37/72/90/488377290.db2.gz NDIWOEKCFBVAHL-OAHLLOKOSA-N 2 1 359.474 0.360 50 0 FCAAMP C[N@H+]1CC2(C[C@H]1C(=O)N1CCC(Nc3ncccn3)CC1)CC[NH2+]CC2 ZINC000072421833 488380428 /nfs/dbraw/zinc/38/04/28/488380428.db2.gz NPMLAEPLGYGIPA-INIZCTEOSA-N 2 1 358.490 0.953 50 0 FCAAMP COCCc1noc(CN(C)C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)n1 ZINC000072424382 488380667 /nfs/dbraw/zinc/38/06/67/488380667.db2.gz WTBYVIJSZPOOLZ-ZDUSSCGKSA-N 2 1 351.451 0.291 50 0 FCAAMP C[NH+](C)[C@H]1CN(Cc2ccccc2OCCC[NH+]2CCOCC2)C[C@@H]1O ZINC000216344227 488441534 /nfs/dbraw/zinc/44/15/34/488441534.db2.gz AOPTXMCBGCEQBK-OALUTQOASA-N 2 1 363.502 0.894 50 0 FCAAMP O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1)N1CC[NH2+]CC1 ZINC000091693580 488467553 /nfs/dbraw/zinc/46/75/53/488467553.db2.gz UEHKSGSRUFPBPN-ZWKOTPCHSA-N 2 1 356.470 0.541 50 0 FCAAMP C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)C2([NH+]3CCCC3)CCCC2)CC1 ZINC000952971249 674481852 /nfs/dbraw/zinc/48/18/52/674481852.db2.gz RTXCXXZFCGGYBO-IRXDYDNUSA-N 2 1 350.507 0.526 50 0 FCAAMP Cc1cnn(CCC(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)c1 ZINC000169791088 1196784547 /nfs/dbraw/zinc/78/45/47/1196784547.db2.gz OGRXZJSZMTYLKE-SJLPKXTDSA-N 2 1 363.506 0.739 50 0 FCAAMP Cc1cnn(CCC(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)c1 ZINC000169791088 1196784551 /nfs/dbraw/zinc/78/45/51/1196784551.db2.gz OGRXZJSZMTYLKE-SJLPKXTDSA-N 2 1 363.506 0.739 50 0 FCAAMP c1ccc(OCCN2CCOCC2)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097436767 209181759 /nfs/dbraw/zinc/18/17/59/209181759.db2.gz XYTWHXBMSFEXDT-HXUWFJFHSA-N 2 1 374.529 0.877 50 0 FCAAMP Cc1cccc(N2CCN(C(=O)CN3C[C@@H]4CC[C@H](CC3=O)[NH2+]4)CC2)[nH+]1 ZINC000095525633 132214689 /nfs/dbraw/zinc/21/46/89/132214689.db2.gz PELBJAYUVNJROT-CVEARBPZSA-N 2 1 357.458 0.392 50 0 FCAAMP Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc[nH+]1 ZINC000071762973 136140690 /nfs/dbraw/zinc/14/06/90/136140690.db2.gz UJKDBJFLCGNLEL-HNNXBMFYSA-N 2 1 374.489 0.598 50 0 FCAAMP Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc[nH+]1 ZINC000071762973 136140691 /nfs/dbraw/zinc/14/06/91/136140691.db2.gz UJKDBJFLCGNLEL-HNNXBMFYSA-N 2 1 374.489 0.598 50 0 FCAAMP CC[NH+]1CCN(C(=O)CCSCCC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000023379387 487635624 /nfs/dbraw/zinc/63/56/24/487635624.db2.gz INHAABNWNNPCPF-UHFFFAOYSA-N 2 1 370.563 0.828 50 0 FCAAMP O=C(CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2)Nc1nccs1 ZINC000065374008 488317014 /nfs/dbraw/zinc/31/70/14/488317014.db2.gz PTFUMEKLKJBUNZ-SJKOYZFVSA-N 2 1 363.487 0.662 50 0 FCAAMP O=C(NCCCN1CCOCC1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065468366 488318279 /nfs/dbraw/zinc/31/82/79/488318279.db2.gz QNMJNBMDHXDPBH-VQIMIIECSA-N 2 1 350.507 0.289 50 0 FCAAMP O=C(NCCC[NH+]1CCOCC1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065468366 488318281 /nfs/dbraw/zinc/31/82/81/488318281.db2.gz QNMJNBMDHXDPBH-VQIMIIECSA-N 3 1 350.507 0.289 50 0 FCAAMP O=C(NCCC[NH+]1CCOCC1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065468366 488318283 /nfs/dbraw/zinc/31/82/83/488318283.db2.gz QNMJNBMDHXDPBH-VQIMIIECSA-N 3 1 350.507 0.289 50 0 FCAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3([NH3+])CCC3)CC2)C1 ZINC000071714548 488377063 /nfs/dbraw/zinc/37/70/63/488377063.db2.gz MKDZLNLYNKXRGJ-OAHLLOKOSA-N 2 1 366.506 0.333 50 0 FCAAMP [NH3+]CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071765550 488377315 /nfs/dbraw/zinc/37/73/15/488377315.db2.gz NDIWOEKCFBVAHL-HNNXBMFYSA-N 2 1 359.474 0.360 50 0 FCAAMP [NH3+]CCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071752256 488377321 /nfs/dbraw/zinc/37/73/21/488377321.db2.gz MNUVOZGJANZEGK-QGZVFWFLSA-N 2 1 373.501 0.750 50 0 FCAAMP [NH3+]CCN1C(=O)CC[C@H]2C[N@H+](CCn3c4ccccc4oc3=O)CC[C@H]21 ZINC000072418501 488380238 /nfs/dbraw/zinc/38/02/38/488380238.db2.gz YPRPOOWCXZWYQG-LSDHHAIUSA-N 2 1 358.442 0.866 50 0 FCAAMP Cn1c(CN2CCC3(CC2)C[N@@H+](C)CCCN3C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244866658 488462251 /nfs/dbraw/zinc/46/22/51/488462251.db2.gz WADSDQKYNGEZMM-IYBDPMFKSA-N 2 1 361.538 0.622 50 0 FCAAMP Cn1c(C[NH+]2CCC3(CC2)C[N@H+](C)CCCN3C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244866658 488462254 /nfs/dbraw/zinc/46/22/54/488462254.db2.gz WADSDQKYNGEZMM-IYBDPMFKSA-N 3 1 361.538 0.622 50 0 FCAAMP Cn1c(C[NH+]2CCC3(CC2)C[N@@H+](C)CCCN3C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244866658 488462257 /nfs/dbraw/zinc/46/22/57/488462257.db2.gz WADSDQKYNGEZMM-IYBDPMFKSA-N 3 1 361.538 0.622 50 0 FCAAMP Cn1c(C[NH2+]CCn2ncc3ccccc3c2=O)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252539674 488518885 /nfs/dbraw/zinc/51/88/85/488518885.db2.gz OHSPITBPBIOAEU-OKILXGFUSA-N 2 1 353.430 0.520 50 0 FCAAMP OCCNc1nc(N2CCN(c3cc[nH+]cc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426493333 489570872 /nfs/dbraw/zinc/57/08/72/489570872.db2.gz XIIAXXUOSRSPIY-HNNXBMFYSA-N 2 1 370.457 1.106 50 0 FCAAMP C[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368070623 216199646 /nfs/dbraw/zinc/19/96/46/216199646.db2.gz DBPOALMJXJEJPH-INIZCTEOSA-N 2 1 369.473 0.516 50 0 FCAAMP C[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368070623 216199649 /nfs/dbraw/zinc/19/96/49/216199649.db2.gz DBPOALMJXJEJPH-INIZCTEOSA-N 2 1 369.473 0.516 50 0 FCAAMP O=C(NCCN1CCCOC1=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000096136117 209116692 /nfs/dbraw/zinc/11/66/92/209116692.db2.gz ZUVKEUGISMHNEW-YLJYHZDGSA-N 2 1 372.469 0.667 50 0 FCAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000299738418 208324349 /nfs/dbraw/zinc/32/43/49/208324349.db2.gz AOCDYZIKEIVLPI-FGTMMUONSA-N 2 1 352.523 0.772 50 0 FCAAMP Cc1[nH+]cn(CC(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1C ZINC000091876742 209001828 /nfs/dbraw/zinc/00/18/28/209001828.db2.gz ZRLMGSATGPDZSL-IBGZPJMESA-N 2 1 364.490 0.822 50 0 FCAAMP Nc1cc[nH+]c(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299760692 488871908 /nfs/dbraw/zinc/87/19/08/488871908.db2.gz JHQMIHSPRZKSAZ-INIZCTEOSA-N 2 1 374.489 0.820 50 0 FCAAMP Cc1ccc[nH+]c1N1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000065398806 488317702 /nfs/dbraw/zinc/31/77/02/488317702.db2.gz NCHZRNGEZCNKSG-MRXNPFEDSA-N 2 1 369.473 0.944 50 0 FCAAMP Cn1cnnc1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000065502333 488318223 /nfs/dbraw/zinc/31/82/23/488318223.db2.gz UBCLBHWPMGMHIR-VQIMIIECSA-N 2 1 354.458 0.195 50 0 FCAAMP C[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163296 488378780 /nfs/dbraw/zinc/37/87/80/488378780.db2.gz CLMTYAYYTNJRGY-KRWDZBQOSA-N 2 1 374.485 0.743 50 0 FCAAMP COCC[N@@H+](C)CCN1CC2(CC[NH+](C3CC[NH2+]CC3)CC2)OC1=O ZINC000072478332 488381789 /nfs/dbraw/zinc/38/17/89/488381789.db2.gz LUZCOPDQRWKGBA-UHFFFAOYSA-N 3 1 354.495 0.603 50 0 FCAAMP COCC[N@H+](C)CCN1CC2(CCN(C3CC[NH2+]CC3)CC2)OC1=O ZINC000072478332 488381790 /nfs/dbraw/zinc/38/17/90/488381790.db2.gz LUZCOPDQRWKGBA-UHFFFAOYSA-N 2 1 354.495 0.603 50 0 FCAAMP COCC[N@@H+](C)CCN1CC2(CCN(C3CC[NH2+]CC3)CC2)OC1=O ZINC000072478332 488381791 /nfs/dbraw/zinc/38/17/91/488381791.db2.gz LUZCOPDQRWKGBA-UHFFFAOYSA-N 2 1 354.495 0.603 50 0 FCAAMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000091289569 488462851 /nfs/dbraw/zinc/46/28/51/488462851.db2.gz TXBJWYJUKYBSFU-KRWDZBQOSA-N 2 1 373.501 0.531 50 0 FCAAMP OC1CN(c2nc(NCCCC[NH+]3CCCC3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426518288 489572357 /nfs/dbraw/zinc/57/23/57/489572357.db2.gz IGQJAERWANJZRW-HNNXBMFYSA-N 2 1 361.490 1.449 50 0 FCAAMP OCCNc1nc(N2CCC([NH+]3CCCC3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426699876 489580301 /nfs/dbraw/zinc/58/03/01/489580301.db2.gz GNIRCBJSMUKBTJ-HNNXBMFYSA-N 2 1 361.490 1.449 50 0 FCAAMP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000082100265 526864258 /nfs/dbraw/zinc/86/42/58/526864258.db2.gz GLSBAUVFYVUXFP-UHFFFAOYSA-N 2 1 369.473 0.946 50 0 FCAAMP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000082100265 526864262 /nfs/dbraw/zinc/86/42/62/526864262.db2.gz GLSBAUVFYVUXFP-UHFFFAOYSA-N 2 1 369.473 0.946 50 0 FCAAMP C[NH+](C)CCN1CCN(c2nc(N3CCC[C@@H](O)C3)cc[nH+]2)CCC1=O ZINC001506398445 1264318627 /nfs/dbraw/zinc/31/86/27/1264318627.db2.gz NBSRIIURAYKNEF-OAHLLOKOSA-N 2 1 362.478 0.038 50 0 FCAAMP O=C(NCCc1cc(=O)[nH]cn1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000096153969 229160046 /nfs/dbraw/zinc/16/00/46/229160046.db2.gz TUCDZUOMYYILBM-OXQOHEQNSA-N 2 1 367.453 0.563 50 0 FCAAMP NC(=O)[C@@H]1CCC[N@@H+](CCNc2ncnc3sc4c(c32)CC[NH2+]C4)C1 ZINC000065535844 488319284 /nfs/dbraw/zinc/31/92/84/488319284.db2.gz GDCJAEVMLFEOFQ-LLVKDONJSA-N 2 1 360.487 0.946 50 0 FCAAMP CS(=O)(=O)c1cnc(NCC[NH+]2CCCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000072422938 488380356 /nfs/dbraw/zinc/38/03/56/488380356.db2.gz MOYLCGSNGMFGCY-ZDUSSCGKSA-N 2 1 353.492 0.855 50 0 FCAAMP COCC[N@@H+](C)CCN1CC2(CCN(C(=O)C(C)(C)[NH3+])CC2)OC1=O ZINC000077469966 488413964 /nfs/dbraw/zinc/41/39/64/488413964.db2.gz FAYAFQUOPCBVAV-UHFFFAOYSA-N 2 1 356.467 0.115 50 0 FCAAMP O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000091782162 488469406 /nfs/dbraw/zinc/46/94/06/488469406.db2.gz CNLPBOKUZMSDRD-OAHLLOKOSA-N 2 1 366.487 0.152 50 0 FCAAMP C[NH+](C)CCN1C[C@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)CCC1=O ZINC000091391379 521773795 /nfs/dbraw/zinc/77/37/95/521773795.db2.gz HZGLGKSSLVJXJT-LJQANCHMSA-N 2 1 372.513 0.961 50 0 FCAAMP Cc1nnc([C@H]2CC[N@H+](C3CCSCC3)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169782920 666586228 /nfs/dbraw/zinc/58/62/28/666586228.db2.gz RQBFRWTVUFYOHA-LSDHHAIUSA-N 2 1 366.535 0.844 50 0 FCAAMP Cc1nnc([C@H]2CC[N@@H+](C3CCSCC3)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169782920 666586230 /nfs/dbraw/zinc/58/62/30/666586230.db2.gz RQBFRWTVUFYOHA-LSDHHAIUSA-N 2 1 366.535 0.844 50 0 FCAAMP CSc1nc(N2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc(N)[nH+]1 ZINC000095355806 209024265 /nfs/dbraw/zinc/02/42/65/209024265.db2.gz SMWDWDBGSISITH-ZIAGYGMSSA-N 2 1 367.519 0.530 50 0 FCAAMP OCC[NH+]1CCN(c2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)CC1 ZINC000072432721 136146937 /nfs/dbraw/zinc/14/69/37/136146937.db2.gz UEKUZDIOODSQKX-UHFFFAOYSA-N 2 1 354.458 0.341 50 0 FCAAMP COc1ccc(F)c(CN2CCC[C@](O)(C[N@@H+]3CCC[NH2+]CC3)C2=O)c1 ZINC000067805335 488356225 /nfs/dbraw/zinc/35/62/25/488356225.db2.gz ORRMALYBBOPPJD-IBGZPJMESA-N 2 1 365.449 0.983 50 0 FCAAMP COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+]3CCC[NH2+]CC3)C2=O)c1 ZINC000067805335 488356226 /nfs/dbraw/zinc/35/62/26/488356226.db2.gz ORRMALYBBOPPJD-IBGZPJMESA-N 2 1 365.449 0.983 50 0 FCAAMP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@]3(O)CCC[NH2+]CC3)o2)CC1 ZINC000072167651 488379091 /nfs/dbraw/zinc/37/90/91/488379091.db2.gz NHKDMNBIUWSWFP-GOSISDBHSA-N 2 1 350.463 0.261 50 0 FCAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000072423054 488380386 /nfs/dbraw/zinc/38/03/86/488380386.db2.gz SYHADOWZVFWNLN-HNNXBMFYSA-N 2 1 362.522 0.703 50 0 FCAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000072423054 488380387 /nfs/dbraw/zinc/38/03/87/488380387.db2.gz SYHADOWZVFWNLN-HNNXBMFYSA-N 2 1 362.522 0.703 50 0 FCAAMP CCn1cc(CN(CCOC)C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)cn1 ZINC000072447778 488381263 /nfs/dbraw/zinc/38/12/63/488381263.db2.gz DWVGZXOYTGBSRP-KRWDZBQOSA-N 2 1 363.506 0.952 50 0 FCAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCc1ccccc1-n1cncn1)CC[NH2+]CC2 ZINC000072475524 488381759 /nfs/dbraw/zinc/38/17/59/488381759.db2.gz GLABUUSWFCELMT-QGZVFWFLSA-N 2 1 354.458 0.957 50 0 FCAAMP [NH3+]CCn1cc(C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)nn1 ZINC000077338168 488410750 /nfs/dbraw/zinc/41/07/50/488410750.db2.gz YCLLQAXTENEXGF-UHFFFAOYSA-N 2 1 372.477 0.512 50 0 FCAAMP COCC[N@@H+](C)CCN1CC2(CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)OC1=O ZINC000077376441 488411534 /nfs/dbraw/zinc/41/15/34/488411534.db2.gz DAKXRSNHNKHPQA-HNNXBMFYSA-N 2 1 368.478 0.130 50 0 FCAAMP C[NH+]1CCN(CCOc2ccccc2C[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000216225867 488441144 /nfs/dbraw/zinc/44/11/44/488441144.db2.gz YHCOWDNWIWKKLH-HXUWFJFHSA-N 2 1 363.502 0.632 50 0 FCAAMP O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000670455264 493569427 /nfs/dbraw/zinc/56/94/27/493569427.db2.gz TZPJJSVQCQGIOY-MRXNPFEDSA-N 2 1 353.507 0.698 50 0 FCAAMP O=C1N(Cc2ccccc2)CCC12CC[NH+](C[C@]1(O)C[NH2+]CCOC1)CC2 ZINC000077323781 1219714582 /nfs/dbraw/zinc/71/45/82/1219714582.db2.gz XSFVDSXJGKJNNH-OAQYLSRUSA-N 2 1 373.497 0.852 50 0 FCAAMP C[NH+]1CCC(O)(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)CC1 ZINC000065370128 221204782 /nfs/dbraw/zinc/20/47/82/221204782.db2.gz AHEQMANVIKZQJB-OXQOHEQNSA-N 3 1 364.534 0.413 50 0 FCAAMP Nc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc[nH+]1 ZINC000071404050 136139095 /nfs/dbraw/zinc/13/90/95/136139095.db2.gz DKWOEPPSKZJBRD-OAHLLOKOSA-N 2 1 374.489 0.598 50 0 FCAAMP Nc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc[nH+]1 ZINC000071404050 136139096 /nfs/dbraw/zinc/13/90/96/136139096.db2.gz DKWOEPPSKZJBRD-OAHLLOKOSA-N 2 1 374.489 0.598 50 0 FCAAMP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCN(Cc2cccnc2)CC1 ZINC000097272358 222171468 /nfs/dbraw/zinc/17/14/68/222171468.db2.gz HTDLCMOTXXWJMB-IBGZPJMESA-N 2 1 357.502 0.942 50 0 FCAAMP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCN(Cc2cccnc2)CC1 ZINC000097272358 222171471 /nfs/dbraw/zinc/17/14/71/222171471.db2.gz HTDLCMOTXXWJMB-IBGZPJMESA-N 2 1 357.502 0.942 50 0 FCAAMP C[N@@H+]1CCCN(c2ncccc2CNC(=O)C[NH+]2CCC[C@@H](O)C2)CC1 ZINC000106730986 222387722 /nfs/dbraw/zinc/38/77/22/222387722.db2.gz FJHXZSBZOCIMLS-QGZVFWFLSA-N 2 1 361.490 0.296 50 0 FCAAMP C[N@H+]1CCCN(c2ncccc2CNC(=O)C[NH+]2CCC[C@@H](O)C2)CC1 ZINC000106730986 222387724 /nfs/dbraw/zinc/38/77/24/222387724.db2.gz FJHXZSBZOCIMLS-QGZVFWFLSA-N 2 1 361.490 0.296 50 0 FCAAMP C[NH+]1CCCN(c2ncccc2CNC(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000106730986 222387727 /nfs/dbraw/zinc/38/77/27/222387727.db2.gz FJHXZSBZOCIMLS-QGZVFWFLSA-N 2 1 361.490 0.296 50 0 FCAAMP C[NH+]1CCCN(c2ncccc2CNC(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000106730986 222387731 /nfs/dbraw/zinc/38/77/31/222387731.db2.gz FJHXZSBZOCIMLS-QGZVFWFLSA-N 2 1 361.490 0.296 50 0 FCAAMP Cc1nn2cc(CCNC(=O)[C@@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)nc2s1 ZINC000072410027 488379987 /nfs/dbraw/zinc/37/99/87/488379987.db2.gz SZUBYBMXKGNARQ-AWEZNQCLSA-N 2 1 362.503 0.832 50 0 FCAAMP O=C1NCCCC[C@@H]1Nc1ncnc2c1CC[N@@H+](C1CC[NH2+]CC1)CC2 ZINC000072408460 488380078 /nfs/dbraw/zinc/38/00/78/488380078.db2.gz SFVUSGNOCBTVGA-KRWDZBQOSA-N 2 1 358.490 0.710 50 0 FCAAMP O=C1NCCCC[C@@H]1Nc1ncnc2c1CC[N@H+](C1CC[NH2+]CC1)CC2 ZINC000072408460 488380079 /nfs/dbraw/zinc/38/00/79/488380079.db2.gz SFVUSGNOCBTVGA-KRWDZBQOSA-N 2 1 358.490 0.710 50 0 FCAAMP CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@](C)(C1)C2 ZINC000216375688 488441701 /nfs/dbraw/zinc/44/17/01/488441701.db2.gz NIFGZRHLKJCDNF-ZYSHUDEJSA-N 2 1 350.507 0.776 50 0 FCAAMP CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@](C)(C1)C2 ZINC000216375688 488441702 /nfs/dbraw/zinc/44/17/02/488441702.db2.gz NIFGZRHLKJCDNF-ZYSHUDEJSA-N 2 1 350.507 0.776 50 0 FCAAMP CC(C)[NH+]1CCNC(=O)[C@@H]1CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@](C)(C1)C2 ZINC000216375688 488441703 /nfs/dbraw/zinc/44/17/03/488441703.db2.gz NIFGZRHLKJCDNF-ZYSHUDEJSA-N 2 1 350.507 0.776 50 0 FCAAMP CC(C)[NH+]1CCNC(=O)[C@@H]1CC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@](C)(C1)C2 ZINC000216375688 488441704 /nfs/dbraw/zinc/44/17/04/488441704.db2.gz NIFGZRHLKJCDNF-ZYSHUDEJSA-N 2 1 350.507 0.776 50 0 FCAAMP O=C(NCc1cc2n(n1)CCC[NH2+]C2)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000082156809 488445989 /nfs/dbraw/zinc/44/59/89/488445989.db2.gz UYCCHVRQMJQGBZ-HNNXBMFYSA-N 2 1 361.490 0.884 50 0 FCAAMP CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1CO ZINC000091663744 488467149 /nfs/dbraw/zinc/46/71/49/488467149.db2.gz FUCVBRDJFZJVNX-QZTJIDSGSA-N 2 1 363.502 0.992 50 0 FCAAMP CN(C)c1nc(N2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c2c([nH+]1)CCCC2 ZINC000091694433 488467808 /nfs/dbraw/zinc/46/78/08/488467808.db2.gz AJZVSWRWNDJFCC-HUUCEWRRSA-N 2 1 363.506 0.390 50 0 FCAAMP CN(C)c1nc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c2c([nH+]1)CCCC2 ZINC000091694433 488467809 /nfs/dbraw/zinc/46/78/09/488467809.db2.gz AJZVSWRWNDJFCC-HUUCEWRRSA-N 2 1 363.506 0.390 50 0 FCAAMP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000426545084 489574253 /nfs/dbraw/zinc/57/42/53/489574253.db2.gz OCOKQEGWOUOLMA-IAGOWNOFSA-N 2 1 350.463 0.685 50 0 FCAAMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000426545084 489574256 /nfs/dbraw/zinc/57/42/56/489574256.db2.gz OCOKQEGWOUOLMA-IAGOWNOFSA-N 2 1 350.463 0.685 50 0 FCAAMP O=C(NCC[N@@H+]1CCCC[C@@H]1CO)C1CC[NH+](C2CCOCC2)CC1 ZINC000670464157 493570310 /nfs/dbraw/zinc/57/03/10/493570310.db2.gz RGQZPDQIIRWKKK-GOSISDBHSA-N 2 1 353.507 0.840 50 0 FCAAMP C[C@@]1(NC(=O)C[N@@H+]2CCc3ccccc3C2)CCOC2(CC[NH2+]CC2)[C@H]1O ZINC001772703180 1181672905 /nfs/dbraw/zinc/67/29/05/1181672905.db2.gz CUDKYFQCYMAZCZ-VQTJNVASSA-N 2 1 373.497 0.823 50 0 FCAAMP C[C@@]1(NC(=O)C[N@H+]2CCc3ccccc3C2)CCOC2(CC[NH2+]CC2)[C@H]1O ZINC001772703180 1181672911 /nfs/dbraw/zinc/67/29/11/1181672911.db2.gz CUDKYFQCYMAZCZ-VQTJNVASSA-N 2 1 373.497 0.823 50 0 FCAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(c4nc[nH]n4)CC3)C2)CC1 ZINC000299758729 1183489183 /nfs/dbraw/zinc/48/91/83/1183489183.db2.gz LIINCRPPNJQHLZ-HNNXBMFYSA-N 2 1 361.494 0.260 50 0 FCAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCN(c4nc[nH]n4)CC3)C2)CC1 ZINC000299758729 1183489187 /nfs/dbraw/zinc/48/91/87/1183489187.db2.gz LIINCRPPNJQHLZ-HNNXBMFYSA-N 2 1 361.494 0.260 50 0 FCAAMP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)cc1C ZINC000014744480 1213908927 /nfs/dbraw/zinc/90/89/27/1213908927.db2.gz YRNCITSYXQDNQY-ZWKOTPCHSA-N 2 1 358.486 0.944 50 0 FCAAMP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)cc1C ZINC000014744480 1213908936 /nfs/dbraw/zinc/90/89/36/1213908936.db2.gz YRNCITSYXQDNQY-ZWKOTPCHSA-N 2 1 358.486 0.944 50 0 FCAAMP C[N@H+]1CCC[C@@H](Nc2nc(NC3CC3)nc3c2CCN(CC[NH3+])CC3)C1 ZINC000072428375 1219331470 /nfs/dbraw/zinc/33/14/70/1219331470.db2.gz VLAOXZYBXJVDME-OAHLLOKOSA-N 2 1 359.522 0.916 50 0 FCAAMP O=C(C[N@H+]1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1)N1CC[NH2+]CC1 ZINC001704303419 1286219674 /nfs/dbraw/zinc/21/96/74/1286219674.db2.gz JGHYOZHGUSLCCF-VQIMIIECSA-N 2 1 354.454 0.502 50 0 FCAAMP CCC[NH+]1CCC(CC(=O)N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)CC1 ZINC000065491241 221225661 /nfs/dbraw/zinc/22/56/61/221225661.db2.gz AUCKNUJTMIIPLG-ROUUACIJSA-N 2 1 353.507 0.793 50 0 FCAAMP CCC[NH+]1CCC(CC(=O)N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)CC1 ZINC000065491241 221225663 /nfs/dbraw/zinc/22/56/63/221225663.db2.gz AUCKNUJTMIIPLG-ROUUACIJSA-N 2 1 353.507 0.793 50 0 FCAAMP Cc1nc(N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)cc(C2CC[NH2+]CC2)n1 ZINC000067868470 221297310 /nfs/dbraw/zinc/29/73/10/221297310.db2.gz PZBUTXUTTXOEBD-ROUUACIJSA-N 2 1 360.506 0.679 50 0 FCAAMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071639233 221353364 /nfs/dbraw/zinc/35/33/64/221353364.db2.gz JLOMSGHLXLXKOX-KRWDZBQOSA-N 2 1 373.501 0.620 50 0 FCAAMP [NH3+]CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000071776740 221375311 /nfs/dbraw/zinc/37/53/11/221375311.db2.gz YLTYMMFIQXAZLV-KRWDZBQOSA-N 2 1 358.486 0.965 50 0 FCAAMP COc1cc(C[N@@H+](C)CCO)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000096167175 222066345 /nfs/dbraw/zinc/06/63/45/222066345.db2.gz QWNYOJVTNJQJIY-INIZCTEOSA-N 2 1 370.515 0.908 50 0 FCAAMP C[NH2+]CCN1C(=O)CC[C@H]2C[N@H+](Cc3cc(=O)n4ccccc4n3)CC[C@H]21 ZINC000072425321 488380638 /nfs/dbraw/zinc/38/06/38/488380638.db2.gz YFQQBWXPXOHNNY-DOTOQJQBSA-N 2 1 369.469 0.727 50 0 FCAAMP CCc1[nH+]ccn1CCC(=O)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077343283 488411200 /nfs/dbraw/zinc/41/12/00/488411200.db2.gz JOCGSVFIBQKUMP-SFHVURJKSA-N 2 1 350.463 0.521 50 0 FCAAMP COCC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000670468166 493570245 /nfs/dbraw/zinc/57/02/45/493570245.db2.gz RMJZXONEAYLLPL-INIZCTEOSA-N 2 1 353.507 0.962 50 0 FCAAMP C[NH+]1CCN([C@H]2COC[C@@H]2[NH2+]C2CCN(C(=O)c3ccncc3)CC2)CC1 ZINC001506420851 1264319448 /nfs/dbraw/zinc/31/94/48/1264319448.db2.gz LGGCSPPWKXSMEQ-OALUTQOASA-N 2 1 373.501 0.291 50 0 FCAAMP Cc1ccc[nH+]c1N1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000065398807 221212183 /nfs/dbraw/zinc/21/21/83/221212183.db2.gz NCHZRNGEZCNKSG-INIZCTEOSA-N 2 1 369.473 0.944 50 0 FCAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)C1 ZINC000065422132 221217254 /nfs/dbraw/zinc/21/72/54/221217254.db2.gz AVKYELNNMRXCGU-ADDSEFHLSA-N 2 1 370.501 0.593 50 0 FCAAMP C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000067677503 221271195 /nfs/dbraw/zinc/27/11/95/221271195.db2.gz JJLCYPAQSQEIKV-CALCHBBNSA-N 2 1 352.523 0.724 50 0 FCAAMP COCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071774498 221374041 /nfs/dbraw/zinc/37/40/41/221374041.db2.gz AOEDTRUBIPHAJW-INIZCTEOSA-N 2 1 366.506 0.110 50 0 FCAAMP COCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071774498 221374046 /nfs/dbraw/zinc/37/40/46/221374046.db2.gz AOEDTRUBIPHAJW-INIZCTEOSA-N 2 1 366.506 0.110 50 0 FCAAMP Cc1cc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)nc(N2CCCCC2)[nH+]1 ZINC000091987106 132205260 /nfs/dbraw/zinc/20/52/60/132205260.db2.gz VESFLLWMLBVVHH-IAGOWNOFSA-N 2 1 363.506 0.744 50 0 FCAAMP C[NH+]1CCN(CCOc2ccccc2C[N@H+]2CC[C@](C)(O)[C@@H](O)C2)CC1 ZINC000096137423 222041844 /nfs/dbraw/zinc/04/18/44/222041844.db2.gz IQTMQFBUOHQDAU-PMACEKPBSA-N 2 1 363.502 0.630 50 0 FCAAMP C[N@H+]1CC2(C[C@H]1C(=O)N1CCC(O)(c3cccnc3)CC1)CC[NH2+]CC2 ZINC000072475973 488381673 /nfs/dbraw/zinc/38/16/73/488381673.db2.gz SPPIKPSMOHXXNW-KRWDZBQOSA-N 2 1 358.486 0.966 50 0 FCAAMP C[N@H+](CCO)C[C@@H]1CN(C(=O)C[NH+]2CCc3ccccc3C2)C[C@@H]1CO ZINC000091645726 488466843 /nfs/dbraw/zinc/46/68/43/488466843.db2.gz IVLZMSKVPJTUJQ-RTBURBONSA-N 2 1 361.486 0.036 50 0 FCAAMP C[N@@H+](CCO)C[C@@H]1CN(C(=O)C[NH+]2CCc3ccccc3C2)C[C@@H]1CO ZINC000091645726 488466846 /nfs/dbraw/zinc/46/68/46/488466846.db2.gz IVLZMSKVPJTUJQ-RTBURBONSA-N 2 1 361.486 0.036 50 0 FCAAMP C[NH+](CCO)C[C@@H]1CN(C(=O)C[N@@H+]2CCc3ccccc3C2)C[C@@H]1CO ZINC000091645726 488466848 /nfs/dbraw/zinc/46/68/48/488466848.db2.gz IVLZMSKVPJTUJQ-RTBURBONSA-N 2 1 361.486 0.036 50 0 FCAAMP C[NH+](CCO)C[C@@H]1CN(C(=O)C[N@H+]2CCc3ccccc3C2)C[C@@H]1CO ZINC000091645726 488466851 /nfs/dbraw/zinc/46/68/51/488466851.db2.gz IVLZMSKVPJTUJQ-RTBURBONSA-N 2 1 361.486 0.036 50 0 FCAAMP C[NH+]1CCN([C@H]2CN(C(=O)C3([NH+]4CCCC4)CCCC3)C[C@@H]2O)CC1 ZINC000952970907 674481776 /nfs/dbraw/zinc/48/17/76/674481776.db2.gz BMJQHKIGKSXUDJ-IRXDYDNUSA-N 2 1 350.507 0.214 50 0 FCAAMP CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952874236 1206212357 /nfs/dbraw/zinc/21/23/57/1206212357.db2.gz YYNOQCWFOYBACZ-GOSISDBHSA-N 2 1 366.550 0.852 50 0 FCAAMP C[N@H+]1CCCN(CC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000823778384 836518145 /nfs/dbraw/zinc/51/81/45/836518145.db2.gz SCLQNQXRBPMFOA-GOSISDBHSA-N 2 1 352.523 0.727 50 0 FCAAMP Nc1cc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc[nH+]1 ZINC000299787887 210029464 /nfs/dbraw/zinc/02/94/64/210029464.db2.gz YNLWCPLFBZSLQO-INIZCTEOSA-N 2 1 374.489 0.820 50 0 FCAAMP Nc1cc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)[nH+]cn1 ZINC000299787887 210029470 /nfs/dbraw/zinc/02/94/70/210029470.db2.gz YNLWCPLFBZSLQO-INIZCTEOSA-N 2 1 374.489 0.820 50 0 FCAAMP [NH3+]C1CN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000071752568 221363489 /nfs/dbraw/zinc/36/34/89/221363489.db2.gz FNGVTCLKVIKQDG-KRWDZBQOSA-N 2 1 357.502 0.928 50 0 FCAAMP O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCC1=CSC2=NCCN12 ZINC000102577879 222299599 /nfs/dbraw/zinc/29/95/99/222299599.db2.gz BGGXWMWYINCLNM-CQSZACIVSA-N 2 1 363.487 0.496 50 0 FCAAMP O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012748889 487557049 /nfs/dbraw/zinc/55/70/49/487557049.db2.gz QBAAIPNHQNLMIL-SFHVURJKSA-N 2 1 371.485 0.863 50 0 FCAAMP Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@@H]1CC2(C[N@H+]1C)CC[NH2+]CC2 ZINC000072454703 488381327 /nfs/dbraw/zinc/38/13/27/488381327.db2.gz ZGGHZWCDXYZDNX-KRWDZBQOSA-N 2 1 363.506 0.432 50 0 FCAAMP COCC[N@@H+](C)CCN1CC2(CCN([C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072479535 488381899 /nfs/dbraw/zinc/38/18/99/488381899.db2.gz QPRQBBJZQYSPEK-MRXNPFEDSA-N 2 1 354.495 0.603 50 0 FCAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000670451717 493569299 /nfs/dbraw/zinc/56/92/99/493569299.db2.gz NMBBIMVLCCMUQT-UHFFFAOYSA-N 2 1 374.493 0.323 50 0 FCAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)C[C@@H]3CN(C)CC[NH+]3C)cc2C1 ZINC000082115389 519732025 /nfs/dbraw/zinc/73/20/25/519732025.db2.gz LHUPEXUWAQHDFC-QGZVFWFLSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[NH+]1CCn2nc(CNC(=O)C[C@@H]3CN(C)CC[N@@H+]3C)cc2C1 ZINC000082115389 519732026 /nfs/dbraw/zinc/73/20/26/519732026.db2.gz LHUPEXUWAQHDFC-QGZVFWFLSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[NH+]1CCn2nc(CNC(=O)C[C@@H]3CN(C)CC[N@H+]3C)cc2C1 ZINC000082115389 519732027 /nfs/dbraw/zinc/73/20/27/519732027.db2.gz LHUPEXUWAQHDFC-QGZVFWFLSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[N@@H+]1CCn2nc(CNC(=O)C[C@@H]3C[NH+](C)CCN3C)cc2C1 ZINC000082115389 519732028 /nfs/dbraw/zinc/73/20/28/519732028.db2.gz LHUPEXUWAQHDFC-QGZVFWFLSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)C[C@@H]3C[NH+](C)CCN3C)cc2C1 ZINC000082115389 519732029 /nfs/dbraw/zinc/73/20/29/519732029.db2.gz LHUPEXUWAQHDFC-QGZVFWFLSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[NH+]1CCn2nc(CNC(=O)C[C@@H]3C[N@H+](C)CCN3C)cc2C1 ZINC000082115389 519732031 /nfs/dbraw/zinc/73/20/31/519732031.db2.gz LHUPEXUWAQHDFC-QGZVFWFLSA-N 2 1 362.522 0.607 50 0 FCAAMP CC(C)C[NH+]1CCn2nc(CNC(=O)C[C@@H]3C[N@@H+](C)CCN3C)cc2C1 ZINC000082115389 519732032 /nfs/dbraw/zinc/73/20/32/519732032.db2.gz LHUPEXUWAQHDFC-QGZVFWFLSA-N 2 1 362.522 0.607 50 0 FCAAMP CS(=O)(=O)NCc1cc2n(n1)CCC[N@@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C2 ZINC000244594197 525204638 /nfs/dbraw/zinc/20/46/38/525204638.db2.gz DIAXCTOPSZHQEN-OKILXGFUSA-N 2 1 355.508 0.656 50 0 FCAAMP Cc1ccc[nH+]c1NCCNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCC2)C1 ZINC000091519183 525543822 /nfs/dbraw/zinc/54/38/22/525543822.db2.gz WRGATIWKBNYJRI-CVEARBPZSA-N 2 1 359.474 0.766 50 0 FCAAMP O=C(NCc1cc2n(n1)CCC[NH2+]C2)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000082156807 526645670 /nfs/dbraw/zinc/64/56/70/526645670.db2.gz UYCCHVRQMJQGBZ-OAHLLOKOSA-N 2 1 361.490 0.884 50 0 FCAAMP C[N@H+]1CCN(C(=O)CN2CCc3ccccc3C2)C[C@]12CCNC(=O)CC2 ZINC000095392318 1171297234 /nfs/dbraw/zinc/29/72/34/1171297234.db2.gz ZZFKAHSDOPDXSV-NRFANRHFSA-N 2 1 370.497 0.858 50 0 FCAAMP CN1CCN(C(=O)CN2CCc3ccccc3C2)C[C@]12CCNC(=O)CC2 ZINC000095392318 1171297249 /nfs/dbraw/zinc/29/72/49/1171297249.db2.gz ZZFKAHSDOPDXSV-NRFANRHFSA-N 2 1 370.497 0.858 50 0 FCAAMP Cc1ncc2c(c1-c1noc([C@H]3CC[N@H+](C)C3)n1)CCN(C(=O)C[NH3+])C2 ZINC000023478414 1181727559 /nfs/dbraw/zinc/72/75/59/1181727559.db2.gz ONLHPQQTXRGENI-LBPRGKRZSA-N 2 1 356.430 0.703 50 0 FCAAMP CC[NH+]1CCN(CCNC(=O)[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000675011990 1183113284 /nfs/dbraw/zinc/11/32/84/1183113284.db2.gz XSOFFZXWEIFUGO-RBUKOAKNSA-N 2 1 360.502 0.812 50 0 FCAAMP Cc1ncsc1C[N@H+]1CCc2nc(N3CC[NH+](C)CC3)[nH]c(=O)c2CC1 ZINC000169757630 1196780551 /nfs/dbraw/zinc/78/05/51/1196780551.db2.gz OQTYPBKNCLYCFV-UHFFFAOYSA-N 2 1 374.514 0.887 50 0 FCAAMP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000072151821 1219208501 /nfs/dbraw/zinc/20/85/01/1219208501.db2.gz UQIAEUGEXADDNJ-GOSISDBHSA-N 3 1 357.502 0.848 50 0 FCAAMP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000072151821 1219208502 /nfs/dbraw/zinc/20/85/02/1219208502.db2.gz UQIAEUGEXADDNJ-GOSISDBHSA-N 3 1 357.502 0.848 50 0 FCAAMP C[N@H+]1CCC[C@H](Nc2nc(NC3CC3)nc3c2CCN(CC[NH3+])CC3)C1 ZINC000072428374 1219331086 /nfs/dbraw/zinc/33/10/86/1219331086.db2.gz VLAOXZYBXJVDME-HNNXBMFYSA-N 2 1 359.522 0.916 50 0 FCAAMP O=C(C[N@H+]1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1)N1CC[NH2+]CC1 ZINC001704301222 1286219322 /nfs/dbraw/zinc/21/93/22/1286219322.db2.gz PQBKCFWGELHJRY-VQIMIIECSA-N 2 1 354.454 0.502 50 0 FCAAMP C[NH+]1CCN(C(=O)c2ccnc(N3CCOC4(CC[NH+](C)CC4)C3)c2)CC1 ZINC001772807330 1290901616 /nfs/dbraw/zinc/90/16/16/1290901616.db2.gz MTAMBFJQUAHVRL-UHFFFAOYSA-N 2 1 373.501 0.770 50 0 FCAAMP COc1ccc(F)c(CN2CCC[C@@](O)(C[N@@H+]3CCC[NH2+]CC3)C2=O)c1 ZINC000067805336 221288435 /nfs/dbraw/zinc/28/84/35/221288435.db2.gz ORRMALYBBOPPJD-LJQANCHMSA-N 2 1 365.449 0.983 50 0 FCAAMP COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+]3CCC[NH2+]CC3)C2=O)c1 ZINC000067805336 221288438 /nfs/dbraw/zinc/28/84/38/221288438.db2.gz ORRMALYBBOPPJD-LJQANCHMSA-N 2 1 365.449 0.983 50 0 FCAAMP CC(C)C[N@H+]1CCN(c2nc(N(C)C)nc3c2CC[NH2+]C3)C[C@@H]1CCO ZINC000067973880 221310113 /nfs/dbraw/zinc/31/01/13/221310113.db2.gz FGOSSZFAQNKNMM-HNNXBMFYSA-N 2 1 362.522 0.717 50 0 FCAAMP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3cc[nH+]c(N)n3)CC2)C1 ZINC000071764274 136140840 /nfs/dbraw/zinc/14/08/40/136140840.db2.gz WDIBVSXOSZMONE-CQSZACIVSA-N 2 1 362.478 0.502 50 0 FCAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]c(N)n3)CC2)C1 ZINC000071764274 136140841 /nfs/dbraw/zinc/14/08/41/136140841.db2.gz WDIBVSXOSZMONE-CQSZACIVSA-N 2 1 362.478 0.502 50 0 FCAAMP CCOC1CC[NH+](Cc2cc3n(n2)CCCN(C(=O)[C@@H]2CC[NH2+]2)C3)CC1 ZINC000072435377 488380909 /nfs/dbraw/zinc/38/09/09/488380909.db2.gz OAHLOCJJCZUQDO-SFHVURJKSA-N 2 1 361.490 0.978 50 0 FCAAMP NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)C1 ZINC000952975007 1206216167 /nfs/dbraw/zinc/21/61/67/1206216167.db2.gz LBBOFIZUAIYAQG-MSOLQXFVSA-N 2 1 373.501 0.922 50 0 FCAAMP Cc1ccsc1C[N@@H+]1CCN2C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2C1 ZINC000014538425 211095032 /nfs/dbraw/zinc/09/50/32/211095032.db2.gz ZCXIIGSLQFCRJM-UONOGXRCSA-N 2 1 350.488 0.697 50 0 FCAAMP Cc1ccsc1C[N@H+]1CCN2C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2C1 ZINC000014538425 211095034 /nfs/dbraw/zinc/09/50/34/211095034.db2.gz ZCXIIGSLQFCRJM-UONOGXRCSA-N 2 1 350.488 0.697 50 0 FCAAMP CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)nn2)C[NH2+]1 ZINC000067856191 221296777 /nfs/dbraw/zinc/29/67/77/221296777.db2.gz LKAGLHHVKVLCPQ-BBWFWOEESA-N 2 1 370.457 0.161 50 0 FCAAMP [NH3+]C1CN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000071712247 221355625 /nfs/dbraw/zinc/35/56/25/221355625.db2.gz UGUQSSMLRNQKKD-KRWDZBQOSA-N 2 1 357.502 0.928 50 0 FCAAMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000081400275 488442120 /nfs/dbraw/zinc/44/21/20/488442120.db2.gz AKOMDIYWIVKMJC-IBGZPJMESA-N 2 1 361.486 0.980 50 0 FCAAMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000081400275 488442121 /nfs/dbraw/zinc/44/21/21/488442121.db2.gz AKOMDIYWIVKMJC-IBGZPJMESA-N 2 1 361.486 0.980 50 0 FCAAMP C[NH+]1CCC(C)(C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)CC1 ZINC000082160922 488446265 /nfs/dbraw/zinc/44/62/65/488446265.db2.gz FMTRZKXSUHZSTQ-UHFFFAOYSA-N 2 1 369.535 0.870 50 0 FCAAMP O=C(NCC[N@@H+]1CCCC[C@H]1CO)C1CC[NH+](C2CCOCC2)CC1 ZINC000670464158 493570107 /nfs/dbraw/zinc/57/01/07/493570107.db2.gz RGQZPDQIIRWKKK-SFHVURJKSA-N 2 1 353.507 0.840 50 0 FCAAMP CN1CC[NH+](CCCOc2ccccc2CN2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC000082109010 523899486 /nfs/dbraw/zinc/89/94/86/523899486.db2.gz BOSACGMZTVWTII-RTBURBONSA-N 2 1 362.518 0.597 50 0 FCAAMP O=C1CC[C@@H]([N@H+]2CCOC3(CC[NH+](Cc4cncnc4)CC3)C2)CCN1 ZINC000828305211 1197934016 /nfs/dbraw/zinc/93/40/16/1197934016.db2.gz CDLVDJKINHOFLN-QGZVFWFLSA-N 2 1 359.474 0.812 50 0 FCAAMP CCc1[nH+]ccn1CC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091326092 529759821 /nfs/dbraw/zinc/75/98/21/529759821.db2.gz YBKBGWCHONBJSR-SJORKVTESA-N 2 1 364.490 0.767 50 0 FCAAMP O=C([C@H]1COCC[NH2+]1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000238011932 132248766 /nfs/dbraw/zinc/24/87/66/132248766.db2.gz ISEYPWCWDZXKSH-QZTJIDSGSA-N 2 1 373.501 0.431 50 0 FCAAMP Cc1c(NC(=O)C[NH+](C)C)cccc1NC(=O)NC[C@]1(O)CCC[NH2+]C1 ZINC000097831212 222216287 /nfs/dbraw/zinc/21/62/87/222216287.db2.gz RYRDNRCRZFFECK-SFHVURJKSA-N 2 1 363.462 0.731 50 0 FCAAMP Cn1c(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc(=O)n(C)c1=O ZINC000289480978 489070674 /nfs/dbraw/zinc/07/06/74/489070674.db2.gz ZUPMJACHLBAVJF-UHFFFAOYSA-N 2 1 365.437 0.954 50 0 FCAAMP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426382926 489565023 /nfs/dbraw/zinc/56/50/23/489565023.db2.gz OGYPXLKMWISBDO-CQSZACIVSA-N 2 1 374.489 0.873 50 0 FCAAMP NC(=O)C[N@H+]1CCC[C@H](C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)C1 ZINC000952975487 1206217025 /nfs/dbraw/zinc/21/70/25/1206217025.db2.gz LBBOFIZUAIYAQG-ZWKOTPCHSA-N 2 1 373.501 0.922 50 0 FCAAMP Nc1nc2c(c(N3CCC[N@@H+](Cc4cccnc4)CC3)n1)CC[NH2+]CC2 ZINC000072431487 1219332053 /nfs/dbraw/zinc/33/20/53/1219332053.db2.gz MYOKKUVROCNCSL-UHFFFAOYSA-N 2 1 353.474 0.854 50 0 FCAAMP Nc1cc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc[nH+]1 ZINC000299787889 210028925 /nfs/dbraw/zinc/02/89/25/210028925.db2.gz YNLWCPLFBZSLQO-MRXNPFEDSA-N 2 1 374.489 0.820 50 0 FCAAMP Nc1cc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)[nH+]cn1 ZINC000299787889 210028928 /nfs/dbraw/zinc/02/89/28/210028928.db2.gz YNLWCPLFBZSLQO-MRXNPFEDSA-N 2 1 374.489 0.820 50 0 FCAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000065396180 221210652 /nfs/dbraw/zinc/21/06/52/221210652.db2.gz CZQJEDAABIEEQJ-JDNHERCYSA-N 2 1 356.348 0.310 50 0 FCAAMP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067559335 221259386 /nfs/dbraw/zinc/25/93/86/221259386.db2.gz HBYXWNALNKCSFD-QGZVFWFLSA-N 2 1 356.470 0.732 50 0 FCAAMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067559335 221259391 /nfs/dbraw/zinc/25/93/91/221259391.db2.gz HBYXWNALNKCSFD-QGZVFWFLSA-N 2 1 356.470 0.732 50 0 FCAAMP NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071422222 221347262 /nfs/dbraw/zinc/34/72/62/221347262.db2.gz GWVFXIYIPBDJMM-MRXNPFEDSA-N 2 1 373.501 0.750 50 0 FCAAMP NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071422222 221347265 /nfs/dbraw/zinc/34/72/65/221347265.db2.gz GWVFXIYIPBDJMM-MRXNPFEDSA-N 2 1 373.501 0.750 50 0 FCAAMP COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC000102836124 222310001 /nfs/dbraw/zinc/31/00/01/222310001.db2.gz XCDYRSSFSSXFHW-FICVDOATSA-N 2 1 359.474 0.197 50 0 FCAAMP O=C1NCCCC[C@H]1Nc1ncnc2c1CC[N@@H+](C1CC[NH2+]CC1)CC2 ZINC000072408459 488380052 /nfs/dbraw/zinc/38/00/52/488380052.db2.gz SFVUSGNOCBTVGA-QGZVFWFLSA-N 2 1 358.490 0.710 50 0 FCAAMP O=C1NCCCC[C@H]1Nc1ncnc2c1CC[N@H+](C1CC[NH2+]CC1)CC2 ZINC000072408459 488380053 /nfs/dbraw/zinc/38/00/53/488380053.db2.gz SFVUSGNOCBTVGA-QGZVFWFLSA-N 2 1 358.490 0.710 50 0 FCAAMP COCCc1noc(CN(C)C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)n1 ZINC000072424381 488380569 /nfs/dbraw/zinc/38/05/69/488380569.db2.gz WTBYVIJSZPOOLZ-CYBMUJFWSA-N 2 1 351.451 0.291 50 0 FCAAMP CN1CCNC(=O)C12CCN(C(=O)C[N@H+]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000216482597 488441860 /nfs/dbraw/zinc/44/18/60/488441860.db2.gz WMDOVECNZXMTLF-GOSISDBHSA-N 2 1 370.497 0.899 50 0 FCAAMP C[C@@H]1C[C@H](N(C)C(=O)CN2CCNCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000237585182 488456160 /nfs/dbraw/zinc/45/61/60/488456160.db2.gz KRGRLKKHONVDAB-SJLPKXTDSA-N 2 1 358.486 0.930 50 0 FCAAMP OCCNc1nc(N2CCN(c3cc[nH+]cc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426493334 489570822 /nfs/dbraw/zinc/57/08/22/489570822.db2.gz XIIAXXUOSRSPIY-OAHLLOKOSA-N 2 1 370.457 1.106 50 0 FCAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3cccc(CC[NH3+])c3)C[C@@H]2CO)CC1 ZINC000091410488 523807621 /nfs/dbraw/zinc/80/76/21/523807621.db2.gz LOTADVRYAQFKRS-NHCUHLMSSA-N 3 1 360.546 0.866 50 0 FCAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3cccc(CC[NH3+])c3)C[C@@H]2CO)CC1 ZINC000091410488 523807624 /nfs/dbraw/zinc/80/76/24/523807624.db2.gz LOTADVRYAQFKRS-NHCUHLMSSA-N 3 1 360.546 0.866 50 0 FCAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3cccc(CC[NH3+])c3)C[C@@H]2CO)CC1 ZINC000091410488 523807631 /nfs/dbraw/zinc/80/76/31/523807631.db2.gz LOTADVRYAQFKRS-NHCUHLMSSA-N 3 1 360.546 0.866 50 0 FCAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCCO)c2)CC1 ZINC000020254925 675435247 /nfs/dbraw/zinc/43/52/47/675435247.db2.gz NFNNULWQPXYPKC-GOSISDBHSA-N 2 1 351.491 0.536 50 0 FCAAMP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000072145875 1219202559 /nfs/dbraw/zinc/20/25/59/1219202559.db2.gz CPIBIWFQYDIFMX-GOSISDBHSA-N 3 1 357.502 0.848 50 0 FCAAMP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000072145875 1219202568 /nfs/dbraw/zinc/20/25/68/1219202568.db2.gz CPIBIWFQYDIFMX-GOSISDBHSA-N 3 1 357.502 0.848 50 0 FCAAMP C[N@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](C1CCOCC1)CC2 ZINC000581802744 836087823 /nfs/dbraw/zinc/08/78/23/836087823.db2.gz NKIYWXVBRXMRGV-QGZVFWFLSA-N 2 1 351.491 0.811 50 0 FCAAMP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3cc(N)[nH+]cn3)CC2)C1 ZINC000071753266 136140330 /nfs/dbraw/zinc/14/03/30/136140330.db2.gz VPLUHCRJINUSLO-CQSZACIVSA-N 2 1 362.478 0.502 50 0 FCAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3cc(N)[nH+]cn3)CC2)C1 ZINC000071753266 136140331 /nfs/dbraw/zinc/14/03/31/136140331.db2.gz VPLUHCRJINUSLO-CQSZACIVSA-N 2 1 362.478 0.502 50 0 FCAAMP Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071762270 136140850 /nfs/dbraw/zinc/14/08/50/136140850.db2.gz PECGNYSQIHUXTB-HNNXBMFYSA-N 2 1 374.489 0.598 50 0 FCAAMP Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071762270 136140851 /nfs/dbraw/zinc/14/08/51/136140851.db2.gz PECGNYSQIHUXTB-HNNXBMFYSA-N 2 1 374.489 0.598 50 0 FCAAMP OCC[NH+]1CCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)CC1 ZINC000072420017 136145930 /nfs/dbraw/zinc/14/59/30/136145930.db2.gz OVSRYXAGSPURIZ-UHFFFAOYSA-N 2 1 354.458 0.341 50 0 FCAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000105769721 222374712 /nfs/dbraw/zinc/37/47/12/222374712.db2.gz FQQIAQVBVSFZQJ-ROUUACIJSA-N 2 1 370.538 0.999 50 0 FCAAMP OC[C@]1(O)CC[N@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)C1 ZINC000215165288 488439965 /nfs/dbraw/zinc/43/99/65/488439965.db2.gz YSFKZJDADRCUQR-IBGZPJMESA-N 2 1 350.459 0.717 50 0 FCAAMP OC[C@]1(O)CC[N@@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)C1 ZINC000215165288 488439966 /nfs/dbraw/zinc/43/99/66/488439966.db2.gz YSFKZJDADRCUQR-IBGZPJMESA-N 2 1 350.459 0.717 50 0 FCAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](CCCn3cnnn3)C2)n1C ZINC000095384722 488483233 /nfs/dbraw/zinc/48/32/33/488483233.db2.gz WCXZATVPDMQQCF-OAHLLOKOSA-N 2 1 370.465 0.625 50 0 FCAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](CCCn3cnnn3)C2)n1C ZINC000095384722 488483236 /nfs/dbraw/zinc/48/32/36/488483236.db2.gz WCXZATVPDMQQCF-OAHLLOKOSA-N 2 1 370.465 0.625 50 0 FCAAMP CC[NH+]1CCN(C2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2)CC1 ZINC000223920011 535649372 /nfs/dbraw/zinc/64/93/72/535649372.db2.gz OOUACULAFHRRFJ-UHFFFAOYSA-N 2 1 359.522 0.870 50 0 FCAAMP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c(C)c1 ZINC000014742371 1213908202 /nfs/dbraw/zinc/90/82/02/1213908202.db2.gz YKXJXPWWFJAWST-ZWKOTPCHSA-N 2 1 358.486 0.944 50 0 FCAAMP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c(C)c1 ZINC000014742371 1213908209 /nfs/dbraw/zinc/90/82/09/1213908209.db2.gz YKXJXPWWFJAWST-ZWKOTPCHSA-N 2 1 358.486 0.944 50 0 FCAAMP CC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000823110186 836512456 /nfs/dbraw/zinc/51/24/56/836512456.db2.gz ILFULVDYDWDSKZ-MRXNPFEDSA-N 2 1 357.520 0.629 50 0 FCAAMP CC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000823110186 836512462 /nfs/dbraw/zinc/51/24/62/836512462.db2.gz ILFULVDYDWDSKZ-MRXNPFEDSA-N 2 1 357.520 0.629 50 0 FCAAMP O=C(NCC[NH+]1CCC(O)CC1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065375561 221206747 /nfs/dbraw/zinc/20/67/47/221206747.db2.gz NYMXXGOYPFKHJP-DNVCBOLYSA-N 3 1 350.507 0.023 50 0 FCAAMP O=C(NCCN1CCC(O)CC1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065375561 221206748 /nfs/dbraw/zinc/20/67/48/221206748.db2.gz NYMXXGOYPFKHJP-DNVCBOLYSA-N 2 1 350.507 0.023 50 0 FCAAMP O=C(NCCN1CCC(O)CC1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065375561 221206749 /nfs/dbraw/zinc/20/67/49/221206749.db2.gz NYMXXGOYPFKHJP-DNVCBOLYSA-N 2 1 350.507 0.023 50 0 FCAAMP C[N@@H+]1CCCN(c2ncccc2CNC(=O)C[NH+]2CCC[C@H](O)C2)CC1 ZINC000067872334 221298729 /nfs/dbraw/zinc/29/87/29/221298729.db2.gz FJHXZSBZOCIMLS-KRWDZBQOSA-N 2 1 361.490 0.296 50 0 FCAAMP C[N@H+]1CCCN(c2ncccc2CNC(=O)C[NH+]2CCC[C@H](O)C2)CC1 ZINC000067872334 221298734 /nfs/dbraw/zinc/29/87/34/221298734.db2.gz FJHXZSBZOCIMLS-KRWDZBQOSA-N 2 1 361.490 0.296 50 0 FCAAMP C[NH+]1CCCN(c2ncccc2CNC(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000067872334 221298738 /nfs/dbraw/zinc/29/87/38/221298738.db2.gz FJHXZSBZOCIMLS-KRWDZBQOSA-N 2 1 361.490 0.296 50 0 FCAAMP C[NH+]1CCCN(c2ncccc2CNC(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000067872334 221298740 /nfs/dbraw/zinc/29/87/40/221298740.db2.gz FJHXZSBZOCIMLS-KRWDZBQOSA-N 2 1 361.490 0.296 50 0 FCAAMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750211 221362617 /nfs/dbraw/zinc/36/26/17/221362617.db2.gz OZEGZSOLXDQOID-INIZCTEOSA-N 2 1 373.501 0.620 50 0 FCAAMP NC(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071774612 221373967 /nfs/dbraw/zinc/37/39/67/221373967.db2.gz DBCZXBWQUPWMBH-KRWDZBQOSA-N 2 1 358.486 0.965 50 0 FCAAMP NC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071774612 221373971 /nfs/dbraw/zinc/37/39/71/221373971.db2.gz DBCZXBWQUPWMBH-KRWDZBQOSA-N 2 1 358.486 0.965 50 0 FCAAMP [NH3+]CCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071776002 221375020 /nfs/dbraw/zinc/37/50/20/221375020.db2.gz VCIGYETUELKGCM-MRXNPFEDSA-N 2 1 373.501 0.750 50 0 FCAAMP COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3cc(N)[nH+]cn3)CC2)C1 ZINC000071753267 136140285 /nfs/dbraw/zinc/14/02/85/136140285.db2.gz VPLUHCRJINUSLO-AWEZNQCLSA-N 2 1 362.478 0.502 50 0 FCAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3cc(N)[nH+]cn3)CC2)C1 ZINC000071753267 136140286 /nfs/dbraw/zinc/14/02/86/136140286.db2.gz VPLUHCRJINUSLO-AWEZNQCLSA-N 2 1 362.478 0.502 50 0 FCAAMP COc1cc(C[N@@H+](C)CCO)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000096167174 222066180 /nfs/dbraw/zinc/06/61/80/222066180.db2.gz QWNYOJVTNJQJIY-MRXNPFEDSA-N 2 1 370.515 0.908 50 0 FCAAMP O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012748892 487556723 /nfs/dbraw/zinc/55/67/23/487556723.db2.gz QBAAIPNHQNLMIL-GOSISDBHSA-N 2 1 371.485 0.863 50 0 FCAAMP C[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072163297 488378738 /nfs/dbraw/zinc/37/87/38/488378738.db2.gz CLMTYAYYTNJRGY-QGZVFWFLSA-N 2 1 374.485 0.743 50 0 FCAAMP CS(=O)(=O)c1cnc(NCC[NH+]2CCCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072422937 488380289 /nfs/dbraw/zinc/38/02/89/488380289.db2.gz MOYLCGSNGMFGCY-CYBMUJFWSA-N 2 1 353.492 0.855 50 0 FCAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCC[NH+](C)C)C1 ZINC000072429091 488380839 /nfs/dbraw/zinc/38/08/39/488380839.db2.gz ZZBSQLZQATWBHJ-INIZCTEOSA-N 2 1 364.538 0.903 50 0 FCAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CCC[NH+](C)C)C1 ZINC000072429091 488380840 /nfs/dbraw/zinc/38/08/40/488380840.db2.gz ZZBSQLZQATWBHJ-INIZCTEOSA-N 2 1 364.538 0.903 50 0 FCAAMP [NH3+]CCn1cc(C(=O)NC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)nn1 ZINC000077287496 488410003 /nfs/dbraw/zinc/41/00/03/488410003.db2.gz ILLKSXKNPXWDAF-UHFFFAOYSA-N 2 1 364.400 0.909 50 0 FCAAMP CN1CC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)CC2)OC1=O ZINC000077388944 488412137 /nfs/dbraw/zinc/41/21/37/488412137.db2.gz AYBCONSEHIBYOV-HNNXBMFYSA-N 2 1 350.463 0.646 50 0 FCAAMP CN1CC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)CC2)OC1=O ZINC000077388944 488412138 /nfs/dbraw/zinc/41/21/38/488412138.db2.gz AYBCONSEHIBYOV-HNNXBMFYSA-N 2 1 350.463 0.646 50 0 FCAAMP C[N@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)C[NH3+])CC2)OC1=O ZINC000077437535 488412882 /nfs/dbraw/zinc/41/28/82/488412882.db2.gz XOYXJUSHNVWKMA-UHFFFAOYSA-N 2 1 374.485 0.933 50 0 FCAAMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3nnc4n3CCCCC4)cn2)CC1 ZINC000079064247 488426858 /nfs/dbraw/zinc/42/68/58/488426858.db2.gz AZDXHLVERNPFAM-UHFFFAOYSA-N 2 1 370.505 0.879 50 0 FCAAMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 ZINC000091965773 488472272 /nfs/dbraw/zinc/47/22/72/488472272.db2.gz CPZYDTIERQASSA-KRWDZBQOSA-N 2 1 373.501 0.531 50 0 FCAAMP CN(CC[NH+](C)C)C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426443345 489567825 /nfs/dbraw/zinc/56/78/25/489567825.db2.gz NNPLMPVPVTXBOO-BIXGBWIQSA-N 2 1 371.529 0.757 50 0 FCAAMP C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)(c2ccccc2)CC1 ZINC000091452647 523762907 /nfs/dbraw/zinc/76/29/07/523762907.db2.gz CXFLNZVCEURKOT-KRWDZBQOSA-N 2 1 372.513 0.964 50 0 FCAAMP C[N@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC000581802298 1198963160 /nfs/dbraw/zinc/96/31/60/1198963160.db2.gz DFTAUZIKHSNNAU-GOSISDBHSA-N 3 1 364.534 0.726 50 0 FCAAMP NC(=O)C[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)C1 ZINC000952975485 1206216538 /nfs/dbraw/zinc/21/65/38/1206216538.db2.gz LBBOFIZUAIYAQG-ROUUACIJSA-N 2 1 373.501 0.922 50 0 FCAAMP Nc1nnc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)s1 ZINC000065382811 835993640 /nfs/dbraw/zinc/99/36/40/835993640.db2.gz HXHJFPPUJALUON-BDJLRTHQSA-N 2 1 350.492 0.243 50 0 FCAAMP CC(=O)N1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000065423272 221217527 /nfs/dbraw/zinc/21/75/27/221217527.db2.gz APLWVXQJBUZSMQ-WIYYLYMNSA-N 2 1 370.497 0.835 50 0 FCAAMP Cc1ccc(-c2noc(CCNC(=O)[C@@]34C[NH2+]C[C@@H]3C[N@H+](C)C4)n2)cc1 ZINC000065398233 221211835 /nfs/dbraw/zinc/21/18/35/221211835.db2.gz DMMNXBGWRUOFLZ-DNVCBOLYSA-N 2 1 355.442 0.855 50 0 FCAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCN2N=C(c3ccccc3)CCC2=O)C1 ZINC000065529907 221231713 /nfs/dbraw/zinc/23/17/13/221231713.db2.gz SNQXTIUPRZWHOE-OXQOHEQNSA-N 2 1 369.469 0.281 50 0 FCAAMP O=C(NCC1(C[NH+]2CCOCC2)CC1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067842608 221292731 /nfs/dbraw/zinc/29/27/31/221292731.db2.gz KEIVWVSAMFZWPV-OAHLLOKOSA-N 2 1 362.478 0.120 50 0 FCAAMP [NH3+]CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071747290 221360098 /nfs/dbraw/zinc/36/00/98/221360098.db2.gz ISEIUCLXPPWOSP-INIZCTEOSA-N 2 1 359.474 0.360 50 0 FCAAMP OCC[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[N@@H+]1Cc1ccoc1 ZINC000107012535 132241051 /nfs/dbraw/zinc/24/10/51/132241051.db2.gz AWAFDWJOIIKDQH-MRXNPFEDSA-N 2 1 357.458 0.831 50 0 FCAAMP OCC[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[N@H+]1Cc1ccoc1 ZINC000107012535 132241053 /nfs/dbraw/zinc/24/10/53/132241053.db2.gz AWAFDWJOIIKDQH-MRXNPFEDSA-N 2 1 357.458 0.831 50 0 FCAAMP Cc1nc(CNc2nc(N)nc3c2CC[N@@H+](C2CC[NH2+]CC2)CC3)no1 ZINC000072424563 488380584 /nfs/dbraw/zinc/38/05/84/488380584.db2.gz GCSZCPNZERKEHI-UHFFFAOYSA-N 2 1 358.450 0.515 50 0 FCAAMP Cc1nc(CNc2nc(N)nc3c2CC[N@H+](C2CC[NH2+]CC2)CC3)no1 ZINC000072424563 488380585 /nfs/dbraw/zinc/38/05/85/488380585.db2.gz GCSZCPNZERKEHI-UHFFFAOYSA-N 2 1 358.450 0.515 50 0 FCAAMP Cn1c2ccc(CNC(=O)[C@H]3CC4(C[N@H+]3C)CC[NH2+]CC4)cc2n(C)c1=O ZINC000072475765 488381810 /nfs/dbraw/zinc/38/18/10/488381810.db2.gz USJZOKSBPFHUHK-QGZVFWFLSA-N 2 1 371.485 0.567 50 0 FCAAMP O[C@H]1CN(Cc2ccccc2OCCn2ccnc2)C[C@@H]1N1CCOCC1 ZINC000216449615 488441946 /nfs/dbraw/zinc/44/19/46/488441946.db2.gz CPOFEQOBQOKBGO-OALUTQOASA-N 2 1 372.469 0.839 50 0 FCAAMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2C)CC[NH+]1C ZINC000225474266 488450473 /nfs/dbraw/zinc/45/04/73/488450473.db2.gz PUMKDNLVIBSQGR-GEEKYZPCSA-N 2 1 352.523 0.925 50 0 FCAAMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000225474266 488450475 /nfs/dbraw/zinc/45/04/75/488450475.db2.gz PUMKDNLVIBSQGR-GEEKYZPCSA-N 2 1 352.523 0.925 50 0 FCAAMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@H]2C)CC[N@H+]1C ZINC000225474266 488450478 /nfs/dbraw/zinc/45/04/78/488450478.db2.gz PUMKDNLVIBSQGR-GEEKYZPCSA-N 2 1 352.523 0.925 50 0 FCAAMP C[C@@H]1C[C@@H](N(C)C(=O)CN2CCNCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000237564651 488456333 /nfs/dbraw/zinc/45/63/33/488456333.db2.gz KRGRLKKHONVDAB-AEFFLSMTSA-N 2 1 358.486 0.930 50 0 FCAAMP OC1CN(c2nc(NCCCC[NH+]3CCCC3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426518289 489572541 /nfs/dbraw/zinc/57/25/41/489572541.db2.gz IGQJAERWANJZRW-OAHLLOKOSA-N 2 1 361.490 1.449 50 0 FCAAMP O=C(CC[NH+]1Cc2ccccc2C1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091504217 526495628 /nfs/dbraw/zinc/49/56/28/526495628.db2.gz KAKAUSAOZVIMBI-WOJBJXKFSA-N 2 1 373.497 0.791 50 0 FCAAMP CN1CCN(C(=O)[C@@H]2CC3(C[N@H+]2C)CCN(C(=O)c2ccco2)CC3)CC1 ZINC000675012074 1183113356 /nfs/dbraw/zinc/11/33/56/1183113356.db2.gz ZISLNNJFLIREDZ-INIZCTEOSA-N 2 1 374.485 0.980 50 0 FCAAMP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)s1 ZINC000014753020 220132908 /nfs/dbraw/zinc/13/29/08/220132908.db2.gz WMTIYSNKFTZUQM-LSDHHAIUSA-N 2 1 350.488 0.697 50 0 FCAAMP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)s1 ZINC000014753020 220132914 /nfs/dbraw/zinc/13/29/14/220132914.db2.gz WMTIYSNKFTZUQM-LSDHHAIUSA-N 2 1 350.488 0.697 50 0 FCAAMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067559339 221258870 /nfs/dbraw/zinc/25/88/70/221258870.db2.gz HBYXWNALNKCSFD-KRWDZBQOSA-N 2 1 356.470 0.732 50 0 FCAAMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067559339 221258871 /nfs/dbraw/zinc/25/88/71/221258871.db2.gz HBYXWNALNKCSFD-KRWDZBQOSA-N 2 1 356.470 0.732 50 0 FCAAMP O=C(NCC1(C[NH+]2CCOCC2)CC1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067842610 221292618 /nfs/dbraw/zinc/29/26/18/221292618.db2.gz KEIVWVSAMFZWPV-HNNXBMFYSA-N 2 1 362.478 0.120 50 0 FCAAMP Cc1[nH+]c(N)nc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c1Cl ZINC000095502509 132212292 /nfs/dbraw/zinc/21/22/92/132212292.db2.gz HQWVSBBJHOUJOC-LLVKDONJSA-N 2 1 359.883 0.766 50 0 FCAAMP Cc1cccc(N2CCN(C(=O)CN3CC4(CC[NH2+]CC4)OC3=O)CC2)[nH+]1 ZINC000095509080 132212787 /nfs/dbraw/zinc/21/27/87/132212787.db2.gz QCBPKTISEBCMCM-UHFFFAOYSA-N 2 1 373.457 0.613 50 0 FCAAMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237960738 132248919 /nfs/dbraw/zinc/24/89/19/132248919.db2.gz ISEYPWCWDZXKSH-MSOLQXFVSA-N 2 1 373.501 0.431 50 0 FCAAMP Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071762271 136140671 /nfs/dbraw/zinc/14/06/71/136140671.db2.gz PECGNYSQIHUXTB-OAHLLOKOSA-N 2 1 374.489 0.598 50 0 FCAAMP Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071762271 136140672 /nfs/dbraw/zinc/14/06/72/136140672.db2.gz PECGNYSQIHUXTB-OAHLLOKOSA-N 2 1 374.489 0.598 50 0 FCAAMP CC(C)Nc1ncc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000095370675 221872286 /nfs/dbraw/zinc/87/22/86/221872286.db2.gz SUHMPIYMELJVBJ-QZTJIDSGSA-N 2 1 362.522 0.585 50 0 FCAAMP CC(C)Nc1ncc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000095370675 221872290 /nfs/dbraw/zinc/87/22/90/221872290.db2.gz SUHMPIYMELJVBJ-QZTJIDSGSA-N 2 1 362.522 0.585 50 0 FCAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000040050760 487811103 /nfs/dbraw/zinc/81/11/03/487811103.db2.gz FQQIAQVBVSFZQJ-HDICACEKSA-N 2 1 370.538 0.999 50 0 FCAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000040050760 487811109 /nfs/dbraw/zinc/81/11/09/487811109.db2.gz FQQIAQVBVSFZQJ-HDICACEKSA-N 2 1 370.538 0.999 50 0 FCAAMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000040050760 487811111 /nfs/dbraw/zinc/81/11/11/487811111.db2.gz FQQIAQVBVSFZQJ-HDICACEKSA-N 2 1 370.538 0.999 50 0 FCAAMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000040050759 487811552 /nfs/dbraw/zinc/81/15/52/487811552.db2.gz FQQIAQVBVSFZQJ-QZTJIDSGSA-N 2 1 370.538 0.999 50 0 FCAAMP COCC[N@@H+](C)CCN1CC2(CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)OC1=O ZINC000077470429 488413901 /nfs/dbraw/zinc/41/39/01/488413901.db2.gz VZNOIUVNALBJPD-OAHLLOKOSA-N 2 1 370.494 0.361 50 0 FCAAMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000225474297 488450546 /nfs/dbraw/zinc/45/05/46/488450546.db2.gz PUMKDNLVIBSQGR-FPCVCCKLSA-N 2 1 352.523 0.925 50 0 FCAAMP C[C@@H]1[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000225474297 488450549 /nfs/dbraw/zinc/45/05/49/488450549.db2.gz PUMKDNLVIBSQGR-FPCVCCKLSA-N 2 1 352.523 0.925 50 0 FCAAMP C[C@@H]1[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000225474297 488450551 /nfs/dbraw/zinc/45/05/51/488450551.db2.gz PUMKDNLVIBSQGR-FPCVCCKLSA-N 2 1 352.523 0.925 50 0 FCAAMP [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C[N@@H+]1CCc3ccccc3C1)CC2 ZINC000091747096 488469250 /nfs/dbraw/zinc/46/92/50/488469250.db2.gz KXZLLEWXHHEENH-MOPGFXCFSA-N 2 1 373.497 0.762 50 0 FCAAMP [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C[N@H+]1CCc3ccccc3C1)CC2 ZINC000091747096 488469252 /nfs/dbraw/zinc/46/92/52/488469252.db2.gz KXZLLEWXHHEENH-MOPGFXCFSA-N 2 1 373.497 0.762 50 0 FCAAMP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](CCCn3cnnn3)CC2)n1C ZINC000091987768 488472646 /nfs/dbraw/zinc/47/26/46/488472646.db2.gz KRUJQYCCEAKCGV-UHFFFAOYSA-N 2 1 370.465 0.625 50 0 FCAAMP CC1(C)CC(Nc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC(C)(C)[NH2+]1 ZINC000426701341 489580364 /nfs/dbraw/zinc/58/03/64/489580364.db2.gz CHLMPIDTJCNGOD-ZDUSSCGKSA-N 2 1 363.506 0.950 50 0 FCAAMP COCC[N@H+](C)CCN1CC2(CCN(c3cc[nH+]c(N)n3)CC2)OC1=O ZINC000077436610 536796913 /nfs/dbraw/zinc/79/69/13/536796913.db2.gz UOGMTDMULQOQDX-UHFFFAOYSA-N 2 1 364.450 0.428 50 0 FCAAMP COCC[N@@H+](C)CCN1CC2(CCN(c3cc[nH+]c(N)n3)CC2)OC1=O ZINC000077436610 536796918 /nfs/dbraw/zinc/79/69/18/536796918.db2.gz UOGMTDMULQOQDX-UHFFFAOYSA-N 2 1 364.450 0.428 50 0 FCAAMP CN1CCN(C(=O)[C@H]2CC3(C[N@H+]2C)CCN(C(=O)c2ccco2)CC3)CC1 ZINC000675012076 1183112780 /nfs/dbraw/zinc/11/27/80/1183112780.db2.gz ZISLNNJFLIREDZ-MRXNPFEDSA-N 2 1 374.485 0.980 50 0 FCAAMP Cc1noc(C)c1CC(=O)N[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169791089 1196784159 /nfs/dbraw/zinc/78/41/59/1196784159.db2.gz DLGKYARICXCNMV-CRAIPNDOSA-N 2 1 364.490 0.991 50 0 FCAAMP Cc1noc(C)c1CC(=O)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169791089 1196784166 /nfs/dbraw/zinc/78/41/66/1196784166.db2.gz DLGKYARICXCNMV-CRAIPNDOSA-N 2 1 364.490 0.991 50 0 FCAAMP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000072151820 1219207871 /nfs/dbraw/zinc/20/78/71/1219207871.db2.gz UQIAEUGEXADDNJ-SFHVURJKSA-N 3 1 357.502 0.848 50 0 FCAAMP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000072151820 1219207877 /nfs/dbraw/zinc/20/78/77/1219207877.db2.gz UQIAEUGEXADDNJ-SFHVURJKSA-N 3 1 357.502 0.848 50 0 FCAAMP C1CCC(c2nc3c(c(N4CCO[C@@]5(C4)C[NH2+]CCOC5)n2)C[NH2+]C3)C1 ZINC000072163285 1219214211 /nfs/dbraw/zinc/21/42/11/1219214211.db2.gz LPJMMBNEDDPNQJ-LJQANCHMSA-N 2 1 359.474 0.933 50 0 FCAAMP C[NH+](C)CCN1CCN(c2nc(N3CCC[C@H](O)C3)cc[nH+]2)CCC1=O ZINC001506398444 1264316247 /nfs/dbraw/zinc/31/62/47/1264316247.db2.gz NBSRIIURAYKNEF-HNNXBMFYSA-N 2 1 362.478 0.038 50 0 FCAAMP NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071721574 221355555 /nfs/dbraw/zinc/35/55/55/221355555.db2.gz AAKCGXJNSBFIDR-KRWDZBQOSA-N 2 1 373.501 0.750 50 0 FCAAMP NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071721574 221355558 /nfs/dbraw/zinc/35/55/58/221355558.db2.gz AAKCGXJNSBFIDR-KRWDZBQOSA-N 2 1 373.501 0.750 50 0 FCAAMP COCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071774497 221373422 /nfs/dbraw/zinc/37/34/22/221373422.db2.gz AOEDTRUBIPHAJW-MRXNPFEDSA-N 2 1 366.506 0.110 50 0 FCAAMP COCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071774497 221373425 /nfs/dbraw/zinc/37/34/25/221373425.db2.gz AOEDTRUBIPHAJW-MRXNPFEDSA-N 2 1 366.506 0.110 50 0 FCAAMP COc1cc(C[N@@H+](C)CCO)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095513230 221941831 /nfs/dbraw/zinc/94/18/31/221941831.db2.gz KESNNYCRIDFTCP-QGZVFWFLSA-N 2 1 368.474 0.316 50 0 FCAAMP [NH3+]CC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072147255 488378253 /nfs/dbraw/zinc/37/82/53/488378253.db2.gz ZKBMJRRRSMCBFL-MRXNPFEDSA-N 2 1 360.458 0.483 50 0 FCAAMP Cn1ccnc1CN1CCN(C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)CC1 ZINC000072426318 488380538 /nfs/dbraw/zinc/38/05/38/488380538.db2.gz WOWVCDMSKZUGBE-MRXNPFEDSA-N 2 1 360.506 0.138 50 0 FCAAMP CN1C[C@@H]([NH3+])C[C@H]1C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082097126 488445616 /nfs/dbraw/zinc/44/56/16/488445616.db2.gz VRBRSRFOUOBMLT-KSSFIOAISA-N 2 1 360.506 0.679 50 0 FCAAMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1C ZINC000241653361 488459505 /nfs/dbraw/zinc/45/95/05/488459505.db2.gz PUMKDNLVIBSQGR-KLHDSHLOSA-N 2 1 352.523 0.925 50 0 FCAAMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@H]2C)CC[NH+]1C ZINC000241653362 488459694 /nfs/dbraw/zinc/45/96/94/488459694.db2.gz PUMKDNLVIBSQGR-QKPAOTATSA-N 2 1 352.523 0.925 50 0 FCAAMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1C ZINC000241653362 488459696 /nfs/dbraw/zinc/45/96/96/488459696.db2.gz PUMKDNLVIBSQGR-QKPAOTATSA-N 2 1 352.523 0.925 50 0 FCAAMP C[C@@H]1[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@H]2C)CC[N@H+]1C ZINC000241653362 488459698 /nfs/dbraw/zinc/45/96/98/488459698.db2.gz PUMKDNLVIBSQGR-QKPAOTATSA-N 2 1 352.523 0.925 50 0 FCAAMP O[C@H]1C[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1N1CCOCC1 ZINC000243892586 488460213 /nfs/dbraw/zinc/46/02/13/488460213.db2.gz AJHSHAHDKHFGCQ-SFTDATJTSA-N 2 1 374.529 0.182 50 0 FCAAMP O[C@H]1C[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1N1CCOCC1 ZINC000243892586 488460215 /nfs/dbraw/zinc/46/02/15/488460215.db2.gz AJHSHAHDKHFGCQ-SFTDATJTSA-N 2 1 374.529 0.182 50 0 FCAAMP Cc1nnc([C@H]2CC[N@H+](C3CCOCC3)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169782919 666586276 /nfs/dbraw/zinc/58/62/76/666586276.db2.gz FYEHVRVSRFFUHR-LSDHHAIUSA-N 2 1 350.467 0.128 50 0 FCAAMP Cc1nnc([C@H]2CC[N@@H+](C3CCOCC3)C[C@H]2NC(=O)C[NH+](C)C)[nH]1 ZINC000169782919 666586278 /nfs/dbraw/zinc/58/62/78/666586278.db2.gz FYEHVRVSRFFUHR-LSDHHAIUSA-N 2 1 350.467 0.128 50 0 FCAAMP C[N@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC000581802309 1181811843 /nfs/dbraw/zinc/81/18/43/1181811843.db2.gz DFTAUZIKHSNNAU-SFHVURJKSA-N 3 1 364.534 0.726 50 0 FCAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCc4nc[nH]c(=O)c4C3)C2)CC1 ZINC000299790877 1183502566 /nfs/dbraw/zinc/50/25/66/1183502566.db2.gz CGGFZXZIWQYYSI-AWEZNQCLSA-N 2 1 359.474 0.873 50 0 FCAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCc4nc[nH]c(=O)c4C3)C2)CC1 ZINC000299790877 1183502573 /nfs/dbraw/zinc/50/25/73/1183502573.db2.gz CGGFZXZIWQYYSI-AWEZNQCLSA-N 2 1 359.474 0.873 50 0 FCAAMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1C[NH+](C)C ZINC000169791077 1196784008 /nfs/dbraw/zinc/78/40/08/1196784008.db2.gz AWSATDWGCMCJJP-SJLPKXTDSA-N 2 1 356.474 0.765 50 0 FCAAMP COc1ccc2[nH]c(=O)c(C[N@@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc2c1 ZINC000067840324 221291950 /nfs/dbraw/zinc/29/19/50/221291950.db2.gz UKEFIALXJUMINW-OALUTQOASA-N 2 1 372.469 0.329 50 0 FCAAMP COc1ccc2[nH]c(=O)c(C[N@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc2c1 ZINC000067840324 221291953 /nfs/dbraw/zinc/29/19/53/221291953.db2.gz UKEFIALXJUMINW-OALUTQOASA-N 2 1 372.469 0.329 50 0 FCAAMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071639237 221353375 /nfs/dbraw/zinc/35/33/75/221353375.db2.gz JLOMSGHLXLXKOX-QGZVFWFLSA-N 2 1 373.501 0.620 50 0 FCAAMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071750212 221361702 /nfs/dbraw/zinc/36/17/02/221361702.db2.gz OZEGZSOLXDQOID-MRXNPFEDSA-N 2 1 373.501 0.620 50 0 FCAAMP O=C([C@@H]1CN(C2CC[NH+](Cc3cccnc3)CC2)CC[NH2+]1)N1CCCC1 ZINC000072168249 488378979 /nfs/dbraw/zinc/37/89/79/488378979.db2.gz CACVVUTZBASEHK-IBGZPJMESA-N 2 1 357.502 0.942 50 0 FCAAMP C[N@H+]1CC2(C[C@@H]1C(=O)N1CCC(Nc3ncccn3)CC1)CC[NH2+]CC2 ZINC000072421832 488380378 /nfs/dbraw/zinc/38/03/78/488380378.db2.gz NPMLAEPLGYGIPA-MRXNPFEDSA-N 2 1 358.490 0.953 50 0 FCAAMP CC[NH+]1CCC([NH+]2CCC(c3nnc(CN(C)CCO)n3C)CC2)CC1 ZINC000077423423 488413121 /nfs/dbraw/zinc/41/31/21/488413121.db2.gz QPZKCAWLYZVVEJ-UHFFFAOYSA-N 2 1 364.538 0.903 50 0 FCAAMP OC[C@@]1(O)CC[N@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)C1 ZINC000215165242 488439777 /nfs/dbraw/zinc/43/97/77/488439777.db2.gz YSFKZJDADRCUQR-LJQANCHMSA-N 2 1 350.459 0.717 50 0 FCAAMP OC[C@@]1(O)CC[N@@H+](Cc2ccccc2OCCC[NH+]2CCOCC2)C1 ZINC000215165242 488439780 /nfs/dbraw/zinc/43/97/80/488439780.db2.gz YSFKZJDADRCUQR-LJQANCHMSA-N 2 1 350.459 0.717 50 0 FCAAMP O=C(NCC[N@@H+]1CCC[C@H](CO)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000670455263 493569400 /nfs/dbraw/zinc/56/94/00/493569400.db2.gz TZPJJSVQCQGIOY-INIZCTEOSA-N 2 1 353.507 0.698 50 0 FCAAMP O=C1N(Cc2ccccc2)CCC12CC[NH+](C[C@@]1(O)C[NH2+]CCOC1)CC2 ZINC000077323783 1219714648 /nfs/dbraw/zinc/71/46/48/1219714648.db2.gz XSFVDSXJGKJNNH-NRFANRHFSA-N 2 1 373.497 0.852 50 0 FCAAMP CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000823110185 836512579 /nfs/dbraw/zinc/51/25/79/836512579.db2.gz ILFULVDYDWDSKZ-INIZCTEOSA-N 2 1 357.520 0.629 50 0 FCAAMP CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000823110185 836512584 /nfs/dbraw/zinc/51/25/84/836512584.db2.gz ILFULVDYDWDSKZ-INIZCTEOSA-N 2 1 357.520 0.629 50 0 FCAAMP CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)nn2)C[NH2+]1 ZINC000067649472 221264510 /nfs/dbraw/zinc/26/45/10/221264510.db2.gz LKAGLHHVKVLCPQ-ZACQAIPSSA-N 2 1 370.457 0.161 50 0 FCAAMP COCC(=O)N1CCC[N@H+](C2CCN(c3cc(C)[nH+]c(N)n3)CC2)CC1 ZINC000095382070 132209810 /nfs/dbraw/zinc/20/98/10/132209810.db2.gz OZMVTMNOIMTFSO-UHFFFAOYSA-N 2 1 362.478 0.517 50 0 FCAAMP Cc1[nH+]c(N)nc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c1Cl ZINC000095502510 132212367 /nfs/dbraw/zinc/21/23/67/132212367.db2.gz HQWVSBBJHOUJOC-NSHDSACASA-N 2 1 359.883 0.766 50 0 FCAAMP C[N@H+]1CC2(C[C@H]1C(=O)N1CCN(c3ccccc3)C(=O)C1)CC[NH2+]CC2 ZINC000072424297 136146296 /nfs/dbraw/zinc/14/62/96/136146296.db2.gz NWICKJYRVYJMEF-KRWDZBQOSA-N 2 1 356.470 0.936 50 0 FCAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCC[NH+](C)C)C1 ZINC000072429090 488380712 /nfs/dbraw/zinc/38/07/12/488380712.db2.gz ZZBSQLZQATWBHJ-MRXNPFEDSA-N 2 1 364.538 0.903 50 0 FCAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCC[NH+](C)C)C1 ZINC000072429090 488380713 /nfs/dbraw/zinc/38/07/13/488380713.db2.gz ZZBSQLZQATWBHJ-MRXNPFEDSA-N 2 1 364.538 0.903 50 0 FCAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCCc1nnc(-c3cccnc3)[nH]1)CC[NH2+]CC2 ZINC000072462509 488381451 /nfs/dbraw/zinc/38/14/51/488381451.db2.gz NYPYBSQCISSBJO-OAHLLOKOSA-N 2 1 369.473 0.599 50 0 FCAAMP CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cccc(CC[NH3+])c1)C2 ZINC000091755612 488469224 /nfs/dbraw/zinc/46/92/24/488469224.db2.gz MCDDNFMROLMNPQ-ZWKOTPCHSA-N 2 1 358.486 0.699 50 0 FCAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](CCCn3cnnn3)C2)n1C ZINC000095384723 488483395 /nfs/dbraw/zinc/48/33/95/488483395.db2.gz WCXZATVPDMQQCF-HNNXBMFYSA-N 2 1 370.465 0.625 50 0 FCAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](CCCn3cnnn3)C2)n1C ZINC000095384723 488483398 /nfs/dbraw/zinc/48/33/98/488483398.db2.gz WCXZATVPDMQQCF-HNNXBMFYSA-N 2 1 370.465 0.625 50 0 FCAAMP Cc1cc(C)n(CC[NH2+]Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)c(=O)n1 ZINC000252537236 488518923 /nfs/dbraw/zinc/51/89/23/488518923.db2.gz KTTRIIFBDDWVAE-OKILXGFUSA-N 2 1 357.462 0.781 50 0 FCAAMP Cc1ncc2c(c1-c1noc([C@@H]3CC[N@H+](C)C3)n1)CCN(C(=O)C[NH3+])C2 ZINC000023478413 1181727477 /nfs/dbraw/zinc/72/74/77/1181727477.db2.gz ONLHPQQTXRGENI-GFCCVEGCSA-N 2 1 356.430 0.703 50 0 FCAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(c4nc[nH]n4)CC3)C2)CC1 ZINC000299758731 1191140550 /nfs/dbraw/zinc/14/05/50/1191140550.db2.gz LIINCRPPNJQHLZ-OAHLLOKOSA-N 2 1 361.494 0.260 50 0 FCAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCN(c4nc[nH]n4)CC3)C2)CC1 ZINC000299758731 1191140553 /nfs/dbraw/zinc/14/05/53/1191140553.db2.gz LIINCRPPNJQHLZ-OAHLLOKOSA-N 2 1 361.494 0.260 50 0 FCAAMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2nncn2CCc2ccccc2)C1 ZINC000065499477 1210116150 /nfs/dbraw/zinc/11/61/50/1210116150.db2.gz MCEQSZDVJFUMPP-VQIMIIECSA-N 2 1 354.458 0.288 50 0 FCAAMP CN(C)C(=O)CN1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H](O)C1 ZINC000299779691 223093861 /nfs/dbraw/zinc/09/38/61/223093861.db2.gz ALAFWITZIKPTJQ-WOJBJXKFSA-N 2 1 374.529 0.764 50 0 FCAAMP NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071721573 221355882 /nfs/dbraw/zinc/35/58/82/221355882.db2.gz AAKCGXJNSBFIDR-QGZVFWFLSA-N 2 1 373.501 0.750 50 0 FCAAMP NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071721573 221355885 /nfs/dbraw/zinc/35/58/85/221355885.db2.gz AAKCGXJNSBFIDR-QGZVFWFLSA-N 2 1 373.501 0.750 50 0 FCAAMP [NH3+]CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000071776737 221374600 /nfs/dbraw/zinc/37/46/00/221374600.db2.gz YLTYMMFIQXAZLV-QGZVFWFLSA-N 2 1 358.486 0.965 50 0 FCAAMP Nc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cc[nH+]1 ZINC000071404049 136139030 /nfs/dbraw/zinc/13/90/30/136139030.db2.gz DKWOEPPSKZJBRD-HNNXBMFYSA-N 2 1 374.489 0.598 50 0 FCAAMP Nc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cc[nH+]1 ZINC000071404049 136139031 /nfs/dbraw/zinc/13/90/31/136139031.db2.gz DKWOEPPSKZJBRD-HNNXBMFYSA-N 2 1 374.489 0.598 50 0 FCAAMP Cc1nn2cc(CCNC(=O)[C@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)nc2s1 ZINC000072410028 488379973 /nfs/dbraw/zinc/37/99/73/488379973.db2.gz SZUBYBMXKGNARQ-CQSZACIVSA-N 2 1 362.503 0.832 50 0 FCAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCCc1nnc(-c3cccnc3)[nH]1)CC[NH2+]CC2 ZINC000072462510 488381433 /nfs/dbraw/zinc/38/14/33/488381433.db2.gz NYPYBSQCISSBJO-HNNXBMFYSA-N 2 1 369.473 0.599 50 0 FCAAMP C[C@H]1C[C@H](N(C)C(=O)CN2CCNCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000237560591 488456216 /nfs/dbraw/zinc/45/62/16/488456216.db2.gz KRGRLKKHONVDAB-FUHWJXTLSA-N 2 1 358.486 0.930 50 0 FCAAMP COc1cccc(C(=O)N2CCN3CC[N@@H+](C)C[C@@H]3C2)c1OCCC[NH3+] ZINC000426525991 489572931 /nfs/dbraw/zinc/57/29/31/489572931.db2.gz FJQBPTWTWMKWKE-OAHLLOKOSA-N 2 1 362.474 0.495 50 0 FCAAMP CCCC[N@H+]1CCn2nc(CNC(=O)CN3CC[NH+](CC)CC3)cc2C1 ZINC000299801390 528487498 /nfs/dbraw/zinc/48/74/98/528487498.db2.gz XPUOKVMAVMRRRE-UHFFFAOYSA-N 2 1 362.522 0.753 50 0 FCAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCCO)c2)CC1 ZINC000020254927 675435044 /nfs/dbraw/zinc/43/50/44/675435044.db2.gz NFNNULWQPXYPKC-SFHVURJKSA-N 2 1 351.491 0.536 50 0 FCAAMP Cn1cccc1C[N@H+]1CCc2nc(N3CC[NH+](C)CC3)[nH]c(=O)c2CC1 ZINC000169757524 1196780303 /nfs/dbraw/zinc/78/03/03/1196780303.db2.gz LZZZBSWMAZJYFV-UHFFFAOYSA-N 2 1 356.474 0.461 50 0 FCAAMP