smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CC[NH+](CCCNC(=O)c2ccc(CC3CCN(C(C)=O)CC3)cc2)CC1 ZINC000581806209 1078782117 /nfs/dbraw/zinc/78/21/17/1078782117.db2.gz WDGNBHSFFHPHAF-UHFFFAOYSA-N 1 1 414.594 2.245 50 0 HEAAMO COc1cccc(S(=O)(=O)N2CC(c3noc([C@H]4CCC[N@H+]4CC4CC4)n3)C2)c1 ZINC000575541403 1076333440 /nfs/dbraw/zinc/33/34/40/1076333440.db2.gz CMCQNYYBPFZXLZ-GOSISDBHSA-N 1 1 418.519 2.413 50 0 HEAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C2CCC2)c1 ZINC000005199819 132303894 /nfs/dbraw/zinc/30/38/94/132303894.db2.gz LVFSSENAXVCICE-UHFFFAOYSA-N 1 1 408.568 2.208 50 0 HEAAMO COc1ccccc1N1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000010178098 132345505 /nfs/dbraw/zinc/34/55/05/132345505.db2.gz YVLNUAKGZAXJSL-UHFFFAOYSA-N 1 1 408.546 2.162 50 0 HEAAMO O[C@H]1CCC[N@H+](C2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)C1 ZINC000012457524 132360879 /nfs/dbraw/zinc/36/08/79/132360879.db2.gz RBFYJKKVLSSSEM-AWEZNQCLSA-N 1 1 415.523 2.112 50 0 HEAAMO COc1cccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000023224728 132479460 /nfs/dbraw/zinc/47/94/60/132479460.db2.gz BFWSUMOFDJVYAD-GOSISDBHSA-N 1 1 404.482 2.413 50 0 HEAAMO CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)c(F)c1 ZINC000032863581 518349678 /nfs/dbraw/zinc/34/96/78/518349678.db2.gz ZKMCWKAZQCKEKD-IBGZPJMESA-N 1 1 420.529 2.217 50 0 HEAAMO CC[C@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)[N@H+]1CCc2ccccc2C1 ZINC000032446656 522172614 /nfs/dbraw/zinc/17/26/14/522172614.db2.gz WMZHAQJAOUDGBH-HXUWFJFHSA-N 1 1 407.580 2.001 50 0 HEAAMO O=C(NCCc1ccccn1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020535175 526435569 /nfs/dbraw/zinc/43/55/69/526435569.db2.gz DYGURCZQSKEDMY-UHFFFAOYSA-N 1 1 405.502 2.360 50 0 HEAAMO O=c1n(CC[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccn21 ZINC000032778032 527494067 /nfs/dbraw/zinc/49/40/67/527494067.db2.gz WDGALDBVWBOZEE-UHFFFAOYSA-N 1 1 406.412 2.122 50 0 HEAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Br)cc1F ZINC000032333732 527667349 /nfs/dbraw/zinc/66/73/49/527667349.db2.gz RWQAUWOYDWGQSS-UHFFFAOYSA-N 1 1 422.302 2.320 50 0 HEAAMO C[NH+]1CCN(c2nc3c(c(N4CCCCC4)n2)CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034676709 557363890 /nfs/dbraw/zinc/36/38/90/557363890.db2.gz MXFWGSPGKJFHEG-UHFFFAOYSA-N 1 1 420.561 2.417 50 0 HEAAMO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)COc3cccc4ccccc43)CC2)no1 ZINC000022843011 557841080 /nfs/dbraw/zinc/84/10/80/557841080.db2.gz IVCMHWHJBKNPTE-LJQANCHMSA-N 1 1 424.501 2.132 50 0 HEAAMO CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1=O ZINC000010462183 558258051 /nfs/dbraw/zinc/25/80/51/558258051.db2.gz GHBWITPLVHCTIR-GOSISDBHSA-N 1 1 400.523 2.051 50 0 HEAAMO COc1cc(C[NH2+]CCc2ccncc2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000011816522 558279841 /nfs/dbraw/zinc/27/98/41/558279841.db2.gz URUABZVFPWIBGT-HXUWFJFHSA-N 1 1 417.575 2.211 50 0 HEAAMO COC[C@H]1CCCCN1Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000019794418 558283647 /nfs/dbraw/zinc/28/36/47/558283647.db2.gz LWQSUBNLQGVVIC-MRXNPFEDSA-N 1 1 405.568 2.174 50 0 HEAAMO COCCn1c(CN2CC[N@H+]3CCC[C@@H]3C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000019812742 558287159 /nfs/dbraw/zinc/28/71/59/558287159.db2.gz PTICXFDQBOWNEO-LJQANCHMSA-N 1 1 424.611 2.164 50 0 HEAAMO COc1cc2c(cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1)oc1ccccc12 ZINC000019849743 558295348 /nfs/dbraw/zinc/29/53/48/558295348.db2.gz GBFGGLXHSOARSB-UHFFFAOYSA-N 1 1 411.458 2.372 50 0 HEAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011909062 558296081 /nfs/dbraw/zinc/29/60/81/558296081.db2.gz HAUOZJMNEZPXKP-GOSISDBHSA-N 1 1 413.522 2.331 50 0 HEAAMO C[NH+]1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019897194 558303746 /nfs/dbraw/zinc/30/37/46/558303746.db2.gz CPKPQVAYASDKLA-UHFFFAOYSA-N 1 1 407.923 2.309 50 0 HEAAMO COCc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)o1 ZINC000020449730 558364755 /nfs/dbraw/zinc/36/47/55/558364755.db2.gz VWSAAAAKZHJLDM-UHFFFAOYSA-N 1 1 423.517 2.357 50 0 HEAAMO COCc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)o1 ZINC000020449730 558364756 /nfs/dbraw/zinc/36/47/56/558364756.db2.gz VWSAAAAKZHJLDM-UHFFFAOYSA-N 1 1 423.517 2.357 50 0 HEAAMO Cc1ccc(N([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000020472258 558374151 /nfs/dbraw/zinc/37/41/51/558374151.db2.gz AUZKEQUELQTDMV-LJQANCHMSA-N 1 1 415.559 2.494 50 0 HEAAMO COc1cc2oc(=O)c(CC(=O)NCCC[NH+]3CCOCC3)c(C)c2cc1Cl ZINC000020533642 558385267 /nfs/dbraw/zinc/38/52/67/558385267.db2.gz KKICCJKOWBXLPF-UHFFFAOYSA-N 1 1 408.882 2.144 50 0 HEAAMO Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CC[NH+](C)CC4)c12)OC(C)(C)CC3 ZINC000020624167 558394630 /nfs/dbraw/zinc/39/46/30/558394630.db2.gz FNFKSHQHJRGFAQ-UHFFFAOYSA-N 1 1 400.475 2.358 50 0 HEAAMO COc1ccc(F)c(C[N@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1 ZINC000020783335 558413131 /nfs/dbraw/zinc/41/31/31/558413131.db2.gz WGFICUJCSHDXLK-UHFFFAOYSA-N 1 1 413.453 2.050 50 0 HEAAMO COc1ccc(F)c(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1 ZINC000020783335 558413133 /nfs/dbraw/zinc/41/31/33/558413133.db2.gz WGFICUJCSHDXLK-UHFFFAOYSA-N 1 1 413.453 2.050 50 0 HEAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)ccc1O ZINC000020998612 558427336 /nfs/dbraw/zinc/42/73/36/558427336.db2.gz ZSBBWBMHTNMIEW-OAHLLOKOSA-N 1 1 401.511 2.274 50 0 HEAAMO COCC[NH+]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)CC1 ZINC000022931825 558524458 /nfs/dbraw/zinc/52/44/58/558524458.db2.gz KKPJLXBRVFTMIN-UHFFFAOYSA-N 1 1 410.518 2.450 50 0 HEAAMO COC(=O)C1C(C[N@@H+]2CCC[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566283 558541271 /nfs/dbraw/zinc/54/12/71/558541271.db2.gz KSWFRTPPWGGEKZ-ORAYPTAESA-N 1 1 403.479 2.217 50 0 HEAAMO COC(=O)C1C(C[N@H+]2CCC[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566283 558541272 /nfs/dbraw/zinc/54/12/72/558541272.db2.gz KSWFRTPPWGGEKZ-ORAYPTAESA-N 1 1 403.479 2.217 50 0 HEAAMO COC(=O)C1=C(C[N@@H+]2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566283 558541276 /nfs/dbraw/zinc/54/12/76/558541276.db2.gz KSWFRTPPWGGEKZ-ORAYPTAESA-N 1 1 403.479 2.217 50 0 HEAAMO COC(=O)C1=C(C[N@H+]2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566283 558541278 /nfs/dbraw/zinc/54/12/78/558541278.db2.gz KSWFRTPPWGGEKZ-ORAYPTAESA-N 1 1 403.479 2.217 50 0 HEAAMO CCn1nc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2c1=O ZINC000023805100 558576373 /nfs/dbraw/zinc/57/63/73/558576373.db2.gz XAVYDIREZHNPSI-UHFFFAOYSA-N 1 1 406.486 2.179 50 0 HEAAMO C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccc(Br)cc1 ZINC000014085607 558618685 /nfs/dbraw/zinc/61/86/85/558618685.db2.gz LBCMIYVEDOELFY-UHFFFAOYSA-N 1 1 420.307 2.459 50 0 HEAAMO C[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccc(Br)cc1 ZINC000014085607 558618688 /nfs/dbraw/zinc/61/86/88/558618688.db2.gz LBCMIYVEDOELFY-UHFFFAOYSA-N 1 1 420.307 2.459 50 0 HEAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000027132027 558669874 /nfs/dbraw/zinc/66/98/74/558669874.db2.gz BNFLHDKYATVXAM-MRXNPFEDSA-N 1 1 411.568 2.321 50 0 HEAAMO C[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297205 558671759 /nfs/dbraw/zinc/67/17/59/558671759.db2.gz ATUAIHKPVRBESQ-UHFFFAOYSA-N 1 1 414.428 2.179 50 0 HEAAMO C[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297205 558671761 /nfs/dbraw/zinc/67/17/61/558671761.db2.gz ATUAIHKPVRBESQ-UHFFFAOYSA-N 1 1 414.428 2.179 50 0 HEAAMO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1cccc(OC)c1OC)CC2 ZINC000014882025 558676489 /nfs/dbraw/zinc/67/64/89/558676489.db2.gz SUVDPMBRIAUYAO-OAHLLOKOSA-N 1 1 401.511 2.016 50 0 HEAAMO O[C@H](COc1cccc(CNCc2ccc(F)cc2F)c1)C[NH+]1CCC(O)CC1 ZINC000015077477 558717167 /nfs/dbraw/zinc/71/71/67/558717167.db2.gz KOWFBKKCEVLLFO-FQEVSTJZSA-N 1 1 406.473 2.451 50 0 HEAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH+]1 ZINC000015671266 558748319 /nfs/dbraw/zinc/74/83/19/558748319.db2.gz ACGIIGIXJWPVID-UHFFFAOYSA-N 1 1 405.499 2.035 50 0 HEAAMO Cc1nc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc(N2CCOCC2)[nH+]1 ZINC000033318543 558766307 /nfs/dbraw/zinc/76/63/07/558766307.db2.gz UBPINGSVCSKEEX-UHFFFAOYSA-N 1 1 400.458 2.115 50 0 HEAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016033596 558769404 /nfs/dbraw/zinc/76/94/04/558769404.db2.gz OASZSDRWHDSHDS-QPXQOZNCSA-N 1 1 421.428 2.266 50 0 HEAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016033596 558769407 /nfs/dbraw/zinc/76/94/07/558769407.db2.gz OASZSDRWHDSHDS-QPXQOZNCSA-N 1 1 421.428 2.266 50 0 HEAAMO CC(C)c1nnc(CCC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000072309545 558773541 /nfs/dbraw/zinc/77/35/41/558773541.db2.gz DHJUODZKSJAQOJ-UHFFFAOYSA-N 1 1 409.531 2.185 50 0 HEAAMO Cc1ccc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000035422010 558791550 /nfs/dbraw/zinc/79/15/50/558791550.db2.gz YTMDZKKQCBUIOP-UHFFFAOYSA-N 1 1 400.567 2.135 50 0 HEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000046960626 558841387 /nfs/dbraw/zinc/84/13/87/558841387.db2.gz DHTQHYOARHEAEV-IAGOWNOFSA-N 1 1 413.609 2.387 50 0 HEAAMO CC1CCC(NS(=O)(=O)CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000060370498 558890679 /nfs/dbraw/zinc/89/06/79/558890679.db2.gz QZLYRMQVTKNLTO-UUKMXZOPSA-N 1 1 407.580 2.265 50 0 HEAAMO CCC(CC)[C@@H](CNC(=O)c1ccc(OCC(=O)OC)c(OC)c1)[NH+]1CCOCC1 ZINC000057994900 558893444 /nfs/dbraw/zinc/89/34/44/558893444.db2.gz KDRJBGRENSGWJX-GOSISDBHSA-N 1 1 422.522 2.114 50 0 HEAAMO Cn1c2ccccc2nc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)c1=O ZINC000033171780 558900477 /nfs/dbraw/zinc/90/04/77/558900477.db2.gz UPWRKDXTIDJQLX-UHFFFAOYSA-N 1 1 406.486 2.053 50 0 HEAAMO Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000071747780 558908720 /nfs/dbraw/zinc/90/87/20/558908720.db2.gz XIKFJTYABRNAAO-HXUWFJFHSA-N 1 1 410.566 2.448 50 0 HEAAMO Cc1cccc2c1ncn(CC(=O)N1CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)c2=O ZINC000058227333 558913668 /nfs/dbraw/zinc/91/36/68/558913668.db2.gz KYNSSMPCAJMAEK-HDICACEKSA-N 1 1 412.534 2.053 50 0 HEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033254513 558918374 /nfs/dbraw/zinc/91/83/74/558918374.db2.gz GHADYKVDXMDJHJ-GOSISDBHSA-N 1 1 407.580 2.468 50 0 HEAAMO Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000021917211 558972319 /nfs/dbraw/zinc/97/23/19/558972319.db2.gz NTRALWMUZXYZDM-UHFFFAOYSA-N 1 1 420.513 2.205 50 0 HEAAMO O=C(c1cc2ccccc2oc1=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072437788 558981199 /nfs/dbraw/zinc/98/11/99/558981199.db2.gz ZCCSLSZWPZGODR-UHFFFAOYSA-N 1 1 405.458 2.146 50 0 HEAAMO O=C(Nc1cccc(Cl)c1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072437798 558981216 /nfs/dbraw/zinc/98/12/16/558981216.db2.gz SBULAARJBLSAKG-UHFFFAOYSA-N 1 1 402.886 2.321 50 0 HEAAMO C[N@@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)C1CCSCC1 ZINC000077421522 559004589 /nfs/dbraw/zinc/00/45/89/559004589.db2.gz WSJRVTLJIDWNOT-UHFFFAOYSA-N 1 1 415.515 2.361 50 0 HEAAMO C[N@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)C[C@@H]1CCCCO1 ZINC000077489618 559007348 /nfs/dbraw/zinc/00/73/48/559007348.db2.gz IKVIGOAMNSLMJZ-KRWDZBQOSA-N 1 1 413.474 2.035 50 0 HEAAMO CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)[C@H](N)c3ccccc3)CC2)OC1=O ZINC000077524717 559008348 /nfs/dbraw/zinc/00/83/48/559008348.db2.gz LQCPYEUQTBOKAV-HXUWFJFHSA-N 1 1 416.566 2.478 50 0 HEAAMO CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)[C@H](N)c3ccccc3)CC2)OC1=O ZINC000077524717 559008351 /nfs/dbraw/zinc/00/83/51/559008351.db2.gz LQCPYEUQTBOKAV-HXUWFJFHSA-N 1 1 416.566 2.478 50 0 HEAAMO CCc1nc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)no1 ZINC000082108814 559038784 /nfs/dbraw/zinc/03/87/84/559038784.db2.gz VBBJDXFRKGPYJE-QGZVFWFLSA-N 1 1 412.538 2.020 50 0 HEAAMO CN(CCC(C)(C)O)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082109115 559038889 /nfs/dbraw/zinc/03/88/89/559038889.db2.gz MZNYMLAVYBKZAM-HXUWFJFHSA-N 1 1 402.583 2.377 50 0 HEAAMO CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082120914 559039562 /nfs/dbraw/zinc/03/95/62/559039562.db2.gz YGTQRBMYAVGRQM-NRFANRHFSA-N 1 1 410.566 2.150 50 0 HEAAMO Cc1noc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000082127019 559039805 /nfs/dbraw/zinc/03/98/05/559039805.db2.gz ARWHPZQYNRAWQT-IBGZPJMESA-N 1 1 412.538 2.108 50 0 HEAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000082139071 559040676 /nfs/dbraw/zinc/04/06/76/559040676.db2.gz PZKXVESXEKVTAR-GOSISDBHSA-N 1 1 407.518 2.110 50 0 HEAAMO O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082147579 559041004 /nfs/dbraw/zinc/04/10/04/559041004.db2.gz PESWYJVKPYTECH-HXUWFJFHSA-N 1 1 400.567 2.179 50 0 HEAAMO O=C(c1ncoc1C1CC1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082148142 559041036 /nfs/dbraw/zinc/04/10/36/559041036.db2.gz QEBCNFLJCUSIOA-QGZVFWFLSA-N 1 1 400.523 2.491 50 0 HEAAMO Cc1cc(C)nc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082157050 559041518 /nfs/dbraw/zinc/04/15/18/559041518.db2.gz 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ZINC000017178507 569276270 /nfs/dbraw/zinc/27/62/70/569276270.db2.gz QSRXFSSKEIZYGD-IBGZPJMESA-N 1 1 403.429 2.483 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1 ZINC000096386271 569279467 /nfs/dbraw/zinc/27/94/67/569279467.db2.gz KNJLNEWDIWODLI-UHFFFAOYSA-N 1 1 411.477 2.367 50 0 HEAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000002106966 569283104 /nfs/dbraw/zinc/28/31/04/569283104.db2.gz PFFAEGXDXRLPED-ZDUSSCGKSA-N 1 1 419.478 2.147 50 0 biogenic HEAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@H+]1CCCC[C@H]1CCO ZINC000002106966 569283105 /nfs/dbraw/zinc/28/31/05/569283105.db2.gz PFFAEGXDXRLPED-ZDUSSCGKSA-N 1 1 419.478 2.147 50 0 biogenic HEAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000252458609 569286593 /nfs/dbraw/zinc/28/65/93/569286593.db2.gz WRNATTFOYCJVFZ-ROUUACIJSA-N 1 1 401.459 2.409 50 0 HEAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000252458609 569286594 /nfs/dbraw/zinc/28/65/94/569286594.db2.gz WRNATTFOYCJVFZ-ROUUACIJSA-N 1 1 401.459 2.409 50 0 HEAAMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)C1=O ZINC000252457237 569286600 /nfs/dbraw/zinc/28/66/00/569286600.db2.gz PTSSSUCMKKAMLV-WMZHIEFXSA-N 1 1 406.486 2.494 50 0 HEAAMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)C1=O ZINC000252457237 569286601 /nfs/dbraw/zinc/28/66/01/569286601.db2.gz PTSSSUCMKKAMLV-WMZHIEFXSA-N 1 1 406.486 2.494 50 0 HEAAMO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000252587539 569294874 /nfs/dbraw/zinc/29/48/74/569294874.db2.gz YZNYCCKMSMJLHZ-MSOLQXFVSA-N 1 1 424.586 2.273 50 0 HEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000007731111 569304434 /nfs/dbraw/zinc/30/44/34/569304434.db2.gz ULKDOWBJUAAXIX-UHFFFAOYSA-N 1 1 412.509 2.349 50 0 HEAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404727 569365843 /nfs/dbraw/zinc/36/58/43/569365843.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 1 1 423.561 2.408 50 0 HEAAMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000253404727 569365845 /nfs/dbraw/zinc/36/58/45/569365845.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 1 1 423.561 2.408 50 0 HEAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000253404727 569365846 /nfs/dbraw/zinc/36/58/46/569365846.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 1 1 423.561 2.408 50 0 HEAAMO COc1ccc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)c(OC)c1 ZINC000253403914 569365862 /nfs/dbraw/zinc/36/58/62/569365862.db2.gz HOGZIOVYJSHYEI-KRWDZBQOSA-N 1 1 416.474 2.356 50 0 biogenic HEAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000002305133 569372399 /nfs/dbraw/zinc/37/23/99/569372399.db2.gz SNOGJORBRPMELU-UHFFFAOYSA-N 1 1 407.854 2.385 50 0 HEAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979057 569372868 /nfs/dbraw/zinc/37/28/68/569372868.db2.gz NRCBVDHSKSENFU-IBGZPJMESA-N 1 1 401.463 2.318 50 0 HEAAMO O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000013371284 569412949 /nfs/dbraw/zinc/41/29/49/569412949.db2.gz WWKAIHYMJOGGKI-ROUUACIJSA-N 1 1 413.948 2.112 50 0 HEAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(Br)ccc1-n1cnnn1 ZINC000079193471 569429517 /nfs/dbraw/zinc/42/95/17/569429517.db2.gz VCAFVKVZUMCCOR-XJKSGUPXSA-N 1 1 419.327 2.419 50 0 biogenic HEAAMO CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCCC[NH+]1CCOCC1 ZINC000019792126 569429783 /nfs/dbraw/zinc/42/97/83/569429783.db2.gz ZAFDPXPGYCCVNA-UHFFFAOYSA-N 1 1 401.463 2.332 50 0 HEAAMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000079492753 569432501 /nfs/dbraw/zinc/43/25/01/569432501.db2.gz ITSZOWJGWMHTQD-INIZCTEOSA-N 1 1 410.474 2.270 50 0 HEAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000067287344 571065261 /nfs/dbraw/zinc/06/52/61/571065261.db2.gz UYIMEBOAOBOGHN-GOSISDBHSA-N 1 1 406.914 2.149 50 0 HEAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c(=O)c2C1 ZINC000067291862 571068212 /nfs/dbraw/zinc/06/82/12/571068212.db2.gz ZQBIUALBRPUWFG-UHFFFAOYSA-N 1 1 416.503 2.452 50 0 HEAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c(=O)c2C1 ZINC000067291862 571068214 /nfs/dbraw/zinc/06/82/14/571068214.db2.gz ZQBIUALBRPUWFG-UHFFFAOYSA-N 1 1 416.503 2.452 50 0 HEAAMO CCN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1cccc(Cl)c1)c3=O ZINC000008704216 571102908 /nfs/dbraw/zinc/10/29/08/571102908.db2.gz MSJXXKORSFYORJ-GFCCVEGCSA-N 1 1 400.870 2.375 50 0 HEAAMO CCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000008724574 571107741 /nfs/dbraw/zinc/10/77/41/571107741.db2.gz SVEYAYJKYFAWEE-UHFFFAOYSA-N 1 1 402.458 2.314 50 0 HEAAMO CCOCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C ZINC000008724921 571107877 /nfs/dbraw/zinc/10/78/77/571107877.db2.gz JVEFRQJYCKPUJI-INIZCTEOSA-N 1 1 424.505 2.047 50 0 HEAAMO CN1CC[NH+](CCCNC(=O)[C@H]2CCCN(c3nccc4sccc43)C2)CC1 ZINC000033174361 571315853 /nfs/dbraw/zinc/31/58/53/571315853.db2.gz LNDFXZBWRPZMPS-KRWDZBQOSA-N 1 1 401.580 2.266 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1CCCc2nc(-c3ccccc3)ncc2C1=O ZINC000581787511 1078760881 /nfs/dbraw/zinc/76/08/81/1078760881.db2.gz NUQRLPFITFVKGQ-SFHVURJKSA-N 1 1 407.518 2.133 50 0 HEAAMO CCC[N@@H+](C)CC1(O)CCC2(CCN(S(=O)(=O)c3cnn(CC)c3)CC2)CC1 ZINC000581791340 1078774512 /nfs/dbraw/zinc/77/45/12/1078774512.db2.gz ZVTZYJYHHQEADO-UHFFFAOYSA-N 1 1 412.600 2.321 50 0 HEAAMO COCCn1c(C)c[nH+]c1C[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000581806362 1078782618 /nfs/dbraw/zinc/78/26/18/1078782618.db2.gz PXASZFZXSUGLGQ-AWEZNQCLSA-N 1 1 421.548 2.096 50 0 HEAAMO COCCn1c(C)c[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2cccc(OC)c2)C1 ZINC000581815870 1078786521 /nfs/dbraw/zinc/78/65/21/1078786521.db2.gz JTBDALPANXMARN-KRWDZBQOSA-N 1 1 407.536 2.490 50 0 HEAAMO COc1ccc(C(=O)N2CC[C@@H]3COCC[N@H+](Cc4ccncc4)[C@@H]3C2)c(OC)c1 ZINC000575313265 1076219184 /nfs/dbraw/zinc/21/91/84/1076219184.db2.gz FBNGKWYZIIOWJM-WIYYLYMNSA-N 1 1 411.502 2.462 50 0 HEAAMO COc1ccc(C(=O)N2CC[C@@H]3COCC[N@@H+](Cc4ccncc4)[C@@H]3C2)c(OC)c1 ZINC000575313265 1076219197 /nfs/dbraw/zinc/21/91/97/1076219197.db2.gz FBNGKWYZIIOWJM-WIYYLYMNSA-N 1 1 411.502 2.462 50 0 HEAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCN1CCCc2ccccc21 ZINC000011937788 132352363 /nfs/dbraw/zinc/35/23/63/132352363.db2.gz KZBQXKZOZPZMCS-NRFANRHFSA-N 1 1 400.567 2.182 50 0 HEAAMO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012068894 132353321 /nfs/dbraw/zinc/35/33/21/132353321.db2.gz KCHSSNYNBQFEAE-UHFFFAOYSA-N 1 1 416.547 2.136 50 0 HEAAMO O[C@@H]1C[N@H+](C2CSCCSC2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012438707 132360117 /nfs/dbraw/zinc/36/01/17/132360117.db2.gz ADEXLBWPFIJMCJ-WOJBJXKFSA-N 1 1 411.612 2.232 50 0 HEAAMO COc1ccccc1N1CCN(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000012486621 132361149 /nfs/dbraw/zinc/36/11/49/132361149.db2.gz OJYWQYQYQYXQCD-UHFFFAOYSA-N 1 1 422.573 2.470 50 0 HEAAMO Cc1cccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCCC4)c3C2)c1 ZINC000034676700 132794308 /nfs/dbraw/zinc/79/43/08/132794308.db2.gz HSCOATJBWIBYOW-UHFFFAOYSA-N 1 1 420.561 2.336 50 0 HEAAMO COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CC[NH+](CCO)CC2)cc1OC ZINC000020546603 523079602 /nfs/dbraw/zinc/07/96/02/523079602.db2.gz SDQZRYLRAUASDC-UHFFFAOYSA-N 1 1 411.506 2.145 50 0 HEAAMO COc1ccc(-n2ccnc2SCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000024097255 523337190 /nfs/dbraw/zinc/33/71/90/523337190.db2.gz QHTWSCAZMPHRQK-IBGZPJMESA-N 1 1 418.563 2.446 50 0 HEAAMO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CC(C)(C)CN(C)C)C2 ZINC000020539340 523614006 /nfs/dbraw/zinc/61/40/06/523614006.db2.gz ROEJSBYPXDUBRK-MRXNPFEDSA-N 1 1 407.628 2.127 50 0 HEAAMO CN1CCC([N@@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)CC1 ZINC000019742522 558263011 /nfs/dbraw/zinc/26/30/11/558263011.db2.gz MBOUDOXMGOPCSL-NRFANRHFSA-N 1 1 411.550 2.232 50 0 HEAAMO CN1CCC([N@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)CC1 ZINC000019742522 558263013 /nfs/dbraw/zinc/26/30/13/558263013.db2.gz MBOUDOXMGOPCSL-NRFANRHFSA-N 1 1 411.550 2.232 50 0 HEAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1OC ZINC000011839108 558285997 /nfs/dbraw/zinc/28/59/97/558285997.db2.gz JIJOMSRUMOUFDJ-IBGZPJMESA-N 1 1 405.539 2.197 50 0 HEAAMO O[C@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809638 558286335 /nfs/dbraw/zinc/28/63/35/558286335.db2.gz OAVUEWOYZDZZCU-ZWKOTPCHSA-N 1 1 402.466 2.165 50 0 HEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C ZINC000019839239 558293499 /nfs/dbraw/zinc/29/34/99/558293499.db2.gz DXIGVQRDIHPTEX-UHFFFAOYSA-N 1 1 420.517 2.021 50 0 HEAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011879084 558293679 /nfs/dbraw/zinc/29/36/79/558293679.db2.gz MAMZFPMAKBCNQB-LJQANCHMSA-N 1 1 412.534 2.206 50 0 HEAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011879975 558294751 /nfs/dbraw/zinc/29/47/51/558294751.db2.gz BAHRBXSYQLNTBF-NRFANRHFSA-N 1 1 417.594 2.255 50 0 HEAAMO O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019891706 558303254 /nfs/dbraw/zinc/30/32/54/558303254.db2.gz REUMRHNMZVZSCP-UHFFFAOYSA-N 1 1 421.950 2.353 50 0 HEAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011996698 558306824 /nfs/dbraw/zinc/30/68/24/558306824.db2.gz UZBTXGNANGUCPF-FQEVSTJZSA-N 1 1 405.558 2.385 50 0 HEAAMO CSc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012031336 558311383 /nfs/dbraw/zinc/31/13/83/558311383.db2.gz PZESXPQZCLTDAH-SFHVURJKSA-N 1 1 423.608 2.305 50 0 HEAAMO CN(CCC[NH+]1CCOCC1)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000020255883 558352304 /nfs/dbraw/zinc/35/23/04/558352304.db2.gz MZGRLJDYZFWHDR-SFHVURJKSA-N 1 1 407.942 2.259 50 0 HEAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2ccc(F)cc2)cc1 ZINC000020368027 558358842 /nfs/dbraw/zinc/35/88/42/558358842.db2.gz VNOGUNFNCNHSDW-UHFFFAOYSA-N 1 1 419.522 2.099 50 0 HEAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCCC1=O ZINC000012297737 558367872 /nfs/dbraw/zinc/36/78/72/558367872.db2.gz GNVFGZSUNAYYDC-HXUWFJFHSA-N 1 1 401.551 2.421 50 0 HEAAMO Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)[nH]n1 ZINC000012299853 558369718 /nfs/dbraw/zinc/36/97/18/558369718.db2.gz BTSQGMHRSYKPOJ-NRFANRHFSA-N 1 1 405.502 2.220 50 0 HEAAMO Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)[nH]n1 ZINC000012299853 558369721 /nfs/dbraw/zinc/36/97/21/558369721.db2.gz BTSQGMHRSYKPOJ-NRFANRHFSA-N 1 1 405.502 2.220 50 0 HEAAMO CCN1C[C@H](C[N@@H+](C)Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1=O ZINC000012447033 558414629 /nfs/dbraw/zinc/41/46/29/558414629.db2.gz LHZXICLXENKCSU-AWEZNQCLSA-N 1 1 402.495 2.403 50 0 HEAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1O ZINC000020998614 558427284 /nfs/dbraw/zinc/42/72/84/558427284.db2.gz ZSBBWBMHTNMIEW-HNNXBMFYSA-N 1 1 401.511 2.274 50 0 HEAAMO Cc1nc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021795260 558449539 /nfs/dbraw/zinc/44/95/39/558449539.db2.gz HMBUPGJEAAATDM-UHFFFAOYSA-N 1 1 400.458 2.115 50 0 HEAAMO NC(=O)CN1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000012764171 558461614 /nfs/dbraw/zinc/46/16/14/558461614.db2.gz ZHMPHNVIBABZDD-QHCPKHFHSA-N 1 1 404.599 2.079 50 0 HEAAMO CCCCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@H+](CCc2ccccc2)C1 ZINC000023352462 558550898 /nfs/dbraw/zinc/55/08/98/558550898.db2.gz ATHWVHRVBOXMFP-DHIUTWEWSA-N 1 1 400.611 2.331 50 0 HEAAMO CCCCNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@@H+](CCc2ccccc2)C1 ZINC000023352462 558550900 /nfs/dbraw/zinc/55/09/00/558550900.db2.gz ATHWVHRVBOXMFP-DHIUTWEWSA-N 1 1 400.611 2.331 50 0 HEAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[NH+]3CCCCCC3)cc2OC)CC1 ZINC000023360737 558552135 /nfs/dbraw/zinc/55/21/35/558552135.db2.gz FHKPFJAZNCQADV-OAQYLSRUSA-N 1 1 405.583 2.448 50 0 HEAAMO O=C(COc1ccc(F)cc1Br)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023641918 558564305 /nfs/dbraw/zinc/56/43/05/558564305.db2.gz YSXPNTLBJPYWNW-CQSZACIVSA-N 1 1 401.276 2.290 50 0 HEAAMO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@@H+](C(C)C)C1 ZINC000014530605 558655806 /nfs/dbraw/zinc/65/58/06/558655806.db2.gz FTCQCGSAIYBRTM-HXUWFJFHSA-N 1 1 405.539 2.001 50 0 HEAAMO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@H+](C(C)C)C1 ZINC000014530605 558655808 /nfs/dbraw/zinc/65/58/08/558655808.db2.gz FTCQCGSAIYBRTM-HXUWFJFHSA-N 1 1 405.539 2.001 50 0 HEAAMO CC(=O)c1ccc(N2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)CC2)c(F)c1 ZINC000026301998 558658621 /nfs/dbraw/zinc/65/86/21/558658621.db2.gz PMTLUHCMVRZFHH-OAQYLSRUSA-N 1 1 420.529 2.217 50 0 HEAAMO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+]1CCCN(C=O)CC1)C2 ZINC000014755672 558672035 /nfs/dbraw/zinc/67/20/35/558672035.db2.gz XNTSZEYDPJLCKT-IBGZPJMESA-N 1 1 415.582 2.331 50 0 HEAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(OC)c2OC)CC[C@H]1N1CCOCC1 ZINC000014883195 558676864 /nfs/dbraw/zinc/67/68/64/558676864.db2.gz HJFQSTSPLYTYDL-PKOBYXMFSA-N 1 1 406.523 2.180 50 0 HEAAMO COC(=O)CC[C@H]1CN(Cc2cccc(OC)c2OC)CC[C@H]1[NH+]1CCOCC1 ZINC000014883195 558676867 /nfs/dbraw/zinc/67/68/67/558676867.db2.gz HJFQSTSPLYTYDL-PKOBYXMFSA-N 1 1 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/nfs/dbraw/zinc/87/46/87/568874687.db2.gz LPUXITDWBXECGW-HKUYNNGSSA-N 1 1 403.527 2.485 50 0 HEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)[N@@H+](CC=C(C)C)C2)nn1 ZINC000299776780 568874689 /nfs/dbraw/zinc/87/46/89/568874689.db2.gz LPUXITDWBXECGW-HKUYNNGSSA-N 1 1 403.527 2.485 50 0 HEAAMO CC(C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC000058087695 568884082 /nfs/dbraw/zinc/88/40/82/568884082.db2.gz BDAKPUORLKHREZ-FPOVZHCZSA-N 1 1 419.541 2.080 50 0 HEAAMO Cc1c(Cl)ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1Cl ZINC000670448137 568918850 /nfs/dbraw/zinc/91/88/50/568918850.db2.gz IPJYGWJXLIQSQC-GFCCVEGCSA-N 1 1 408.351 2.168 50 0 HEAAMO Cc1c(Cl)ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1Cl ZINC000670448138 568918892 /nfs/dbraw/zinc/91/88/92/568918892.db2.gz IPJYGWJXLIQSQC-LBPRGKRZSA-N 1 1 408.351 2.168 50 0 HEAAMO O=C(CC[NH+]1CCN([C@H]2CCOC2)CC1)Nc1ccc(Br)cc1F ZINC000084340724 568946886 /nfs/dbraw/zinc/94/68/86/568946886.db2.gz WONQJNHABOUJAN-AWEZNQCLSA-N 1 1 400.292 2.323 50 0 HEAAMO O=C(Cc1c[nH]c2ccccc12)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670463567 568961082 /nfs/dbraw/zinc/96/10/82/568961082.db2.gz DBFOJKUIXZQHRI-ISISGCMPSA-N 1 1 400.526 2.394 50 0 HEAAMO O=C(CCCN1c2ccccc2Oc2ncccc2C1=O)NCCC[NH+]1CCOCC1 ZINC000015680031 568967048 /nfs/dbraw/zinc/96/70/48/568967048.db2.gz DGEISNKFADAKTO-UHFFFAOYSA-N 1 1 424.501 2.453 50 0 HEAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000583652902 569009338 /nfs/dbraw/zinc/00/93/38/569009338.db2.gz SKWVAMXOLBQJSB-NHCUHLMSSA-N 1 1 415.582 2.433 50 0 HEAAMO Cc1ccc(NC(=O)CN(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000012855930 569011003 /nfs/dbraw/zinc/01/10/03/569011003.db2.gz VADYYBMUWZBLNG-UHFFFAOYSA-N 1 1 412.509 2.349 50 0 HEAAMO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[N@@H+](C)C3CCCCC3)n2C)c1 ZINC000035561191 569045048 /nfs/dbraw/zinc/04/50/48/569045048.db2.gz NNPZODSQDJWBIY-UHFFFAOYSA-N 1 1 420.579 2.423 50 0 HEAAMO COc1c2c(c(CNC(=O)c3cccc(NC(C)=O)c3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000524729275 569051538 /nfs/dbraw/zinc/05/15/38/569051538.db2.gz MAOWGPISUCGACV-UHFFFAOYSA-N 1 1 411.458 2.300 50 0 HEAAMO CCS(=O)(=O)c1ncc(CN2CC[N@H+]3CCC[C@H]3C2)n1CCc1ccccc1 ZINC000244692021 569055111 /nfs/dbraw/zinc/05/51/11/569055111.db2.gz JNCHFZCFWKARFZ-IBGZPJMESA-N 1 1 402.564 2.199 50 0 HEAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000248177419 569057683 /nfs/dbraw/zinc/05/76/83/569057683.db2.gz AXQSCQPXECAXDX-CADBVGFASA-N 1 1 419.566 2.455 50 0 HEAAMO COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000248177419 569057685 /nfs/dbraw/zinc/05/76/85/569057685.db2.gz AXQSCQPXECAXDX-CADBVGFASA-N 1 1 419.566 2.455 50 0 HEAAMO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCc2ccccc21 ZINC000016694634 569070823 /nfs/dbraw/zinc/07/08/23/569070823.db2.gz GGMIAVRJOUKHHI-FQEVSTJZSA-N 1 1 401.532 2.002 50 0 HEAAMO C[NH+]1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036345622 569143411 /nfs/dbraw/zinc/14/34/11/569143411.db2.gz KJCVOJWYVHOTMF-HXUWFJFHSA-N 1 1 424.476 2.480 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1 ZINC000065210780 569196271 /nfs/dbraw/zinc/19/62/71/569196271.db2.gz MFNYFWPPZWXGSG-UHFFFAOYSA-N 1 1 411.477 2.367 50 0 HEAAMO CCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000036543712 569198119 /nfs/dbraw/zinc/19/81/19/569198119.db2.gz GJKYLCLYBYJDCE-FCHUYYIVSA-N 1 1 404.514 2.436 50 0 HEAAMO C[C@H](NC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000065226856 569200035 /nfs/dbraw/zinc/20/00/35/569200035.db2.gz MREVLQJISVFLNQ-SFHVURJKSA-N 1 1 408.550 2.322 50 0 HEAAMO CCc1ccc(CNC(=O)C2CCN(c3cncnc3N3CC[NH+](C)CC3)CC2)cc1 ZINC000065226930 569200085 /nfs/dbraw/zinc/20/00/85/569200085.db2.gz HUMBIYLHMUSLBO-UHFFFAOYSA-N 1 1 422.577 2.324 50 0 HEAAMO Cc1ccc(-c2nnc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)o2)cc1 ZINC000065229528 569200540 /nfs/dbraw/zinc/20/05/40/569200540.db2.gz UVAHVUQYIIOVQZ-UHFFFAOYSA-N 1 1 413.522 2.100 50 0 HEAAMO O=C(CN1CCN(C(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)CC1)N1CCCC1 ZINC000065239085 569203116 /nfs/dbraw/zinc/20/31/16/569203116.db2.gz ZMXTUYVGVUDSRF-UHFFFAOYSA-N 1 1 416.591 2.387 50 0 HEAAMO CC(C)[C@H](CNC(=O)COc1ccc(CC(N)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000065583842 569236318 /nfs/dbraw/zinc/23/63/18/569236318.db2.gz MWYUBTOJYMCNGC-QFIPXVFZSA-N 1 1 409.530 2.292 50 0 HEAAMO O=C(CCCC[NH+]1CCOCC1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000170619857 569248233 /nfs/dbraw/zinc/24/82/33/569248233.db2.gz IKWFVDCDMPGLAC-LJQANCHMSA-N 1 1 404.511 2.428 50 0 HEAAMO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)C2=O ZINC000089920192 569268626 /nfs/dbraw/zinc/26/86/26/569268626.db2.gz BUBQRGONOBVTEE-WBYLCXCBSA-N 1 1 404.555 2.066 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccco3)CC2)CC1 ZINC000037525600 569303906 /nfs/dbraw/zinc/30/39/06/569303906.db2.gz XSTALTRQTABUIV-UHFFFAOYSA-N 1 1 410.518 2.456 50 0 HEAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)c4cccn4C)CC3)C2)CC1 ZINC000581819876 569320935 /nfs/dbraw/zinc/32/09/35/569320935.db2.gz PQTQVVYAEXTNIP-FQEVSTJZSA-N 1 1 402.583 2.453 50 0 HEAAMO CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253398139 569365394 /nfs/dbraw/zinc/36/53/94/569365394.db2.gz BYMDQAPSCKZZKI-QFBILLFUSA-N 1 1 418.563 2.394 50 0 biogenic HEAAMO CCc1c(C(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)cnn1-c1ccc(OC)nn1 ZINC000040121301 571177180 /nfs/dbraw/zinc/17/71/80/571177180.db2.gz HRWXZCBQYAYXFI-UHFFFAOYSA-N 1 1 418.461 2.052 50 0 HEAAMO NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000040154717 571202076 /nfs/dbraw/zinc/20/20/76/571202076.db2.gz YDOJDTULUOPFGQ-SFHVURJKSA-N 1 1 423.922 2.390 50 0 HEAAMO NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000040154717 571202080 /nfs/dbraw/zinc/20/20/80/571202080.db2.gz YDOJDTULUOPFGQ-SFHVURJKSA-N 1 1 423.922 2.390 50 0 HEAAMO CC(C)(C)CC(=O)N1CCN(c2nc(C[N@@H+]3CCc4ccccc4C3)cc(=O)[nH]2)CC1 ZINC000035926468 571316994 /nfs/dbraw/zinc/31/69/94/571316994.db2.gz WTVSCSIRDMIZNZ-UHFFFAOYSA-N 1 1 423.561 2.413 50 0 HEAAMO CC(C)(C)CC(=O)N1CCN(c2nc(C[N@H+]3CCc4ccccc4C3)cc(=O)[nH]2)CC1 ZINC000035926468 571316995 /nfs/dbraw/zinc/31/69/95/571316995.db2.gz WTVSCSIRDMIZNZ-UHFFFAOYSA-N 1 1 423.561 2.413 50 0 HEAAMO O=C(CCC1CCN(C(=O)c2ccccc2F)CC1)NCCC[NH+]1CCOCC1 ZINC000581774591 1078748917 /nfs/dbraw/zinc/74/89/17/1078748917.db2.gz UYDNZLMMIINWRN-UHFFFAOYSA-N 1 1 405.514 2.297 50 0 HEAAMO CC[N@@H+](CCNC(=O)CN1CCCc2nc(C3CC3)ncc2C1=O)Cc1ccccc1 ZINC000581787585 1078761259 /nfs/dbraw/zinc/76/12/59/1078761259.db2.gz OBKGTMCLBLGHDI-UHFFFAOYSA-N 1 1 421.545 2.381 50 0 HEAAMO C[N@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802827 1078772242 /nfs/dbraw/zinc/77/22/42/1078772242.db2.gz PPAYJYWIJPGKIU-HXUWFJFHSA-N 1 1 408.546 2.494 50 0 HEAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)cc1C ZINC000015671230 132461895 /nfs/dbraw/zinc/46/18/95/132461895.db2.gz MRRHVPOADVZCQK-UHFFFAOYSA-N 1 1 403.552 2.287 50 0 HEAAMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)C[C@H](C)O1 ZINC000032895771 525042828 /nfs/dbraw/zinc/04/28/28/525042828.db2.gz FLYJKUJMOBYBLF-IYBDPMFKSA-N 1 1 409.577 2.373 50 0 HEAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cc(F)cc(Br)c1 ZINC000032930908 526578055 /nfs/dbraw/zinc/57/80/55/526578055.db2.gz BMMDAWVFONXLKF-BLLLJJGKSA-N 1 1 401.276 2.055 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2cccc(F)c2)CC1 ZINC000034920806 557483589 /nfs/dbraw/zinc/48/35/89/557483589.db2.gz BLFMWJNIXBBLDZ-IBGZPJMESA-N 1 1 403.498 2.491 50 0 HEAAMO COc1ccc(COC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000019720573 558258887 /nfs/dbraw/zinc/25/88/87/558258887.db2.gz CNLLRLCGVLQCBP-NRFANRHFSA-N 1 1 400.519 2.399 50 0 HEAAMO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CNCc2ccccc2)c1 ZINC000011661052 558265039 /nfs/dbraw/zinc/26/50/39/558265039.db2.gz ZMUBSPRNYZKYPD-OAQYLSRUSA-N 1 1 400.519 2.181 50 0 HEAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CNCc2ccccc2C)c1 ZINC000011816498 558279888 /nfs/dbraw/zinc/27/98/88/558279888.db2.gz NBXGWRQTBAWRIX-QFIPXVFZSA-N 1 1 414.546 2.490 50 0 HEAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(OCCO)cc3)C[C@@H]2CCO)cc1C ZINC000019839790 558293688 /nfs/dbraw/zinc/29/36/88/558293688.db2.gz QQKUTCVISAMSKU-QFIPXVFZSA-N 1 1 414.546 2.444 50 0 HEAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(OCCO)cc3)C[C@@H]2CCO)cc1C ZINC000019839790 558293694 /nfs/dbraw/zinc/29/36/94/558293694.db2.gz QQKUTCVISAMSKU-QFIPXVFZSA-N 1 1 414.546 2.444 50 0 HEAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(OCCO)cc3)C[C@@H]2CCO)cc1C ZINC000019839790 558293695 /nfs/dbraw/zinc/29/36/95/558293695.db2.gz QQKUTCVISAMSKU-QFIPXVFZSA-N 1 1 414.546 2.444 50 0 HEAAMO CN1C(=O)[C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)N(C)C1=O ZINC000019840640 558293993 /nfs/dbraw/zinc/29/39/93/558293993.db2.gz QXMPGENNBTZCSH-FQEVSTJZSA-N 1 1 420.513 2.203 50 0 HEAAMO CCCCNC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000012430809 558405507 /nfs/dbraw/zinc/40/55/07/558405507.db2.gz YTWOWUAVRBXCBQ-SFHVURJKSA-N 1 1 401.555 2.384 50 0 HEAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012993068 558497274 /nfs/dbraw/zinc/49/72/74/558497274.db2.gz SLGKSDDJNIAHOU-FQEVSTJZSA-N 1 1 410.518 2.235 50 0 HEAAMO Cc1occc1-c1nnc(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1N ZINC000023006354 558530001 /nfs/dbraw/zinc/53/00/01/558530001.db2.gz RXGILJIHEQRTKS-INIZCTEOSA-N 1 1 412.519 2.043 50 0 HEAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000023243356 558545412 /nfs/dbraw/zinc/54/54/12/558545412.db2.gz VUAJIOPUUCMWDE-UHFFFAOYSA-N 1 1 409.486 2.188 50 0 HEAAMO CC(=O)Nc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000023360352 558551870 /nfs/dbraw/zinc/55/18/70/558551870.db2.gz MIKGDPKVVHPGKH-QHCPKHFHSA-N 1 1 402.583 2.386 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3cccc(C(=O)OC)c3)CC2)CC1 ZINC000023366725 558552957 /nfs/dbraw/zinc/55/29/57/558552957.db2.gz 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CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000095481023 568633738 /nfs/dbraw/zinc/63/37/38/568633738.db2.gz NEOVVIVDFOKJHO-HRAATJIYSA-N 1 1 418.925 2.270 50 0 HEAAMO CCc1n[nH]c(=O)c(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1CC ZINC000225444161 568638499 /nfs/dbraw/zinc/63/84/99/568638499.db2.gz KYZWBBFXGSLUSF-MRXNPFEDSA-N 1 1 400.548 2.242 50 0 HEAAMO CC1=C(C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCOCC2)SCCO1 ZINC000020919136 568650764 /nfs/dbraw/zinc/65/07/64/568650764.db2.gz DWLBOSLTRAMXQI-UHFFFAOYSA-N 1 1 405.520 2.072 50 0 HEAAMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000227084265 568699176 /nfs/dbraw/zinc/69/91/76/568699176.db2.gz JSQZOXIEVZJZGM-VKDGWMQASA-N 1 1 419.456 2.295 50 0 HEAAMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000227084265 568699177 /nfs/dbraw/zinc/69/91/77/568699177.db2.gz JSQZOXIEVZJZGM-VKDGWMQASA-N 1 1 419.456 2.295 50 0 HEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)COCc2nc(-c3cccnc3)no2)CC1 ZINC000096182067 568702599 /nfs/dbraw/zinc/70/25/99/568702599.db2.gz XXNNXWWMDGYBRN-UHFFFAOYSA-N 1 1 407.474 2.301 50 0 HEAAMO C[NH+]1CCN(C(=O)[C@H]2CN(C(=O)C3CC3)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000096211306 568704674 /nfs/dbraw/zinc/70/46/74/568704674.db2.gz XBIYZRIBKXRZOG-MSOLQXFVSA-N 1 1 409.452 2.431 50 0 HEAAMO C[N@@H+](CCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)C1CCCCC1 ZINC000021927302 568761149 /nfs/dbraw/zinc/76/11/49/568761149.db2.gz YOABOXPLJFYTDI-INIZCTEOSA-N 1 1 420.583 2.014 50 0 HEAAMO COC(=O)C1C(C[NH2+]C2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731171 568859124 /nfs/dbraw/zinc/85/91/24/568859124.db2.gz SYUGNINXMYINRI-IBGZPJMESA-N 1 1 403.479 2.407 50 0 HEAAMO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000263585642 568878705 /nfs/dbraw/zinc/87/87/05/568878705.db2.gz KYJQSBPGHQUQST-DLBZAZTESA-N 1 1 402.498 2.334 50 0 biogenic HEAAMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc(S(N)(=O)=O)c1C ZINC000670440191 568892077 /nfs/dbraw/zinc/89/20/77/568892077.db2.gz YEXILRSBIPSPPQ-INIZCTEOSA-N 1 1 407.561 2.407 50 0 HEAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(-n2cccn2)cc1 ZINC000670440572 568893759 /nfs/dbraw/zinc/89/37/59/568893759.db2.gz UWTUEMJWYQAJFU-KOXWRSSLSA-N 1 1 413.525 2.170 50 0 HEAAMO Cc1ccc(-c2nc(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cs2)o1 ZINC000031276426 568921546 /nfs/dbraw/zinc/92/15/46/568921546.db2.gz GXFRTVHQEDHWSN-UHFFFAOYSA-N 1 1 412.519 2.444 50 0 HEAAMO CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C(C)C)cc1 ZINC000012735285 568924681 /nfs/dbraw/zinc/92/46/81/568924681.db2.gz VFTKPBCXZZGQOK-RTWAWAEBSA-N 1 1 419.566 2.313 50 0 HEAAMO COC(=O)C[C@H](c1cnn2cccnc12)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000218231412 568928523 /nfs/dbraw/zinc/92/85/23/568928523.db2.gz CFERJZCQSCFNJW-OAHLLOKOSA-N 1 1 412.446 2.069 50 0 HEAAMO C[C@H]1CN(C(=O)c2ccc(CNc3nc(N4CCOCC4)cc[nH+]3)cc2)C[C@H](C)O1 ZINC000084706000 568956498 /nfs/dbraw/zinc/95/64/98/568956498.db2.gz ONRYLZXOEARYAB-IRXDYDNUSA-N 1 1 411.506 2.175 50 0 HEAAMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+]Cc1ccco1 ZINC000008343460 568994026 /nfs/dbraw/zinc/99/40/26/568994026.db2.gz NQOXSCPQDGOINZ-UHFFFAOYSA-N 1 1 407.492 2.191 50 0 HEAAMO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]CCc2ccccc2)cc1 ZINC000019820950 569007979 /nfs/dbraw/zinc/00/79/79/569007979.db2.gz ZZGZSYVKEQSBND-UXHICEINSA-N 1 1 407.557 2.021 50 0 HEAAMO O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485176 569039703 /nfs/dbraw/zinc/03/97/03/569039703.db2.gz BQPDFKRISBYVCV-OALUTQOASA-N 1 1 407.470 2.102 50 0 biogenic HEAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)ncn1 ZINC000035598164 569045845 /nfs/dbraw/zinc/04/58/45/569045845.db2.gz DZKNLOYLUUFDME-UHFFFAOYSA-N 1 1 417.267 2.289 50 0 HEAAMO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000064334010 569053736 /nfs/dbraw/zinc/05/37/36/569053736.db2.gz DIMZZKBXXKBDTL-ZWKOTPCHSA-N 1 1 407.518 2.411 50 0 HEAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@H](Cc1ccccc1)[NH+](C)C ZINC000089512568 569062157 /nfs/dbraw/zinc/06/21/57/569062157.db2.gz SHMHSAIGIFTFGN-PMACEKPBSA-N 1 1 404.580 2.122 50 0 HEAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4nc(C)no4)C3)C2=O)c1OC ZINC000426578876 569073456 /nfs/dbraw/zinc/07/34/56/569073456.db2.gz VCVXENOIFYBXTO-OAQYLSRUSA-N 1 1 400.479 2.410 50 0 HEAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3nn4cc(C)cnc4c3Cl)cc2C1 ZINC000426599483 569073588 /nfs/dbraw/zinc/07/35/88/569073588.db2.gz DMQWXKLBKLJEPZ-UHFFFAOYSA-N 1 1 401.902 2.433 50 0 HEAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCc2ccccc2)cc1 ZINC000036102041 569091777 /nfs/dbraw/zinc/09/17/77/569091777.db2.gz JGMAKHVIRNMLNU-QHCPKHFHSA-N 1 1 414.546 2.407 50 0 HEAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839875 569151159 /nfs/dbraw/zinc/15/11/59/569151159.db2.gz LMHVELFNZZDADC-HNNXBMFYSA-N 1 1 416.547 2.369 50 0 HEAAMO Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@H+](C)CC3)c2=O)cc1 ZINC000065212268 569197367 /nfs/dbraw/zinc/19/73/67/569197367.db2.gz UBKQNKZZVULTGE-UHFFFAOYSA-N 1 1 411.506 2.273 50 0 HEAAMO CC[C@@]1([NH+]2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)CCN(C(=O)NC)C1 ZINC000065292056 569217792 /nfs/dbraw/zinc/21/77/92/569217792.db2.gz NACOPAARVWHLIL-HXUWFJFHSA-N 1 1 408.930 2.300 50 0 HEAAMO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000065475254 569231413 /nfs/dbraw/zinc/23/14/13/569231413.db2.gz KNNBOSIAGUCNBE-HUUCEWRRSA-N 1 1 406.324 2.499 50 0 HEAAMO O=C(CCn1cc(Br)ccc1=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000065548333 569234834 /nfs/dbraw/zinc/23/48/34/569234834.db2.gz SKZUWKSCFWXAEJ-UHFFFAOYSA-N 1 1 404.308 2.175 50 0 HEAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)Cc3ccc(N4CCCC4=O)cc3)cn2)CC1 ZINC000065612102 569238497 /nfs/dbraw/zinc/23/84/97/569238497.db2.gz BZLHGPSMCJPJKA-UHFFFAOYSA-N 1 1 421.545 2.209 50 0 HEAAMO O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013807978 569257978 /nfs/dbraw/zinc/25/79/78/569257978.db2.gz BWMGQUKVUVBALW-UHFFFAOYSA-N 1 1 406.461 2.394 50 0 HEAAMO COc1cc(Br)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1OC ZINC000089939167 569269216 /nfs/dbraw/zinc/26/92/16/569269216.db2.gz PQSYHZYOPLMTAV-NWDGAFQWSA-N 1 1 416.316 2.385 50 0 HEAAMO COc1cc(Br)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1OC ZINC000089939167 569269217 /nfs/dbraw/zinc/26/92/17/569269217.db2.gz PQSYHZYOPLMTAV-NWDGAFQWSA-N 1 1 416.316 2.385 50 0 HEAAMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CCCCCC1 ZINC000014705226 569269529 /nfs/dbraw/zinc/26/95/29/569269529.db2.gz MYVMRCLNOXDCOX-UHFFFAOYSA-N 1 1 411.543 2.313 50 0 HEAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000002106968 569283087 /nfs/dbraw/zinc/28/30/87/569283087.db2.gz PFFAEGXDXRLPED-CYBMUJFWSA-N 1 1 419.478 2.147 50 0 biogenic HEAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000002106968 569283088 /nfs/dbraw/zinc/28/30/88/569283088.db2.gz PFFAEGXDXRLPED-CYBMUJFWSA-N 1 1 419.478 2.147 50 0 biogenic HEAAMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252452568 569286502 /nfs/dbraw/zinc/28/65/02/569286502.db2.gz PKKLOVRVTFARJH-KSSFIOAISA-N 1 1 407.561 2.280 50 0 HEAAMO O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000252570584 569294330 /nfs/dbraw/zinc/29/43/30/569294330.db2.gz WVJJWTZEDHNRFR-NJAFHUGGSA-N 1 1 402.495 2.065 50 0 HEAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 ZINC000007679419 569300300 /nfs/dbraw/zinc/30/03/00/569300300.db2.gz RFCAWHYKERLVSG-UHFFFAOYSA-N 1 1 421.519 2.025 50 0 HEAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 ZINC000007679419 569300301 /nfs/dbraw/zinc/30/03/01/569300301.db2.gz RFCAWHYKERLVSG-UHFFFAOYSA-N 1 1 421.519 2.025 50 0 HEAAMO COc1ccc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1OC ZINC000253403088 569365747 /nfs/dbraw/zinc/36/57/47/569365747.db2.gz GXIRMOJFHRUDBH-MRXNPFEDSA-N 1 1 416.474 2.356 50 0 biogenic HEAAMO C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000079190894 569429330 /nfs/dbraw/zinc/42/93/30/569429330.db2.gz WDAYFDBHKRSCJO-MFSJNOQSSA-N 1 1 411.546 2.474 50 0 biogenic HEAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000008729204 571109034 /nfs/dbraw/zinc/10/90/34/571109034.db2.gz XLPSUYCEWKLVBZ-UTKZUKDTSA-N 1 1 402.495 2.364 50 0 HEAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000008729204 571109037 /nfs/dbraw/zinc/10/90/37/571109037.db2.gz XLPSUYCEWKLVBZ-UTKZUKDTSA-N 1 1 402.495 2.364 50 0 HEAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000008729202 571109128 /nfs/dbraw/zinc/10/91/28/571109128.db2.gz XLPSUYCEWKLVBZ-DYESRHJHSA-N 1 1 402.495 2.364 50 0 HEAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000008729202 571109131 /nfs/dbraw/zinc/10/91/31/571109131.db2.gz XLPSUYCEWKLVBZ-DYESRHJHSA-N 1 1 402.495 2.364 50 0 HEAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3ccc(-n4cncn4)nc3)cc2)C[C@H](C)O1 ZINC000040107050 571167334 /nfs/dbraw/zinc/16/73/34/571167334.db2.gz WAHCPMPVTFIRTO-CALCHBBNSA-N 1 1 406.490 2.202 50 0 HEAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3ccc(-n4cncn4)nc3)cc2)C[C@H](C)O1 ZINC000040107050 571167337 /nfs/dbraw/zinc/16/73/37/571167337.db2.gz WAHCPMPVTFIRTO-CALCHBBNSA-N 1 1 406.490 2.202 50 0 HEAAMO C[C@@H](C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)n1cnc2ccccc21 ZINC000040111529 571169663 /nfs/dbraw/zinc/16/96/63/571169663.db2.gz COUDPROESQXHTJ-KRWDZBQOSA-N 1 1 405.502 2.301 50 0 HEAAMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCN(c2ncccn2)CC1 ZINC000040153716 571201152 /nfs/dbraw/zinc/20/11/52/571201152.db2.gz SMGGOSWQPBTCBD-LJQANCHMSA-N 1 1 415.925 2.242 50 0 HEAAMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCN(c2ncccn2)CC1 ZINC000040153716 571201154 /nfs/dbraw/zinc/20/11/54/571201154.db2.gz SMGGOSWQPBTCBD-LJQANCHMSA-N 1 1 415.925 2.242 50 0 HEAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(-n4cnnn4)cc3)c2)CCO1 ZINC000069972811 571252217 /nfs/dbraw/zinc/25/22/17/571252217.db2.gz KVIAOCUXEZAAEQ-MRXNPFEDSA-N 1 1 407.478 2.205 50 0 HEAAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(-n4cnnn4)cc3)c2)CCO1 ZINC000069972811 571252219 /nfs/dbraw/zinc/25/22/19/571252219.db2.gz KVIAOCUXEZAAEQ-MRXNPFEDSA-N 1 1 407.478 2.205 50 0 HEAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)c2)CCO1 ZINC000070004356 571253610 /nfs/dbraw/zinc/25/36/10/571253610.db2.gz PHOQMTMJGUXRDG-KRWDZBQOSA-N 1 1 423.513 2.487 50 0 HEAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)COc3ccc4c(c3)CCC(=O)N4)c2)CCO1 ZINC000070004356 571253611 /nfs/dbraw/zinc/25/36/11/571253611.db2.gz PHOQMTMJGUXRDG-KRWDZBQOSA-N 1 1 423.513 2.487 50 0 HEAAMO O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCC[N@H+](C2CC2)CC1 ZINC000071846709 571303355 /nfs/dbraw/zinc/30/33/55/571303355.db2.gz XBLPUSUROCLXKD-UHFFFAOYSA-N 1 1 411.955 2.435 50 0 HEAAMO Cn1nc(C2CC[NH+](CC(=O)NCc3ccccc3Cl)CC2)n(C2CC2)c1=O ZINC000077154519 571311841 /nfs/dbraw/zinc/31/18/41/571311841.db2.gz NCCAANPWLPFBCZ-UHFFFAOYSA-N 1 1 403.914 2.066 50 0 HEAAMO C[N@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581803149 1078779897 /nfs/dbraw/zinc/77/98/97/1078779897.db2.gz UCPSYGWOVZGGFR-NRFANRHFSA-N 1 1 422.529 2.020 50 0 HEAAMO Cc1cnc(C(=O)N2CCC([N@H+]3C[C@@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803551 1078779991 /nfs/dbraw/zinc/77/99/91/1078779991.db2.gz XNSIPUJHRLGRJQ-HXUWFJFHSA-N 1 1 400.523 2.050 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000581806007 1078782099 /nfs/dbraw/zinc/78/20/99/1078782099.db2.gz QAEYWJAZDGGRPO-UHFFFAOYSA-N 1 1 413.562 2.330 50 0 HEAAMO Cn1cnc(S(=O)(=O)N2CCC([N@H+]3C[C@@H](OCC4CC4)C34CCCCC4)CC2)c1 ZINC000575317158 1076231573 /nfs/dbraw/zinc/23/15/73/1076231573.db2.gz CRLHGRHMVCNFTE-LJQANCHMSA-N 1 1 422.595 2.387 50 0 HEAAMO COC(=O)c1ccc2c(c1)[nH]c(=O)n(C[C@H](C)[NH+]1CCN(c3ccccc3)CC1)c2=O ZINC000032930000 522185958 /nfs/dbraw/zinc/18/59/58/522185958.db2.gz 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2.377 50 0 HEAAMO CCC(CC)NC(=O)c1nnn(-c2cccc3c2CCN(c2nc(N)cc[nH+]2)C3)c1C ZINC000071890384 557314888 /nfs/dbraw/zinc/31/48/88/557314888.db2.gz ADRXWVYRBVVMHJ-UHFFFAOYSA-N 1 1 420.521 2.429 50 0 HEAAMO CC1CCC2(CC1)OC[C@@H](C(=O)N1CC[NH+](C)CC1)N2C(=O)c1ccccc1F ZINC000034854764 557476535 /nfs/dbraw/zinc/47/65/35/557476535.db2.gz KTIKJABXCOSBHW-UEUGHCDMSA-N 1 1 403.498 2.347 50 0 HEAAMO Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C ZINC000004858274 557607398 /nfs/dbraw/zinc/60/73/98/557607398.db2.gz HXKBGPQPDJOKLV-UHFFFAOYSA-N 1 1 407.580 2.415 50 0 HEAAMO O=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011664397 558267929 /nfs/dbraw/zinc/26/79/29/558267929.db2.gz SVURTTFGEHBPFZ-UHFFFAOYSA-N 1 1 401.902 2.266 50 0 HEAAMO O=C(C[C@H]1C(=O)NCCN1C1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000011775727 558274851 /nfs/dbraw/zinc/27/48/51/558274851.db2.gz DRFBIMYQGFYIGH-QFIPXVFZSA-N 1 1 412.578 2.148 50 0 HEAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc3ncccc3c1)CC2 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O=C(c1ccncc1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020910224 558422185 /nfs/dbraw/zinc/42/21/85/558422185.db2.gz ILLLUMFITYKUJW-HXUWFJFHSA-N 1 1 408.502 2.233 50 0 HEAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000020947677 558424853 /nfs/dbraw/zinc/42/48/53/558424853.db2.gz OUDFNOZHECFHBS-QZTJIDSGSA-N 1 1 402.491 2.396 50 0 HEAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000020947677 558424854 /nfs/dbraw/zinc/42/48/54/558424854.db2.gz OUDFNOZHECFHBS-QZTJIDSGSA-N 1 1 402.491 2.396 50 0 HEAAMO COc1ccc(C[NH2+]CCc2ccccc2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020993551 558426146 /nfs/dbraw/zinc/42/61/46/558426146.db2.gz OOUTVJNESRGADL-JOCHJYFZSA-N 1 1 413.562 2.015 50 0 HEAAMO COc1ccc(C(=O)NCCN2CCC[C@H](O)C2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012592363 558436162 /nfs/dbraw/zinc/43/61/62/558436162.db2.gz HTFRFKIUVPZNJH-IBGZPJMESA-N 1 1 419.566 2.133 50 0 HEAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1OC 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SBMQZYRVQBLBJL-UHFFFAOYSA-N 1 1 411.506 2.059 50 0 HEAAMO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000023256856 558546344 /nfs/dbraw/zinc/54/63/44/558546344.db2.gz ZCXSSIIYDDNCAT-RTBURBONSA-N 1 1 403.910 2.245 50 0 HEAAMO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)no1 ZINC000023373547 558553749 /nfs/dbraw/zinc/55/37/49/558553749.db2.gz LVWCGKTYBGRLQX-GOSISDBHSA-N 1 1 412.490 2.134 50 0 HEAAMO CCn1ncc(C2=NC(NN[C@@H]3OC(=O)c4ccccc43)=[NH+][C@@H](C(F)F)C2)c1C ZINC000013960835 558608825 /nfs/dbraw/zinc/60/88/25/558608825.db2.gz NZBHXHHACCFLON-NVXWUHKLSA-N 1 1 402.405 2.357 50 0 HEAAMO C[C@@H](C(=O)Nc1ccc(F)cc1)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014185148 558630209 /nfs/dbraw/zinc/63/02/09/558630209.db2.gz SVTIPWVLWWSZGT-SFHVURJKSA-N 1 1 412.509 2.429 50 0 HEAAMO CN1C(=O)CO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1F ZINC000072241536 558639650 /nfs/dbraw/zinc/63/96/50/558639650.db2.gz QYMAVTHQKWVFJF-VXKWHMMOSA-N 1 1 411.477 2.068 50 0 HEAAMO COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000025575165 558644357 /nfs/dbraw/zinc/64/43/57/558644357.db2.gz KSUBOLRWINIXRR-PYCFMQQDSA-N 1 1 423.513 2.305 50 0 HEAAMO CC(=O)c1ccc(N2CCN(C(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)CC2)cc1 ZINC000026304310 558658871 /nfs/dbraw/zinc/65/88/71/558658871.db2.gz AZNJPRKYLRUBKW-QFIPXVFZSA-N 1 1 416.566 2.468 50 0 HEAAMO Cc1cc(C[N@H+](C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)on1 ZINC000014742468 558667624 /nfs/dbraw/zinc/66/76/24/558667624.db2.gz VETCHLBDLAVQKF-QGZVFWFLSA-N 1 1 415.538 2.297 50 0 HEAAMO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000027050179 558669033 /nfs/dbraw/zinc/66/90/33/558669033.db2.gz PBHREECPCYXQSL-UHFFFAOYSA-N 1 1 415.559 2.316 50 0 HEAAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000027389798 558672920 /nfs/dbraw/zinc/67/29/20/558672920.db2.gz HGQSKKSDCIERBJ-UHFFFAOYSA-N 1 1 420.513 2.395 50 0 HEAAMO O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000014976852 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Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000015671244 558748262 /nfs/dbraw/zinc/74/82/62/558748262.db2.gz HKCIQRHUUPZNIQ-UHFFFAOYSA-N 1 1 401.536 2.205 50 0 HEAAMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000004580778 558766935 /nfs/dbraw/zinc/76/69/35/558766935.db2.gz SDZBEWQAIVVKOV-UHFFFAOYSA-N 1 1 420.362 2.488 50 0 HEAAMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1 ZINC000072309326 558773011 /nfs/dbraw/zinc/77/30/11/558773011.db2.gz ZSFGJQNXOSWDPB-AWEZNQCLSA-N 1 1 418.412 2.102 50 0 HEAAMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000020350956 558778155 /nfs/dbraw/zinc/77/81/55/558778155.db2.gz JKAXUDSHNMVUEF-UHFFFAOYSA-N 1 1 419.522 2.181 50 0 HEAAMO C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000035422038 558791847 /nfs/dbraw/zinc/79/18/47/558791847.db2.gz AOOBMHJPGAYGLX-GOSISDBHSA-N 1 1 420.985 2.479 50 0 HEAAMO C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000035422038 558791850 /nfs/dbraw/zinc/79/18/50/558791850.db2.gz AOOBMHJPGAYGLX-GOSISDBHSA-N 1 1 420.985 2.479 50 0 HEAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1cc(=O)[nH]c(N2c3ccccc3C[C@H]2C)n1 ZINC000039383770 558820712 /nfs/dbraw/zinc/82/07/12/558820712.db2.gz RTUHESIWASVTFY-OAHLLOKOSA-N 1 1 417.517 2.370 50 0 HEAAMO Cn1ccnc1CNC(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000039445850 558821331 /nfs/dbraw/zinc/82/13/31/558821331.db2.gz YVMRNPXYEFQNSP-NRFANRHFSA-N 1 1 409.578 2.455 50 0 HEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000046960008 558841472 /nfs/dbraw/zinc/84/14/72/558841472.db2.gz WDNMXPCCWHADAY-INIZCTEOSA-N 1 1 413.609 2.387 50 0 HEAAMO COc1cccc(OCc2cc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)no2)c1 ZINC000019226046 558852519 /nfs/dbraw/zinc/85/25/19/558852519.db2.gz TVFXGXSXVRUMPM-QGZVFWFLSA-N 1 1 415.490 2.447 50 0 HEAAMO COc1cccc(OCc2cc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)no2)c1 ZINC000019226039 558852576 /nfs/dbraw/zinc/85/25/76/558852576.db2.gz TVFXGXSXVRUMPM-KRWDZBQOSA-N 1 1 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O=C(NCc1ccc2sccc2c1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000067757136 558992526 /nfs/dbraw/zinc/99/25/26/558992526.db2.gz JTIUZHSOUIZYGA-LJQANCHMSA-N 1 1 415.559 2.478 50 0 HEAAMO Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)ncn1 ZINC000082096572 559037362 /nfs/dbraw/zinc/03/73/62/559037362.db2.gz MXSOZOJGZQNIEB-LJQANCHMSA-N 1 1 408.550 2.099 50 0 HEAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)[nH]n1 ZINC000082106121 559038128 /nfs/dbraw/zinc/03/81/28/559038128.db2.gz ZFKAOFLMMMJTCI-FQEVSTJZSA-N 1 1 423.561 2.394 50 0 HEAAMO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n[nH]1 ZINC000082106121 559038129 /nfs/dbraw/zinc/03/81/29/559038129.db2.gz ZFKAOFLMMMJTCI-FQEVSTJZSA-N 1 1 423.561 2.394 50 0 HEAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n[nH]1 ZINC000082106121 559038130 /nfs/dbraw/zinc/03/81/30/559038130.db2.gz ZFKAOFLMMMJTCI-FQEVSTJZSA-N 1 1 423.561 2.394 50 0 HEAAMO CCn1ccnc1CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 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SJDZNNBNTXVLQR-CALCHBBNSA-N 1 1 409.534 2.268 50 0 HEAAMO Cc1ccc(Cn2c(C[N@@H+]3C[C@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000004930222 559209180 /nfs/dbraw/zinc/20/91/80/559209180.db2.gz SJDZNNBNTXVLQR-CALCHBBNSA-N 1 1 409.534 2.268 50 0 HEAAMO CCc1nn(CC(=O)NCC[N@H+]2CCCC[C@H]2C)c(=O)c2cc3sccc3n21 ZINC000005109024 559246810 /nfs/dbraw/zinc/24/68/10/559246810.db2.gz ASKXGWIBEWNKLT-CQSZACIVSA-N 1 1 401.536 2.264 50 0 HEAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000106170354 560884949 /nfs/dbraw/zinc/88/49/49/560884949.db2.gz NDUVVMIZMQMBOB-IIBYNOLFSA-N 1 1 419.591 2.032 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044571892 560896865 /nfs/dbraw/zinc/89/68/65/560896865.db2.gz HKFAHVRZNWEKQO-KRWDZBQOSA-N 1 1 413.971 2.341 50 0 HEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000108965402 568420425 /nfs/dbraw/zinc/42/04/25/568420425.db2.gz SPFSCPJQQUNUFB-FQEVSTJZSA-N 1 1 400.567 2.103 50 0 HEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000108965402 568420428 /nfs/dbraw/zinc/42/04/28/568420428.db2.gz SPFSCPJQQUNUFB-FQEVSTJZSA-N 1 1 400.567 2.103 50 0 HEAAMO C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)[C@@H](c2ccccc2)C1 ZINC000048261254 568433548 /nfs/dbraw/zinc/43/35/48/568433548.db2.gz KRTQFFKVMQSTNK-CQSZACIVSA-N 1 1 406.280 2.287 50 0 HEAAMO C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)o2)[C@@H](c2ccccc2)C1 ZINC000048261254 568433549 /nfs/dbraw/zinc/43/35/49/568433549.db2.gz KRTQFFKVMQSTNK-CQSZACIVSA-N 1 1 406.280 2.287 50 0 HEAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000048275138 568435499 /nfs/dbraw/zinc/43/54/99/568435499.db2.gz RWOIPWIMOSOKBV-QGZVFWFLSA-N 1 1 407.580 2.159 50 0 HEAAMO CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000095448082 568612454 /nfs/dbraw/zinc/61/24/54/568612454.db2.gz LYDHVHRODJSGNP-LJQANCHMSA-N 1 1 415.582 2.415 50 0 HEAAMO Cc1ccc(C(=O)N2CCc3[nH]nc(C(=O)N4CC[NH+](C(C)C)CC4)c3C2)cc1C 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/nfs/dbraw/zinc/98/01/77/568980177.db2.gz MTSXCKDRNTZOGE-QGZVFWFLSA-N 1 1 414.506 2.337 50 0 HEAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008319959 568990515 /nfs/dbraw/zinc/99/05/15/568990515.db2.gz SZQMUXRNDSLWLD-GOSISDBHSA-N 1 1 419.572 2.418 50 0 HEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786772 569007645 /nfs/dbraw/zinc/00/76/45/569007645.db2.gz HLFIKBMJTAKXNI-OAHLLOKOSA-N 1 1 406.508 2.038 50 0 HEAAMO COc1cc(CN2CC[N@H+](C3CSCCSC3)C[C@H]2CCO)cc(OC)c1 ZINC000104379129 569008520 /nfs/dbraw/zinc/00/85/20/569008520.db2.gz AUHLOHVEMCVZKT-QGZVFWFLSA-N 1 1 412.621 2.421 50 0 HEAAMO CCCc1nc2c(c(=O)n1CC(=O)NC[C@H]1CCCO1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457188 569037821 /nfs/dbraw/zinc/03/78/21/569037821.db2.gz RDUGQYJGUWXUAT-LJQANCHMSA-N 1 1 424.545 2.049 50 0 HEAAMO CCCc1nc2c(c(=O)n1CC(=O)NC[C@H]1CCCO1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457188 569037822 /nfs/dbraw/zinc/03/78/22/569037822.db2.gz RDUGQYJGUWXUAT-LJQANCHMSA-N 1 1 424.545 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COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4nc(C)no4)C3)C2=O)c1OC ZINC000426578875 569073489 /nfs/dbraw/zinc/07/34/89/569073489.db2.gz VCVXENOIFYBXTO-NRFANRHFSA-N 1 1 400.479 2.410 50 0 HEAAMO COc1cc(NC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)cc(OC)c1OC ZINC000006724357 569100037 /nfs/dbraw/zinc/10/00/37/569100037.db2.gz YWYDFCOFTYVARF-UHFFFAOYSA-N 1 1 402.451 2.386 50 0 HEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000524730678 569211965 /nfs/dbraw/zinc/21/19/65/569211965.db2.gz SKWVAMXOLBQJSB-LEWJYISDSA-N 1 1 415.582 2.433 50 0 HEAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000524732196 569212572 /nfs/dbraw/zinc/21/25/72/569212572.db2.gz HFEUUKNMDASJHA-JENIJYKNSA-N 1 1 413.518 2.191 50 0 HEAAMO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](C)CC1)n(-c1ccc(C)c(F)c1)c2=O ZINC000065306664 569220633 /nfs/dbraw/zinc/22/06/33/569220633.db2.gz NTFCBPVDBKCKOY-UHFFFAOYSA-N 1 1 410.449 2.372 50 0 HEAAMO CCOc1ccc(-n2c(=O)c3ccc(C(=O)OC)cc3nc2N2CC[NH+](C)CC2)cc1 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KROFIMUZSOTWEU-CYBMUJFWSA-N 1 1 409.289 2.179 50 0 HEAAMO C[N@H+](CCCOc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000195651882 569312799 /nfs/dbraw/zinc/31/27/99/569312799.db2.gz KROFIMUZSOTWEU-CYBMUJFWSA-N 1 1 409.289 2.179 50 0 HEAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000054887302 569325260 /nfs/dbraw/zinc/32/52/60/569325260.db2.gz KYGDFRZXJUQQBF-AVRDEDQJSA-N 1 1 413.562 2.313 50 0 HEAAMO NC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253396635 569365325 /nfs/dbraw/zinc/36/53/25/569365325.db2.gz BEGATJFOUINKCJ-OAHLLOKOSA-N 1 1 400.431 2.067 50 0 biogenic HEAAMO CS[C@H]1CC[C@H]([N@@H+](C)CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000078947791 569421947 /nfs/dbraw/zinc/42/19/47/569421947.db2.gz ANJNLPORIAPWFC-WMZOPIPTSA-N 1 1 414.593 2.302 50 0 HEAAMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CC1 ZINC000079107596 569427906 /nfs/dbraw/zinc/42/79/06/569427906.db2.gz CRDTYMNFLFUYTO-UHFFFAOYSA-N 1 1 409.534 2.097 50 0 HEAAMO COCC[N@H+]1CCC[C@H](CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000670472607 571096802 /nfs/dbraw/zinc/09/68/02/571096802.db2.gz RSHBFJZEYXDMSR-CYBMUJFWSA-N 1 1 402.322 2.198 50 0 HEAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cccnc3-n3cncn3)cc2)C[C@@H](C)O1 ZINC000040108955 571168420 /nfs/dbraw/zinc/16/84/20/571168420.db2.gz ZHWXJRBQHFVAKG-IAGOWNOFSA-N 1 1 406.490 2.202 50 0 HEAAMO COc1ccc2cc(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)[nH]c2c1 ZINC000040111543 571169686 /nfs/dbraw/zinc/16/96/86/571169686.db2.gz ZYYKWEIZJRKUJY-UHFFFAOYSA-N 1 1 406.486 2.494 50 0 HEAAMO C[NH+]1CCN([C@@H](CNC(=O)Nc2ccc(-n3cccn3)nc2)c2cccs2)CC1 ZINC000040120980 571176915 /nfs/dbraw/zinc/17/69/15/571176915.db2.gz FFOUGZYFHANSLT-KRWDZBQOSA-N 1 1 411.535 2.439 50 0 HEAAMO CC[NH+](CC)CCCNC(=O)C1CCN(CC(=O)N(C)Cc2ccsc2)CC1 ZINC000040127619 571179330 /nfs/dbraw/zinc/17/93/30/571179330.db2.gz JDKQLRQBRUVLBP-UHFFFAOYSA-N 1 1 408.612 2.267 50 0 HEAAMO CCc1nn2c(nc(C[NH+]3CCC(C(=O)Nc4cc(C)ccn4)CC3)cc2=O)s1 ZINC000040149594 571196916 /nfs/dbraw/zinc/19/69/16/571196916.db2.gz LCMHRTFPYNBRRS-UHFFFAOYSA-N 1 1 412.519 2.268 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009482283 571262155 /nfs/dbraw/zinc/26/21/55/571262155.db2.gz NLIDYBIGTXEDPV-LJQANCHMSA-N 1 1 422.529 2.198 50 0 HEAAMO COc1ccc(COC[C@@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1OC ZINC000009647391 571276591 /nfs/dbraw/zinc/27/65/91/571276591.db2.gz POPDUSTUEJMZBF-SFHVURJKSA-N 1 1 403.475 2.485 50 0 HEAAMO C[NH+]1CCN(C(=O)CCc2nc([C@@H]3CCCN3C(=O)Nc3ccccc3)no2)CC1 ZINC000581784789 1078764297 /nfs/dbraw/zinc/76/42/97/1078764297.db2.gz JVFGKABEDHHNFG-KRWDZBQOSA-N 1 1 412.494 2.145 50 0 HEAAMO COCCn1c(C)c[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2cccc(OC)c2)C1 ZINC000581815872 1078786637 /nfs/dbraw/zinc/78/66/37/1078786637.db2.gz JTBDALPANXMARN-QGZVFWFLSA-N 1 1 407.536 2.490 50 0 HEAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2c(OC)cccc2OC)CC1 ZINC000023224661 132479226 /nfs/dbraw/zinc/47/92/26/132479226.db2.gz HSGBIBZCLVTEGR-KRWDZBQOSA-N 1 1 402.491 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O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000020566380 527089049 /nfs/dbraw/zinc/08/90/49/527089049.db2.gz JSQZOXIEVZJZGM-MTXNFPGFSA-N 1 1 419.456 2.295 50 0 HEAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000020566380 527089055 /nfs/dbraw/zinc/08/90/55/527089055.db2.gz JSQZOXIEVZJZGM-MTXNFPGFSA-N 1 1 419.456 2.295 50 0 HEAAMO O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040288365 527414015 /nfs/dbraw/zinc/41/40/15/527414015.db2.gz JPXUSNIHKJEGGA-UHFFFAOYSA-N 1 1 406.461 2.394 50 0 HEAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(C)c3)co2)CC1 ZINC000034677309 557364481 /nfs/dbraw/zinc/36/44/81/557364481.db2.gz PSNWMHYCIJYHKZ-IBGZPJMESA-N 1 1 416.522 2.059 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1COC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000034920734 557483482 /nfs/dbraw/zinc/48/34/82/557483482.db2.gz QDTDHJPFNQHDCH-HXUWFJFHSA-N 1 1 415.534 2.027 50 0 HEAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 ZINC000004704131 557584518 /nfs/dbraw/zinc/58/45/18/557584518.db2.gz XKRVAXFSBLRSCL-HXUWFJFHSA-N 1 1 413.518 2.442 50 0 HEAAMO O=C(c1cc(COc2ccccc2F)[nH]n1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000019742688 558263096 /nfs/dbraw/zinc/26/30/96/558263096.db2.gz ZTDMFRPGPQMISF-INIZCTEOSA-N 1 1 402.470 2.312 50 0 HEAAMO O=C(c1cc(COc2ccccc2F)n[nH]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000019742688 558263098 /nfs/dbraw/zinc/26/30/98/558263098.db2.gz ZTDMFRPGPQMISF-INIZCTEOSA-N 1 1 402.470 2.312 50 0 HEAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1OC ZINC000011668216 558269997 /nfs/dbraw/zinc/26/99/97/558269997.db2.gz CLBJVGSQSFZIPN-GOSISDBHSA-N 1 1 419.547 2.426 50 0 HEAAMO COc1cccc2ccc(C[N@@H+]3CCc4nnc([C@@H](C)NC(=O)C5CC5)n4CC3)nc21 ZINC000011790301 558277167 /nfs/dbraw/zinc/27/71/67/558277167.db2.gz YOONMBUFSJQQBO-OAHLLOKOSA-N 1 1 420.517 2.480 50 0 HEAAMO COc1cc(C[NH2+]Cc2cccnc2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000011820694 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KYNMYXUVVNTTJN-OAQYLSRUSA-N 1 1 417.550 2.115 50 0 HEAAMO CCCCNC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012448832 558415599 /nfs/dbraw/zinc/41/55/99/558415599.db2.gz FZOOGUOUZAWEPY-IBGZPJMESA-N 1 1 401.555 2.384 50 0 HEAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)C1 ZINC000004385499 558482707 /nfs/dbraw/zinc/48/27/07/558482707.db2.gz SEVUNENTHZQWCK-GASCZTMLSA-N 1 1 413.497 2.099 50 0 HEAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)C1 ZINC000004385499 558482708 /nfs/dbraw/zinc/48/27/08/558482708.db2.gz SEVUNENTHZQWCK-GASCZTMLSA-N 1 1 413.497 2.099 50 0 HEAAMO O=S(=O)(c1cccc(CN2CC[NH+](Cc3cccs3)CC2)c1)N1CCOCC1 ZINC000022784421 558510579 /nfs/dbraw/zinc/51/05/79/558510579.db2.gz LKSIIUQJZMILLA-UHFFFAOYSA-N 1 1 421.588 2.087 50 0 HEAAMO COc1ccc(OC)c(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000022972093 558528561 /nfs/dbraw/zinc/52/85/61/558528561.db2.gz WTHUYMDQFRSUNJ-HXUWFJFHSA-N 1 1 409.486 2.154 50 0 HEAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000023731965 558571569 /nfs/dbraw/zinc/57/15/69/558571569.db2.gz NSEFNRJVMVQMAX-IBGZPJMESA-N 1 1 414.502 2.434 50 0 HEAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000024608331 558603299 /nfs/dbraw/zinc/60/32/99/558603299.db2.gz RQJOAUAHVAVZSV-UHFFFAOYSA-N 1 1 413.971 2.046 50 0 HEAAMO CC[N@H+](CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)Cc1ccccc1 ZINC000014202142 558637417 /nfs/dbraw/zinc/63/74/17/558637417.db2.gz JEPQYVAJNIXDIG-QFIPXVFZSA-N 1 1 410.474 2.016 50 0 HEAAMO CC[N@@H+](CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)Cc1ccccc1 ZINC000014202142 558637419 /nfs/dbraw/zinc/63/74/19/558637419.db2.gz JEPQYVAJNIXDIG-QFIPXVFZSA-N 1 1 410.474 2.016 50 0 HEAAMO CN(C(=O)CCS(=O)(=O)C1CCCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000069951020 558658579 /nfs/dbraw/zinc/65/85/79/558658579.db2.gz NALUYGGHFHDBKE-UHFFFAOYSA-N 1 1 407.580 2.294 50 0 HEAAMO COC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026455872 558661091 /nfs/dbraw/zinc/66/10/91/558661091.db2.gz NGVUFVCNJMXYAK-LJQANCHMSA-N 1 1 403.479 2.217 50 0 HEAAMO COC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026455872 558661093 /nfs/dbraw/zinc/66/10/93/558661093.db2.gz NGVUFVCNJMXYAK-LJQANCHMSA-N 1 1 403.479 2.217 50 0 HEAAMO O=c1n(CN2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)nc2ccccn21 ZINC000026688041 558664374 /nfs/dbraw/zinc/66/43/74/558664374.db2.gz VITJSMXFSGICQZ-UHFFFAOYSA-N 1 1 407.396 2.170 50 0 HEAAMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Nc1ccccc1F ZINC000028878509 558706435 /nfs/dbraw/zinc/70/64/35/558706435.db2.gz BQEVMEKCBCFAOD-FQEVSTJZSA-N 1 1 413.449 2.139 50 0 HEAAMO C[C@H](CC(C)(C)O)[NH+]1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000015066619 558709680 /nfs/dbraw/zinc/70/96/80/558709680.db2.gz DDOMMARIMNBOHV-GOSISDBHSA-N 1 1 402.583 2.424 50 0 HEAAMO C[C@H](CC(C)(C)O)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000015066619 558709682 /nfs/dbraw/zinc/70/96/82/558709682.db2.gz DDOMMARIMNBOHV-GOSISDBHSA-N 1 1 402.583 2.424 50 0 HEAAMO COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000015073857 558714414 /nfs/dbraw/zinc/71/44/14/558714414.db2.gz DSRCLEFYJMJEDT-SFHVURJKSA-N 1 1 417.550 2.117 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000015077661 558717256 /nfs/dbraw/zinc/71/72/56/558717256.db2.gz MNIJDDNFRLHJDX-QGZVFWFLSA-N 1 1 401.555 2.131 50 0 HEAAMO Cc1cc(NC(=O)CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)no1 ZINC000029596112 558717670 /nfs/dbraw/zinc/71/76/70/558717670.db2.gz IECOCADMBMXPNG-UHFFFAOYSA-N 1 1 416.507 2.283 50 0 HEAAMO Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)c1 ZINC000015671243 558748366 /nfs/dbraw/zinc/74/83/66/558748366.db2.gz DYNOBUBUPJQKJT-UHFFFAOYSA-N 1 1 401.536 2.205 50 0 HEAAMO O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1C[C@@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000072306037 558762553 /nfs/dbraw/zinc/76/25/53/558762553.db2.gz PZYLWCRGURBKTI-RBUKOAKNSA-N 1 1 407.536 2.076 50 0 HEAAMO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[NH+]1CCC(O)CC1 ZINC000016338542 558786956 /nfs/dbraw/zinc/78/69/56/558786956.db2.gz ATABIUJCMMACAS-UHFFFAOYSA-N 1 1 407.820 2.212 50 0 HEAAMO Cc1cccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)c1 ZINC000046140924 558839721 /nfs/dbraw/zinc/83/97/21/558839721.db2.gz GYCRFSRPCZCSOW-UHFFFAOYSA-N 1 1 419.522 2.012 50 0 HEAAMO C[NH+]1CCN(C2(CNC(=O)c3cn(CCc4ccccc4)nn3)CCCCC2)CC1 ZINC000019226270 558852739 /nfs/dbraw/zinc/85/27/39/558852739.db2.gz HAVJASPPAHYPAP-UHFFFAOYSA-N 1 1 410.566 2.201 50 0 HEAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cnn(-c3ccccc3)c2)N1)OCCCO4 ZINC000019354151 558875491 /nfs/dbraw/zinc/87/54/91/558875491.db2.gz LOUOYSDDELGZQJ-IBGZPJMESA-N 1 1 401.430 2.480 50 0 HEAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000055561930 558882519 /nfs/dbraw/zinc/88/25/19/558882519.db2.gz PKVSZAZAERKMLF-IBGZPJMESA-N 1 1 403.479 2.361 50 0 HEAAMO O=S(=O)(c1ccc(F)cc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072115423 558926425 /nfs/dbraw/zinc/92/64/25/558926425.db2.gz KFFHUAZKBSQGHE-UHFFFAOYSA-N 1 1 405.499 2.117 50 0 HEAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)NCc1ccon1 ZINC000072127460 558928377 /nfs/dbraw/zinc/92/83/77/558928377.db2.gz LKXNUIQMYCDTPO-QFIPXVFZSA-N 1 1 418.497 2.313 50 0 HEAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)NCc1ccon1 ZINC000072127460 558928379 /nfs/dbraw/zinc/92/83/79/558928379.db2.gz LKXNUIQMYCDTPO-QFIPXVFZSA-N 1 1 418.497 2.313 50 0 HEAAMO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000060061789 558940741 /nfs/dbraw/zinc/94/07/41/558940741.db2.gz QHPKIRUCLYGSKW-BZUAXINKSA-N 1 1 400.566 2.116 50 0 HEAAMO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000060099577 558940990 /nfs/dbraw/zinc/94/09/90/558940990.db2.gz GLCWPNVFMZDEMY-HNNXBMFYSA-N 1 1 402.520 2.147 50 0 HEAAMO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000060099577 558940993 /nfs/dbraw/zinc/94/09/93/558940993.db2.gz GLCWPNVFMZDEMY-HNNXBMFYSA-N 1 1 402.520 2.147 50 0 HEAAMO O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072437408 558980676 /nfs/dbraw/zinc/98/06/76/558980676.db2.gz PNUGQGMJSJQVOY-UHFFFAOYSA-N 1 1 407.927 2.241 50 0 HEAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)CCC4CCCCC4)CC3)ncn2)CC1 ZINC000072437677 558981043 /nfs/dbraw/zinc/98/10/43/558981043.db2.gz SIRWOXYAZIEJOJ-UHFFFAOYSA-N 1 1 400.571 2.238 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@H]2C[C@@](CC(C)C)(C(=O)[O-])[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000067714376 558991901 /nfs/dbraw/zinc/99/19/01/558991901.db2.gz TYYQMGJOXNWRPN-IPJJNNNSSA-N 1 1 402.539 2.108 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@H]2C[C@@](CC(C)C)(C(=O)[O-])[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000067714376 558991904 /nfs/dbraw/zinc/99/19/04/558991904.db2.gz TYYQMGJOXNWRPN-IPJJNNNSSA-N 1 1 402.539 2.108 50 0 HEAAMO O=C(NCc1ccc2sccc2c1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000067757139 558992438 /nfs/dbraw/zinc/99/24/38/558992438.db2.gz JTIUZHSOUIZYGA-IBGZPJMESA-N 1 1 415.559 2.478 50 0 HEAAMO C[N@@H+](CCCN1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000077299873 559000765 /nfs/dbraw/zinc/00/07/65/559000765.db2.gz IDOIFTFWNSZRBT-GOSISDBHSA-N 1 1 407.555 2.491 50 0 HEAAMO CCc1ccc(C(=O)N2CCC3(CN(CC[N@@H+](C)CCOC)C(=O)O3)CC2)s1 ZINC000077457447 559005910 /nfs/dbraw/zinc/00/59/10/559005910.db2.gz LGCYPAGYFKVSDX-UHFFFAOYSA-N 1 1 409.552 2.316 50 0 HEAAMO O=C(NCC1(CO)CCC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082121455 559039570 /nfs/dbraw/zinc/03/95/70/559039570.db2.gz SNJWCRONHAVOIX-FQEVSTJZSA-N 1 1 400.567 2.037 50 0 HEAAMO Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)n1 ZINC000082139191 559040654 /nfs/dbraw/zinc/04/06/54/559040654.db2.gz YVSHVKRFECMLLZ-FQEVSTJZSA-N 1 1 410.566 2.448 50 0 HEAAMO O=C(NC1(CO)CCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082147575 559040808 /nfs/dbraw/zinc/04/08/08/559040808.db2.gz PESWYJVKPYTECH-FQEVSTJZSA-N 1 1 400.567 2.179 50 0 HEAAMO O=C(c1ncoc1C1CC1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082148139 559040988 /nfs/dbraw/zinc/04/09/88/559040988.db2.gz QEBCNFLJCUSIOA-KRWDZBQOSA-N 1 1 400.523 2.491 50 0 HEAAMO Cc1cccc(C)c1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000033345152 559064970 /nfs/dbraw/zinc/06/49/70/559064970.db2.gz JPJSMWAKDOZWJW-UHFFFAOYSA-N 1 1 415.559 2.414 50 0 HEAAMO NC(=O)c1ccc2[nH]c(C[N@H+]3CCC[C@@]4(C3)c3ccccc3NC4=O)cc(=O)c2c1 ZINC000091645187 559072590 /nfs/dbraw/zinc/07/25/90/559072590.db2.gz HGTUHCPEBNRZCJ-HSZRJFAPSA-N 1 1 402.454 2.113 50 0 HEAAMO CNC(=O)CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091707874 559073187 /nfs/dbraw/zinc/07/31/87/559073187.db2.gz LMNIEXAHJAFSRL-OAQYLSRUSA-N 1 1 414.594 2.000 50 0 HEAAMO CCNc1ncc(C[N@@H+]2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)cn1 ZINC000095354703 559079878 /nfs/dbraw/zinc/07/98/78/559079878.db2.gz MHFKKARCIRPTSE-SJBKTWHCSA-N 1 1 403.571 2.248 50 0 HEAAMO CCNc1ncc(C[N@H+]2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)cn1 ZINC000095354703 559079879 /nfs/dbraw/zinc/07/98/79/559079879.db2.gz MHFKKARCIRPTSE-SJBKTWHCSA-N 1 1 403.571 2.248 50 0 HEAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CC(=O)OC13CCCC3)CC2 ZINC000096164917 559100913 /nfs/dbraw/zinc/10/09/13/559100913.db2.gz PNIOVWMKXRNYOZ-MRXNPFEDSA-N 1 1 400.523 2.371 50 0 HEAAMO COCCN1CC[C@@]2(CN(c3cccc(C(F)(F)F)n3)CC[N@H+]2C)CCC1=O ZINC000107399862 559165164 /nfs/dbraw/zinc/16/51/64/559165164.db2.gz OYBQVGHPZOGJGB-GOSISDBHSA-N 1 1 400.445 2.250 50 0 HEAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 ZINC000004930579 559209586 /nfs/dbraw/zinc/20/95/86/559209586.db2.gz HULFHPZFAUAYTI-GOSISDBHSA-N 1 1 409.534 2.441 50 0 HEAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 ZINC000004930579 559209587 /nfs/dbraw/zinc/20/95/87/559209587.db2.gz HULFHPZFAUAYTI-GOSISDBHSA-N 1 1 409.534 2.441 50 0 HEAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652725 560779401 /nfs/dbraw/zinc/77/94/01/560779401.db2.gz WSHZHCSWFTULAL-VFUGHAIPSA-N 1 1 418.586 2.219 50 0 HEAAMO C[NH+](C)[C@@H](CNc1c(=O)c(=O)c1N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000101699594 560798353 /nfs/dbraw/zinc/79/83/53/560798353.db2.gz VPJLMECDYGWJCZ-NRFANRHFSA-N 1 1 418.541 2.320 50 0 HEAAMO COc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4cccs4)CC3)C2=O)cc1OC ZINC000102701043 560820155 /nfs/dbraw/zinc/82/01/55/560820155.db2.gz LIECZJJHSNPXEJ-KRWDZBQOSA-N 1 1 415.515 2.215 50 0 HEAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000109047692 568420930 /nfs/dbraw/zinc/42/09/30/568420930.db2.gz MRCZQNGIAVWYJZ-SJLPKXTDSA-N 1 1 406.486 2.032 50 0 HEAAMO CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C2=O ZINC000048270697 568433909 /nfs/dbraw/zinc/43/39/09/568433909.db2.gz HTBVRFMKKRPUNO-RPIYSHSISA-N 1 1 406.571 2.361 50 0 HEAAMO CN(c1ccc(OCC(=O)NCC[N@@H+](C)C2CC2)cc1)S(=O)(=O)c1cccs1 ZINC000048265197 568433913 /nfs/dbraw/zinc/43/39/13/568433913.db2.gz CYKQWQAKFVNCFV-UHFFFAOYSA-N 1 1 423.560 2.162 50 0 HEAAMO O=C(c1nc(N2CCOCC2)ncc1Cl)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000048272747 568434114 /nfs/dbraw/zinc/43/41/14/568434114.db2.gz FPKFHHZLOWKIEF-UHFFFAOYSA-N 1 1 421.954 2.376 50 0 HEAAMO O=C(c1nc(N2CCOCC2)ncc1Cl)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000048272747 568434115 /nfs/dbraw/zinc/43/41/15/568434115.db2.gz FPKFHHZLOWKIEF-UHFFFAOYSA-N 1 1 421.954 2.376 50 0 HEAAMO O=C(NCCc1ccccc1F)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000048290883 568435349 /nfs/dbraw/zinc/43/53/49/568435349.db2.gz TZDSHUZUYHTBDP-UHFFFAOYSA-N 1 1 414.506 2.466 50 0 HEAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000048324656 568438465 /nfs/dbraw/zinc/43/84/65/568438465.db2.gz QXUJABPLYMQTGI-UHFFFAOYSA-N 1 1 417.531 2.344 50 0 HEAAMO Cc1ccc(C[N@H+]2CCc3ncn(CC(=O)NCc4ccccc4)c(=O)c3C2)cc1 ZINC000049400899 568447584 /nfs/dbraw/zinc/44/75/84/568447584.db2.gz PEOWEEKYOGVFRX-UHFFFAOYSA-N 1 1 402.498 2.426 50 0 HEAAMO COc1ccc(C(=O)OCCCn2cc[nH+]c2C)cc1S(=O)(=O)N1CCCC1 ZINC000095448036 568612489 /nfs/dbraw/zinc/61/24/89/568612489.db2.gz BUWFIVRNHDHKDF-UHFFFAOYSA-N 1 1 407.492 2.232 50 0 HEAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1Cn1cncn1)c1cccc(F)c1 ZINC000095465335 568623490 /nfs/dbraw/zinc/62/34/90/568623490.db2.gz AVBZELPSPPTXMI-GOSISDBHSA-N 1 1 403.483 2.047 50 0 HEAAMO C[NH+]1CCN(C(=O)[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000096211307 568704695 /nfs/dbraw/zinc/70/46/95/568704695.db2.gz XBIYZRIBKXRZOG-ZWKOTPCHSA-N 1 1 409.452 2.431 50 0 HEAAMO Cc1cc(C)cc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015103117 568756042 /nfs/dbraw/zinc/75/60/42/568756042.db2.gz GTVYBPPHFDFKEF-INIZCTEOSA-N 1 1 405.520 2.289 50 0 HEAAMO Cc1cc(C)cc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015103117 568756043 /nfs/dbraw/zinc/75/60/43/568756043.db2.gz GTVYBPPHFDFKEF-INIZCTEOSA-N 1 1 405.520 2.289 50 0 HEAAMO C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Cl ZINC000028852645 568812280 /nfs/dbraw/zinc/81/22/80/568812280.db2.gz SECUXXCLNGPCPZ-UHFFFAOYSA-N 1 1 409.939 2.168 50 0 HEAAMO CCn1c(C[N@@H+]2C[C@H]3CCC[C@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000230105098 568844267 /nfs/dbraw/zinc/84/42/67/568844267.db2.gz KRKLXDSQEKLMJO-CRAIPNDOSA-N 1 1 404.536 2.061 50 0 HEAAMO CCn1c(C[N@H+]2C[C@H]3CCC[C@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000230105098 568844268 /nfs/dbraw/zinc/84/42/68/568844268.db2.gz KRKLXDSQEKLMJO-CRAIPNDOSA-N 1 1 404.536 2.061 50 0 HEAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)NC(=O)N[C@H]1CC ZINC000057679804 568858033 /nfs/dbraw/zinc/85/80/33/568858033.db2.gz OETQHTQMGMTGEY-KRWDZBQOSA-N 1 1 414.506 2.246 50 0 HEAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cnc2c(c1)CCCC2 ZINC000670438656 568884585 /nfs/dbraw/zinc/88/45/85/568884585.db2.gz AEBWUHZYPMEVHT-KOXWRSSLSA-N 1 1 402.542 2.258 50 0 HEAAMO O=C(c1ccc(F)cc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000046140779 568931204 /nfs/dbraw/zinc/93/12/04/568931204.db2.gz JXYOUXPWJXXRTA-UHFFFAOYSA-N 1 1 411.543 2.226 50 0 HEAAMO O=C(CN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1)NCC(F)(F)F ZINC000053150651 568964965 /nfs/dbraw/zinc/96/49/65/568964965.db2.gz SMTYQIVUWOATAO-UHFFFAOYSA-N 1 1 417.457 2.027 50 0 HEAAMO O=C(Nc1ccc(-n2cnnn2)cc1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000038489454 568997841 /nfs/dbraw/zinc/99/78/41/568997841.db2.gz CUEUJAYXHGGJDI-UHFFFAOYSA-N 1 1 402.462 2.389 50 0 HEAAMO COC(=O)c1sccc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCO2)[NH+](C)C ZINC000090607260 569041914 /nfs/dbraw/zinc/04/19/14/569041914.db2.gz FGHHUWLYQGEERT-AWEZNQCLSA-N 1 1 410.517 2.051 50 0 HEAAMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1C ZINC000089565267 569070333 /nfs/dbraw/zinc/07/03/33/569070333.db2.gz SNWVXWMKZZEIRW-KRWDZBQOSA-N 1 1 417.579 2.051 50 0 HEAAMO NC(=O)[C@H]1CCC[N@H+](CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000006604913 569071021 /nfs/dbraw/zinc/07/10/21/569071021.db2.gz JNVMWJUUIMREMC-HNNXBMFYSA-N 1 1 415.515 2.250 50 0 HEAAMO NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000006604913 569071022 /nfs/dbraw/zinc/07/10/22/569071022.db2.gz JNVMWJUUIMREMC-HNNXBMFYSA-N 1 1 415.515 2.250 50 0 HEAAMO NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000006604914 569071037 /nfs/dbraw/zinc/07/10/37/569071037.db2.gz JNVMWJUUIMREMC-OAHLLOKOSA-N 1 1 415.515 2.250 50 0 HEAAMO NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000006604914 569071038 /nfs/dbraw/zinc/07/10/38/569071038.db2.gz JNVMWJUUIMREMC-OAHLLOKOSA-N 1 1 415.515 2.250 50 0 HEAAMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006639588 569077789 /nfs/dbraw/zinc/07/77/89/569077789.db2.gz MGVNGBJGWWAXIY-UHFFFAOYSA-N 1 1 417.531 2.420 50 0 HEAAMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006639588 569077790 /nfs/dbraw/zinc/07/77/90/569077790.db2.gz MGVNGBJGWWAXIY-UHFFFAOYSA-N 1 1 417.531 2.420 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1 ZINC000169681191 569127244 /nfs/dbraw/zinc/12/72/44/569127244.db2.gz ATZOEXXDFBFLJN-UHFFFAOYSA-N 1 1 415.497 2.475 50 0 HEAAMO Cc1cccc(CNC(=O)C2CCN(c3cncnc3N3CC[NH+](C)CC3)CC2)c1 ZINC000065226833 569200115 /nfs/dbraw/zinc/20/01/15/569200115.db2.gz IGHHQUHKAZFYDX-UHFFFAOYSA-N 1 1 408.550 2.070 50 0 HEAAMO C[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1 ZINC000065270859 569213425 /nfs/dbraw/zinc/21/34/25/569213425.db2.gz PIBDZYQCTNGVGN-UHFFFAOYSA-N 1 1 401.470 2.085 50 0 HEAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccco3)C2)cc1 ZINC000007435407 569238859 /nfs/dbraw/zinc/23/88/59/569238859.db2.gz GMFIYINZTBGLPA-IBGZPJMESA-N 1 1 410.474 2.163 50 0 HEAAMO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3ccccc3NC2=O)cc1 ZINC000037243590 569243208 /nfs/dbraw/zinc/24/32/08/569243208.db2.gz LHBFHXFYJMIMDF-CMCWBKRRSA-N 1 1 415.449 2.320 50 0 biogenic HEAAMO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)cc1 ZINC000037243590 569243210 /nfs/dbraw/zinc/24/32/10/569243210.db2.gz LHBFHXFYJMIMDF-CMCWBKRRSA-N 1 1 415.449 2.320 50 0 biogenic HEAAMO C[N@@H+](CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C1CC1)C1CC1 ZINC000170606120 569244446 /nfs/dbraw/zinc/24/44/46/569244446.db2.gz ISQXRBWYWJLBNZ-GOSISDBHSA-N 1 1 411.502 2.160 50 0 HEAAMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000252452567 569286389 /nfs/dbraw/zinc/28/63/89/569286389.db2.gz PKKLOVRVTFARJH-KDOFPFPSSA-N 1 1 407.561 2.280 50 0 HEAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000007788206 569310519 /nfs/dbraw/zinc/31/05/19/569310519.db2.gz SHJCDYJTNZJFGC-IYBDPMFKSA-N 1 1 413.971 2.151 50 0 HEAAMO CC[C@]1([NH+]2CCN(C(=O)c3ccc(Cl)cc3OC)CC2)CCN(C(=O)NC)C1 ZINC000065292047 569364380 /nfs/dbraw/zinc/36/43/80/569364380.db2.gz JBMNCJMTFNXYTA-FQEVSTJZSA-N 1 1 408.930 2.300 50 0 HEAAMO COc1cc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)ccc1O ZINC000253404345 569365902 /nfs/dbraw/zinc/36/59/02/569365902.db2.gz HULYJUJNTOBRDH-HNNXBMFYSA-N 1 1 402.447 2.053 50 0 biogenic HEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000253414084 569366928 /nfs/dbraw/zinc/36/69/28/569366928.db2.gz WKZMPKKUEWVKAY-SLFFLAALSA-N 1 1 412.534 2.220 50 0 biogenic HEAAMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccco3)c2C(N)=O)C1 ZINC000002316557 569373125 /nfs/dbraw/zinc/37/31/25/569373125.db2.gz JGCOIEATQSAWSR-AATRIKPKSA-N 1 1 404.517 2.344 50 0 HEAAMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccco3)c2C(N)=O)C1 ZINC000002316557 569373126 /nfs/dbraw/zinc/37/31/26/569373126.db2.gz JGCOIEATQSAWSR-AATRIKPKSA-N 1 1 404.517 2.344 50 0 HEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cc(C)ccc3NC2=O)cc1 ZINC000061935564 569386395 /nfs/dbraw/zinc/38/63/95/569386395.db2.gz UQCYHMBLCNISLO-CMCWBKRRSA-N 1 1 417.465 2.435 50 0 HEAAMO COCCC[N@@H+](C)CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000078875236 569421124 /nfs/dbraw/zinc/42/11/24/569421124.db2.gz IXPBIRDAKACRSR-UHFFFAOYSA-N 1 1 423.510 2.325 50 0 HEAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067287055 571064873 /nfs/dbraw/zinc/06/48/73/571064873.db2.gz LNMRRGWCXKMBDO-LJQANCHMSA-N 1 1 418.563 2.217 50 0 HEAAMO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067287055 571064874 /nfs/dbraw/zinc/06/48/74/571064874.db2.gz LNMRRGWCXKMBDO-LJQANCHMSA-N 1 1 418.563 2.217 50 0 HEAAMO CCOC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067287055 571064875 /nfs/dbraw/zinc/06/48/75/571064875.db2.gz LNMRRGWCXKMBDO-LJQANCHMSA-N 1 1 418.563 2.217 50 0 HEAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4cccc5ccccc54)c(=O)n3C)n2[C@@H]1C ZINC000008724562 571107749 /nfs/dbraw/zinc/10/77/49/571107749.db2.gz LKCZPVQWBCJEAD-CQSZACIVSA-N 1 1 402.458 2.485 50 0 HEAAMO O=C(CNC(=O)c1ccoc1)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000040088870 571158827 /nfs/dbraw/zinc/15/88/27/571158827.db2.gz RQWPFTCQKGLJMS-UHFFFAOYSA-N 1 1 418.497 2.448 50 0 HEAAMO C[NH+]1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1 ZINC000040089145 571159126 /nfs/dbraw/zinc/15/91/26/571159126.db2.gz MVHXREVIKOAOIY-UHFFFAOYSA-N 1 1 401.292 2.049 50 0 HEAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc(-n4cncn4)nc3)cc2)C[C@@H](C)O1 ZINC000040107052 571167441 /nfs/dbraw/zinc/16/74/41/571167441.db2.gz WAHCPMPVTFIRTO-IAGOWNOFSA-N 1 1 406.490 2.202 50 0 HEAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc(OCc4cccnc4)cc3)CC2)CC1 ZINC000040121282 571177249 /nfs/dbraw/zinc/17/72/49/571177249.db2.gz XKXUJIOEYHWUIT-UHFFFAOYSA-N 1 1 422.529 2.287 50 0 HEAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccnc2-n2cncn2)C[C@@H](C)O1 ZINC000040121460 571177500 /nfs/dbraw/zinc/17/75/00/571177500.db2.gz KNTCIARHNNBTRX-IAGOWNOFSA-N 1 1 406.490 2.202 50 0 HEAAMO NS(=O)(=O)c1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000040153707 571201307 /nfs/dbraw/zinc/20/13/07/571201307.db2.gz CHTVYABNXSXDAA-SFHVURJKSA-N 1 1 423.922 2.390 50 0 HEAAMO NS(=O)(=O)c1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000040153707 571201309 /nfs/dbraw/zinc/20/13/09/571201309.db2.gz CHTVYABNXSXDAA-SFHVURJKSA-N 1 1 423.922 2.390 50 0 HEAAMO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CC[NH+](C)CC1 ZINC000069131511 571206356 /nfs/dbraw/zinc/20/63/56/571206356.db2.gz WDVPPSPIJXSLGC-HNNXBMFYSA-N 1 1 414.369 2.075 50 0 HEAAMO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000071842151 571302872 /nfs/dbraw/zinc/30/28/72/571302872.db2.gz AFGKIMRJZBMXNQ-CPNJWEJPSA-N 1 1 423.966 2.438 50 0 HEAAMO CNC(=O)Cc1noc(C[N@H+]2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)n1 ZINC000494577241 571314436 /nfs/dbraw/zinc/31/44/36/571314436.db2.gz YYALRVCOTYKLNR-MRXNPFEDSA-N 1 1 402.495 2.363 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000035513245 571316938 /nfs/dbraw/zinc/31/69/38/571316938.db2.gz QFRGOGPYZPTLPN-FQEVSTJZSA-N 1 1 409.534 2.199 50 0 HEAAMO COCCO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(C)n(C)n3)CC2)C12CCCCC2 ZINC000581802468 1078772412 /nfs/dbraw/zinc/77/24/12/1078772412.db2.gz KPSDMTXPZKXBIS-HXUWFJFHSA-N 1 1 404.555 2.383 50 0 HEAAMO COc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CC[N@H+](C3CCCC3)C4)C2)cn1 ZINC000581792190 1078774577 /nfs/dbraw/zinc/77/45/77/1078774577.db2.gz DEOLFSRAUNCIIM-QGZVFWFLSA-N 1 1 410.522 2.460 50 0 HEAAMO COc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CC[N@@H+](C3CCCC3)C4)C2)cn1 ZINC000581792190 1078774584 /nfs/dbraw/zinc/77/45/84/1078774584.db2.gz DEOLFSRAUNCIIM-QGZVFWFLSA-N 1 1 410.522 2.460 50 0 HEAAMO C[N@H+]1CCCN(C(=O)CN2C(=O)[C@@H](Oc3ccc(F)cc3)C23CCCCC3)CC1 ZINC000581803290 1078780047 /nfs/dbraw/zinc/78/00/47/1078780047.db2.gz SSUZETOPZPSCHM-HXUWFJFHSA-N 1 1 403.498 2.282 50 0 HEAAMO CCOC(=O)CCNC(=O)N1CCC(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000581810142 1078784487 /nfs/dbraw/zinc/78/44/87/1078784487.db2.gz AXBFDJJYNAPKTR-UHFFFAOYSA-N 1 1 417.550 2.436 50 0 HEAAMO CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[N@H+]1C1CCN(Cc2cccc(OC)n2)CC1 ZINC000575550960 1076345083 /nfs/dbraw/zinc/34/50/83/1076345083.db2.gz BEFLDGUTHHVNGT-VXKWHMMOSA-N 1 1 424.545 2.323 50 0 HEAAMO CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C1CC[NH+](Cc2cccc(OC)n2)CC1 ZINC000575550960 1076345089 /nfs/dbraw/zinc/34/50/89/1076345089.db2.gz BEFLDGUTHHVNGT-VXKWHMMOSA-N 1 1 424.545 2.323 50 0 HEAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCCc3c4cc(O)ccc4oc(=O)c32)C1 ZINC000004143878 132272289 /nfs/dbraw/zinc/27/22/89/132272289.db2.gz CJUOREDCAQBHPO-AWEZNQCLSA-N 1 1 414.458 2.053 50 0 HEAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCCc3c4cc(O)ccc4oc(=O)c32)C1 ZINC000004143878 132272293 /nfs/dbraw/zinc/27/22/93/132272293.db2.gz CJUOREDCAQBHPO-AWEZNQCLSA-N 1 1 414.458 2.053 50 0 HEAAMO CC(=O)c1ccc(N2CCN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000012631987 132365492 /nfs/dbraw/zinc/36/54/92/132365492.db2.gz MSLQQKQSOWXCEY-UHFFFAOYSA-N 1 1 420.557 2.356 50 0 HEAAMO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000015773259 132462508 /nfs/dbraw/zinc/46/25/08/132462508.db2.gz DIODJYCMYPDLOE-QHCPKHFHSA-N 1 1 424.520 2.432 50 0 HEAAMO C[N@@H+](CCCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1 ZINC000020574771 522773659 /nfs/dbraw/zinc/77/36/59/522773659.db2.gz CXHSEJDISBFVMU-UHFFFAOYSA-N 1 1 418.544 2.299 50 0 HEAAMO COc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1S(=O)(=O)NC1CCCC1 ZINC000032824267 523653664 /nfs/dbraw/zinc/65/36/64/523653664.db2.gz VEHXNKRZTODFNP-SFHVURJKSA-N 1 1 421.563 2.226 50 0 HEAAMO COc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1S(=O)(=O)NC1CCCC1 ZINC000032824267 523653674 /nfs/dbraw/zinc/65/36/74/523653674.db2.gz VEHXNKRZTODFNP-SFHVURJKSA-N 1 1 421.563 2.226 50 0 HEAAMO CN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000020559371 523898369 /nfs/dbraw/zinc/89/83/69/523898369.db2.gz LEPFSMZMNYPAON-UHFFFAOYSA-N 1 1 410.497 2.169 50 0 HEAAMO C[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000000630924 557026371 /nfs/dbraw/zinc/02/63/71/557026371.db2.gz MWSBFFPFKHXJJA-UHFFFAOYSA-N 1 1 407.923 2.206 50 0 HEAAMO Cc1ccccc1C(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(N3CCCC3)c2C1 ZINC000034676697 557363913 /nfs/dbraw/zinc/36/39/13/557363913.db2.gz BCEXIUYKALBIIO-UHFFFAOYSA-N 1 1 420.561 2.336 50 0 HEAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc3ccccc3c1)CC2)[C@H]1CCCO1 ZINC000019741491 558262013 /nfs/dbraw/zinc/26/20/13/558262013.db2.gz OCOMGZYIXHHSQN-OAQYLSRUSA-N 1 1 419.529 2.327 50 0 HEAAMO O=C(c1cc(COc2ccccc2F)[nH]n1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000019742690 558263033 /nfs/dbraw/zinc/26/30/33/558263033.db2.gz ZTDMFRPGPQMISF-MRXNPFEDSA-N 1 1 402.470 2.312 50 0 HEAAMO O=C(c1cc(COc2ccccc2F)n[nH]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000019742690 558263034 /nfs/dbraw/zinc/26/30/34/558263034.db2.gz ZTDMFRPGPQMISF-MRXNPFEDSA-N 1 1 402.470 2.312 50 0 HEAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1OC ZINC000011668217 558269980 /nfs/dbraw/zinc/26/99/80/558269980.db2.gz CLBJVGSQSFZIPN-SFHVURJKSA-N 1 1 419.547 2.426 50 0 HEAAMO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)NC(C)C)nn3)C2)c(OC)c1OC ZINC000011814233 558278550 /nfs/dbraw/zinc/27/85/50/558278550.db2.gz GCYSGKHFJPLMNP-MRXNPFEDSA-N 1 1 417.510 2.279 50 0 HEAAMO COc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NC(C)C)nn3)C2)c(OC)c1OC ZINC000011814233 558278552 /nfs/dbraw/zinc/27/85/52/558278552.db2.gz GCYSGKHFJPLMNP-MRXNPFEDSA-N 1 1 417.510 2.279 50 0 HEAAMO COC(=O)c1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000019840044 558293597 /nfs/dbraw/zinc/29/35/97/558293597.db2.gz LSKDLPFFGQNYGZ-LJQANCHMSA-N 1 1 413.522 2.346 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000019860416 558297675 /nfs/dbraw/zinc/29/76/75/558297675.db2.gz QJBZIZNTEGBXDA-QGZVFWFLSA-N 1 1 413.971 2.046 50 0 HEAAMO Cc1cccc2[nH]c(CN(C)C(=O)C[C@@H]3C(=O)NCC[N@H+]3CCc3ccccc3)nc21 ZINC000011936412 558300545 /nfs/dbraw/zinc/30/05/45/558300545.db2.gz ATOWHAVNMCJQSH-HXUWFJFHSA-N 1 1 419.529 2.263 50 0 HEAAMO Cc1cccc2[nH]c(CN(C)C(=O)C[C@@H]3C(=O)NCC[N@@H+]3CCc3ccccc3)nc21 ZINC000011936412 558300547 /nfs/dbraw/zinc/30/05/47/558300547.db2.gz ATOWHAVNMCJQSH-HXUWFJFHSA-N 1 1 419.529 2.263 50 0 HEAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)s1 ZINC000020326023 558355669 /nfs/dbraw/zinc/35/56/69/558355669.db2.gz ZIJBJRBLGGDNDY-HNNXBMFYSA-N 1 1 403.552 2.310 50 0 HEAAMO CC[NH+]1CCN(C2CCN(Cc3nc(-c4ccc(C(=O)OC)cc4)no3)CC2)CC1 ZINC000020453918 558367710 /nfs/dbraw/zinc/36/77/10/558367710.db2.gz GDQBPIATRAEGGE-UHFFFAOYSA-N 1 1 413.522 2.125 50 0 HEAAMO COc1ccc(CNCc2cn(C)nc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012453412 558416353 /nfs/dbraw/zinc/41/63/53/558416353.db2.gz HPTOHMXBMUWZRR-FQEVSTJZSA-N 1 1 402.539 2.253 50 0 HEAAMO COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCC[N@@H+](C)CC4)c3C)n2)c1 ZINC000012456019 558417373 /nfs/dbraw/zinc/41/73/73/558417373.db2.gz SUFFMUCYJZXFBQ-UHFFFAOYSA-N 1 1 406.490 2.424 50 0 HEAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc3cccnc3c1)CC2 ZINC000020907034 558421356 /nfs/dbraw/zinc/42/13/56/558421356.db2.gz YNDBGNZQESOGFO-MRXNPFEDSA-N 1 1 408.506 2.098 50 0 HEAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000020947680 558424842 /nfs/dbraw/zinc/42/48/42/558424842.db2.gz OUDFNOZHECFHBS-ZWKOTPCHSA-N 1 1 402.491 2.396 50 0 HEAAMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000020947680 558424844 /nfs/dbraw/zinc/42/48/44/558424844.db2.gz OUDFNOZHECFHBS-ZWKOTPCHSA-N 1 1 402.491 2.396 50 0 HEAAMO C[C@H](CCn1cccn1)NC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020997059 558427104 /nfs/dbraw/zinc/42/71/04/558427104.db2.gz GBKBIYYIOLWTLG-LJQANCHMSA-N 1 1 422.533 2.398 50 0 HEAAMO C[N@@H+](CCCNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)Cc1ccccc1 ZINC000021108617 558430987 /nfs/dbraw/zinc/43/09/87/558430987.db2.gz PKHQPJQFRPSGMN-UHFFFAOYSA-N 1 1 423.922 2.471 50 0 HEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000022770692 558508618 /nfs/dbraw/zinc/50/86/18/558508618.db2.gz ASIRFRZLRPEZPB-UHFFFAOYSA-N 1 1 415.582 2.148 50 0 HEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000022770692 558508620 /nfs/dbraw/zinc/50/86/20/558508620.db2.gz ASIRFRZLRPEZPB-UHFFFAOYSA-N 1 1 415.582 2.148 50 0 HEAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000024610584 558604135 /nfs/dbraw/zinc/60/41/35/558604135.db2.gz UQWSIGJXQWXJIQ-UHFFFAOYSA-N 1 1 413.971 2.046 50 0 HEAAMO C[C@H](C1CC1)[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000024673398 558607246 /nfs/dbraw/zinc/60/72/46/558607246.db2.gz HLEVACHMTBNWDY-QGZVFWFLSA-N 1 1 415.559 2.293 50 0 HEAAMO CCOC(=O)C1C(C[NH+](CC)CC)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013960831 558608753 /nfs/dbraw/zinc/60/87/53/558608753.db2.gz WXWKSULAGSVHDH-LJQANCHMSA-N 1 1 405.495 2.355 50 0 HEAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000024774627 558612442 /nfs/dbraw/zinc/61/24/42/558612442.db2.gz DQBDBICYVJCFKF-QGZVFWFLSA-N 1 1 419.591 2.129 50 0 HEAAMO CN1C(=O)CO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccc(F)c1 ZINC000072241650 558640354 /nfs/dbraw/zinc/64/03/54/558640354.db2.gz VJEWWZINAHLPGT-YADHBBJMSA-N 1 1 411.477 2.068 50 0 HEAAMO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(F)c3F)CC2)cc1 ZINC000014244275 558645722 /nfs/dbraw/zinc/64/57/22/558645722.db2.gz RQPUFXZGVISNMI-UHFFFAOYSA-N 1 1 409.458 2.463 50 0 HEAAMO COc1ccc2cc(CNC(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)ccc2c1 ZINC000026308069 558658999 /nfs/dbraw/zinc/65/89/99/558658999.db2.gz WOGZUUHKUHKUNQ-IRLDBZIGSA-N 1 1 413.518 2.385 50 0 HEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccccc3)[N@H+](CC=C(C)C)C2)nn1 ZINC000014965755 558685665 /nfs/dbraw/zinc/68/56/65/558685665.db2.gz CBRLEZZPFZWJIZ-ICSRJNTNSA-N 1 1 411.506 2.005 50 0 HEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccccc3)[N@@H+](CC=C(C)C)C2)nn1 ZINC000014965755 558685667 /nfs/dbraw/zinc/68/56/67/558685667.db2.gz CBRLEZZPFZWJIZ-ICSRJNTNSA-N 1 1 411.506 2.005 50 0 HEAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014995156 558695874 /nfs/dbraw/zinc/69/58/74/558695874.db2.gz WBIVBVUTTXAYNE-LJQANCHMSA-N 1 1 405.568 2.145 50 0 HEAAMO COC(=O)C1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)CC1 ZINC000015063799 558706489 /nfs/dbraw/zinc/70/64/89/558706489.db2.gz GRWILGNLMDVSNU-LJQANCHMSA-N 1 1 408.539 2.160 50 0 HEAAMO COC(=O)C1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000015063799 558706491 /nfs/dbraw/zinc/70/64/91/558706491.db2.gz GRWILGNLMDVSNU-LJQANCHMSA-N 1 1 408.539 2.160 50 0 HEAAMO COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000029072424 558709471 /nfs/dbraw/zinc/70/94/71/558709471.db2.gz IFWFWVGSDVYJOR-UHFFFAOYSA-N 1 1 423.560 2.107 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000022937547 558725564 /nfs/dbraw/zinc/72/55/64/558725564.db2.gz UHBKWDWZAUDOQU-UHFFFAOYSA-N 1 1 416.595 2.052 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000022937717 558726078 /nfs/dbraw/zinc/72/60/78/558726078.db2.gz KYZSZFMSMCYPKX-HSZRJFAPSA-N 1 1 420.557 2.402 50 0 HEAAMO O=c1c2c(nc3sc(SCc4ccncc4)nn31)CC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000015414324 558738923 /nfs/dbraw/zinc/73/89/23/558738923.db2.gz AWKVTBAJIURFGV-AWEZNQCLSA-N 1 1 415.544 2.375 50 0 HEAAMO O=c1c2c(nc3sc(SCc4ccncc4)nn31)CC[N@H+](C[C@@H]1CCCO1)C2 ZINC000015414324 558738925 /nfs/dbraw/zinc/73/89/25/558738925.db2.gz AWKVTBAJIURFGV-AWEZNQCLSA-N 1 1 415.544 2.375 50 0 HEAAMO COc1cc(CN2CC[N@H+](Cc3cccc4nonc43)C[C@@H]2CCO)cc(OC)c1 ZINC000019223834 558852352 /nfs/dbraw/zinc/85/23/52/558852352.db2.gz CZTIOXKXIIVSSF-SFHVURJKSA-N 1 1 412.490 2.309 50 0 HEAAMO COc1cc(CN2CC[N@@H+](Cc3cccc4nonc43)C[C@@H]2CCO)cc(OC)c1 ZINC000019223834 558852354 /nfs/dbraw/zinc/85/23/54/558852354.db2.gz CZTIOXKXIIVSSF-SFHVURJKSA-N 1 1 412.490 2.309 50 0 HEAAMO Cc1nnc(SCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)o1 ZINC000055052518 558870640 /nfs/dbraw/zinc/87/06/40/558870640.db2.gz RLQXVZSDPDFZPN-GOSISDBHSA-N 1 1 401.536 2.283 50 0 HEAAMO CC(C)n1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071681875 558906627 /nfs/dbraw/zinc/90/66/27/558906627.db2.gz PEFXHUUNFKXWIP-GOSISDBHSA-N 1 1 401.555 2.403 50 0 HEAAMO CCc1cnc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)nc1 ZINC000071747544 558908650 /nfs/dbraw/zinc/90/86/50/558908650.db2.gz DYZVPRMXXCBQSW-HXUWFJFHSA-N 1 1 408.550 2.431 50 0 HEAAMO COc1ccc(C2=NN(CC(=O)NCC[N@@H+](C)Cc3ccccc3)C(=O)CC2)cc1 ZINC000004712556 558917809 /nfs/dbraw/zinc/91/78/09/558917809.db2.gz JWPNICGWCJMRKH-UHFFFAOYSA-N 1 1 408.502 2.270 50 0 HEAAMO Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)[nH+]c(C)n2)c1C ZINC000072119285 558927992 /nfs/dbraw/zinc/92/79/92/558927992.db2.gz MWQHVVNRWFKMRU-UHFFFAOYSA-N 1 1 412.519 2.098 50 0 HEAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1C/C=C/c1ccccc1 ZINC000064006468 558961653 /nfs/dbraw/zinc/96/16/53/558961653.db2.gz LUDKHMSPYJHVKU-XXIKFKTHSA-N 1 1 402.502 2.361 50 0 HEAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@@H](n2cnnn2)C[N@H+]1C/C=C/c1ccccc1 ZINC000064006468 558961657 /nfs/dbraw/zinc/96/16/57/558961657.db2.gz LUDKHMSPYJHVKU-XXIKFKTHSA-N 1 1 402.502 2.361 50 0 HEAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)ncn2)CC1 ZINC000072436943 558980237 /nfs/dbraw/zinc/98/02/37/558980237.db2.gz DBJAMHSMRCTCPP-UHFFFAOYSA-N 1 1 416.529 2.344 50 0 HEAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)[nH+]1 ZINC000072441749 558982009 /nfs/dbraw/zinc/98/20/09/558982009.db2.gz FZHDMCTVRKSHEO-UHFFFAOYSA-N 1 1 419.489 2.396 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)ncn1 ZINC000067622891 558990008 /nfs/dbraw/zinc/99/00/08/558990008.db2.gz UZSXSEAGLYAEGF-UHFFFAOYSA-N 1 1 412.519 2.098 50 0 HEAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[nH+]1 ZINC000067629724 558990290 /nfs/dbraw/zinc/99/02/90/558990290.db2.gz BSLDGAQUTILEBM-UHFFFAOYSA-N 1 1 423.489 2.174 50 0 HEAAMO CCCC[C@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 ZINC000077554682 559009014 /nfs/dbraw/zinc/00/90/14/559009014.db2.gz KVIQWXBKSCTWLY-IBGZPJMESA-N 1 1 402.520 2.285 50 0 HEAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(c3nc(CO)cs3)CC2)C1 ZINC000082091902 559037212 /nfs/dbraw/zinc/03/72/12/559037212.db2.gz MYBZRLWUEUKCPX-KRWDZBQOSA-N 1 1 415.563 2.028 50 0 HEAAMO CCn1cc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082097035 559037599 /nfs/dbraw/zinc/03/75/99/559037599.db2.gz JIPPRPZVBAXZSG-FQEVSTJZSA-N 1 1 410.566 2.291 50 0 HEAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cscn3)CC2)C1 ZINC000082106963 559038222 /nfs/dbraw/zinc/03/82/22/559038222.db2.gz MHNLZAQRNPTSHE-INIZCTEOSA-N 1 1 413.547 2.171 50 0 HEAAMO O=C(NCC1(CO)CCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082114517 559039078 /nfs/dbraw/zinc/03/90/78/559039078.db2.gz MJOJPBOHRCRELE-HXUWFJFHSA-N 1 1 400.567 2.037 50 0 HEAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000023224662 559062600 /nfs/dbraw/zinc/06/26/00/559062600.db2.gz HSGBIBZCLVTEGR-QGZVFWFLSA-N 1 1 402.491 2.274 50 0 HEAAMO CC(C)(CO)CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091526311 559071965 /nfs/dbraw/zinc/07/19/65/559071965.db2.gz QTRROEPHHRJGAQ-OAQYLSRUSA-N 1 1 413.606 2.465 50 0 HEAAMO CC(C)(CO)CNC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000091526311 559071966 /nfs/dbraw/zinc/07/19/66/559071966.db2.gz QTRROEPHHRJGAQ-OAQYLSRUSA-N 1 1 413.606 2.465 50 0 HEAAMO O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000091643486 559072602 /nfs/dbraw/zinc/07/26/02/559072602.db2.gz TXTLOVIIYQTKMI-HXUWFJFHSA-N 1 1 400.567 2.179 50 0 HEAAMO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000247535280 559077815 /nfs/dbraw/zinc/07/78/15/559077815.db2.gz QHPKIRUCLYGSKW-OAGGEKHMSA-N 1 1 400.566 2.116 50 0 HEAAMO CCCn1ncc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)c1C ZINC000095509502 559083696 /nfs/dbraw/zinc/08/36/96/559083696.db2.gz KJSFWNOHTBHZNL-GOSISDBHSA-N 1 1 401.555 2.150 50 0 HEAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(N)=O)C1 ZINC000005223282 560545257 /nfs/dbraw/zinc/54/52/57/560545257.db2.gz HSMVLQKLZWQQAV-UHFFFAOYSA-N 1 1 421.544 2.269 50 0 HEAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C(N)=O)C1 ZINC000005223282 560545259 /nfs/dbraw/zinc/54/52/59/560545259.db2.gz 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2.280 50 0 HEAAMO CCCC[N@@H+](CC)CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839669 568460940 /nfs/dbraw/zinc/46/09/40/568460940.db2.gz NBKOYLUSTQZHFJ-UHFFFAOYSA-N 1 1 404.536 2.226 50 0 HEAAMO Cn1c(=O)cc(SCC(=O)NCCC[NH+]2CCOCC2)c2ccc(Cl)cc21 ZINC000020234284 568595493 /nfs/dbraw/zinc/59/54/93/568595493.db2.gz LFIGOPUQSSVGOM-UHFFFAOYSA-N 1 1 409.939 2.123 50 0 HEAAMO Cc1cc(=O)nc2c3ccccc3n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)n21 ZINC000020464801 568610202 /nfs/dbraw/zinc/61/02/02/568610202.db2.gz OSEONQRXPNDUEF-UHFFFAOYSA-N 1 1 415.497 2.302 50 0 HEAAMO Cc1cccc([S@](=O)Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)o2)c1 ZINC000020514520 568622446 /nfs/dbraw/zinc/62/24/46/568622446.db2.gz JFNAVYRGKIIKCG-NDEPHWFRSA-N 1 1 403.548 2.263 50 0 HEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2 ZINC000020531849 568627502 /nfs/dbraw/zinc/62/75/02/568627502.db2.gz MZSYZWPAKUMPBG-GOSISDBHSA-N 1 1 405.539 2.012 50 0 biogenic HEAAMO CC(C)OC(=O)COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000095473642 568628927 /nfs/dbraw/zinc/62/89/27/568628927.db2.gz AGNLOKXPVMNJKD-UHFFFAOYSA-N 1 1 400.475 2.288 50 0 HEAAMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000095983265 568675591 /nfs/dbraw/zinc/67/55/91/568675591.db2.gz QHWXWQSNQZDZEK-OAHLLOKOSA-N 1 1 415.625 2.463 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)c2cccc(-n3c(C)nc4cccnc43)c2)CC1 ZINC000021530201 568710612 /nfs/dbraw/zinc/71/06/12/568710612.db2.gz BGIJRBLYJAWPRN-UHFFFAOYSA-N 1 1 406.534 2.486 50 0 HEAAMO COc1cccc(NC(=O)Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000021658494 568734908 /nfs/dbraw/zinc/73/49/08/568734908.db2.gz CRMOBLMRZVKDOY-UHFFFAOYSA-N 1 1 404.470 2.449 50 0 HEAAMO COc1cccc(NC(=O)Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000021658494 568734910 /nfs/dbraw/zinc/73/49/10/568734910.db2.gz CRMOBLMRZVKDOY-UHFFFAOYSA-N 1 1 404.470 2.449 50 0 HEAAMO Cc1ccccc1CN(c1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000000983148 568760326 /nfs/dbraw/zinc/76/03/26/568760326.db2.gz GBKAQXYINAQJRH-UHFFFAOYSA-N 1 1 401.532 2.349 50 0 HEAAMO OCC[NH+]1CCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000082055728 568819087 /nfs/dbraw/zinc/81/90/87/568819087.db2.gz YROSPBQXYVDYAU-OAQYLSRUSA-N 1 1 406.473 2.042 50 0 HEAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2 ZINC000002941227 568819160 /nfs/dbraw/zinc/81/91/60/568819160.db2.gz FWPIJAKCXWYLJB-NRFANRHFSA-N 1 1 420.579 2.241 50 0 HEAAMO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(OC)c1O ZINC000012507607 568839650 /nfs/dbraw/zinc/83/96/50/568839650.db2.gz GOZQROYOGHQNRE-GOSISDBHSA-N 1 1 411.418 2.017 50 0 HEAAMO COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2=O)c1 ZINC000230209303 568855004 /nfs/dbraw/zinc/85/50/04/568855004.db2.gz FWRCJYBVEAARJG-SCTDSRPQSA-N 1 1 415.534 2.437 50 0 biogenic HEAAMO Cc1nc[nH]c1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299765817 568873718 /nfs/dbraw/zinc/87/37/18/568873718.db2.gz BSTUVRFNYOWCBJ-LJQANCHMSA-N 1 1 402.470 2.128 50 0 HEAAMO Cc1nccnc1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299796830 568876335 /nfs/dbraw/zinc/87/63/35/568876335.db2.gz OLYIKKMFBOJGQZ-HXUWFJFHSA-N 1 1 414.481 2.195 50 0 HEAAMO CC[C@](C)(CNC(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000031162311 568916746 /nfs/dbraw/zinc/91/67/46/568916746.db2.gz ZMKFWSWKFNFETD-JTHBVZDNSA-N 1 1 418.582 2.168 50 0 HEAAMO COc1ccccc1CCC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670452071 568927151 /nfs/dbraw/zinc/92/71/51/568927151.db2.gz LDAZDLZEDYZQRG-FMGHMSBISA-N 1 1 405.542 2.312 50 0 HEAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)CC2)cn1 ZINC000084318483 568946212 /nfs/dbraw/zinc/94/62/12/568946212.db2.gz SNEKCNVXYQDXKJ-UHFFFAOYSA-N 1 1 416.501 2.136 50 0 HEAAMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(N4CCOCC4)c(F)c3)CC2)cn1 ZINC000084318483 568946214 /nfs/dbraw/zinc/94/62/14/568946214.db2.gz SNEKCNVXYQDXKJ-UHFFFAOYSA-N 1 1 416.501 2.136 50 0 HEAAMO O=C(NCC1(N2CCOCC2)CCCCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012763486 568947072 /nfs/dbraw/zinc/94/70/72/568947072.db2.gz OZYXVJSPOIYPRD-UHFFFAOYSA-N 1 1 422.614 2.356 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000004196672 568951354 /nfs/dbraw/zinc/95/13/54/568951354.db2.gz HJPWBUMVCQDWDK-UHFFFAOYSA-N 1 1 401.532 2.431 50 0 HEAAMO O=C(CCc1nnc2ccc(N3CCCC3)nn21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015678710 568966457 /nfs/dbraw/zinc/96/64/57/568966457.db2.gz ACWLRIYEHQWSTE-UHFFFAOYSA-N 1 1 419.533 2.002 50 0 HEAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cccc3cccc(Cl)c32)C1 ZINC000670470917 568998203 /nfs/dbraw/zinc/99/82/03/568998203.db2.gz BJBFNZJOXBXJME-HNNXBMFYSA-N 1 1 409.939 2.359 50 0 HEAAMO COc1ccc(OCC(=O)NCc2c3c(c(OC)c4c2CC[N@@H+](C)C4)OCO3)cc1 ZINC000012897901 569020431 /nfs/dbraw/zinc/02/04/31/569020431.db2.gz KUOLBZKWSSLNGT-UHFFFAOYSA-N 1 1 414.458 2.116 50 0 biogenic HEAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016043095 569028267 /nfs/dbraw/zinc/02/82/67/569028267.db2.gz WTRIPEXILBIFLU-QPXQOZNCSA-N 1 1 403.438 2.126 50 0 biogenic HEAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016043095 569028268 /nfs/dbraw/zinc/02/82/68/569028268.db2.gz WTRIPEXILBIFLU-QPXQOZNCSA-N 1 1 403.438 2.126 50 0 biogenic HEAAMO CN1CCC([NH2+]CCc2c[nH]c3ccccc23)(c2nnnn2Cc2cccnc2)CC1 ZINC000575443924 569028534 /nfs/dbraw/zinc/02/85/34/569028534.db2.gz XUHBJHDTNUZUDJ-UHFFFAOYSA-N 1 1 416.533 2.351 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)C2CCN(C(=O)c3cccnc3)CC2)ccn1 ZINC000053397786 569030504 /nfs/dbraw/zinc/03/05/04/569030504.db2.gz IQCRUXVYWLKKQY-UHFFFAOYSA-N 1 1 404.474 2.139 50 0 HEAAMO C[C@H](C(=O)Nc1ccccc1F)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016341399 569031645 /nfs/dbraw/zinc/03/16/45/569031645.db2.gz RUMCRGDBTIFXGO-GOSISDBHSA-N 1 1 412.509 2.429 50 0 HEAAMO C[C@H]1CCCN1C(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000225328344 569039863 /nfs/dbraw/zinc/03/98/63/569039863.db2.gz YZNYCCKMSMJLHZ-ROUUACIJSA-N 1 1 424.586 2.273 50 0 HEAAMO CCOC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 ZINC000026772187 569056550 /nfs/dbraw/zinc/05/65/50/569056550.db2.gz PGYFRFCVPWSCKX-BODURUDLSA-N 1 1 406.523 2.046 50 0 biogenic HEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247754185 569057468 /nfs/dbraw/zinc/05/74/68/569057468.db2.gz VMBKIMCBAZTGFJ-BDXSIMOUSA-N 1 1 411.820 2.480 50 0 HEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247754185 569057469 /nfs/dbraw/zinc/05/74/69/569057469.db2.gz VMBKIMCBAZTGFJ-BDXSIMOUSA-N 1 1 411.820 2.480 50 0 HEAAMO COc1ccc(S(=O)(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000026873817 569059647 /nfs/dbraw/zinc/05/96/47/569059647.db2.gz HHGXUKYMSBKWQY-OAQYLSRUSA-N 1 1 403.548 2.352 50 0 HEAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@H](Cc1ccccc1)[NH+](C)C ZINC000089512565 569062161 /nfs/dbraw/zinc/06/21/61/569062161.db2.gz SHMHSAIGIFTFGN-UXHICEINSA-N 1 1 404.580 2.122 50 0 HEAAMO COc1ccc(S(=O)(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000036389856 569165557 /nfs/dbraw/zinc/16/55/57/569165557.db2.gz HHGXUKYMSBKWQY-NRFANRHFSA-N 1 1 403.548 2.352 50 0 HEAAMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014329282 569259630 /nfs/dbraw/zinc/25/96/30/569259630.db2.gz IWVLIFPTWCVUQU-CQSZACIVSA-N 1 1 417.506 2.365 50 0 HEAAMO CCCS(=O)(=O)N1CCC2(CC1)C[C@H](N1CC[NH+](CC(C)C)CC1)CCO2 ZINC000581819845 569321030 /nfs/dbraw/zinc/32/10/30/569321030.db2.gz OMCDHLWNJPGAMH-LJQANCHMSA-N 1 1 401.617 2.013 50 0 HEAAMO CCN(CC)C(=O)[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1OC(C)=O ZINC000137804425 569359429 /nfs/dbraw/zinc/35/94/29/569359429.db2.gz JSZILQVIPPROJI-CEXWTWQISA-N 1 1 404.507 2.423 50 0 world HEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000253412416 569366655 /nfs/dbraw/zinc/36/66/55/569366655.db2.gz QYJMHEORFNFIPU-YTQUADARSA-N 1 1 416.522 2.203 50 0 biogenic HEAAMO CCOc1cc([C@@H]2NC(=O)NC(C[NH+]3CCCCCC3)=C2C(=O)OC)ccc1O ZINC000067285651 571064030 /nfs/dbraw/zinc/06/40/30/571064030.db2.gz LWWDKJOMCORCBH-IBGZPJMESA-N 1 1 403.479 2.448 50 0 HEAAMO Cn1ccc2c1cccc2C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670473490 571101910 /nfs/dbraw/zinc/10/19/10/571101910.db2.gz HKFIASCYGVXGFG-JXHKIWKSSA-N 1 1 400.526 2.476 50 0 HEAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C ZINC000008725093 571108034 /nfs/dbraw/zinc/10/80/34/571108034.db2.gz XAQPMFSAIJMFFS-MRXNPFEDSA-N 1 1 424.505 2.047 50 0 HEAAMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000040080547 571155844 /nfs/dbraw/zinc/15/58/44/571155844.db2.gz LGHMUFUPTOSVEC-KRWDZBQOSA-N 1 1 415.559 2.307 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 ZINC000040089508 571159382 /nfs/dbraw/zinc/15/93/82/571159382.db2.gz NIIBLWOZKMYJSZ-IBGZPJMESA-N 1 1 408.974 2.238 50 0 HEAAMO Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000069878029 571248048 /nfs/dbraw/zinc/24/80/48/571248048.db2.gz OKMBCXKQKBQHJL-UHFFFAOYSA-N 1 1 423.439 2.405 50 0 HEAAMO CC(C)[C@@H](CNC(=O)COc1ccc(CC(N)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000071831121 571302615 /nfs/dbraw/zinc/30/26/15/571302615.db2.gz MWYUBTOJYMCNGC-JOCHJYFZSA-N 1 1 409.530 2.292 50 0 HEAAMO CNC(=O)Cc1noc(C[N@H+]2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)n1 ZINC000494577239 571314464 /nfs/dbraw/zinc/31/44/64/571314464.db2.gz YYALRVCOTYKLNR-INIZCTEOSA-N 1 1 402.495 2.363 50 0 HEAAMO CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)NCc1ccc3c(c1)OCO3)C[C@H]1CCC[N@H+]12 ZINC000057992547 571315464 /nfs/dbraw/zinc/31/54/64/571315464.db2.gz JHDICUUHRMEMBU-BUKPSGGLSA-N 1 1 419.481 2.388 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC000581774517 1078748812 /nfs/dbraw/zinc/74/88/12/1078748812.db2.gz YTKNUHRPZQFCOM-UHFFFAOYSA-N 1 1 411.543 2.171 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCc2nc(-c3ccccc3)ncc2C1=O ZINC000581787509 1078760804 /nfs/dbraw/zinc/76/08/04/1078760804.db2.gz NUQRLPFITFVKGQ-GOSISDBHSA-N 1 1 407.518 2.133 50 0 HEAAMO CC[NH+]1CCN(C(=O)CN2C(=O)[C@@H](Oc3ccc(F)cc3)C23CCCCC3)CC1 ZINC000581801762 1078771093 /nfs/dbraw/zinc/77/10/93/1078771093.db2.gz CLXGMGIVOUVJIZ-HXUWFJFHSA-N 1 1 403.498 2.282 50 0 HEAAMO C[N@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)NCCc1ccccc1)CC2 ZINC000581802493 1078772207 /nfs/dbraw/zinc/77/22/07/1078772207.db2.gz ITGDHLQYEXJVBT-NRFANRHFSA-N 1 1 400.567 2.057 50 0 HEAAMO C[N@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802671 1078772529 /nfs/dbraw/zinc/77/25/29/1078772529.db2.gz MOILPBIZXCMKSG-FQEVSTJZSA-N 1 1 422.529 2.020 50 0 HEAAMO COc1ccc(N2C(=O)C3(CCCCC3)[C@@H]2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000581822202 1078790997 /nfs/dbraw/zinc/79/09/97/1078790997.db2.gz XRBCOHCCBLPKBI-FQEVSTJZSA-N 1 1 415.534 2.199 50 0 HEAAMO CC(C)[N@H+]1C[C@H](Oc2ccccc2)[C@@H]1C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000581813329 1078782653 /nfs/dbraw/zinc/78/26/53/1078782653.db2.gz XRZMSIKKYUNEHI-FPOVZHCZSA-N 1 1 418.563 2.361 50 0 HEAAMO CC[C@@H]1CN(C(=O)c2ccc(N3CCC4(CC3)OCCO4)nc2)CC[N@H+]1C(C)C ZINC000012752086 132366576 /nfs/dbraw/zinc/36/65/76/132366576.db2.gz MVIBFCPVSVVOMF-LJQANCHMSA-N 1 1 402.539 2.370 50 0 HEAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2Br)CC1 ZINC000031932824 519875702 /nfs/dbraw/zinc/87/57/02/519875702.db2.gz AJHHLVLQFQVTPV-UHFFFAOYSA-N 1 1 400.292 2.309 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)CC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000032974203 521679724 /nfs/dbraw/zinc/67/97/24/521679724.db2.gz BRERBEKAKJGAKO-UHFFFAOYSA-N 1 1 414.594 2.381 50 0 HEAAMO COc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1S(=O)(=O)NC1CCCC1 ZINC000032824263 523653595 /nfs/dbraw/zinc/65/35/95/523653595.db2.gz VEHXNKRZTODFNP-GOSISDBHSA-N 1 1 421.563 2.226 50 0 HEAAMO COc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1S(=O)(=O)NC1CCCC1 ZINC000032824263 523653608 /nfs/dbraw/zinc/65/36/08/523653608.db2.gz VEHXNKRZTODFNP-GOSISDBHSA-N 1 1 421.563 2.226 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000032931760 525519738 /nfs/dbraw/zinc/51/97/38/525519738.db2.gz QHLWJFWZGGGMRU-UXHICEINSA-N 1 1 405.564 2.139 50 0 HEAAMO NC(=O)[C@@H]1CCCCN1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032751441 526960433 /nfs/dbraw/zinc/96/04/33/526960433.db2.gz UAQMERLALRIXIF-QFIPXVFZSA-N 1 1 420.557 2.260 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)c1csc(NC(=O)c2ccc(F)c(F)c2)n1 ZINC000040355642 527673166 /nfs/dbraw/zinc/67/31/66/527673166.db2.gz YAYCKEJHUQBABJ-UHFFFAOYSA-N 1 1 410.446 2.126 50 0 HEAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000004616949 557573072 /nfs/dbraw/zinc/57/30/72/557573072.db2.gz AURYINVWDGXJFN-LJQANCHMSA-N 1 1 401.507 2.475 50 0 HEAAMO COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022714091 557801816 /nfs/dbraw/zinc/80/18/16/557801816.db2.gz GICRNUOJSUOFQM-UHFFFAOYSA-N 1 1 422.460 2.338 50 0 HEAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011879974 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418.586 2.219 50 0 HEAAMO COc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCOc4ccccc4)CC3)C2=O)cc1 ZINC000102701083 560820165 /nfs/dbraw/zinc/82/01/65/560820165.db2.gz QNGZWQNAHXPGJC-NRFANRHFSA-N 1 1 409.486 2.024 50 0 HEAAMO O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000048300025 568437291 /nfs/dbraw/zinc/43/72/91/568437291.db2.gz PTNJPCIQRHHZPL-KRWDZBQOSA-N 1 1 404.308 2.392 50 0 HEAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000048325949 568438828 /nfs/dbraw/zinc/43/88/28/568438828.db2.gz QOODKMAVZLNLSA-ICSRJNTNSA-N 1 1 407.580 2.468 50 0 HEAAMO COc1ccc(CNC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000049400732 568447545 /nfs/dbraw/zinc/44/75/45/568447545.db2.gz SKTRYEWJXHPLND-UHFFFAOYSA-N 1 1 418.497 2.127 50 0 HEAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012296523 568462661 /nfs/dbraw/zinc/46/26/61/568462661.db2.gz QTLPGCJEUOKZQE-PZJWPPBQSA-N 1 1 419.591 2.468 50 0 biogenic HEAAMO CCc1nn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3occc3n21 ZINC000020416707 568606151 /nfs/dbraw/zinc/60/61/51/568606151.db2.gz FIYHNDOFQGLXOE-UHFFFAOYSA-N 1 1 419.485 2.149 50 0 HEAAMO COC(=O)[C@]1(C)CCN(c2cc(C)nc([C@H](C)[N@@H+]3CC[C@@](C)(C(=O)OC)C3)n2)C1 ZINC000095452724 568615300 /nfs/dbraw/zinc/61/53/00/568615300.db2.gz KCUYWGSOUPXUCI-IWMITWMQSA-N 1 1 404.511 2.120 50 0 HEAAMO COC(=O)[C@]1(C)CCN(c2cc(C)nc([C@H](C)[N@H+]3CC[C@@](C)(C(=O)OC)C3)n2)C1 ZINC000095452724 568615304 /nfs/dbraw/zinc/61/53/04/568615304.db2.gz KCUYWGSOUPXUCI-IWMITWMQSA-N 1 1 404.511 2.120 50 0 HEAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000095463202 568621782 /nfs/dbraw/zinc/62/17/82/568621782.db2.gz YXGUQOYTOFEZDC-CYBMUJFWSA-N 1 1 408.296 2.409 50 0 HEAAMO CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000020531896 568627573 /nfs/dbraw/zinc/62/75/73/568627573.db2.gz PZGBJWWNDFLXTH-MRXNPFEDSA-N 1 1 421.538 2.232 50 0 biogenic HEAAMO O=C(NCCC[NH+]1CCOCC1)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000020900465 568649569 /nfs/dbraw/zinc/64/95/69/568649569.db2.gz GKVROMDUKRTMSC-UHFFFAOYSA-N 1 1 418.567 2.161 50 0 HEAAMO COCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)CC1 ZINC000012386689 568680084 /nfs/dbraw/zinc/68/00/84/568680084.db2.gz JIQJUZMESJWOCF-QFIPXVFZSA-N 1 1 409.530 2.415 50 0 HEAAMO COCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)CC1 ZINC000012386689 568680087 /nfs/dbraw/zinc/68/00/87/568680087.db2.gz JIQJUZMESJWOCF-QFIPXVFZSA-N 1 1 409.530 2.415 50 0 HEAAMO Cc1ccc2ncnc(N3CC[NH+]([C@H]4CCCN(C5CCOCC5)C4=O)CC3)c2c1 ZINC000095999458 568680646 /nfs/dbraw/zinc/68/06/46/568680646.db2.gz ORRGPTLSIGXNNV-NRFANRHFSA-N 1 1 409.534 2.230 50 0 HEAAMO Cc1cccc2c1ncnc2N1CC[NH+]([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000095999449 568680650 /nfs/dbraw/zinc/68/06/50/568680650.db2.gz PPKPRWPZHMBXRU-HXUWFJFHSA-N 1 1 409.534 2.230 50 0 HEAAMO Cc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)OCC(=O)N2C)cc1 ZINC000096182388 568702753 /nfs/dbraw/zinc/70/27/53/568702753.db2.gz PXYFNZKUDUGGKM-DHIUTWEWSA-N 1 1 407.514 2.238 50 0 HEAAMO C[NH+]1CCN(C(=O)[C@H]2CN(C(=O)C3CC3)C[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000096211308 568704567 /nfs/dbraw/zinc/70/45/67/568704567.db2.gz XBIYZRIBKXRZOG-ROUUACIJSA-N 1 1 409.452 2.431 50 0 HEAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc2)c1N ZINC000021652084 568730039 /nfs/dbraw/zinc/73/00/39/568730039.db2.gz NDBJNIPHHXUXAN-MRXNPFEDSA-N 1 1 413.522 2.483 50 0 HEAAMO Cc1ccc(-n2c3ncccc3n(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2=O)cc1 ZINC000096385609 568742039 /nfs/dbraw/zinc/74/20/39/568742039.db2.gz IBHWPCRIIMLYHA-SFHVURJKSA-N 1 1 407.518 2.486 50 0 HEAAMO Cc1cc(C)cc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000015103213 568755938 /nfs/dbraw/zinc/75/59/38/568755938.db2.gz UPWPVROQQKWOOX-MRXNPFEDSA-N 1 1 405.520 2.289 50 0 HEAAMO Cc1cc(C)cc(OCC[N@H+](C)[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000015103213 568755940 /nfs/dbraw/zinc/75/59/40/568755940.db2.gz UPWPVROQQKWOOX-MRXNPFEDSA-N 1 1 405.520 2.289 50 0 HEAAMO COCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000021880550 568757120 /nfs/dbraw/zinc/75/71/20/568757120.db2.gz NGWHUMOWNMCZRB-UHFFFAOYSA-N 1 1 418.494 2.119 50 0 HEAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000003283945 568872196 /nfs/dbraw/zinc/87/21/96/568872196.db2.gz UAEJEJGYAMOWMT-UHFFFAOYSA-N 1 1 410.474 2.083 50 0 HEAAMO CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C(C)C)cc1 ZINC000012735287 568924686 /nfs/dbraw/zinc/92/46/86/568924686.db2.gz VFTKPBCXZZGQOK-NHCUHLMSSA-N 1 1 419.566 2.313 50 0 HEAAMO CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@@H]4CCC[N@@H+]4CC)nc(C)n3n2)cc1 ZINC000015672118 568962597 /nfs/dbraw/zinc/96/25/97/568962597.db2.gz LEDYDUANPYAHMT-IBGZPJMESA-N 1 1 422.533 2.029 50 0 HEAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786773 569007647 /nfs/dbraw/zinc/00/76/47/569007647.db2.gz HLFIKBMJTAKXNI-HNNXBMFYSA-N 1 1 406.508 2.038 50 0 HEAAMO COc1cc(CN2CC[N@H+](Cc3cccc4nonc43)C[C@H]2CCO)cc(OC)c1 ZINC000104426012 569008761 /nfs/dbraw/zinc/00/87/61/569008761.db2.gz CZTIOXKXIIVSSF-GOSISDBHSA-N 1 1 412.490 2.309 50 0 HEAAMO COc1cc(CN2CC[N@@H+](Cc3cccc4nonc43)C[C@H]2CCO)cc(OC)c1 ZINC000104426012 569008762 /nfs/dbraw/zinc/00/87/62/569008762.db2.gz CZTIOXKXIIVSSF-GOSISDBHSA-N 1 1 412.490 2.309 50 0 HEAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(OCCO)cc3)C[C@H]2CCO)c(F)c1 ZINC000105902748 569009193 /nfs/dbraw/zinc/00/91/93/569009193.db2.gz VDFRHWDFVBBTFB-HXUWFJFHSA-N 1 1 418.509 2.274 50 0 HEAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(OCCO)cc3)C[C@H]2CCO)c(F)c1 ZINC000105902748 569009194 /nfs/dbraw/zinc/00/91/94/569009194.db2.gz VDFRHWDFVBBTFB-HXUWFJFHSA-N 1 1 418.509 2.274 50 0 HEAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000583652903 569009360 /nfs/dbraw/zinc/00/93/60/569009360.db2.gz SKWVAMXOLBQJSB-RTWAWAEBSA-N 1 1 415.582 2.433 50 0 HEAAMO Cc1cccc(Cn2c(C[N@H+]3C[C@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006199737 569031512 /nfs/dbraw/zinc/03/15/12/569031512.db2.gz ZQPBBOXNOSKIPT-CALCHBBNSA-N 1 1 409.534 2.268 50 0 HEAAMO Cc1cccc(Cn2c(C[N@@H+]3C[C@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006199737 569031513 /nfs/dbraw/zinc/03/15/13/569031513.db2.gz ZQPBBOXNOSKIPT-CALCHBBNSA-N 1 1 409.534 2.268 50 0 HEAAMO C[C@@H](C(=O)Nc1ccccc1F)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016341400 569031683 /nfs/dbraw/zinc/03/16/83/569031683.db2.gz RUMCRGDBTIFXGO-SFHVURJKSA-N 1 1 412.509 2.429 50 0 HEAAMO O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000032987898 569047885 /nfs/dbraw/zinc/04/78/85/569047885.db2.gz SAXFXRLTODRJIS-HYGBKTPJSA-N 1 1 411.546 2.262 50 0 HEAAMO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)C2=O ZINC000239672608 569054467 /nfs/dbraw/zinc/05/44/67/569054467.db2.gz BUBQRGONOBVTEE-VLMPBXDWSA-N 1 1 404.555 2.066 50 0 HEAAMO CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035973891 569069652 /nfs/dbraw/zinc/06/96/52/569069652.db2.gz GJKYLCLYBYJDCE-YADHBBJMSA-N 1 1 404.514 2.436 50 0 HEAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COC(C)(C)C)cc1OC ZINC000036095591 569089824 /nfs/dbraw/zinc/08/98/24/569089824.db2.gz CAINMOMNRPFSGL-IBGZPJMESA-N 1 1 410.555 2.014 50 0 HEAAMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062010 569165966 /nfs/dbraw/zinc/16/59/66/569165966.db2.gz QGVBHYMJUHBGHF-UHFFFAOYSA-N 1 1 420.000 2.356 50 0 HEAAMO Cc1cc(C)c2c(n1)nc(C(=O)NCCC[NH+]1CCOCC1)nc2N1CCCCC1 ZINC000065232027 569201291 /nfs/dbraw/zinc/20/12/91/569201291.db2.gz PLKXXIWLGYBXGZ-UHFFFAOYSA-N 1 1 412.538 2.084 50 0 HEAAMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000170597462 569242125 /nfs/dbraw/zinc/24/21/25/569242125.db2.gz UHIRYFKLLCIKNV-LJQANCHMSA-N 1 1 411.502 2.418 50 0 HEAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000007525144 569245782 /nfs/dbraw/zinc/24/57/82/569245782.db2.gz TUAXLNXIWYVBQZ-AWEZNQCLSA-N 1 1 417.934 2.186 50 0 HEAAMO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000170616718 569247643 /nfs/dbraw/zinc/24/76/43/569247643.db2.gz VKNZLQZGJXSERP-GFCCVEGCSA-N 1 1 405.973 2.356 50 0 HEAAMO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000170616718 569247645 /nfs/dbraw/zinc/24/76/45/569247645.db2.gz VKNZLQZGJXSERP-GFCCVEGCSA-N 1 1 405.973 2.356 50 0 HEAAMO O=C(CCCC[NH+]1CCOCC1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000170619856 569248178 /nfs/dbraw/zinc/24/81/78/569248178.db2.gz IKWFVDCDMPGLAC-IBGZPJMESA-N 1 1 404.511 2.428 50 0 HEAAMO CC(C)S(=O)(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000249691544 569255473 /nfs/dbraw/zinc/25/54/73/569255473.db2.gz LOWAXNWMGRPBTM-SPOLIRPYSA-N 1 1 401.617 2.356 50 0 HEAAMO CC(C)S(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000249691544 569255472 /nfs/dbraw/zinc/25/54/72/569255472.db2.gz LOWAXNWMGRPBTM-SPOLIRPYSA-N 1 1 401.617 2.356 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000013691747 569257315 /nfs/dbraw/zinc/25/73/15/569257315.db2.gz WDKZIRCIAYUKBA-ACBHZAAOSA-N 1 1 407.580 2.372 50 0 HEAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000002314405 569373065 /nfs/dbraw/zinc/37/30/65/569373065.db2.gz QCFUAISXPCKNAJ-SNVBAGLBSA-N 1 1 406.870 2.132 50 0 HEAAMO O=S(=O)(c1cccs1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000019796851 569430187 /nfs/dbraw/zinc/43/01/87/569430187.db2.gz XJYDYODGOSSMPJ-IRXDYDNUSA-N 1 1 424.569 2.001 50 0 HEAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286669 571064888 /nfs/dbraw/zinc/06/48/88/571064888.db2.gz NXIOEXSOHOZZLO-LJQANCHMSA-N 1 1 403.479 2.361 50 0 HEAAMO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3CC[NH+](CC)CC3)cc2[n-]c1=S ZINC000008661816 571099676 /nfs/dbraw/zinc/09/96/76/571099676.db2.gz OEWLPWKGIXEBBL-UHFFFAOYSA-N 1 1 417.579 2.179 50 0 HEAAMO C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000040080549 571155804 /nfs/dbraw/zinc/15/58/04/571155804.db2.gz LGHMUFUPTOSVEC-QGZVFWFLSA-N 1 1 415.559 2.307 50 0 HEAAMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000040154238 571201409 /nfs/dbraw/zinc/20/14/09/571201409.db2.gz SSQNWPPTKHPCNA-SFHVURJKSA-N 1 1 407.561 2.281 50 0 HEAAMO Cn1cnc(S(=O)(=O)N2CCC([N@H+]3C[C@H](OCC4CC4)C34CCCCC4)CC2)c1 ZINC000575317157 1076231596 /nfs/dbraw/zinc/23/15/96/1076231596.db2.gz CRLHGRHMVCNFTE-IBGZPJMESA-N 1 1 422.595 2.387 50 0 HEAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012437375 132359984 /nfs/dbraw/zinc/35/99/84/132359984.db2.gz LBMOWEZVTCXNDJ-IBGZPJMESA-N 1 1 404.942 2.122 50 0 HEAAMO CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000020536205 519799585 /nfs/dbraw/zinc/79/95/85/519799585.db2.gz DATBDFXDNVFIOO-QGZVFWFLSA-N 1 1 411.959 2.236 50 0 HEAAMO CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@H+](Cc1ccccc1Cl)CC2 ZINC000020536205 519799586 /nfs/dbraw/zinc/79/95/86/519799586.db2.gz DATBDFXDNVFIOO-QGZVFWFLSA-N 1 1 411.959 2.236 50 0 HEAAMO CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000020536207 519821351 /nfs/dbraw/zinc/82/13/51/519821351.db2.gz DATBDFXDNVFIOO-KRWDZBQOSA-N 1 1 411.959 2.236 50 0 HEAAMO CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[N@H+](Cc1ccccc1Cl)CC2 ZINC000020536207 519821352 /nfs/dbraw/zinc/82/13/52/519821352.db2.gz DATBDFXDNVFIOO-KRWDZBQOSA-N 1 1 411.959 2.236 50 0 HEAAMO CCN(CC)CC[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000022877291 520688090 /nfs/dbraw/zinc/68/80/90/520688090.db2.gz NZBLQHKOOABDOX-UHFFFAOYSA-N 1 1 410.584 2.040 50 0 HEAAMO C[NH+]1CCN([C@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)c2cccs2)CC1 ZINC000022804860 523921270 /nfs/dbraw/zinc/92/12/70/523921270.db2.gz ADQBUOMFKUISNK-GOSISDBHSA-N 1 1 421.588 2.011 50 0 HEAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)CC2)cc1 ZINC000032964504 524446543 /nfs/dbraw/zinc/44/65/43/524446543.db2.gz URLGBJLJLSVHSC-LJQANCHMSA-N 1 1 419.529 2.368 50 0 HEAAMO Cc1ccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3c2cnn3C)cc1Cl ZINC000020560384 525326734 /nfs/dbraw/zinc/32/67/34/525326734.db2.gz VARDSVGFAMPLSH-UHFFFAOYSA-N 1 1 401.902 2.183 50 0 HEAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1cc(F)cc(Br)c1 ZINC000032930907 526490334 /nfs/dbraw/zinc/49/03/34/526490334.db2.gz BMMDAWVFONXLKF-LRDDRELGSA-N 1 1 401.276 2.055 50 0 HEAAMO NC(=O)[C@H]1CCCCN1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032751443 527000020 /nfs/dbraw/zinc/00/00/20/527000020.db2.gz UAQMERLALRIXIF-JOCHJYFZSA-N 1 1 420.557 2.260 50 0 HEAAMO O=C(NCc1ccccc1)c1coc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000034677065 557364105 /nfs/dbraw/zinc/36/41/05/557364105.db2.gz QMENPAQUCOQESU-JOCHJYFZSA-N 1 1 420.513 2.456 50 0 HEAAMO O=C(NCc1ccccc1)c1coc(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000034677064 557364191 /nfs/dbraw/zinc/36/41/91/557364191.db2.gz QMENPAQUCOQESU-QFIPXVFZSA-N 1 1 420.513 2.456 50 0 HEAAMO C[NH+]1CCN(c2nc(N3CCCC3)nc3c2CN(C(=O)c2cccs2)CC3)CC1 ZINC000034676924 557364232 /nfs/dbraw/zinc/36/42/32/557364232.db2.gz ANUPSHVAUXGPKL-UHFFFAOYSA-N 1 1 412.563 2.089 50 0 HEAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 ZINC000034682387 557383996 /nfs/dbraw/zinc/38/39/96/557383996.db2.gz PCJQSAQVUPUQNW-UHFFFAOYSA-N 1 1 408.546 2.405 50 0 HEAAMO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCC([N@H+]2CCC[C@H](C)C2)CC1 ZINC000022640035 557490100 /nfs/dbraw/zinc/49/01/00/557490100.db2.gz FMZMNTFAXSBHDB-HNNXBMFYSA-N 1 1 400.527 2.239 50 0 HEAAMO CCn1c(C)cc(O)c([C@H](c2ccccc2Cl)N2CC[NH+](CCO)CC2)c1=O ZINC000022696972 557783745 /nfs/dbraw/zinc/78/37/45/557783745.db2.gz RWTHUBBZVZBEJB-FQEVSTJZSA-N 1 1 405.926 2.235 50 0 HEAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697066 557783880 /nfs/dbraw/zinc/78/38/80/557783880.db2.gz MVFPHJPGAMRSIP-HXUWFJFHSA-N 1 1 405.926 2.235 50 0 HEAAMO OCc1ccc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741781 558262235 /nfs/dbraw/zinc/26/22/35/558262235.db2.gz BPDLYGNHKVPCHV-IBGZPJMESA-N 1 1 413.518 2.283 50 0 HEAAMO OCc1ccc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741781 558262236 /nfs/dbraw/zinc/26/22/36/558262236.db2.gz BPDLYGNHKVPCHV-IBGZPJMESA-N 1 1 413.518 2.283 50 0 HEAAMO COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000019744331 558264711 /nfs/dbraw/zinc/26/47/11/558264711.db2.gz UKBZDDJXMUEPMS-JOCHJYFZSA-N 1 1 413.562 2.281 50 0 HEAAMO COc1ccc(-c2noc(C[N@H+](C[C@H]3CCC(=O)N3)C(C)C)n2)c(OC)c1OC ZINC000011878233 558292434 /nfs/dbraw/zinc/29/24/34/558292434.db2.gz VBFPMQIONRHHBJ-CYBMUJFWSA-N 1 1 404.467 2.251 50 0 HEAAMO COc1ccc(-c2noc(C[N@@H+](C[C@H]3CCC(=O)N3)C(C)C)n2)c(OC)c1OC ZINC000011878233 558292438 /nfs/dbraw/zinc/29/24/38/558292438.db2.gz VBFPMQIONRHHBJ-CYBMUJFWSA-N 1 1 404.467 2.251 50 0 HEAAMO C[NH+]1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)CC1 ZINC000019897962 558304320 /nfs/dbraw/zinc/30/43/20/558304320.db2.gz MQGGODAXHLZUQK-GXDHUFHOSA-N 1 1 424.320 2.259 50 0 HEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1OC ZINC000012035510 558311875 /nfs/dbraw/zinc/31/18/75/558311875.db2.gz ZQFZLYWJMULULG-HNNXBMFYSA-N 1 1 401.511 2.187 50 0 HEAAMO CC[NH+]1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000020026861 558322533 /nfs/dbraw/zinc/32/25/33/558322533.db2.gz IIMPFQLGNCBKLL-UHFFFAOYSA-N 1 1 417.531 2.055 50 0 HEAAMO CCN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000020046324 558327398 /nfs/dbraw/zinc/32/73/98/558327398.db2.gz PFUUFOHJWCNUEJ-UHFFFAOYSA-N 1 1 401.532 2.042 50 0 HEAAMO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[NH2+]CCCOC(C)C)cc2)CC1 ZINC000012430730 558405494 /nfs/dbraw/zinc/40/54/94/558405494.db2.gz FRDTYKNEABEXIX-NRFANRHFSA-N 1 1 422.566 2.216 50 0 HEAAMO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)s1 ZINC000020782184 558413119 /nfs/dbraw/zinc/41/31/19/558413119.db2.gz PEKDXXKINLQMOJ-RTBURBONSA-N 1 1 418.538 2.297 50 0 HEAAMO C[C@@H]1C[NH+](CCNC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)C[C@@H](C)O1 ZINC000022612094 558502280 /nfs/dbraw/zinc/50/22/80/558502280.db2.gz HTYDWFSIPHVBLP-IAGOWNOFSA-N 1 1 423.513 2.441 50 0 HEAAMO CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000023089574 558534104 /nfs/dbraw/zinc/53/41/04/558534104.db2.gz UFWYJSWXIFSORM-OAQYLSRUSA-N 1 1 406.486 2.095 50 0 HEAAMO O=C(NCc1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2)[C@@H]1CCOC1 ZINC000023128902 558536534 /nfs/dbraw/zinc/53/65/34/558536534.db2.gz DFZBCXRBNVLUHZ-OAHLLOKOSA-N 1 1 423.439 2.008 50 0 HEAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2)[C@@H]1CCOC1 ZINC000023128902 558536538 /nfs/dbraw/zinc/53/65/38/558536538.db2.gz DFZBCXRBNVLUHZ-OAHLLOKOSA-N 1 1 423.439 2.008 50 0 HEAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1ccccc1)CC2 ZINC000023337422 558549673 /nfs/dbraw/zinc/54/96/73/558549673.db2.gz KSAGNDSBUFKSHF-UHFFFAOYSA-N 1 1 407.493 2.377 50 0 HEAAMO CC[NH+]1CCN(C(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 ZINC000024608065 558603306 /nfs/dbraw/zinc/60/33/06/558603306.db2.gz YHQXUBYYZNMOFC-UHFFFAOYSA-N 1 1 403.479 2.166 50 0 HEAAMO CC[N@H+](CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)Cc1ccccc1 ZINC000014202143 558637333 /nfs/dbraw/zinc/63/73/33/558637333.db2.gz JEPQYVAJNIXDIG-JOCHJYFZSA-N 1 1 410.474 2.016 50 0 HEAAMO CC[N@@H+](CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)Cc1ccccc1 ZINC000014202143 558637336 /nfs/dbraw/zinc/63/73/36/558637336.db2.gz JEPQYVAJNIXDIG-JOCHJYFZSA-N 1 1 410.474 2.016 50 0 HEAAMO CN1C(=O)CO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccc(F)c1 ZINC000072241649 558640434 /nfs/dbraw/zinc/64/04/34/558640434.db2.gz VJEWWZINAHLPGT-FCHUYYIVSA-N 1 1 411.477 2.068 50 0 HEAAMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000014240904 558643741 /nfs/dbraw/zinc/64/37/41/558643741.db2.gz RVVRFGCBBZRMBD-MRXNPFEDSA-N 1 1 411.527 2.401 50 0 HEAAMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000014240904 558643742 /nfs/dbraw/zinc/64/37/42/558643742.db2.gz RVVRFGCBBZRMBD-MRXNPFEDSA-N 1 1 411.527 2.401 50 0 HEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000014247134 558648017 /nfs/dbraw/zinc/64/80/17/558648017.db2.gz ALJDHLRVKXQNKJ-HZPDHXFCSA-N 1 1 401.507 2.067 50 0 HEAAMO COc1ccc2cc(CNC(=O)NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)ccc2c1 ZINC000026308077 558659022 /nfs/dbraw/zinc/65/90/22/558659022.db2.gz WOGZUUHKUHKUNQ-UNMCSNQZSA-N 1 1 413.518 2.385 50 0 HEAAMO COC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026455895 558660995 /nfs/dbraw/zinc/66/09/95/558660995.db2.gz BVDXLXKEEVSGNH-LJQANCHMSA-N 1 1 403.479 2.361 50 0 HEAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCO)C[N@H+](Cc2ccccc2)C1 ZINC000014745833 558668958 /nfs/dbraw/zinc/66/89/58/558668958.db2.gz OILHSNFQKOAKBY-FCHUYYIVSA-N 1 1 421.541 2.361 50 0 HEAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000014948505 558680329 /nfs/dbraw/zinc/68/03/29/558680329.db2.gz BWLQPITXLIZPSY-UHFFFAOYSA-N 1 1 414.901 2.208 50 0 HEAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CN1C(=O)CSC1=O ZINC000014974829 558688889 /nfs/dbraw/zinc/68/88/89/558688889.db2.gz VTSBVAYCHVXUKT-OAHLLOKOSA-N 1 1 407.511 2.234 50 0 HEAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000014980048 558690788 /nfs/dbraw/zinc/69/07/88/558690788.db2.gz KZQDGUOARSETHU-UHFFFAOYSA-N 1 1 409.490 2.301 50 0 HEAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000022938068 558726597 /nfs/dbraw/zinc/72/65/97/558726597.db2.gz ZKIDMGXOQJCIML-QFIPXVFZSA-N 1 1 408.546 2.497 50 0 HEAAMO CCCC[N@@H+](CC)CCCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000004563734 558733369 /nfs/dbraw/zinc/73/33/69/558733369.db2.gz WZPGIBOMXNOHEQ-UHFFFAOYSA-N 1 1 414.550 2.136 50 0 HEAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016022326 558768174 /nfs/dbraw/zinc/76/81/74/558768174.db2.gz WDEINBOUOXDXJQ-CMCWBKRRSA-N 1 1 401.466 2.156 50 0 HEAAMO COC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087019 558772786 /nfs/dbraw/zinc/77/27/86/558772786.db2.gz JEWBGQYMZCBVPN-DJJJIMSYSA-N 1 1 403.479 2.359 50 0 HEAAMO COC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087019 558772787 /nfs/dbraw/zinc/77/27/87/558772787.db2.gz JEWBGQYMZCBVPN-DJJJIMSYSA-N 1 1 403.479 2.359 50 0 HEAAMO COC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087019 558772789 /nfs/dbraw/zinc/77/27/89/558772789.db2.gz JEWBGQYMZCBVPN-DJJJIMSYSA-N 1 1 403.479 2.359 50 0 HEAAMO COC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087019 558772791 /nfs/dbraw/zinc/77/27/91/558772791.db2.gz JEWBGQYMZCBVPN-DJJJIMSYSA-N 1 1 403.479 2.359 50 0 HEAAMO O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)c(Cl)c1)N1CCNCC1 ZINC000035422063 558791698 /nfs/dbraw/zinc/79/16/98/558791698.db2.gz PIWXGESYSXYXSN-UHFFFAOYSA-N 1 1 424.948 2.229 50 0 HEAAMO Cc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)c1 ZINC000035422026 558791816 /nfs/dbraw/zinc/79/18/16/558791816.db2.gz WTYUNURDYCSXOJ-FQEVSTJZSA-N 1 1 400.567 2.134 50 0 HEAAMO Cc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000035422026 558791818 /nfs/dbraw/zinc/79/18/18/558791818.db2.gz WTYUNURDYCSXOJ-FQEVSTJZSA-N 1 1 400.567 2.134 50 0 HEAAMO COc1ccc(Cl)cc1C(=O)NCCNc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC000038488294 558811579 /nfs/dbraw/zinc/81/15/79/558811579.db2.gz OEWMHPOSLCWILN-UHFFFAOYSA-N 1 1 405.886 2.126 50 0 HEAAMO Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@H+](C)CC3)c2=O)c1 ZINC000097938434 558824966 /nfs/dbraw/zinc/82/49/66/558824966.db2.gz LRLCABPLZUYDSO-UHFFFAOYSA-N 1 1 411.506 2.273 50 0 HEAAMO O=C(Nc1cccc(C(=O)NCCC[NH+]2CCOCC2)c1)c1nnc(C2CC2)s1 ZINC000033022981 558838436 /nfs/dbraw/zinc/83/84/36/558838436.db2.gz WRUBQDGGERAZIC-UHFFFAOYSA-N 1 1 415.519 2.120 50 0 HEAAMO CC(C)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1 ZINC000046140854 558839707 /nfs/dbraw/zinc/83/97/07/558839707.db2.gz LJGBLUZFUZBNHQ-UHFFFAOYSA-N 1 1 401.960 2.063 50 0 HEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000046960006 558841468 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CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000014198597 559156851 /nfs/dbraw/zinc/15/68/51/559156851.db2.gz LISZSDJOWZRSLA-HXUWFJFHSA-N 1 1 417.531 2.186 50 0 HEAAMO Cc1ccccc1Cn1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930081 559209047 /nfs/dbraw/zinc/20/90/47/559209047.db2.gz VBJCGGSVJKDKAX-HZPDHXFCSA-N 1 1 409.534 2.268 50 0 HEAAMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000004971480 559220531 /nfs/dbraw/zinc/22/05/31/559220531.db2.gz FUGTZBGMOGUTED-MRXNPFEDSA-N 1 1 405.564 2.386 50 0 HEAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CNS(C)(=O)=O)C3)C2)cc1 ZINC000426436544 559271579 /nfs/dbraw/zinc/27/15/79/559271579.db2.gz KUNSOCNJFCUNTJ-NRFANRHFSA-N 1 1 407.580 2.174 50 0 HEAAMO COc1ccc(CCN2C(=O)C[C@H]([N@H+](C)CCOc3ccccc3)C2=O)cc1OC ZINC000102930309 560836035 /nfs/dbraw/zinc/83/60/35/560836035.db2.gz WGMVPLPKCSYJIT-IBGZPJMESA-N 1 1 412.486 2.385 50 0 HEAAMO COc1ccc(CCN2C(=O)C[C@H]([N@@H+](C)CCOc3ccccc3)C2=O)cc1OC 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/nfs/dbraw/zinc/04/19/18/569041918.db2.gz WCNZFGYMLKXDJL-HXUWFJFHSA-N 1 1 404.532 2.395 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCNc2c(-c3cccc(OC)c3)nc3cnccn32)CC1 ZINC000064759135 569090463 /nfs/dbraw/zinc/09/04/63/569090463.db2.gz PRCAKCMHYQPJJZ-UHFFFAOYSA-N 1 1 408.506 2.371 50 0 HEAAMO CCOc1ccc(Nc2nc(-c3cnc(N4CC[NH+](C)CC4)nc3C)cc(=O)[nH]2)cc1 ZINC000036235636 569115250 /nfs/dbraw/zinc/11/52/50/569115250.db2.gz FVKHVULLXMVLGH-UHFFFAOYSA-N 1 1 421.505 2.429 50 0 HEAAMO Cn1cccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000036342435 569142150 /nfs/dbraw/zinc/14/21/50/569142150.db2.gz SWBTYSMZIOJMNZ-HXUWFJFHSA-N 1 1 411.481 2.039 50 0 HEAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)NC(=O)N[C@H]1CC ZINC000036433551 569182397 /nfs/dbraw/zinc/18/23/97/569182397.db2.gz LKUWUFHSJBLAIG-WBVHZDCISA-N 1 1 414.506 2.246 50 0 HEAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)NC(=O)N[C@H]1CC ZINC000036433551 569182398 /nfs/dbraw/zinc/18/23/98/569182398.db2.gz LKUWUFHSJBLAIG-WBVHZDCISA-N 1 1 414.506 2.246 50 0 HEAAMO CCCC[N@@H+](CC)CCNC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000006943719 569186909 /nfs/dbraw/zinc/18/69/09/569186909.db2.gz KXIYFLOXBIXBGV-UHFFFAOYSA-N 1 1 424.549 2.437 50 0 HEAAMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000089775046 569263397 /nfs/dbraw/zinc/26/33/97/569263397.db2.gz OBEAFSWUUZUGKS-LEWJYISDSA-N 1 1 417.525 2.073 50 0 HEAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 ZINC000089885237 569267716 /nfs/dbraw/zinc/26/77/16/569267716.db2.gz ILIVEOONLHEVLB-UHFFFAOYSA-N 1 1 408.550 2.453 50 0 HEAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000252452598 569286443 /nfs/dbraw/zinc/28/64/43/569286443.db2.gz QOODKMAVZLNLSA-AZUAARDMSA-N 1 1 407.580 2.468 50 0 HEAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007641425 569298316 /nfs/dbraw/zinc/29/83/16/569298316.db2.gz JHCCCUVYPIHYOQ-AWEZNQCLSA-N 1 1 419.503 2.125 50 0 HEAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007641425 569298317 /nfs/dbraw/zinc/29/83/17/569298317.db2.gz JHCCCUVYPIHYOQ-AWEZNQCLSA-N 1 1 419.503 2.125 50 0 HEAAMO Clc1cccc(Oc2cc(N3CC[NH+](CCN4CCOCC4)CC3)ncn2)c1 ZINC000037623882 569310787 /nfs/dbraw/zinc/31/07/87/569310787.db2.gz QDUXKLNYZRWRAT-UHFFFAOYSA-N 1 1 403.914 2.377 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000253388023 569365004 /nfs/dbraw/zinc/36/50/04/569365004.db2.gz WDKZIRCIAYUKBA-FHWLQOOXSA-N 1 1 407.580 2.372 50 0 HEAAMO NC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253412021 569366637 /nfs/dbraw/zinc/36/66/37/569366637.db2.gz PQVCJKJKUAMLLA-MRXNPFEDSA-N 1 1 414.458 2.110 50 0 biogenic HEAAMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCCc2ccccc2)cc1 ZINC000013371378 569412844 /nfs/dbraw/zinc/41/28/44/569412844.db2.gz LDOAYMTVFWMISU-PMACEKPBSA-N 1 1 407.557 2.157 50 0 HEAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000670472608 571096930 /nfs/dbraw/zinc/09/69/30/571096930.db2.gz RSHBFJZEYXDMSR-ZDUSSCGKSA-N 1 1 402.322 2.198 50 0 HEAAMO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000009528425 571266181 /nfs/dbraw/zinc/26/61/81/571266181.db2.gz ZSMOLEJEXNURTP-SFHVURJKSA-N 1 1 409.577 2.299 50 0 HEAAMO CC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC[N@H+]1CCc3ccccc3C1)CCO2 ZINC000581786396 1078766656 /nfs/dbraw/zinc/76/66/56/1078766656.db2.gz VASKMIJLKDOWAY-FQEVSTJZSA-N 1 1 413.562 2.359 50 0 HEAAMO C[N@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)NCCc1ccccc1)CC2 ZINC000581802496 1078772510 /nfs/dbraw/zinc/77/25/10/1078772510.db2.gz ITGDHLQYEXJVBT-OAQYLSRUSA-N 1 1 400.567 2.057 50 0 HEAAMO C[N@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802825 1078772519 /nfs/dbraw/zinc/77/25/19/1078772519.db2.gz PPAYJYWIJPGKIU-FQEVSTJZSA-N 1 1 408.546 2.494 50 0 HEAAMO COCCn1c(C)c[nH+]c1[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000581815402 1078785948 /nfs/dbraw/zinc/78/59/48/1078785948.db2.gz 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Cc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@@H](O)COc3ccccc3F)CC2)cc1 ZINC000032814792 525528671 /nfs/dbraw/zinc/52/86/71/525528671.db2.gz DCXOHDCEBGOJAR-GOSISDBHSA-N 1 1 422.522 2.270 50 0 HEAAMO CCNC(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3ccccc3F)c2C1 ZINC000034757482 557459173 /nfs/dbraw/zinc/45/91/73/557459173.db2.gz XTKGVHPJVFNGMM-UHFFFAOYSA-N 1 1 414.485 2.247 50 0 HEAAMO CCNC(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(Oc3cccc(C)c3)c2C1 ZINC000034757396 557459250 /nfs/dbraw/zinc/45/92/50/557459250.db2.gz PMHXQSRDMQUHNP-UHFFFAOYSA-N 1 1 410.522 2.417 50 0 HEAAMO CC(C)[NH+]1CCN(C(=O)c2n[nH]c3c2CN(C(=O)C=Cc2ccccc2)CC3)CC1 ZINC000034790018 557469792 /nfs/dbraw/zinc/46/97/92/557469792.db2.gz PJCWWYHUQOMUKH-CMDGGOBGSA-N 1 1 407.518 2.174 50 0 HEAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000002395305 557705967 /nfs/dbraw/zinc/70/59/67/557705967.db2.gz LXLVCOFSXIDKLU-CYBMUJFWSA-N 1 1 417.462 2.129 50 0 HEAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000019743770 558264546 /nfs/dbraw/zinc/26/45/46/558264546.db2.gz WPQXVPQGEFVNAK-QHCPKHFHSA-N 1 1 418.534 2.132 50 0 HEAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000011783706 558275482 /nfs/dbraw/zinc/27/54/82/558275482.db2.gz FMIBJLHHPKLYGD-HNNXBMFYSA-N 1 1 407.474 2.355 50 0 HEAAMO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000011879517 558294209 /nfs/dbraw/zinc/29/42/09/558294209.db2.gz CCUQRRIRNQGLRC-UHFFFAOYSA-N 1 1 418.490 2.200 50 0 HEAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CCN2CCCC2=O)C1 ZINC000011933015 558297843 /nfs/dbraw/zinc/29/78/43/558297843.db2.gz CUXDMCHTXOQMNY-LJQANCHMSA-N 1 1 401.551 2.421 50 0 HEAAMO COc1cccc(C[N@H+](C)Cc2cccs2)c1OC[C@@H](O)CN1CCOCC1 ZINC000012055440 558315582 /nfs/dbraw/zinc/31/55/82/558315582.db2.gz XICGWCXJPZHXSI-SFHVURJKSA-N 1 1 406.548 2.461 50 0 HEAAMO COc1cccc(C[N@@H+](C)Cc2cccs2)c1OC[C@@H](O)CN1CCOCC1 ZINC000012055440 558315584 /nfs/dbraw/zinc/31/55/84/558315584.db2.gz XICGWCXJPZHXSI-SFHVURJKSA-N 1 1 406.548 2.461 50 0 HEAAMO CCOC(=O)Cc1csc(NC(=O)CN2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000020167779 558343170 /nfs/dbraw/zinc/34/31/70/558343170.db2.gz XDXIQDJEPGXMCJ-UHFFFAOYSA-N 1 1 416.547 2.313 50 0 HEAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000020995474 558426795 /nfs/dbraw/zinc/42/67/95/558426795.db2.gz UMPABHHHSCQFBO-UHFFFAOYSA-N 1 1 419.529 2.383 50 0 HEAAMO COc1cc(CNCc2ccccc2F)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000012570641 558428746 /nfs/dbraw/zinc/42/87/46/558428746.db2.gz XQDLKMSWXASQAT-FQEVSTJZSA-N 1 1 418.509 2.321 50 0 HEAAMO CN(C(=O)c1cnc2ccccn2c1=O)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012584038 558433631 /nfs/dbraw/zinc/43/36/31/558433631.db2.gz XTWWKJJTZSSCEO-LJQANCHMSA-N 1 1 402.498 2.398 50 0 HEAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)Cn3nnc4ccccc4c3=O)n2)C1 ZINC000022295861 558477047 /nfs/dbraw/zinc/47/70/47/558477047.db2.gz KMUFFYDTCPJKBS-KBPBESRZSA-N 1 1 412.519 2.365 50 0 HEAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cc(=O)n(C)c(=O)n1C)CC2 ZINC000022357554 558482702 /nfs/dbraw/zinc/48/27/02/558482702.db2.gz XVAPPIMQENENGF-QHCPKHFHSA-N 1 1 421.497 2.249 50 0 HEAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)CC2 ZINC000022357554 558482703 /nfs/dbraw/zinc/48/27/03/558482703.db2.gz XVAPPIMQENENGF-QHCPKHFHSA-N 1 1 421.497 2.249 50 0 HEAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)C1 ZINC000004385501 558482840 /nfs/dbraw/zinc/48/28/40/558482840.db2.gz SEVUNENTHZQWCK-HUUCEWRRSA-N 1 1 413.497 2.099 50 0 HEAAMO CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1 ZINC000013010611 558502925 /nfs/dbraw/zinc/50/29/25/558502925.db2.gz JXRPBVKKWOUXGW-UHFFFAOYSA-N 1 1 417.531 2.168 50 0 HEAAMO CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1 ZINC000013010611 558502928 /nfs/dbraw/zinc/50/29/28/558502928.db2.gz JXRPBVKKWOUXGW-UHFFFAOYSA-N 1 1 417.531 2.168 50 0 HEAAMO C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022800138 558513026 /nfs/dbraw/zinc/51/30/26/558513026.db2.gz 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CC[N@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccc2c(c1)OCO2 ZINC000014814142 558674042 /nfs/dbraw/zinc/67/40/42/558674042.db2.gz WXXZTLPJDNRMNI-UHFFFAOYSA-N 1 1 405.401 2.270 50 0 HEAAMO CC[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1ccc2c(c1)OCO2 ZINC000014814142 558674043 /nfs/dbraw/zinc/67/40/43/558674043.db2.gz WXXZTLPJDNRMNI-UHFFFAOYSA-N 1 1 405.401 2.270 50 0 HEAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CN2CCCCC2=O)C1 ZINC000014965782 558685548 /nfs/dbraw/zinc/68/55/48/558685548.db2.gz SBFCFARETAJERW-IBGZPJMESA-N 1 1 401.551 2.421 50 0 HEAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1 ZINC000014973169 558688049 /nfs/dbraw/zinc/68/80/49/558688049.db2.gz JMOFJIVECACOBK-FQEVSTJZSA-N 1 1 411.550 2.298 50 0 HEAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1 ZINC000014973173 558688147 /nfs/dbraw/zinc/68/81/47/558688147.db2.gz JMOFJIVECACOBK-HXUWFJFHSA-N 1 1 411.550 2.298 50 0 HEAAMO COCCOC1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)CC1 ZINC000014974413 558688704 /nfs/dbraw/zinc/68/87/04/558688704.db2.gz SQZZWRKRUVEARV-UHFFFAOYSA-N 1 1 407.467 2.390 50 0 HEAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014995154 558695866 /nfs/dbraw/zinc/69/58/66/558695866.db2.gz WBIVBVUTTXAYNE-IBGZPJMESA-N 1 1 405.568 2.145 50 0 HEAAMO CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)o1 ZINC000015004459 558698817 /nfs/dbraw/zinc/69/88/17/558698817.db2.gz FGUWZDVZLCHPPS-INIZCTEOSA-N 1 1 414.554 2.011 50 0 HEAAMO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)NC(=O)NCc1ccccc1 ZINC000015524498 558742447 /nfs/dbraw/zinc/74/24/47/558742447.db2.gz QIIMQZUFAQDSCH-UHFFFAOYSA-N 1 1 408.502 2.041 50 0 HEAAMO O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000072306039 558762770 /nfs/dbraw/zinc/76/27/70/558762770.db2.gz PZYLWCRGURBKTI-OALUTQOASA-N 1 1 407.536 2.076 50 0 HEAAMO CCCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)s1 ZINC000033011162 558830565 /nfs/dbraw/zinc/83/05/65/558830565.db2.gz MOPHHACJDHJUJX-UHFFFAOYSA-N 1 1 417.535 2.195 50 0 HEAAMO CCCC[N@@H+](C)CCNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000004598144 558834134 /nfs/dbraw/zinc/83/41/34/558834134.db2.gz MRQRHKINSAIIOC-UHFFFAOYSA-N 1 1 414.550 2.344 50 0 HEAAMO O=C([C@@H]1COCC[NH2+]1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067965707 558862204 /nfs/dbraw/zinc/86/22/04/558862204.db2.gz IHERTWLORSKTQB-INIZCTEOSA-N 1 1 411.483 2.378 50 0 HEAAMO CCOC(=O)c1cc2cc(NC(=O)NC3CC[NH+](CC(=O)NC)CC3)ccc2s1 ZINC000057994185 558893397 /nfs/dbraw/zinc/89/33/97/558893397.db2.gz DHZBZIJEKNJJNC-UHFFFAOYSA-N 1 1 418.519 2.410 50 0 HEAAMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000058010582 558895067 /nfs/dbraw/zinc/89/50/67/558895067.db2.gz NKSAZTYMQSHJIV-QFIPXVFZSA-N 1 1 422.508 2.469 50 0 HEAAMO CC(C)c1cncnc1N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071419126 558897585 /nfs/dbraw/zinc/89/75/85/558897585.db2.gz YXJGBGUDBXEJDY-SFHVURJKSA-N 1 1 401.555 2.140 50 0 HEAAMO CC(=O)Nc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1Cl ZINC000058086319 558898199 /nfs/dbraw/zinc/89/81/99/558898199.db2.gz FBORWMYKXPSJEE-KBXCAEBGSA-N 1 1 410.902 2.157 50 0 HEAAMO O=C([C@@H]1CCC[N@H+](C2CCN(S(=O)(=O)c3cccs3)CC2)C1)N1CCCC1 ZINC000071708148 558907181 /nfs/dbraw/zinc/90/71/81/558907181.db2.gz OMYGKVNYFVZNIH-MRXNPFEDSA-N 1 1 411.593 2.236 50 0 HEAAMO O=C(c1cccc(F)c1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071745607 558908221 /nfs/dbraw/zinc/90/82/21/558908221.db2.gz GCVNMFIQFVDZMG-GOSISDBHSA-N 1 1 403.498 2.001 50 0 HEAAMO Cn1ncc(Cl)c1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071748933 558908697 /nfs/dbraw/zinc/90/86/97/558908697.db2.gz KYQHMQSDEGPMBI-OAHLLOKOSA-N 1 1 407.946 2.013 50 0 HEAAMO Cc1cccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)c1C ZINC000072117723 558927759 /nfs/dbraw/zinc/92/77/59/558927759.db2.gz QGZGWCBOJJRZBE-UHFFFAOYSA-N 1 1 409.538 2.199 50 0 HEAAMO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000063150902 558957746 /nfs/dbraw/zinc/95/77/46/558957746.db2.gz 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CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4Cc5ccccc5C4)cc3)nn2)C[NH2+]1 ZINC000067818396 558993405 /nfs/dbraw/zinc/99/34/05/558993405.db2.gz ZQMNKQSPZZXDJL-RTWAWAEBSA-N 1 1 402.502 2.110 50 0 HEAAMO CCc1nnc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082086674 559036764 /nfs/dbraw/zinc/03/67/64/559036764.db2.gz UWMCJAPQEWHQHW-SFHVURJKSA-N 1 1 412.538 2.020 50 0 HEAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccon3)CC2)C1 ZINC000082097143 559037593 /nfs/dbraw/zinc/03/75/93/559037593.db2.gz WSHGRQDSTGRVEF-IBGZPJMESA-N 1 1 410.518 2.350 50 0 HEAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000082097914 559037779 /nfs/dbraw/zinc/03/77/79/559037779.db2.gz XBZFHGSXKGBIGM-FQEVSTJZSA-N 1 1 407.518 2.110 50 0 HEAAMO CN(CCn1cccn1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082099642 559038099 /nfs/dbraw/zinc/03/80/99/559038099.db2.gz JTNIPBAWRZCNFO-OAQYLSRUSA-N 1 1 410.566 2.113 50 0 HEAAMO Cc1cnc(C)c(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082108472 559038688 /nfs/dbraw/zinc/03/86/88/559038688.db2.gz LOEWUMSHXAXEEI-LJQANCHMSA-N 1 1 408.550 2.486 50 0 HEAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)on1 ZINC000082136792 559040300 /nfs/dbraw/zinc/04/03/00/559040300.db2.gz LRCWZISNYMXQHU-GOSISDBHSA-N 1 1 411.506 2.011 50 0 HEAAMO Cc1noc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082136847 559040348 /nfs/dbraw/zinc/04/03/48/559040348.db2.gz WQNHVQCINRETTF-HXUWFJFHSA-N 1 1 411.550 2.413 50 0 HEAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000082139072 559040725 /nfs/dbraw/zinc/04/07/25/559040725.db2.gz PZKXVESXEKVTAR-SFHVURJKSA-N 1 1 407.518 2.110 50 0 HEAAMO Cc1nc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)no1 ZINC000082160367 559041727 /nfs/dbraw/zinc/04/17/27/559041727.db2.gz HPGOJVARMIGLRZ-LJQANCHMSA-N 1 1 412.538 2.108 50 0 HEAAMO CCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791655 559065500 /nfs/dbraw/zinc/06/55/00/559065500.db2.gz CDEBSBVTOPQQDC-UHFFFAOYSA-N 1 1 422.529 2.394 50 0 HEAAMO OCCC[C@@H]1C[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)CC[C@@H]1N1CCOCC1 ZINC000095366152 559080107 /nfs/dbraw/zinc/08/01/07/559080107.db2.gz PSOHXOJEBSMAFL-KNQAVFIVSA-N 1 1 402.514 2.307 50 0 HEAAMO OCCC[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095366152 559080109 /nfs/dbraw/zinc/08/01/09/559080109.db2.gz PSOHXOJEBSMAFL-KNQAVFIVSA-N 1 1 402.514 2.307 50 0 HEAAMO COc1cc2c(cc1CN1CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C1)CCC2 ZINC000095375365 559080381 /nfs/dbraw/zinc/08/03/81/559080381.db2.gz ZJEZKIRLLCJQHJ-GGAORHGYSA-N 1 1 401.595 2.394 50 0 HEAAMO COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CN2CCC(c3ccncn3)CC2)c1 ZINC000095517541 559084773 /nfs/dbraw/zinc/08/47/73/559084773.db2.gz OFKNWQSAFHPAGY-IBGZPJMESA-N 1 1 400.523 2.166 50 0 HEAAMO Cc1ccccc1Cn1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930078 559209003 /nfs/dbraw/zinc/20/90/03/559209003.db2.gz VBJCGGSVJKDKAX-HOTGVXAUSA-N 1 1 409.534 2.268 50 0 HEAAMO CCC(=O)N1CCc2cc(S(=O)(=O)NCC[N@H+](C)Cc3ccccc3)ccc21 ZINC000004969210 559218862 /nfs/dbraw/zinc/21/88/62/559218862.db2.gz UEFRXGQXVOBGFP-UHFFFAOYSA-N 1 1 401.532 2.396 50 0 HEAAMO CCC(=O)N1CCc2cc(S(=O)(=O)NCC[N@@H+](C)Cc3ccccc3)ccc21 ZINC000004969210 559218864 /nfs/dbraw/zinc/21/88/64/559218864.db2.gz UEFRXGQXVOBGFP-UHFFFAOYSA-N 1 1 401.532 2.396 50 0 HEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000409415195 559251169 /nfs/dbraw/zinc/25/11/69/559251169.db2.gz WKZMPKKUEWVKAY-XUVXKRRUSA-N 1 1 412.534 2.220 50 0 HEAAMO Cc1[nH+]ccn1-c1ccc(N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)nn1 ZINC000062165267 560583959 /nfs/dbraw/zinc/58/39/59/560583959.db2.gz JGFYFAWAXANVAV-QGZVFWFLSA-N 1 1 420.473 2.232 50 0 HEAAMO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000034262846 560595737 /nfs/dbraw/zinc/59/57/37/560595737.db2.gz CQWNDXGVDUSZRS-JKSUJKDBSA-N 1 1 420.488 2.473 50 0 biogenic HEAAMO CC[N@H+]1CCC[C@@H]1CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000101701738 560798428 /nfs/dbraw/zinc/79/84/28/560798428.db2.gz OIGJBMPHGVHCCE-QGZVFWFLSA-N 1 1 402.926 2.159 50 0 HEAAMO Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H](N2CC[NH+](CC(C)C)CC2)CCO3)cn1 ZINC000575317316 560855622 /nfs/dbraw/zinc/85/56/22/560855622.db2.gz ZFXJYBSPRLFNSP-FQEVSTJZSA-N 1 1 415.582 2.212 50 0 HEAAMO CCOC(=O)C1=C(CN2CC[NH+](C(C)C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318483 560858672 /nfs/dbraw/zinc/85/86/72/560858672.db2.gz RBSSRPYEKXRBBY-HXUWFJFHSA-N 1 1 400.523 2.192 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)ccn1 ZINC000047012632 560879709 /nfs/dbraw/zinc/87/97/09/560879709.db2.gz WTWCAEWUGVGKMD-UHFFFAOYSA-N 1 1 400.442 2.111 50 0 HEAAMO NC(=O)[C@H]1CC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)=NN1c1ccccc1 ZINC000109050146 568420941 /nfs/dbraw/zinc/42/09/41/568420941.db2.gz ZEHBMWWUZJHNST-IFMALSPDSA-N 1 1 419.529 2.278 50 0 HEAAMO CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCN(CC)CC1 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STJFWMUEKGFAJP-AWEZNQCLSA-N 1 1 409.446 2.149 50 0 HEAAMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)C2CCCCC2)cc1 ZINC000019943180 558314290 /nfs/dbraw/zinc/31/42/90/558314290.db2.gz PULCAGYVDHVHEL-UHFFFAOYSA-N 1 1 423.579 2.183 50 0 HEAAMO O[C@H](COc1ccc2c(c1)CCC2)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019958611 558315281 /nfs/dbraw/zinc/31/52/81/558315281.db2.gz CJJBYDGVCVMLSU-NRFANRHFSA-N 1 1 410.514 2.462 50 0 HEAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccc(N2CC(=O)NC2=O)cc1 ZINC000012074270 558318869 /nfs/dbraw/zinc/31/88/69/558318869.db2.gz ZMWVFCBIRRLIEP-QGZVFWFLSA-N 1 1 410.449 2.276 50 0 HEAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccc(N2CC(=O)NC2=O)cc1 ZINC000012074270 558318871 /nfs/dbraw/zinc/31/88/71/558318871.db2.gz ZMWVFCBIRRLIEP-QGZVFWFLSA-N 1 1 410.449 2.276 50 0 HEAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000012191814 558347961 /nfs/dbraw/zinc/34/79/61/558347961.db2.gz QRCNKVWFRQJXBZ-QGZVFWFLSA-N 1 1 401.486 2.069 50 0 HEAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000012191814 558347962 /nfs/dbraw/zinc/34/79/62/558347962.db2.gz QRCNKVWFRQJXBZ-QGZVFWFLSA-N 1 1 401.486 2.069 50 0 HEAAMO C[C@H](NS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000020362761 558358233 /nfs/dbraw/zinc/35/82/33/558358233.db2.gz STVFVQKZUZALNN-SFHVURJKSA-N 1 1 415.559 2.433 50 0 HEAAMO O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NCCC[NH+]1CCOCC1 ZINC000020533625 558384940 /nfs/dbraw/zinc/38/49/40/558384940.db2.gz DTLGOPOUTZPAEJ-UHFFFAOYSA-N 1 1 420.893 2.152 50 0 HEAAMO CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCC[NH+]3CCOCC3)ccc12 ZINC000020533636 558385226 /nfs/dbraw/zinc/38/52/26/558385226.db2.gz JXWOBLFVYNHEKA-INIZCTEOSA-N 1 1 402.491 2.270 50 0 HEAAMO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cc(F)cc(F)c1)CC2)c1ccoc1 ZINC000020776216 558412217 /nfs/dbraw/zinc/41/22/17/558412217.db2.gz ILHLATIMLGAOQM-UHFFFAOYSA-N 1 1 401.417 2.180 50 0 HEAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cc(F)cc(F)c1)CC2)c1ccoc1 ZINC000020776216 558412219 /nfs/dbraw/zinc/41/22/19/558412219.db2.gz ILHLATIMLGAOQM-UHFFFAOYSA-N 1 1 401.417 2.180 50 0 HEAAMO COCCn1c(CN(C)C[C@@H]2CCCC[N@@H+]2C)cnc1S(=O)(=O)CCC(C)C ZINC000020906072 558420660 /nfs/dbraw/zinc/42/06/60/558420660.db2.gz KVDSOASFMGZVTH-SFHVURJKSA-N 1 1 414.616 2.265 50 0 HEAAMO COCCn1c(CN(C)C[C@@H]2CCCC[N@H+]2C)cnc1S(=O)(=O)CCC(C)C ZINC000020906072 558420662 /nfs/dbraw/zinc/42/06/62/558420662.db2.gz KVDSOASFMGZVTH-SFHVURJKSA-N 1 1 414.616 2.265 50 0 HEAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)COC)n3CC2)o1 ZINC000020914336 558422382 /nfs/dbraw/zinc/42/23/82/558422382.db2.gz ADPXJWVHERMAOY-GOSISDBHSA-N 1 1 403.527 2.342 50 0 HEAAMO COc1ccc(C[NH2+]CC2CCCCC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020992384 558426259 /nfs/dbraw/zinc/42/62/59/558426259.db2.gz ZJWLLXGXFFFYBL-NRFANRHFSA-N 1 1 405.583 2.352 50 0 HEAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH+]1CCN(C2CCCC2)CC1 ZINC000020993910 558426553 /nfs/dbraw/zinc/42/65/53/558426553.db2.gz UKRNFLWJYRVAIR-JOCHJYFZSA-N 1 1 407.505 2.379 50 0 HEAAMO O=C(c1ccccn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998099 558427319 /nfs/dbraw/zinc/42/73/19/558427319.db2.gz XXQDDBMVRCIZKO-LJQANCHMSA-N 1 1 408.502 2.233 50 0 HEAAMO O=C(c1ccccn1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998101 558427512 /nfs/dbraw/zinc/42/75/12/558427512.db2.gz XXQDDBMVRCIZKO-IBGZPJMESA-N 1 1 408.502 2.233 50 0 HEAAMO COc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1OC ZINC000021793630 558449253 /nfs/dbraw/zinc/44/92/53/558449253.db2.gz ZQFUIWNXEPSQQN-UHFFFAOYSA-N 1 1 411.506 2.365 50 0 HEAAMO CCOC(=O)CNC(=O)N(CCOC)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012758116 558460356 /nfs/dbraw/zinc/46/03/56/558460356.db2.gz RRKPNNWKBVAELC-SFHVURJKSA-N 1 1 417.550 2.087 50 0 HEAAMO CC(=O)NCCNC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000012760210 558460832 /nfs/dbraw/zinc/46/08/32/558460832.db2.gz MAWWZVULOFLWHY-UHFFFAOYSA-N 1 1 414.594 2.048 50 0 HEAAMO CC[NH+]1CCN(C2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2)CC1 ZINC000022852963 558517251 /nfs/dbraw/zinc/51/72/51/558517251.db2.gz HWVKNQSZYYVODE-UHFFFAOYSA-N 1 1 416.957 2.222 50 0 HEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000022927122 558523486 /nfs/dbraw/zinc/52/34/86/558523486.db2.gz PQUFHPYRAMSJJX-UHFFFAOYSA-N 1 1 415.582 2.148 50 0 HEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000022927122 558523490 /nfs/dbraw/zinc/52/34/90/558523490.db2.gz PQUFHPYRAMSJJX-UHFFFAOYSA-N 1 1 415.582 2.148 50 0 HEAAMO O=C(CSc1nnnn1C1CCCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023653021 558565210 /nfs/dbraw/zinc/56/52/10/558565210.db2.gz GVPQXSFPAYJVBW-UHFFFAOYSA-N 1 1 408.572 2.032 50 0 HEAAMO Cc1ccc(CN2C[C@@H](C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2=O)cc1 ZINC000023736099 558572217 /nfs/dbraw/zinc/57/22/17/558572217.db2.gz PMTGMPGOJLHZHH-NRFANRHFSA-N 1 1 413.562 2.495 50 0 HEAAMO O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013690672 558572526 /nfs/dbraw/zinc/57/25/26/558572526.db2.gz SXJBAZMLZUPQGS-UHFFFAOYSA-N 1 1 418.497 2.066 50 0 HEAAMO CCC[N@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000014991478 558694538 /nfs/dbraw/zinc/69/45/38/558694538.db2.gz VMTQEVXGBBHSRF-WMZOPIPTSA-N 1 1 419.913 2.102 50 0 HEAAMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC000030030304 558726332 /nfs/dbraw/zinc/72/63/32/558726332.db2.gz CBCIYWJFWMWXOS-JOCHJYFZSA-N 1 1 418.497 2.451 50 0 HEAAMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC000030030304 558726335 /nfs/dbraw/zinc/72/63/35/558726335.db2.gz CBCIYWJFWMWXOS-JOCHJYFZSA-N 1 1 418.497 2.451 50 0 HEAAMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000015312497 558731661 /nfs/dbraw/zinc/73/16/61/558731661.db2.gz JKKLOCQPUOIZAP-SFHVURJKSA-N 1 1 405.495 2.141 50 0 HEAAMO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000015312497 558731663 /nfs/dbraw/zinc/73/16/63/558731663.db2.gz JKKLOCQPUOIZAP-SFHVURJKSA-N 1 1 405.495 2.141 50 0 HEAAMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000015312495 558731700 /nfs/dbraw/zinc/73/17/00/558731700.db2.gz JKKLOCQPUOIZAP-GOSISDBHSA-N 1 1 405.495 2.141 50 0 HEAAMO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000015312495 558731703 /nfs/dbraw/zinc/73/17/03/558731703.db2.gz JKKLOCQPUOIZAP-GOSISDBHSA-N 1 1 405.495 2.141 50 0 HEAAMO COC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087021 558772635 /nfs/dbraw/zinc/77/26/35/558772635.db2.gz HPQPUHWWPCAXES-MNVSYLFESA-N 1 1 417.506 2.463 50 0 HEAAMO COC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087021 558772639 /nfs/dbraw/zinc/77/26/39/558772639.db2.gz HPQPUHWWPCAXES-MNVSYLFESA-N 1 1 417.506 2.463 50 0 HEAAMO COC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087021 558772640 /nfs/dbraw/zinc/77/26/40/558772640.db2.gz HPQPUHWWPCAXES-MNVSYLFESA-N 1 1 417.506 2.463 50 0 HEAAMO COc1ccc(N2C[C@H](C(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CC2=O)cc1 ZINC000034863372 558785941 /nfs/dbraw/zinc/78/59/41/558785941.db2.gz YDMXUYDTJZQDRY-BRWVUGGUSA-N 1 1 403.523 2.052 50 0 HEAAMO Cc1cc(C)cc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)c1 ZINC000035422005 558791431 /nfs/dbraw/zinc/79/14/31/558791431.db2.gz CCPJLEZHRCMPEG-UHFFFAOYSA-N 1 1 414.594 2.444 50 0 HEAAMO C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000035422039 558791885 /nfs/dbraw/zinc/79/18/85/558791885.db2.gz AOOBMHJPGAYGLX-SFHVURJKSA-N 1 1 420.985 2.479 50 0 HEAAMO C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000035422039 558791889 /nfs/dbraw/zinc/79/18/89/558791889.db2.gz AOOBMHJPGAYGLX-SFHVURJKSA-N 1 1 420.985 2.479 50 0 HEAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1 ZINC000018093467 558831015 /nfs/dbraw/zinc/83/10/15/558831015.db2.gz WWOQJYBDFRQEGK-CYBMUJFWSA-N 1 1 403.788 2.188 50 0 HEAAMO CCCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1Cl ZINC000046140873 558839687 /nfs/dbraw/zinc/83/96/87/558839687.db2.gz LPTNJWWOAIILSZ-UHFFFAOYSA-N 1 1 401.960 2.207 50 0 HEAAMO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)c(F)c2)o1 ZINC000058155679 558902857 /nfs/dbraw/zinc/90/28/57/558902857.db2.gz JMMCXBCIRYEYNE-UHFFFAOYSA-N 1 1 424.498 2.063 50 0 HEAAMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)CC2)CCO1 ZINC000058159830 558904810 /nfs/dbraw/zinc/90/48/10/558904810.db2.gz DYULUAOVUIVYAL-LBPRGKRZSA-N 1 1 408.886 2.388 50 0 HEAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000058168306 558907751 /nfs/dbraw/zinc/90/77/51/558907751.db2.gz BYMNEDRLAOGHJP-OAQYLSRUSA-N 1 1 418.488 2.245 50 0 HEAAMO CCc1ccccc1NC(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)ncn2)CC1 ZINC000072119264 558927913 /nfs/dbraw/zinc/92/79/13/558927913.db2.gz KRZHBQVKTXZPPX-UHFFFAOYSA-N 1 1 409.538 2.145 50 0 HEAAMO O[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000019633922 558947495 /nfs/dbraw/zinc/94/74/95/558947495.db2.gz 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HEAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2C1 ZINC000014960499 558683814 /nfs/dbraw/zinc/68/38/14/558683814.db2.gz FEIQGLJDYPMVNP-UHFFFAOYSA-N 1 1 405.542 2.422 50 0 HEAAMO COC(=O)CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1OC)C2 ZINC000014981006 558691318 /nfs/dbraw/zinc/69/13/18/558691318.db2.gz KYHPELVTPQUKHE-JOCHJYFZSA-N 1 1 404.507 2.472 50 0 HEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000014996964 558696329 /nfs/dbraw/zinc/69/63/29/558696329.db2.gz XQUNBVZTNBWLIH-UHFFFAOYSA-N 1 1 423.492 2.343 50 0 HEAAMO CCOC(=O)CSc1nn2c(nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)s1 ZINC000015414234 558738873 /nfs/dbraw/zinc/73/88/73/558738873.db2.gz CHLGLQBCSUWPSN-UHFFFAOYSA-N 1 1 416.528 2.365 50 0 HEAAMO CCOC(=O)CSc1nn2c(nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)s1 ZINC000015414234 558738876 /nfs/dbraw/zinc/73/88/76/558738876.db2.gz CHLGLQBCSUWPSN-UHFFFAOYSA-N 1 1 416.528 2.365 50 0 HEAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[nH+]1 ZINC000015671268 558748595 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CCNC(=O)N1C[C@@H](C(=O)N2CC[NH+](C)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097954305 558865632 /nfs/dbraw/zinc/86/56/32/558865632.db2.gz CLDBVJKTTFZGSO-IAGOWNOFSA-N 1 1 412.456 2.224 50 0 HEAAMO Cc1nnc(SCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)o1 ZINC000055052515 558870527 /nfs/dbraw/zinc/87/05/27/558870527.db2.gz RLQXVZSDPDFZPN-SFHVURJKSA-N 1 1 401.536 2.283 50 0 HEAAMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000058010587 558895138 /nfs/dbraw/zinc/89/51/38/558895138.db2.gz NKSAZTYMQSHJIV-JOCHJYFZSA-N 1 1 422.508 2.469 50 0 HEAAMO CC(C)CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071405709 558897683 /nfs/dbraw/zinc/89/76/83/558897683.db2.gz YLENJRYMBBYWGA-NRFANRHFSA-N 1 1 402.583 2.235 50 0 HEAAMO Cc1ncnc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c1C ZINC000071774899 558911569 /nfs/dbraw/zinc/91/15/69/558911569.db2.gz WZMHUUQBPJMSRV-FQEVSTJZSA-N 1 1 408.550 2.486 50 0 HEAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(Oc2ncccn2)c1 ZINC000058268956 558915979 /nfs/dbraw/zinc/91/59/79/558915979.db2.gz MUGYXGNEGAYLQW-APWZRJJASA-N 1 1 413.478 2.128 50 0 HEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033254514 558918414 /nfs/dbraw/zinc/91/84/14/558918414.db2.gz GHADYKVDXMDJHJ-SFHVURJKSA-N 1 1 407.580 2.468 50 0 HEAAMO COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000058438119 558927166 /nfs/dbraw/zinc/92/71/66/558927166.db2.gz AHZKKWXSIKTQGU-HMMYKYKNSA-N 1 1 403.548 2.174 50 0 HEAAMO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000058438119 558927169 /nfs/dbraw/zinc/92/71/69/558927169.db2.gz AHZKKWXSIKTQGU-HMMYKYKNSA-N 1 1 403.548 2.174 50 0 HEAAMO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000058438119 558927171 /nfs/dbraw/zinc/92/71/71/558927171.db2.gz AHZKKWXSIKTQGU-HMMYKYKNSA-N 1 1 403.548 2.174 50 0 HEAAMO COc1cccc([C@@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c2nccn2C)c1 ZINC000059291610 558933593 /nfs/dbraw/zinc/93/35/93/558933593.db2.gz 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CC(=O)Nc1cccc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000079483107 569431941 /nfs/dbraw/zinc/43/19/41/569431941.db2.gz PSBLWVSUKQBIDA-UHFFFAOYSA-N 1 1 409.490 2.111 50 0 HEAAMO COC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000079501682 569432906 /nfs/dbraw/zinc/43/29/06/569432906.db2.gz RWGLZHALIFHASH-KRWDZBQOSA-N 1 1 424.501 2.328 50 0 HEAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)[nH]c(=O)c2C1 ZINC000067291846 571068039 /nfs/dbraw/zinc/06/80/39/571068039.db2.gz JYITWYJRZYABGH-UHFFFAOYSA-N 1 1 416.503 2.468 50 0 HEAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)[nH]c(=O)c2C1 ZINC000067291846 571068040 /nfs/dbraw/zinc/06/80/40/571068040.db2.gz JYITWYJRZYABGH-UHFFFAOYSA-N 1 1 416.503 2.468 50 0 HEAAMO CCC[N@@H+]1CCc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)[nH]c(=O)c2C1 ZINC000067291855 571068385 /nfs/dbraw/zinc/06/83/85/571068385.db2.gz FJEQLCBBAATUDU-UHFFFAOYSA-N 1 1 416.503 2.088 50 0 HEAAMO CCC[N@H+]1CCc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)[nH]c(=O)c2C1 ZINC000067291855 571068388 /nfs/dbraw/zinc/06/83/88/571068388.db2.gz FJEQLCBBAATUDU-UHFFFAOYSA-N 1 1 416.503 2.088 50 0 HEAAMO COc1cc(OC)c(C2=CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)CC2)c(OC)c1 ZINC000040071621 571152295 /nfs/dbraw/zinc/15/22/95/571152295.db2.gz VYHFRQGVWCSEHC-UHFFFAOYSA-N 1 1 403.479 2.132 50 0 HEAAMO COc1cc(OC)c(C2=CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)CC2)c(OC)c1 ZINC000040071621 571152296 /nfs/dbraw/zinc/15/22/96/571152296.db2.gz VYHFRQGVWCSEHC-UHFFFAOYSA-N 1 1 403.479 2.132 50 0 HEAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc(-n4cncn4)nc3)cc2)C[C@H](C)O1 ZINC000040107051 571167385 /nfs/dbraw/zinc/16/73/85/571167385.db2.gz WAHCPMPVTFIRTO-IRXDYDNUSA-N 1 1 406.490 2.202 50 0 HEAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cccnc3-n3cncn3)cc2)C[C@H](C)O1 ZINC000040108954 571168390 /nfs/dbraw/zinc/16/83/90/571168390.db2.gz ZHWXJRBQHFVAKG-IRXDYDNUSA-N 1 1 406.490 2.202 50 0 HEAAMO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000009528447 571266286 /nfs/dbraw/zinc/26/62/86/571266286.db2.gz 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50 0 HEAAMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000032764784 526023052 /nfs/dbraw/zinc/02/30/52/526023052.db2.gz CZDVOOWAQDKHQH-OQOKOFKUSA-N 1 1 418.626 2.382 50 0 HEAAMO O=C(CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)Nc1nc2c(s1)CCCC2 ZINC000044890102 526836772 /nfs/dbraw/zinc/83/67/72/526836772.db2.gz UKJWSGXYSCZQAJ-UHFFFAOYSA-N 1 1 413.547 2.488 50 0 HEAAMO O=C1NCCN1c1ccc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000020600237 527070708 /nfs/dbraw/zinc/07/07/08/527070708.db2.gz WFDYFDGJLRVHJX-LJQANCHMSA-N 1 1 400.548 2.347 50 0 HEAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)N4CCCCC4)CC3)C2=O)cc1 ZINC000004698502 557582854 /nfs/dbraw/zinc/58/28/54/557582854.db2.gz IVFKVUYLWIZTTG-HXUWFJFHSA-N 1 1 413.518 2.442 50 0 HEAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2)[C@H]1CCOC1 ZINC000019740422 558261327 /nfs/dbraw/zinc/26/13/27/558261327.db2.gz DSDKNJQIJRGLTF-HNNXBMFYSA-N 1 1 423.439 2.008 50 0 HEAAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](C3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000019743545 558264206 /nfs/dbraw/zinc/26/42/06/558264206.db2.gz QDLXDDUZBVDRMU-FQEVSTJZSA-N 1 1 404.555 2.483 50 0 HEAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCN(Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000011668132 558269776 /nfs/dbraw/zinc/26/97/76/558269776.db2.gz YWWSSKRPPIHWBU-DNQXCXABSA-N 1 1 405.546 2.436 50 0 HEAAMO CN(CCc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000011668132 558269779 /nfs/dbraw/zinc/26/97/79/558269779.db2.gz YWWSSKRPPIHWBU-DNQXCXABSA-N 1 1 405.546 2.436 50 0 HEAAMO CN(CCc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000011668132 558269782 /nfs/dbraw/zinc/26/97/82/558269782.db2.gz YWWSSKRPPIHWBU-DNQXCXABSA-N 1 1 405.546 2.436 50 0 HEAAMO CCCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2CCCc2ccccc2)[nH]n1 ZINC000011819865 558283000 /nfs/dbraw/zinc/28/30/00/558283000.db2.gz NZUIQMZZPMQVRN-NRFANRHFSA-N 1 1 411.550 2.144 50 0 HEAAMO CCCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2CCCc2ccccc2)[nH]n1 ZINC000011819865 558283003 /nfs/dbraw/zinc/28/30/03/558283003.db2.gz NZUIQMZZPMQVRN-NRFANRHFSA-N 1 1 411.550 2.144 50 0 HEAAMO COc1ccc(-c2noc(C[N@H+](C[C@@H]3CCC(=O)N3)C(C)C)n2)c(OC)c1OC ZINC000011878232 558292450 /nfs/dbraw/zinc/29/24/50/558292450.db2.gz VBFPMQIONRHHBJ-ZDUSSCGKSA-N 1 1 404.467 2.251 50 0 HEAAMO COc1ccc(-c2noc(C[N@@H+](C[C@@H]3CCC(=O)N3)C(C)C)n2)c(OC)c1OC ZINC000011878232 558292452 /nfs/dbraw/zinc/29/24/52/558292452.db2.gz VBFPMQIONRHHBJ-ZDUSSCGKSA-N 1 1 404.467 2.251 50 0 HEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1OC ZINC000019836352 558292820 /nfs/dbraw/zinc/29/28/20/558292820.db2.gz AHYMNNBITOKUCQ-UHFFFAOYSA-N 1 1 421.501 2.284 50 0 HEAAMO CCc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000019897191 558303715 /nfs/dbraw/zinc/30/37/15/558303715.db2.gz ZPJAWTCZTBIOLX-UHFFFAOYSA-N 1 1 401.532 2.218 50 0 HEAAMO CSc1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012031340 558311402 /nfs/dbraw/zinc/31/14/02/558311402.db2.gz PZESXPQZCLTDAH-GOSISDBHSA-N 1 1 423.608 2.305 50 0 HEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2cccs2)CC3)cc1 ZINC000012037836 558312103 /nfs/dbraw/zinc/31/21/03/558312103.db2.gz NLSWZLKHKBSDEK-UHFFFAOYSA-N 1 1 411.531 2.379 50 0 HEAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCCCCC3)[N@H+](Cc3cccs3)C2)nn1 ZINC000012041141 558312822 /nfs/dbraw/zinc/31/28/22/558312822.db2.gz BQWLISYSJHNCAD-QAPCUYQASA-N 1 1 417.535 2.344 50 0 HEAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCCCCC3)[N@@H+](Cc3cccs3)C2)nn1 ZINC000012041141 558312824 /nfs/dbraw/zinc/31/28/24/558312824.db2.gz BQWLISYSJHNCAD-QAPCUYQASA-N 1 1 417.535 2.344 50 0 HEAAMO COc1cc(OC)cc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000019972537 558316300 /nfs/dbraw/zinc/31/63/00/558316300.db2.gz ZQHJSUYMPGIMDS-OAQYLSRUSA-N 1 1 409.486 2.154 50 0 HEAAMO Cc1ccc(OCc2cc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)no2)cn1 ZINC000020211374 558347503 /nfs/dbraw/zinc/34/75/03/558347503.db2.gz GCFYEWYUHUKQMD-QGZVFWFLSA-N 1 1 400.479 2.141 50 0 HEAAMO C[C@H](C[N@@H+]1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccccc1 ZINC000012281165 558365213 /nfs/dbraw/zinc/36/52/13/558365213.db2.gz VCYQNJBIOIHSAV-GOSISDBHSA-N 1 1 404.518 2.307 50 0 HEAAMO O=C(c1ccncc1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020910227 558421936 /nfs/dbraw/zinc/42/19/36/558421936.db2.gz ILLLUMFITYKUJW-FQEVSTJZSA-N 1 1 408.502 2.233 50 0 HEAAMO CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[N@H+](CCCc1ccccc1)CC2 ZINC000012572821 558429719 /nfs/dbraw/zinc/42/97/19/558429719.db2.gz HCXRZJBFFWPHPL-IBGZPJMESA-N 1 1 405.568 2.015 50 0 HEAAMO COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)c1 ZINC000021795037 558449421 /nfs/dbraw/zinc/44/94/21/558449421.db2.gz ICQCNIQQBNLNDZ-UHFFFAOYSA-N 1 1 400.483 2.222 50 0 HEAAMO Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021795241 558449606 /nfs/dbraw/zinc/44/96/06/558449606.db2.gz VFUOZZMLXIFZHK-UHFFFAOYSA-N 1 1 400.458 2.115 50 0 HEAAMO C[C@H]1C[C@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)C1 ZINC000004385500 558482735 /nfs/dbraw/zinc/48/27/35/558482735.db2.gz SEVUNENTHZQWCK-GJZGRUSLSA-N 1 1 413.497 2.099 50 0 HEAAMO Cc1ccc(CN2C[C@H](C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2=O)cc1 ZINC000023736102 558572117 /nfs/dbraw/zinc/57/21/17/558572117.db2.gz PMTGMPGOJLHZHH-OAQYLSRUSA-N 1 1 413.562 2.495 50 0 HEAAMO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1c(F)cccc1F ZINC000024983281 558624615 /nfs/dbraw/zinc/62/46/15/558624615.db2.gz PXYLHOXDBJEFNK-UHFFFAOYSA-N 1 1 404.417 2.353 50 0 HEAAMO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1c(F)cccc1F ZINC000024983281 558624618 /nfs/dbraw/zinc/62/46/18/558624618.db2.gz PXYLHOXDBJEFNK-UHFFFAOYSA-N 1 1 404.417 2.353 50 0 HEAAMO COc1ccc(OCC[N@@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000025053778 558628998 /nfs/dbraw/zinc/62/89/98/558628998.db2.gz XWXDDKBFDZFTMC-UHFFFAOYSA-N 1 1 408.520 2.335 50 0 HEAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000014247137 558648258 /nfs/dbraw/zinc/64/82/58/558648258.db2.gz ALJDHLRVKXQNKJ-HOTGVXAUSA-N 1 1 401.507 2.067 50 0 HEAAMO CCOc1ccccc1N1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000026302202 558658587 /nfs/dbraw/zinc/65/85/87/558658587.db2.gz WYQSBJNWAZMNPZ-FQEVSTJZSA-N 1 1 404.555 2.274 50 0 HEAAMO CC(=O)c1ccc(N2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)CC2)cc1 ZINC000026302108 558658613 /nfs/dbraw/zinc/65/86/13/558658613.db2.gz PIFPKYHTSLQZPI-OAQYLSRUSA-N 1 1 402.539 2.078 50 0 HEAAMO COC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000026455898 558661270 /nfs/dbraw/zinc/66/12/70/558661270.db2.gz BVDXLXKEEVSGNH-IBGZPJMESA-N 1 1 403.479 2.361 50 0 HEAAMO CC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000026833037 558665680 /nfs/dbraw/zinc/66/56/80/558665680.db2.gz ZDWDJLOOHXLTTH-UHFFFAOYSA-N 1 1 413.543 2.322 50 0 HEAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CC[N@@H+](C2CCC2)C3)c1 ZINC000014745248 558668817 /nfs/dbraw/zinc/66/88/17/558668817.db2.gz YEJPQZNSLIJPNZ-LJQANCHMSA-N 1 1 424.545 2.448 50 0 HEAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CC[N@H+](C2CCC2)C3)c1 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Cc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)c1 ZINC000035422033 558791784 /nfs/dbraw/zinc/79/17/84/558791784.db2.gz IWBLPBOGBOWJBF-OAQYLSRUSA-N 1 1 414.594 2.442 50 0 HEAAMO Cc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)c1 ZINC000035422027 558791792 /nfs/dbraw/zinc/79/17/92/558791792.db2.gz WTYUNURDYCSXOJ-HXUWFJFHSA-N 1 1 400.567 2.134 50 0 HEAAMO Cc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)c1 ZINC000035422027 558791794 /nfs/dbraw/zinc/79/17/94/558791794.db2.gz WTYUNURDYCSXOJ-HXUWFJFHSA-N 1 1 400.567 2.134 50 0 HEAAMO C[C@H](CO)[N@H+]1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000039344819 558820231 /nfs/dbraw/zinc/82/02/31/558820231.db2.gz VLPNPWFBOWAZII-XMSQKQJNSA-N 1 1 400.494 2.479 50 0 HEAAMO C[C@H](CO)[N@@H+]1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000039344819 558820233 /nfs/dbraw/zinc/82/02/33/558820233.db2.gz VLPNPWFBOWAZII-XMSQKQJNSA-N 1 1 400.494 2.479 50 0 HEAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1cc(=O)[nH]c(N2c3ccccc3C[C@@H]2C)n1 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402.564 2.049 50 0 HEAAMO COCC[N@H+]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000328593835 559166965 /nfs/dbraw/zinc/16/69/65/559166965.db2.gz PUHMBCGOCOHGOX-UHFFFAOYSA-N 1 1 408.296 2.497 50 0 HEAAMO COc1ccc(-c2cnc3ncnn3c2N2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000023331646 559170456 /nfs/dbraw/zinc/17/04/56/559170456.db2.gz CQYYLXWVTSGERP-GOSISDBHSA-N 1 1 421.549 2.264 50 0 HEAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000004930031 559209077 /nfs/dbraw/zinc/20/90/77/559209077.db2.gz XRXFXEZFHQBEQR-QGZVFWFLSA-N 1 1 413.497 2.386 50 0 HEAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000004930031 559209078 /nfs/dbraw/zinc/20/90/78/559209078.db2.gz XRXFXEZFHQBEQR-QGZVFWFLSA-N 1 1 413.497 2.386 50 0 HEAAMO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000005118867 559247414 /nfs/dbraw/zinc/24/74/14/559247414.db2.gz FWHDRWBJYMHNFX-PZJWPPBQSA-N 1 1 409.530 2.491 50 0 HEAAMO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000005118867 559247416 /nfs/dbraw/zinc/24/74/16/559247416.db2.gz FWHDRWBJYMHNFX-PZJWPPBQSA-N 1 1 409.530 2.491 50 0 HEAAMO C[NH+](C)[C@H](CNc1c(=O)c(=O)c1N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000101699597 560798382 /nfs/dbraw/zinc/79/83/82/560798382.db2.gz VPJLMECDYGWJCZ-OAQYLSRUSA-N 1 1 418.541 2.320 50 0 HEAAMO C[NH+](C)[C@H](CNc1c(=O)c(=O)c1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000101697240 560798420 /nfs/dbraw/zinc/79/84/20/560798420.db2.gz WSXIOVPBQBNBSZ-HXUWFJFHSA-N 1 1 422.504 2.463 50 0 HEAAMO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3nc(-c4ccncn4)no3)[C@H](C)C2)c1 ZINC000064459824 560810855 /nfs/dbraw/zinc/81/08/55/560810855.db2.gz ISCVRDHTWLPHEP-QGZVFWFLSA-N 1 1 421.505 2.166 50 0 HEAAMO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)[NH+](C)C)cc1 ZINC000051134417 560811561 /nfs/dbraw/zinc/81/15/61/560811561.db2.gz DEEPIXPQZMYJBD-HXUWFJFHSA-N 1 1 416.547 2.021 50 0 HEAAMO CC[C@@](C)(CNC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000046940916 560879612 /nfs/dbraw/zinc/87/96/12/560879612.db2.gz KKSNUJYMWCFCQF-UGKGYDQZSA-N 1 1 418.538 2.309 50 0 HEAAMO CC[C@](C)(CNC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000046940917 560879615 /nfs/dbraw/zinc/87/96/15/560879615.db2.gz KKSNUJYMWCFCQF-SIKLNZKXSA-N 1 1 418.538 2.309 50 0 HEAAMO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000106166919 560884986 /nfs/dbraw/zinc/88/49/86/560884986.db2.gz DIMZZKBXXKBDTL-ROUUACIJSA-N 1 1 407.518 2.411 50 0 HEAAMO CNC(=O)C[NH+]1CCC(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)CC1 ZINC000047450293 560887786 /nfs/dbraw/zinc/88/77/86/560887786.db2.gz HDJFLGPUKUZQCM-UHFFFAOYSA-N 1 1 419.529 2.285 50 0 HEAAMO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)nn1 ZINC000108394834 568418821 /nfs/dbraw/zinc/41/88/21/568418821.db2.gz RKGLUBDCVBXRRJ-DNVCBOLYSA-N 1 1 411.506 2.068 50 0 HEAAMO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)nn1 ZINC000108394834 568418822 /nfs/dbraw/zinc/41/88/22/568418822.db2.gz RKGLUBDCVBXRRJ-DNVCBOLYSA-N 1 1 411.506 2.068 50 0 HEAAMO Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000046140781 568430124 /nfs/dbraw/zinc/43/01/24/568430124.db2.gz XXCVKWDFMAJAON-UHFFFAOYSA-N 1 1 407.580 2.395 50 0 HEAAMO CCOC(=O)C1C(CN2CC[NH+]([C@@H](C)CC)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214260 568594729 /nfs/dbraw/zinc/59/47/29/568594729.db2.gz KNRVBYUXFRNVLV-MGPUTAFESA-N 1 1 418.513 2.413 50 0 HEAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)CC1 ZINC000095432323 568609327 /nfs/dbraw/zinc/60/93/27/568609327.db2.gz WAXKNGLMEBKUAP-UZLBHIALSA-N 1 1 414.550 2.342 50 0 HEAAMO CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCN(C)CC2)c1 ZINC000095457793 568618762 /nfs/dbraw/zinc/61/87/62/568618762.db2.gz CKCOELGJKFFRSR-NRFANRHFSA-N 1 1 400.567 2.452 50 0 HEAAMO Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000225399907 568634126 /nfs/dbraw/zinc/63/41/26/568634126.db2.gz USVBFICXTJEXKS-SFHVURJKSA-N 1 1 416.547 2.456 50 0 HEAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(C)oc4ncn(C)c(=O)c43)cc2)CC1 ZINC000020942116 568652959 /nfs/dbraw/zinc/65/29/59/568652959.db2.gz XAHQRLKEEFCXIG-UHFFFAOYSA-N 1 1 409.490 2.225 50 0 HEAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026853 568658897 /nfs/dbraw/zinc/65/88/97/568658897.db2.gz KTMYZCOXGYMRRX-INIZCTEOSA-N 1 1 422.599 2.120 50 0 HEAAMO C[NH+]1CCN(C(=O)[C@@H]2CN(C(=O)C3CC3)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000096211305 568704742 /nfs/dbraw/zinc/70/47/42/568704742.db2.gz XBIYZRIBKXRZOG-QZTJIDSGSA-N 1 1 409.452 2.431 50 0 HEAAMO CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CC[NH+](C3CCCCC3)CC2)c1=O ZINC000096396722 568745255 /nfs/dbraw/zinc/74/52/55/568745255.db2.gz GOCQDAKJSHCQRE-UHFFFAOYSA-N 1 1 419.551 2.449 50 0 HEAAMO Cc1cc(C)cc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000015103214 568755982 /nfs/dbraw/zinc/75/59/82/568755982.db2.gz UPWPVROQQKWOOX-INIZCTEOSA-N 1 1 405.520 2.289 50 0 HEAAMO Cc1cc(C)cc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000015103214 568755984 /nfs/dbraw/zinc/75/59/84/568755984.db2.gz UPWPVROQQKWOOX-INIZCTEOSA-N 1 1 405.520 2.289 50 0 HEAAMO CCN(CC)C(=O)COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000022577660 568770239 /nfs/dbraw/zinc/77/02/39/568770239.db2.gz WFNSULWWJZOQHJ-UHFFFAOYSA-N 1 1 413.518 2.205 50 0 HEAAMO Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)n21 ZINC000002947703 568820098 /nfs/dbraw/zinc/82/00/98/568820098.db2.gz YUBAXNQIVJGVPR-CALCHBBNSA-N 1 1 409.534 2.442 50 0 HEAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)COc4ncccn4)CC3)n2)cc1 ZINC000056907007 568821099 /nfs/dbraw/zinc/82/10/99/568821099.db2.gz SLDIWZKOUUNHOO-UHFFFAOYSA-N 1 1 419.489 2.355 50 0 HEAAMO CCn1cncc1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299763624 568873596 /nfs/dbraw/zinc/87/35/96/568873596.db2.gz PMSQBBFXTLFZKJ-NRFANRHFSA-N 1 1 416.497 2.313 50 0 HEAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cnc2c(c1)CCCC2 ZINC000670438655 568884610 /nfs/dbraw/zinc/88/46/10/568884610.db2.gz AEBWUHZYPMEVHT-JKJRPBHFSA-N 1 1 402.542 2.258 50 0 HEAAMO O=C(CNC(=O)c1ccccc1Br)NCC[N@H+]1CCc2ccccc2C1 ZINC000031338761 568924417 /nfs/dbraw/zinc/92/44/17/568924417.db2.gz FXNQXIQBMSLCAO-UHFFFAOYSA-N 1 1 416.319 2.353 50 0 HEAAMO C[NH+](C)CCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc21 ZINC000053230687 569001066 /nfs/dbraw/zinc/00/10/66/569001066.db2.gz YFLNYHYWMDWDOW-UHFFFAOYSA-N 1 1 402.505 2.145 50 0 HEAAMO Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(OC(F)F)cc1 ZINC000223416786 569003295 /nfs/dbraw/zinc/00/32/95/569003295.db2.gz UOBZLBFVRIVMQM-KRWDZBQOSA-N 1 1 406.433 2.490 50 0 HEAAMO COc1cc(CN2CC[N@H+](Cc3ccc4nonc4c3)C[C@H]2CCO)cc(OC)c1 ZINC000104418235 569008677 /nfs/dbraw/zinc/00/86/77/569008677.db2.gz STHLVWBOATWUEO-GOSISDBHSA-N 1 1 412.490 2.309 50 0 HEAAMO COc1cc(CN2CC[N@@H+](Cc3ccc4nonc4c3)C[C@H]2CCO)cc(OC)c1 ZINC000104418235 569008678 /nfs/dbraw/zinc/00/86/78/569008678.db2.gz STHLVWBOATWUEO-GOSISDBHSA-N 1 1 412.490 2.309 50 0 HEAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 ZINC000012939895 569028223 /nfs/dbraw/zinc/02/82/23/569028223.db2.gz YBAWIYWNNRJJJU-IBGZPJMESA-N 1 1 423.469 2.383 50 0 HEAAMO Cc1cccc(Cn2c(C[NH+]3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006199738 569031557 /nfs/dbraw/zinc/03/15/57/569031557.db2.gz ZQPBBOXNOSKIPT-IAGOWNOFSA-N 1 1 409.534 2.268 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)CC1 ZINC000035448752 569037450 /nfs/dbraw/zinc/03/74/50/569037450.db2.gz GTEXCVAGVCFDTP-UHFFFAOYSA-N 1 1 421.545 2.414 50 0 HEAAMO CCCc1nc2c(c(=O)n1CC(=O)NC[C@@H]1CCCO1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457183 569037778 /nfs/dbraw/zinc/03/77/78/569037778.db2.gz RDUGQYJGUWXUAT-IBGZPJMESA-N 1 1 424.545 2.049 50 0 HEAAMO CCCc1nc2c(c(=O)n1CC(=O)NC[C@@H]1CCCO1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457183 569037779 /nfs/dbraw/zinc/03/77/79/569037779.db2.gz RDUGQYJGUWXUAT-IBGZPJMESA-N 1 1 424.545 2.049 50 0 HEAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000245242281 569055385 /nfs/dbraw/zinc/05/53/85/569055385.db2.gz UQCYHMBLCNISLO-SMOZNVCYSA-N 1 1 417.465 2.435 50 0 HEAAMO CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CC[N@@H+](CC)C[C@@H]32)C1=O ZINC000245327363 569056025 /nfs/dbraw/zinc/05/60/25/569056025.db2.gz ORULVQPKGJSAEF-QGZVFWFLSA-N 1 1 418.925 2.224 50 0 HEAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000089512559 569062138 /nfs/dbraw/zinc/06/21/38/569062138.db2.gz SHMHSAIGIFTFGN-WOJBJXKFSA-N 1 1 404.580 2.122 50 0 HEAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006580026 569066870 /nfs/dbraw/zinc/06/68/70/569066870.db2.gz YENCCWUXGFEIHT-RTBURBONSA-N 1 1 405.564 2.032 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCNC(=O)c2csc(Nc3cccc(OC)c3)n2)CC1 ZINC000036009740 569075681 /nfs/dbraw/zinc/07/56/81/569075681.db2.gz ZAFJPMGYCBXDHN-UHFFFAOYSA-N 1 1 417.535 2.179 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)n1C ZINC000064865854 569110750 /nfs/dbraw/zinc/11/07/50/569110750.db2.gz PSVVZNALDOLHHW-SFHVURJKSA-N 1 1 424.611 2.277 50 0 HEAAMO C[NH+]1CCN(C(=O)CCc2nnc3c4cc(-c5ccc(Cl)cc5)nn4ccn23)CC1 ZINC000064947045 569129157 /nfs/dbraw/zinc/12/91/57/569129157.db2.gz HPLXQWDAQHUJCP-UHFFFAOYSA-N 1 1 423.908 2.404 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000036390292 569165483 /nfs/dbraw/zinc/16/54/83/569165483.db2.gz QHLWJFWZGGGMRU-VQTJNVASSA-N 1 1 405.564 2.139 50 0 HEAAMO CCn1c(C[N@H+]2CCCC[C@@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908098 569178695 /nfs/dbraw/zinc/17/86/95/569178695.db2.gz VZPYKDJDRPSVBJ-INIZCTEOSA-N 1 1 406.552 2.452 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2csc(N3CCN(c4cccc(OC)c4)CC3)n2)CC1 ZINC000065211573 569196898 /nfs/dbraw/zinc/19/68/98/569196898.db2.gz MCRISAWHXABBFN-UHFFFAOYSA-N 1 1 415.563 2.256 50 0 HEAAMO CN(Cc1ccccc1)c1ccc(-c2noc(C[NH+]3CCC(C(N)=O)CC3)n2)cn1 ZINC000065216379 569197624 /nfs/dbraw/zinc/19/76/24/569197624.db2.gz FPHXNXGDQXHJBF-UHFFFAOYSA-N 1 1 406.490 2.465 50 0 HEAAMO C[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2cccc(F)c2)c(=O)c2ccnn23)CC1 ZINC000065270890 569213494 /nfs/dbraw/zinc/21/34/94/569213494.db2.gz TUCMPOCTBPLXHJ-UHFFFAOYSA-N 1 1 419.460 2.224 50 0 HEAAMO CC[C@]1([NH+]2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)CCN(C(=O)NC)C1 ZINC000065292055 569217722 /nfs/dbraw/zinc/21/77/22/569217722.db2.gz NACOPAARVWHLIL-FQEVSTJZSA-N 1 1 408.930 2.300 50 0 HEAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000007525142 569245799 /nfs/dbraw/zinc/24/57/99/569245799.db2.gz TUAXLNXIWYVBQZ-CQSZACIVSA-N 1 1 417.934 2.186 50 0 HEAAMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089775048 569263405 /nfs/dbraw/zinc/26/34/05/569263405.db2.gz OBEAFSWUUZUGKS-NHCUHLMSSA-N 1 1 417.525 2.073 50 0 HEAAMO O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CCC[N@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089813219 569266409 /nfs/dbraw/zinc/26/64/09/569266409.db2.gz KHDCPGCENDOWTC-ZWKOTPCHSA-N 1 1 417.447 2.466 50 0 HEAAMO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000252467432 569287093 /nfs/dbraw/zinc/28/70/93/569287093.db2.gz KNNBOSIAGUCNBE-LSDHHAIUSA-N 1 1 406.324 2.499 50 0 HEAAMO COc1ccc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1OC ZINC000253403083 569365741 /nfs/dbraw/zinc/36/57/41/569365741.db2.gz GXIRMOJFHRUDBH-INIZCTEOSA-N 1 1 416.474 2.356 50 0 biogenic HEAAMO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000002447126 569401374 /nfs/dbraw/zinc/40/13/74/569401374.db2.gz INBRBEANUXDLIM-UHFFFAOYSA-N 1 1 407.854 2.385 50 0 HEAAMO COc1ccc(OC)c(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000079483924 569431997 /nfs/dbraw/zinc/43/19/97/569431997.db2.gz CGROMJVNRHRAKP-UHFFFAOYSA-N 1 1 412.490 2.170 50 0 HEAAMO CCN1[NH+]=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccc(Cl)cc1)c3=O ZINC000008706140 571103613 /nfs/dbraw/zinc/10/36/13/571103613.db2.gz FDOJPNJUMIQYEA-LBPRGKRZSA-N 1 1 400.870 2.375 50 0 HEAAMO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F)c1ccco1 ZINC000040092202 571161487 /nfs/dbraw/zinc/16/14/87/571161487.db2.gz BRMDJIYNFBYXAL-LLVKDONJSA-N 1 1 410.356 2.012 50 0 HEAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2coc3ccccc3c2=O)N1)OCCCO4 ZINC000009318772 571247784 /nfs/dbraw/zinc/24/77/84/571247784.db2.gz BUPUHCIDMDTPHH-LJQANCHMSA-N 1 1 403.398 2.400 50 0 HEAAMO CCn1nccc1C(=O)N1CCC([N@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802111 1078771494 /nfs/dbraw/zinc/77/14/94/1078771494.db2.gz FCGLEUSICDGYTH-HXUWFJFHSA-N 1 1 402.539 2.168 50 0 HEAAMO Cc1ccc(NC(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)[N@@H+](C)C3)CC2)cc1C ZINC000581802808 1078772351 /nfs/dbraw/zinc/77/23/51/1078772351.db2.gz PEEDLCZWWPGYFK-HXUWFJFHSA-N 1 1 414.550 2.480 50 0 HEAAMO CN1CC[NH+](CCCNC(=O)CC2=C3CCCC[C@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581793361 1078775502 /nfs/dbraw/zinc/77/55/02/1078775502.db2.gz XAUIMIOWWGOFLB-HSZRJFAPSA-N 1 1 424.589 2.412 50 0 HEAAMO O=C(CC1=C2CCCC[C@@H]2N(Cc2ccccc2)C1=O)NCCC[NH+]1CCOCC1 ZINC000581793380 1078776077 /nfs/dbraw/zinc/77/60/77/1078776077.db2.gz XTBGQFDABMXWOR-QFIPXVFZSA-N 1 1 411.546 2.497 50 0 HEAAMO COc1cccc(C[NH+]2CC(c3nc(CCN(C)C(=O)C4CC4)no3)C2)c1OC ZINC000581809411 1078784633 /nfs/dbraw/zinc/78/46/33/1078784633.db2.gz LMBUGLRUDVJXQN-UHFFFAOYSA-N 1 1 400.479 2.097 50 0 HEAAMO COCCCn1c(C)c[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000581816194 1078786488 /nfs/dbraw/zinc/78/64/88/1078786488.db2.gz NJKNMVAEHYVRIU-CQSZACIVSA-N 1 1 421.548 2.411 50 0 HEAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(c3ccccc3O)CC2)CC1 ZINC000007349243 132323909 /nfs/dbraw/zinc/32/39/09/132323909.db2.gz UIDCMQDULHCGJM-FQEVSTJZSA-N 1 1 408.546 2.420 50 0 HEAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008159853 132328120 /nfs/dbraw/zinc/32/81/20/132328120.db2.gz LKGDHHXTSLSYGI-OAHLLOKOSA-N 1 1 409.490 2.152 50 0 HEAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008159853 132328121 /nfs/dbraw/zinc/32/81/21/132328121.db2.gz LKGDHHXTSLSYGI-OAHLLOKOSA-N 1 1 409.490 2.152 50 0 HEAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@H]2c1cccnc1 ZINC000009264576 132337950 /nfs/dbraw/zinc/33/79/50/132337950.db2.gz FQARVFYAARCMTQ-HXUWFJFHSA-N 1 1 401.474 2.097 50 0 HEAAMO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2cnn(-c3ccccc3F)c2)CC1 ZINC000012588748 132364684 /nfs/dbraw/zinc/36/46/84/132364684.db2.gz VYISIKFLXDVPGA-UHFFFAOYSA-N 1 1 408.481 2.365 50 0 HEAAMO CC[NH+]1CCN(C2(C(=O)N(C)CCc3c(C)n[nH]c3C)Cc3ccccc3C2)CC1 ZINC000020537523 521671862 /nfs/dbraw/zinc/67/18/62/521671862.db2.gz CXSSHDPELZTJMF-UHFFFAOYSA-N 1 1 409.578 2.203 50 0 HEAAMO CC[NH+]1CCN(CN2c3ccccc3[C@](O)(CC(=O)c3ccc(C)cc3)C2=O)CC1 ZINC000020546572 521685314 /nfs/dbraw/zinc/68/53/14/521685314.db2.gz GVNSTRXOIHTTJR-XMMPIXPASA-N 1 1 407.514 2.397 50 0 HEAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000040355740 523821942 /nfs/dbraw/zinc/82/19/42/523821942.db2.gz YJMCDUQLMSLONJ-CYBMUJFWSA-N 1 1 402.476 2.338 50 0 HEAAMO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)N2CCN(c3ccccn3)CC2)c1C ZINC000032776726 524588652 /nfs/dbraw/zinc/58/86/52/524588652.db2.gz XIUFCIPVKNOTKE-UHFFFAOYSA-N 1 1 409.534 2.308 50 0 HEAAMO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)N2CCN(c3ccccn3)CC2)c1C ZINC000032776726 524588662 /nfs/dbraw/zinc/58/86/62/524588662.db2.gz XIUFCIPVKNOTKE-UHFFFAOYSA-N 1 1 409.534 2.308 50 0 HEAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)[NH+](C)C ZINC000032695529 524792975 /nfs/dbraw/zinc/79/29/75/524792975.db2.gz LKHBXBGZRNBUBD-SFHVURJKSA-N 1 1 405.520 2.408 50 0 HEAAMO C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023958732 525124981 /nfs/dbraw/zinc/12/49/81/525124981.db2.gz GDICWJUWBQPANL-SFHVURJKSA-N 1 1 411.502 2.450 50 0 HEAAMO C[NH+](C)CCn1c2cc(F)ccc2cc(CN2CCN(c3ccccn3)CC2)c1=O ZINC000012278955 535932683 /nfs/dbraw/zinc/93/26/83/535932683.db2.gz BJAJLPFZTINPHB-UHFFFAOYSA-N 1 1 409.509 2.419 50 0 HEAAMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000012522576 536795894 /nfs/dbraw/zinc/79/58/94/536795894.db2.gz HFLUIEQYHWPRHR-IBGZPJMESA-N 1 1 400.475 2.044 50 0 HEAAMO COCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccccn2)C3)c1C ZINC000071890461 557315716 /nfs/dbraw/zinc/31/57/16/557315716.db2.gz GLLCEKWISSSWHV-UHFFFAOYSA-N 1 1 420.517 2.295 50 0 HEAAMO COCCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccccn2)C3)c1C ZINC000071890461 557315718 /nfs/dbraw/zinc/31/57/18/557315718.db2.gz GLLCEKWISSSWHV-UHFFFAOYSA-N 1 1 420.517 2.295 50 0 HEAAMO CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(C)c3)co2)CC1 ZINC000034677308 557364660 /nfs/dbraw/zinc/36/46/60/557364660.db2.gz PSNWMHYCIJYHKZ-LJQANCHMSA-N 1 1 416.522 2.059 50 0 HEAAMO Cc1cc(C)cc(C(=O)N2CCc3[nH]nc(C(=O)N4CC[NH+](C(C)C)CC4)c3C2)c1 ZINC000034797371 557472353 /nfs/dbraw/zinc/47/23/53/557472353.db2.gz VVGWYFIKITVKDM-UHFFFAOYSA-N 1 1 409.534 2.391 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@H]2COC3(CCCCC3)N2C(=O)c2cccc(F)c2)CC1 ZINC000034920808 557483498 /nfs/dbraw/zinc/48/34/98/557483498.db2.gz BLFMWJNIXBBLDZ-LJQANCHMSA-N 1 1 403.498 2.491 50 0 HEAAMO CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1=O ZINC000010462184 558258048 /nfs/dbraw/zinc/25/80/48/558258048.db2.gz GHBWITPLVHCTIR-SFHVURJKSA-N 1 1 400.523 2.051 50 0 HEAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1OC ZINC000011762933 558273644 /nfs/dbraw/zinc/27/36/44/558273644.db2.gz QBMFZALGAXZALU-SFHVURJKSA-N 1 1 404.507 2.447 50 0 HEAAMO Cc1cc(C)cc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000019800122 558285242 /nfs/dbraw/zinc/28/52/42/558285242.db2.gz YUZGCRWDGXEVJH-UHFFFAOYSA-N 1 1 415.559 2.414 50 0 HEAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000019810088 558286636 /nfs/dbraw/zinc/28/66/36/558286636.db2.gz WNSVIWKXGUDLOS-UHFFFAOYSA-N 1 1 405.495 2.103 50 0 HEAAMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000019812224 558287249 /nfs/dbraw/zinc/28/72/49/558287249.db2.gz HKLFUCDLQJEWHF-UHFFFAOYSA-N 1 1 401.532 2.105 50 0 HEAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011879085 558293699 /nfs/dbraw/zinc/29/36/99/558293699.db2.gz MAMZFPMAKBCNQB-IBGZPJMESA-N 1 1 412.534 2.206 50 0 HEAAMO Cn1nnnc1SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019842828 558294646 /nfs/dbraw/zinc/29/46/46/558294646.db2.gz LPBIJFQAHFZCPC-UHFFFAOYSA-N 1 1 408.531 2.236 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 ZINC000019860999 558298118 /nfs/dbraw/zinc/29/81/18/558298118.db2.gz OOFIEPXPMJYPNL-QGZVFWFLSA-N 1 1 413.971 2.046 50 0 HEAAMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000019877803 558300204 /nfs/dbraw/zinc/30/02/04/558300204.db2.gz KIIMSFSKWVKWMB-UHFFFAOYSA-N 1 1 417.531 2.055 50 0 HEAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)N1CCC(c2ccncc2)CC1 ZINC000011938512 558301887 /nfs/dbraw/zinc/30/18/87/558301887.db2.gz GJPMYCAVPBTDKF-JOCHJYFZSA-N 1 1 406.530 2.221 50 0 HEAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)N1CCC(c2ccncc2)CC1 ZINC000011938512 558301890 /nfs/dbraw/zinc/30/18/90/558301890.db2.gz GJPMYCAVPBTDKF-JOCHJYFZSA-N 1 1 406.530 2.221 50 0 HEAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)C3=NN(C)C(=O)CC3)C2)cc1 ZINC000011952962 558303046 /nfs/dbraw/zinc/30/30/46/558303046.db2.gz XUWKECKWBMTTIS-GOSISDBHSA-N 1 1 400.523 2.016 50 0 HEAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000011965900 558304290 /nfs/dbraw/zinc/30/42/90/558304290.db2.gz VBFARSRRFPKORQ-IBGZPJMESA-N 1 1 415.538 2.195 50 0 HEAAMO C[NH+]1CCN(c2ncnc3c4c5c(c(N6CCOCC6)nc4sc32)CCC5)CC1 ZINC000020051681 558328442 /nfs/dbraw/zinc/32/84/42/558328442.db2.gz RTZYCYUVWIFQEB-UHFFFAOYSA-N 1 1 410.547 2.317 50 0 HEAAMO CC[NH+]1CCN(C2(C(=O)NCCCn3nc(C)cc3C)Cc3ccccc3C2)CC1 ZINC000020167983 558343089 /nfs/dbraw/zinc/34/30/89/558343089.db2.gz WKRBGDVNMRAURU-UHFFFAOYSA-N 1 1 409.578 2.181 50 0 HEAAMO CN(C)CC(C)(C)C[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000020234035 558350430 /nfs/dbraw/zinc/35/04/30/558350430.db2.gz VIHGBGBQAAQAPS-INIZCTEOSA-N 1 1 401.555 2.320 50 0 HEAAMO CCc1c(C(=O)NCc2c(C)nn(C)c2C)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000012219079 558354848 /nfs/dbraw/zinc/35/48/48/558354848.db2.gz RXEVUJLHMMXYDD-GOSISDBHSA-N 1 1 413.566 2.484 50 0 HEAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CCc2ccc(=O)[nH]n2)C1 ZINC000012299994 558370130 /nfs/dbraw/zinc/37/01/30/558370130.db2.gz AGXBQAOKQVMAQG-SFHVURJKSA-N 1 1 412.534 2.124 50 0 HEAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)Cc3nonc3C)C2)cc1OC ZINC000012302708 558372433 /nfs/dbraw/zinc/37/24/33/558372433.db2.gz OXEHDLNUYXSQKU-QGZVFWFLSA-N 1 1 402.495 2.103 50 0 HEAAMO O[C@H](COc1ccccc1C[NH2+]CCOc1cccnc1)CN1CCSCC1 ZINC000012308494 558376677 /nfs/dbraw/zinc/37/66/77/558376677.db2.gz XCDNKZHUVLQHEN-IBGZPJMESA-N 1 1 403.548 2.039 50 0 HEAAMO Cc1nn(Cc2noc(C(=O)NCCCn3cc[nH+]c3C)n2)c(C)c1Br ZINC000012372209 558390062 /nfs/dbraw/zinc/39/00/62/558390062.db2.gz ZOTAATPQVUTKRT-UHFFFAOYSA-N 1 1 422.287 2.019 50 0 HEAAMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000020638817 558396941 /nfs/dbraw/zinc/39/69/41/558396941.db2.gz ZSBNIHCIDANUCD-UHFFFAOYSA-N 1 1 401.532 2.015 50 0 HEAAMO COCCCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2CCCc2ccccc2)CC1 ZINC000012430794 558405430 /nfs/dbraw/zinc/40/54/30/558405430.db2.gz HNEBZIJDJFUFAP-QFIPXVFZSA-N 1 1 415.578 2.475 50 0 HEAAMO COCCCC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2CCCc2ccccc2)CC1 ZINC000012430794 558405433 /nfs/dbraw/zinc/40/54/33/558405433.db2.gz HNEBZIJDJFUFAP-QFIPXVFZSA-N 1 1 415.578 2.475 50 0 HEAAMO COc1ccc(C[NH2+]C2CCCCCC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020779282 558412413 /nfs/dbraw/zinc/41/24/13/558412413.db2.gz ARJSSUZQZQNEJF-NRFANRHFSA-N 1 1 405.583 2.495 50 0 HEAAMO COc1ccc(CNCc2cn(C)nc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012453416 558416371 /nfs/dbraw/zinc/41/63/71/558416371.db2.gz HPTOHMXBMUWZRR-HXUWFJFHSA-N 1 1 402.539 2.253 50 0 HEAAMO COc1ccc(C[NH2+]CCc2ccccc2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020993547 558426189 /nfs/dbraw/zinc/42/61/89/558426189.db2.gz OOUTVJNESRGADL-QFIPXVFZSA-N 1 1 413.562 2.015 50 0 HEAAMO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+](C)CCOc1ccc(OC)cc1 ZINC000013020276 558504406 /nfs/dbraw/zinc/50/44/06/558504406.db2.gz CTRHRDDDMGFGGP-UHFFFAOYSA-N 1 1 419.547 2.232 50 0 HEAAMO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000013020276 558504408 /nfs/dbraw/zinc/50/44/08/558504408.db2.gz CTRHRDDDMGFGGP-UHFFFAOYSA-N 1 1 419.547 2.232 50 0 HEAAMO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022912882 558520017 /nfs/dbraw/zinc/52/00/17/558520017.db2.gz PKLWQKPETPHPAW-LJQANCHMSA-N 1 1 422.529 2.097 50 0 HEAAMO Cc1cccc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3cccc(C)c3)CC2)c1 ZINC000022925910 558523272 /nfs/dbraw/zinc/52/32/72/558523272.db2.gz JBFGKRYGGJZGTH-SZPZYZBQSA-N 1 1 414.546 2.101 50 0 HEAAMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3cccc(C)c3)CC2)c1 ZINC000022925910 558523273 /nfs/dbraw/zinc/52/32/73/558523273.db2.gz JBFGKRYGGJZGTH-SZPZYZBQSA-N 1 1 414.546 2.101 50 0 HEAAMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@H](c2cccc(Br)c2)n2ncnc2N1 ZINC000013552764 558539613 /nfs/dbraw/zinc/53/96/13/558539613.db2.gz UWQZAHAFQLGSRS-INIZCTEOSA-N 1 1 417.311 2.104 50 0 HEAAMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000014708384 558664399 /nfs/dbraw/zinc/66/43/99/558664399.db2.gz ATDCUXLNHGOTEZ-UHFFFAOYSA-N 1 1 424.520 2.369 50 0 HEAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CC[N@@H+](C2CCC2)C3)c1 ZINC000014745249 558668712 /nfs/dbraw/zinc/66/87/12/558668712.db2.gz YEJPQZNSLIJPNZ-IBGZPJMESA-N 1 1 424.545 2.448 50 0 HEAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CC[N@H+](C2CCC2)C3)c1 ZINC000014745249 558668716 /nfs/dbraw/zinc/66/87/16/558668716.db2.gz YEJPQZNSLIJPNZ-IBGZPJMESA-N 1 1 424.545 2.448 50 0 HEAAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000027389967 558672851 /nfs/dbraw/zinc/67/28/51/558672851.db2.gz GTUAQWBLMZIFIK-JOCHJYFZSA-N 1 1 404.518 2.500 50 0 HEAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015044705 558704254 /nfs/dbraw/zinc/70/42/54/558704254.db2.gz OTEGYNGFDHWSED-OAHLLOKOSA-N 1 1 422.485 2.417 50 0 HEAAMO O=C(CC[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccccc1F ZINC000028878518 558706496 /nfs/dbraw/zinc/70/64/96/558706496.db2.gz BQEVMEKCBCFAOD-HXUWFJFHSA-N 1 1 413.449 2.139 50 0 HEAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](Cc3ccccc3)n3cnnn3)CC2)cc1 ZINC000029097163 558709885 /nfs/dbraw/zinc/70/98/85/558709885.db2.gz RNOGKUOWXCTRED-QFIPXVFZSA-N 1 1 404.518 2.500 50 0 HEAAMO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022937667 558725875 /nfs/dbraw/zinc/72/58/75/558725875.db2.gz UKNAWNLYLUONAZ-DEOSSOPVSA-N 1 1 420.557 2.288 50 0 HEAAMO CCN1CCN(c2ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)n2)CC1 ZINC000015778137 558752622 /nfs/dbraw/zinc/75/26/22/558752622.db2.gz UCLVFWWSWQNDLL-UHFFFAOYSA-N 1 1 422.577 2.321 50 0 HEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016033620 558769301 /nfs/dbraw/zinc/76/93/01/558769301.db2.gz VMBKIMCBAZTGFJ-MLHJIOFPSA-N 1 1 411.820 2.480 50 0 HEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016033620 558769307 /nfs/dbraw/zinc/76/93/07/558769307.db2.gz VMBKIMCBAZTGFJ-MLHJIOFPSA-N 1 1 411.820 2.480 50 0 HEAAMO CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)Cc2cc(OC)ccc2O1 ZINC000039357868 558820378 /nfs/dbraw/zinc/82/03/78/558820378.db2.gz PFPIJPFVNRRVNI-MSOLQXFVSA-N 1 1 403.523 2.041 50 0 HEAAMO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)Cc2cc(OC)ccc2O1 ZINC000039357868 558820379 /nfs/dbraw/zinc/82/03/79/558820379.db2.gz PFPIJPFVNRRVNI-MSOLQXFVSA-N 1 1 403.523 2.041 50 0 HEAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)N4CCCCCC4)CC3)C2=O)cc1 ZINC000018271483 558835143 /nfs/dbraw/zinc/83/51/43/558835143.db2.gz UHCRUJBIRJTTIJ-HXUWFJFHSA-N 1 1 413.518 2.442 50 0 HEAAMO 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/nfs/dbraw/zinc/17/92/50/559179250.db2.gz SAMFOAHWPJEGCG-UHFFFAOYSA-N 1 1 420.557 2.084 50 0 HEAAMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000004971481 559220534 /nfs/dbraw/zinc/22/05/34/559220534.db2.gz FUGTZBGMOGUTED-INIZCTEOSA-N 1 1 405.564 2.386 50 0 HEAAMO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=[NH+]N3CCCc1ccccc1 ZINC000005148146 559252993 /nfs/dbraw/zinc/25/29/93/559252993.db2.gz IUGWPYJWMUZCDT-UHFFFAOYSA-N 1 1 408.506 2.289 50 0 HEAAMO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=[NH+]N3C/C=C/c1ccccc1 ZINC000005148147 559253037 /nfs/dbraw/zinc/25/30/37/559253037.db2.gz RSNGUSIKZRNERG-FMIVXFBMSA-N 1 1 406.490 2.369 50 0 HEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000583648145 560778947 /nfs/dbraw/zinc/77/89/47/560778947.db2.gz FPAIKKOANXNREN-SFTDATJTSA-N 1 1 412.538 2.075 50 0 HEAAMO CCOC(=O)C1CCN(c2c(=O)c(=O)c2NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000101496938 560796512 /nfs/dbraw/zinc/79/65/12/560796512.db2.gz YMWPBMTWBIJAFX-UHFFFAOYSA-N 1 1 405.539 2.129 50 0 HEAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000102951138 560835831 /nfs/dbraw/zinc/83/58/31/560835831.db2.gz HQMFASOKDIBMTQ-WOJBJXKFSA-N 1 1 406.486 2.197 50 0 HEAAMO COc1cccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[NH+](C)C)c1 ZINC000047032887 560879898 /nfs/dbraw/zinc/87/98/98/560879898.db2.gz WMWNXBIFFYUQFZ-SFHVURJKSA-N 1 1 406.504 2.438 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044571889 560896884 /nfs/dbraw/zinc/89/68/84/560896884.db2.gz HKFAHVRZNWEKQO-QGZVFWFLSA-N 1 1 413.971 2.341 50 0 HEAAMO Cc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000046140778 568430178 /nfs/dbraw/zinc/43/01/78/568430178.db2.gz SBWUABOHGUUOPB-UHFFFAOYSA-N 1 1 407.580 2.395 50 0 HEAAMO COc1cc(C[NH2+]CCc2ccccn2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012315493 568466872 /nfs/dbraw/zinc/46/68/72/568466872.db2.gz OYMICVGPXKIRCF-FQEVSTJZSA-N 1 1 417.575 2.211 50 0 HEAAMO CCc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)on1 ZINC000014972857 568499980 /nfs/dbraw/zinc/49/99/80/568499980.db2.gz JRLUYJXVNKOTHI-NRFANRHFSA-N 1 1 406.486 2.397 50 0 HEAAMO CCc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)on1 ZINC000014972857 568499982 /nfs/dbraw/zinc/49/99/82/568499982.db2.gz JRLUYJXVNKOTHI-NRFANRHFSA-N 1 1 406.486 2.397 50 0 HEAAMO CCOC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 ZINC000020411988 568605532 /nfs/dbraw/zinc/60/55/32/568605532.db2.gz PGYFRFCVPWSCKX-YQDKTPBASA-N 1 1 406.523 2.046 50 0 biogenic HEAAMO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)s1 ZINC000095455482 568617077 /nfs/dbraw/zinc/61/70/77/568617077.db2.gz ZEVONMYFNNFXIK-INIZCTEOSA-N 1 1 413.609 2.216 50 0 HEAAMO Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000020944059 568653243 /nfs/dbraw/zinc/65/32/43/568653243.db2.gz GCPVHSMWEBLPMA-UHFFFAOYSA-N 1 1 409.534 2.273 50 0 HEAAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000229653590 568714941 /nfs/dbraw/zinc/71/49/41/568714941.db2.gz ZOCBTAFRCADCIU-HLLBOEOZSA-N 1 1 409.477 2.185 50 0 HEAAMO CC(C)n1c(=O)[nH]c2c(nsc2C(=O)N2CC[NH+](C3CCCCC3)CC2)c1=O ZINC000096396692 568745215 /nfs/dbraw/zinc/74/52/15/568745215.db2.gz LZCHRDBODATVLC-UHFFFAOYSA-N 1 1 405.524 2.230 50 0 HEAAMO CCC[NH+]1CCN(C(=O)c2nc3nc(C)cc(C)c3c(N3CCSCC3)n2)CC1 ZINC000096396815 568745432 /nfs/dbraw/zinc/74/54/32/568745432.db2.gz JLMAKELRMIDJNP-UHFFFAOYSA-N 1 1 414.579 2.363 50 0 HEAAMO CCOC(=O)C1C(C[NH2+]CCCC(=O)OC)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000057531522 568852406 /nfs/dbraw/zinc/85/24/06/568852406.db2.gz SBYDOMVEVJSNMK-GOSISDBHSA-N 1 1 421.519 2.122 50 0 HEAAMO Cc1noc2nc(C)cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)c12 ZINC000670434416 568869858 /nfs/dbraw/zinc/86/98/58/568869858.db2.gz SOGZJLBUCXRLBT-LBVATQBMSA-N 1 1 417.513 2.137 50 0 HEAAMO C[NH+](C)CC(C)(C)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299791558 568875841 /nfs/dbraw/zinc/87/58/41/568875841.db2.gz GYTMNVZRJNMDAH-NRFANRHFSA-N 1 1 421.557 2.484 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cccc(OC)c4)n3)c2C)CC1 ZINC000299802232 568876763 /nfs/dbraw/zinc/87/67/63/568876763.db2.gz YGKZWKHISCQPPL-UHFFFAOYSA-N 1 1 406.490 2.424 50 0 HEAAMO Cc1cccc(N2CC[NH+](CCNC(=O)C[C@H]3Oc4ccccc4NC3=O)CC2)c1C ZINC000058064993 568882035 /nfs/dbraw/zinc/88/20/35/568882035.db2.gz FOKDYQRYDZFXTL-JOCHJYFZSA-N 1 1 422.529 2.331 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2nn(-c3cc(OC)cc(OC)c3)c(=O)c3ccccc32)CC1 ZINC000058139657 568890636 /nfs/dbraw/zinc/89/06/36/568890636.db2.gz INZSZSRVRTXERE-UHFFFAOYSA-N 1 1 422.485 2.181 50 0 HEAAMO COc1ccc(C(=O)N2CCC(C(=O)NCCCn3cc[nH+]c3C)CC2)cc1OC ZINC000670445266 568911207 /nfs/dbraw/zinc/91/12/07/568911207.db2.gz QPAOYAPQHNAJEU-UHFFFAOYSA-N 1 1 414.506 2.267 50 0 HEAAMO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012764902 568948002 /nfs/dbraw/zinc/94/80/02/568948002.db2.gz BTRVVHIBTNMHBK-MRXNPFEDSA-N 1 1 411.911 2.029 50 0 HEAAMO O=C(CCc1nnc2ccc(N3CCCC3)nn21)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000015678739 568966546 /nfs/dbraw/zinc/96/65/46/568966546.db2.gz GPJWJEZVLWUETN-QGZVFWFLSA-N 1 1 411.554 2.038 50 0 HEAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000013022840 569051210 /nfs/dbraw/zinc/05/12/10/569051210.db2.gz ZEUOUOIZAGJCAK-FQEVSTJZSA-N 1 1 411.502 2.280 50 0 HEAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000245242282 569055415 /nfs/dbraw/zinc/05/54/15/569055415.db2.gz UQCYHMBLCNISLO-UECWXEIQSA-N 1 1 417.465 2.435 50 0 HEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000244594174 569056081 /nfs/dbraw/zinc/05/60/81/569056081.db2.gz DHTQHYOARHEAEV-SJORKVTESA-N 1 1 413.609 2.387 50 0 HEAAMO O=C(Cn1c(=O)c2cccn2c2cccnc21)NCCC[N@H+]1CCc2ccccc2C1 ZINC000006797302 569125239 /nfs/dbraw/zinc/12/52/39/569125239.db2.gz OSKWZLVHUCJYKJ-UHFFFAOYSA-N 1 1 415.497 2.214 50 0 HEAAMO O=C(Nc1ccc(F)cc1)N1CC[NH+]([C@@H](C(=O)N2CCOCC2)C2CCCC2)CC1 ZINC000036310736 569131915 /nfs/dbraw/zinc/13/19/15/569131915.db2.gz RHRFCHVSVQCWCW-HXUWFJFHSA-N 1 1 418.513 2.393 50 0 HEAAMO C[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341788 569141692 /nfs/dbraw/zinc/14/16/92/569141692.db2.gz MILYDSHIEYLZSF-HXUWFJFHSA-N 1 1 424.476 2.480 50 0 HEAAMO Cc1cc2[nH]c(C(=O)NCCCN3CCCC3=O)c(C[NH+]3CCOCC3)c2s1 ZINC000065138940 569183863 /nfs/dbraw/zinc/18/38/63/569183863.db2.gz UZURXZWBNBEYFC-UHFFFAOYSA-N 1 1 404.536 2.112 50 0 HEAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)C1CCN(c2cnc3nccnc3c2)CC1 ZINC000065227429 569200326 /nfs/dbraw/zinc/20/03/26/569200326.db2.gz QRRADKKFPIZJEP-UHFFFAOYSA-N 1 1 416.529 2.416 50 0 HEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000524731933 569212470 /nfs/dbraw/zinc/21/24/70/569212470.db2.gz PRBPWFFJQODRHP-FXAWDEMLSA-N 1 1 412.534 2.287 50 0 HEAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002101874 569281567 /nfs/dbraw/zinc/28/15/67/569281567.db2.gz XSEXMNPEFWBCOD-LSDHHAIUSA-N 1 1 420.469 2.174 50 0 biogenic HEAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002101874 569281568 /nfs/dbraw/zinc/28/15/68/569281568.db2.gz XSEXMNPEFWBCOD-LSDHHAIUSA-N 1 1 420.469 2.174 50 0 biogenic HEAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000252452999 569286370 /nfs/dbraw/zinc/28/63/70/569286370.db2.gz UZVDMPJEMKGGDB-GUTXKFCHSA-N 1 1 417.622 2.480 50 0 HEAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000252452999 569286372 /nfs/dbraw/zinc/28/63/72/569286372.db2.gz UZVDMPJEMKGGDB-GUTXKFCHSA-N 1 1 417.622 2.480 50 0 HEAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000252458608 569286596 /nfs/dbraw/zinc/28/65/96/569286596.db2.gz WRNATTFOYCJVFZ-MSOLQXFVSA-N 1 1 401.459 2.409 50 0 HEAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000252458608 569286597 /nfs/dbraw/zinc/28/65/97/569286597.db2.gz WRNATTFOYCJVFZ-MSOLQXFVSA-N 1 1 401.459 2.409 50 0 HEAAMO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979058 569372891 /nfs/dbraw/zinc/37/28/91/569372891.db2.gz DAEUMICVFIDSQQ-LJQANCHMSA-N 1 1 401.463 2.462 50 0 HEAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000012992676 569406178 /nfs/dbraw/zinc/40/61/78/569406178.db2.gz XEJZBVPMVWDFKV-GOSISDBHSA-N 1 1 412.509 2.429 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040152874 571200580 /nfs/dbraw/zinc/20/05/80/571200580.db2.gz YADLCPGEDYBKGZ-GOSISDBHSA-N 1 1 417.535 2.247 50 0 HEAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000009287345 571245203 /nfs/dbraw/zinc/24/52/03/571245203.db2.gz BRCCYWVLEAIKSM-HNNXBMFYSA-N 1 1 414.535 2.000 50 0 HEAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(-n4cnnn4)cc3)c2)CCO1 ZINC000069972816 571252150 /nfs/dbraw/zinc/25/21/50/571252150.db2.gz KVIAOCUXEZAAEQ-INIZCTEOSA-N 1 1 407.478 2.205 50 0 HEAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(-n4cnnn4)cc3)c2)CCO1 ZINC000069972816 571252152 /nfs/dbraw/zinc/25/21/52/571252152.db2.gz KVIAOCUXEZAAEQ-INIZCTEOSA-N 1 1 407.478 2.205 50 0 HEAAMO O=S(=O)(NC1CC[NH+](C[C@H](O)c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000071810519 571301865 /nfs/dbraw/zinc/30/18/65/571301865.db2.gz YPOMGDULXKDLQX-SFHVURJKSA-N 1 1 422.478 2.031 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCC(CCC(=O)N3CCC[N@H+](C)CC3)CC2)cc1 ZINC000581773937 1078747960 /nfs/dbraw/zinc/74/79/60/1078747960.db2.gz BOHOCUSHDQQZHU-UHFFFAOYSA-N 1 1 407.580 2.340 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCC2CCN(S(=O)(=O)c3ccccc3C)CC2)CC1 ZINC000581774180 1078748380 /nfs/dbraw/zinc/74/83/80/1078748380.db2.gz MPKWIQVJAXVXDJ-UHFFFAOYSA-N 1 1 407.580 2.340 50 0 HEAAMO C[N@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581803150 1078779857 /nfs/dbraw/zinc/77/98/57/1078779857.db2.gz UCPSYGWOVZGGFR-OAQYLSRUSA-N 1 1 422.529 2.020 50 0 HEAAMO O=C(c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)nn1)N1CCOCC1 ZINC000581818871 1078788893 /nfs/dbraw/zinc/78/88/93/1078788893.db2.gz SWMZUOLXKNZRQA-IBGZPJMESA-N 1 1 401.486 2.334 50 0 HEAAMO COCCn1c(C)c[nH+]c1C[C@H]1CCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000581805660 1078781591 /nfs/dbraw/zinc/78/15/91/1078781591.db2.gz DZZFELFWBIHMHE-MRXNPFEDSA-N 1 1 423.535 2.108 50 0 HEAAMO Cc1noc(C)c1S(=O)(=O)N1CC(c2noc([C@H]3CCC[N@H+]3CC3CC3)n2)C1 ZINC000575542864 1076334468 /nfs/dbraw/zinc/33/44/68/1076334468.db2.gz ZUYDRHSPCSFNJH-OAHLLOKOSA-N 1 1 407.496 2.009 50 0 HEAAMO O[C@@H]1CCC[N@H+](C2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)C1 ZINC000012457523 132360890 /nfs/dbraw/zinc/36/08/90/132360890.db2.gz RBFYJKKVLSSSEM-CQSZACIVSA-N 1 1 415.523 2.112 50 0 HEAAMO C[NH+]1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034676694 132794257 /nfs/dbraw/zinc/79/42/57/132794257.db2.gz ALWRJKHLTFCFCV-UHFFFAOYSA-N 1 1 406.534 2.027 50 0 HEAAMO CC(=O)Nc1ccc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044894014 519722013 /nfs/dbraw/zinc/72/20/13/519722013.db2.gz WAOJHMCSAIYJPR-UHFFFAOYSA-N 1 1 409.490 2.111 50 0 HEAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000032843136 522177606 /nfs/dbraw/zinc/17/76/06/522177606.db2.gz WRNATTFOYCJVFZ-QZTJIDSGSA-N 1 1 401.459 2.409 50 0 HEAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000032843136 522177614 /nfs/dbraw/zinc/17/76/14/522177614.db2.gz WRNATTFOYCJVFZ-QZTJIDSGSA-N 1 1 401.459 2.409 50 0 HEAAMO COc1cc(CN2CCN(C)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000020542961 522381320 /nfs/dbraw/zinc/38/13/20/522381320.db2.gz KBDZUCCZIBBLJN-NRFANRHFSA-N 1 1 405.583 2.447 50 0 HEAAMO COc1cc(CN2CCN(C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000020542961 522381328 /nfs/dbraw/zinc/38/13/28/522381328.db2.gz KBDZUCCZIBBLJN-NRFANRHFSA-N 1 1 405.583 2.447 50 0 HEAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000040355741 523847134 /nfs/dbraw/zinc/84/71/34/523847134.db2.gz YJMCDUQLMSLONJ-ZDUSSCGKSA-N 1 1 402.476 2.338 50 0 HEAAMO Cc1c(C)c2cc(Cl)c(OCC(=O)NCCC[NH+]3CCOCC3)cc2oc1=O ZINC000020546869 525676837 /nfs/dbraw/zinc/67/68/37/525676837.db2.gz BFKCEEWNMLZMPW-UHFFFAOYSA-N 1 1 408.882 2.281 50 0 HEAAMO Cc1c(O[C@H](C)C(=O)NCCC[NH+]2CCOCC2)ccc2c3c(c(=O)oc12)CCC3 ZINC000020547445 525883057 /nfs/dbraw/zinc/88/30/57/525883057.db2.gz YVQFMJZYMJDSOF-MRXNPFEDSA-N 1 1 414.502 2.196 50 0 HEAAMO C[NH+]1CCN(c2nc(N3CCCCC3)nc3c2CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034677004 557364155 /nfs/dbraw/zinc/36/41/55/557364155.db2.gz QSTZOVYZWHTTFC-UHFFFAOYSA-N 1 1 420.561 2.417 50 0 HEAAMO CCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CC[NH+](CCO)CC2)c1=O ZINC000022696974 557783846 /nfs/dbraw/zinc/78/38/46/557783846.db2.gz RWTHUBBZVZBEJB-HXUWFJFHSA-N 1 1 405.926 2.235 50 0 HEAAMO COc1ccc(N2C[C@H](NC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000022808053 557824953 /nfs/dbraw/zinc/82/49/53/557824953.db2.gz WXRQTQBDGLLUDY-LJQANCHMSA-N 1 1 408.502 2.328 50 0 HEAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2)[C@@H]1CCOC1 ZINC000019740420 558261309 /nfs/dbraw/zinc/26/13/09/558261309.db2.gz DSDKNJQIJRGLTF-OAHLLOKOSA-N 1 1 423.439 2.008 50 0 HEAAMO O=C(c1cccnc1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019771449 558279939 /nfs/dbraw/zinc/27/99/39/558279939.db2.gz YDDUOIZDLYCZTN-FQEVSTJZSA-N 1 1 408.502 2.233 50 0 HEAAMO COc1cc(OCC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1OC ZINC000019802344 558285874 /nfs/dbraw/zinc/28/58/74/558285874.db2.gz RFAZSJWALVKDNX-UHFFFAOYSA-N 1 1 414.502 2.478 50 0 HEAAMO CCOc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000019850585 558295449 /nfs/dbraw/zinc/29/54/49/558295449.db2.gz NHBHDSYOISQJIR-UHFFFAOYSA-N 1 1 417.531 2.055 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 ZINC000019861000 558298093 /nfs/dbraw/zinc/29/80/93/558298093.db2.gz OOFIEPXPMJYPNL-KRWDZBQOSA-N 1 1 413.971 2.046 50 0 HEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCCCCC3)[N@H+](Cc3ccccc3)C2)nn1 ZINC000012026100 558310247 /nfs/dbraw/zinc/31/02/47/558310247.db2.gz NHGMUNNMGHDQEH-ICSRJNTNSA-N 1 1 411.506 2.283 50 0 HEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCCCCC3)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000012026100 558310248 /nfs/dbraw/zinc/31/02/48/558310248.db2.gz NHGMUNNMGHDQEH-ICSRJNTNSA-N 1 1 411.506 2.283 50 0 HEAAMO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020069295 558330573 /nfs/dbraw/zinc/33/05/73/558330573.db2.gz RDHWUXZCBWELNX-FQEVSTJZSA-N 1 1 400.523 2.112 50 0 HEAAMO O=C(Cc1cccs1)N1CC[C@@H]([NH+]2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020202646 558346018 /nfs/dbraw/zinc/34/60/18/558346018.db2.gz AKXPEKLFTMVRQG-FGZHOGPDSA-N 1 1 413.587 2.113 50 0 HEAAMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000020234763 558350426 /nfs/dbraw/zinc/35/04/26/558350426.db2.gz QXYVZLIUQDVHKP-GOSISDBHSA-N 1 1 400.475 2.044 50 0 HEAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCOC1=O ZINC000012298622 558368766 /nfs/dbraw/zinc/36/87/66/558368766.db2.gz DQPGSKDDXCTJGE-LJQANCHMSA-N 1 1 403.523 2.250 50 0 HEAAMO 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COc1cccc(CN2CC[N@@H+](Cc3ccc(OCCO)cc3)C[C@H]2CCO)c1 ZINC000104378559 569008430 /nfs/dbraw/zinc/00/84/30/569008430.db2.gz REPCJTCGSHUAQO-OAQYLSRUSA-N 1 1 400.519 2.135 50 0 HEAAMO Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000575443979 569028599 /nfs/dbraw/zinc/02/85/99/569028599.db2.gz HSNIDZZPOCZPDK-GOSISDBHSA-N 1 1 400.523 2.388 50 0 HEAAMO CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035374830 569033966 /nfs/dbraw/zinc/03/39/66/569033966.db2.gz RSFBDYKGWKPKKX-RXVVDRJESA-N 1 1 409.486 2.252 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)ncn1 ZINC000035598104 569045891 /nfs/dbraw/zinc/04/58/91/569045891.db2.gz KKAFUHQOSMOTIL-UHFFFAOYSA-N 1 1 418.910 2.135 50 0 HEAAMO CCc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cc[nH+]c4C)ncn3)CC2)cc1 ZINC000035598101 569045900 /nfs/dbraw/zinc/04/59/00/569045900.db2.gz ONZKATMAOHVOET-UHFFFAOYSA-N 1 1 412.519 2.044 50 0 HEAAMO COc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCN(CC(F)(F)F)CC2)cn1 ZINC000089466115 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CN(C)S(=O)(=O)c1ccc(NC(=O)CC[N@@H+](C)CCOc2ccccc2F)cc1 ZINC000014079377 569258485 /nfs/dbraw/zinc/25/84/85/569258485.db2.gz OUWLQDAYNDSRPY-UHFFFAOYSA-N 1 1 423.510 2.415 50 0 HEAAMO CCc1cc2c(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)cc(=O)oc2cc1O ZINC000014334040 569259555 /nfs/dbraw/zinc/25/95/55/569259555.db2.gz WEXRJMHALJHUPC-INIZCTEOSA-N 1 1 400.475 2.132 50 0 HEAAMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(-n3cncn3)c(C(F)(F)F)c2)CC1 ZINC000089943337 569269362 /nfs/dbraw/zinc/26/93/62/569269362.db2.gz HDDCYEMURLIING-AWEZNQCLSA-N 1 1 412.416 2.207 50 0 HEAAMO Cc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000007586140 569283359 /nfs/dbraw/zinc/28/33/59/569283359.db2.gz YFOMMJBEKCHYEV-GOSISDBHSA-N 1 1 408.531 2.454 50 0 HEAAMO Cc1ccccc1-n1nnnc1SCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007587695 569283471 /nfs/dbraw/zinc/28/34/71/569283471.db2.gz ZCFFJTQYCYTNMU-SFHVURJKSA-N 1 1 408.531 2.454 50 0 HEAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000252452599 569286430 /nfs/dbraw/zinc/28/64/30/569286430.db2.gz QOODKMAVZLNLSA-UYAOXDASSA-N 1 1 407.580 2.468 50 0 HEAAMO O=C(CC[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCC[NH+]1CCOCC1 ZINC000252494801 569290847 /nfs/dbraw/zinc/29/08/47/569290847.db2.gz OFGYJCQGIHNLNL-LJQANCHMSA-N 1 1 424.501 2.088 50 0 HEAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)Cc4cccnc4)CC3)C2)CC1 ZINC000581820113 569320945 /nfs/dbraw/zinc/32/09/45/569320945.db2.gz RNOWYRPDHCBDGD-JOCHJYFZSA-N 1 1 414.594 2.438 50 0 HEAAMO CC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000079478316 569431566 /nfs/dbraw/zinc/43/15/66/569431566.db2.gz WZVSYZFDRKEGHB-KRWDZBQOSA-N 1 1 423.517 2.499 50 0 HEAAMO CCOc1cc([C@H]2NC(=O)NC(C[NH+]3CCCCCC3)=C2C(=O)OC)ccc1O ZINC000067285648 571063963 /nfs/dbraw/zinc/06/39/63/571063963.db2.gz LWWDKJOMCORCBH-LJQANCHMSA-N 1 1 403.479 2.448 50 0 HEAAMO CCOCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C ZINC000008725094 571107943 /nfs/dbraw/zinc/10/79/43/571107943.db2.gz XAQPMFSAIJMFFS-INIZCTEOSA-N 1 1 424.505 2.047 50 0 HEAAMO O=S(=O)(c1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)o1)N1CCCC1 ZINC000040115552 571173365 /nfs/dbraw/zinc/17/33/65/571173365.db2.gz ZXHZJWYOITUGRP-UHFFFAOYSA-N 1 1 419.547 2.261 50 0 HEAAMO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000069221984 571214740 /nfs/dbraw/zinc/21/47/40/571214740.db2.gz IKMIFAVVYFRGMG-INIZCTEOSA-N 1 1 401.507 2.382 50 0 HEAAMO O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000069221984 571214741 /nfs/dbraw/zinc/21/47/41/571214741.db2.gz IKMIFAVVYFRGMG-INIZCTEOSA-N 1 1 401.507 2.382 50 0 HEAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009516127 571264979 /nfs/dbraw/zinc/26/49/79/571264979.db2.gz NOASDEWKARESIP-AWEZNQCLSA-N 1 1 419.503 2.127 50 0 HEAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009516127 571264980 /nfs/dbraw/zinc/26/49/80/571264980.db2.gz NOASDEWKARESIP-AWEZNQCLSA-N 1 1 419.503 2.127 50 0 HEAAMO Cc1[nH+]ccn1-c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 ZINC000077197079 571312538 /nfs/dbraw/zinc/31/25/38/571312538.db2.gz SDAOZVJPMQVLML-UHFFFAOYSA-N 1 1 418.910 2.135 50 0 HEAAMO COc1ccc(C(=O)N2CCC([N@H+]3C[C@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803341 1078780081 /nfs/dbraw/zinc/78/00/81/1078780081.db2.gz UXNPXTRHVIYYIU-FQEVSTJZSA-N 1 1 415.534 2.355 50 0 HEAAMO Cc1noc(C)c1S(=O)(=O)N1CC([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC000581794372 1078776528 /nfs/dbraw/zinc/77/65/28/1078776528.db2.gz CFJOVLOCJPGITI-UHFFFAOYSA-N 1 1 405.520 2.346 50 0 HEAAMO Cc1c(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cnn1C ZINC000011763858 132350327 /nfs/dbraw/zinc/35/03/27/132350327.db2.gz HKNBIWNZJXPZCS-HXUWFJFHSA-N 1 1 410.566 2.465 50 0 HEAAMO Cc1noc2ncnc(N3CCC(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)CC3)c12 ZINC000020944889 132471731 /nfs/dbraw/zinc/47/17/31/132471731.db2.gz GDSZDIUKUJEHCF-OAHLLOKOSA-N 1 1 400.527 2.381 50 0 HEAAMO COc1ccc(-n2ccnc2SCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000024097253 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CC(C)(CO)NC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091650774 559072726 /nfs/dbraw/zinc/07/27/26/559072726.db2.gz UHKSJVHXAGEEBQ-MRXNPFEDSA-N 1 1 400.523 2.396 50 0 HEAAMO COc1cc(C)ccc1OCC[N@H+]1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095382288 559080514 /nfs/dbraw/zinc/08/05/14/559080514.db2.gz KBKLNLHVPCYKOL-AUSIDOKSSA-N 1 1 402.535 2.468 50 0 HEAAMO COC(=O)CNC(=O)c1cccc(NC(=O)[C@](C)(c2ccc(F)cc2)[NH+](C)C)c1 ZINC000072301511 559122182 /nfs/dbraw/zinc/12/21/82/559122182.db2.gz JDLBEMWTWFQBHA-NRFANRHFSA-N 1 1 401.438 2.144 50 0 HEAAMO COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023997149 559187262 /nfs/dbraw/zinc/18/72/62/559187262.db2.gz QDJMVQNJCFAGQK-UHFFFAOYSA-N 1 1 404.470 2.199 50 0 HEAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@@H+](CCO)C[C@@H]12 ZINC000033428959 559190798 /nfs/dbraw/zinc/19/07/98/559190798.db2.gz BKTKCSYTIZBPQN-VWNXMTODSA-N 1 1 404.514 2.443 50 0 HEAAMO C[C@H]1C[C@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)C1 ZINC000004930041 559209032 /nfs/dbraw/zinc/20/90/32/559209032.db2.gz HTSCBTZKVJGAOL-GJZGRUSLSA-N 1 1 413.497 2.099 50 0 HEAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000252549748 559278225 /nfs/dbraw/zinc/27/82/25/559278225.db2.gz RUFXOLBYJOXMPE-UHFFFAOYSA-N 1 1 412.309 2.364 50 0 HEAAMO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000102679568 560821054 /nfs/dbraw/zinc/82/10/54/560821054.db2.gz ZCXSSIIYDDNCAT-KDURUIRLSA-N 1 1 403.910 2.245 50 0 HEAAMO COC(=O)C1=C(CN2CC[NH+](CC(C)C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318436 560858506 /nfs/dbraw/zinc/85/85/06/560858506.db2.gz GLWPOJMGPRCYEJ-FQEVSTJZSA-N 1 1 400.523 2.050 50 0 HEAAMO CCOC(=O)C1=C(CN2CC[NH+](C(C)C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318484 560858699 /nfs/dbraw/zinc/85/86/99/560858699.db2.gz RBSSRPYEKXRBBY-FQEVSTJZSA-N 1 1 400.523 2.192 50 0 HEAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000106866540 560893892 /nfs/dbraw/zinc/89/38/92/560893892.db2.gz SRIQUYHEPJEBJS-ROUUACIJSA-N 1 1 412.534 2.114 50 0 HEAAMO COc1cc(Br)c(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1OC ZINC000107508704 560896422 /nfs/dbraw/zinc/89/64/22/560896422.db2.gz PQSYHZYOPLMTAV-NEPJUHHUSA-N 1 1 416.316 2.385 50 0 HEAAMO COc1cc(Br)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1OC ZINC000107508704 560896424 /nfs/dbraw/zinc/89/64/24/560896424.db2.gz PQSYHZYOPLMTAV-NEPJUHHUSA-N 1 1 416.316 2.385 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)c2cccc(C)c2I)CC1 ZINC000048217853 568432473 /nfs/dbraw/zinc/43/24/73/568432473.db2.gz YKTYZCZOHYMVMG-UHFFFAOYSA-N 1 1 415.319 2.357 50 0 HEAAMO O=C1NCCN1C1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000048289126 568434880 /nfs/dbraw/zinc/43/48/80/568434880.db2.gz QKPBEROEAMGEDN-UHFFFAOYSA-N 1 1 409.515 2.413 50 0 HEAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000048309891 568436549 /nfs/dbraw/zinc/43/65/49/568436549.db2.gz QNDZLZULGKAQFG-HDICACEKSA-N 1 1 421.607 2.452 50 0 HEAAMO Cn1c(CN2CCOCC2)cc(=O)c(O)c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000095476762 568630617 /nfs/dbraw/zinc/63/06/17/568630617.db2.gz QIDFGVUNZIMGCM-UHFFFAOYSA-N 1 1 413.493 2.352 50 0 HEAAMO Cn1c(CN2CCOCC2)cc(=O)c(O)c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000095476762 568630621 /nfs/dbraw/zinc/63/06/21/568630621.db2.gz QIDFGVUNZIMGCM-UHFFFAOYSA-N 1 1 413.493 2.352 50 0 HEAAMO COc1ccc(NC(=O)CC[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 ZINC000020767077 568643234 /nfs/dbraw/zinc/64/32/34/568643234.db2.gz MEPUBRPGKXBFRI-UHFFFAOYSA-N 1 1 414.481 2.419 50 0 HEAAMO O=C(CCn1cccc1)NCCC[N@@H+](CCN1CCOCC1)Cc1cccs1 ZINC000021016674 568657770 /nfs/dbraw/zinc/65/77/70/568657770.db2.gz SCRTUFBNLHBDKU-UHFFFAOYSA-N 1 1 404.580 2.280 50 0 HEAAMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000095983266 568675581 /nfs/dbraw/zinc/67/55/81/568675581.db2.gz QHWXWQSNQZDZEK-HNNXBMFYSA-N 1 1 415.625 2.463 50 0 HEAAMO CCN(CC)C(=O)[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1OC(C)=O ZINC000058563753 568699819 /nfs/dbraw/zinc/69/98/19/568699819.db2.gz JSZILQVIPPROJI-QRVBRYPASA-N 1 1 404.507 2.423 50 0 world HEAAMO Cc1sc2cc(C(=O)N3CCC4(CC3)OCCO4)[nH]c2c1C[NH+]1CCOCC1 ZINC000096363765 568739474 /nfs/dbraw/zinc/73/94/74/568739474.db2.gz BGOXVPCXGVWFJC-UHFFFAOYSA-N 1 1 405.520 2.349 50 0 biogenic HEAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCn1ccc2c(cnc3ccnn32)c1=O ZINC000299754489 568782244 /nfs/dbraw/zinc/78/22/44/568782244.db2.gz XKICDWOBYLFPDY-MJGOQNOKSA-N 1 1 422.533 2.157 50 0 biogenic HEAAMO COc1ccccc1N1CC[NH+](CCCNC(=O)c2nc(-c3cccnc3)no2)CC1 ZINC000029042448 568815679 /nfs/dbraw/zinc/81/56/79/568815679.db2.gz WQYYMPPWOSESOT-UHFFFAOYSA-N 1 1 422.489 2.082 50 0 HEAAMO Cc1noc2nc(C)cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)c12 ZINC000670434417 568869850 /nfs/dbraw/zinc/86/98/50/568869850.db2.gz SOGZJLBUCXRLBT-SSSUMRQXSA-N 1 1 417.513 2.137 50 0 HEAAMO Cc1ccc(C)c(C[N@H+]2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)c1 ZINC000299758538 568872856 /nfs/dbraw/zinc/87/28/56/568872856.db2.gz JWUDLSSPKDWBHW-VXKWHMMOSA-N 1 1 404.518 2.464 50 0 HEAAMO Cc1nc[nH]c1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299765816 568873749 /nfs/dbraw/zinc/87/37/49/568873749.db2.gz BSTUVRFNYOWCBJ-IBGZPJMESA-N 1 1 402.470 2.128 50 0 HEAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000299777435 568874809 /nfs/dbraw/zinc/87/48/09/568874809.db2.gz MXZHPFDRKNBLME-UHFFFAOYSA-N 1 1 412.519 2.151 50 0 HEAAMO C[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)[C@@H](c2ccccc2)C1 ZINC000058015436 568876124 /nfs/dbraw/zinc/87/61/24/568876124.db2.gz BTRMLJGTUUJXDF-OAQYLSRUSA-N 1 1 420.513 2.059 50 0 HEAAMO C[N@H+]1CCN(C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)[C@@H](c2ccccc2)C1 ZINC000058015436 568876125 /nfs/dbraw/zinc/87/61/25/568876125.db2.gz BTRMLJGTUUJXDF-OAQYLSRUSA-N 1 1 420.513 2.059 50 0 HEAAMO Cc1ccc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccc(F)cc2)s1 ZINC000299798674 568876494 /nfs/dbraw/zinc/87/64/94/568876494.db2.gz ROBUDTFNHRGGEB-MJGOQNOKSA-N 1 1 414.510 2.357 50 0 HEAAMO Cc1ccc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccc(F)cc2)s1 ZINC000299798674 568876496 /nfs/dbraw/zinc/87/64/96/568876496.db2.gz ROBUDTFNHRGGEB-MJGOQNOKSA-N 1 1 414.510 2.357 50 0 HEAAMO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCc4ccccc4C3)C2)c[nH]1 ZINC000015731739 568981670 /nfs/dbraw/zinc/98/16/70/568981670.db2.gz QIMQCAQWWMDPSO-INIZCTEOSA-N 1 1 417.531 2.260 50 0 HEAAMO CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)Cc2cc(OC)ccc2O1 ZINC000012157508 568987947 /nfs/dbraw/zinc/98/79/47/568987947.db2.gz PFPIJPFVNRRVNI-ZWKOTPCHSA-N 1 1 403.523 2.041 50 0 HEAAMO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)Cc2cc(OC)ccc2O1 ZINC000012157508 568987950 /nfs/dbraw/zinc/98/79/50/568987950.db2.gz PFPIJPFVNRRVNI-ZWKOTPCHSA-N 1 1 403.523 2.041 50 0 HEAAMO COC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1 ZINC000012904862 569021140 /nfs/dbraw/zinc/02/11/40/569021140.db2.gz ZADOXTBLWFXACG-SFHVURJKSA-N 1 1 403.475 2.405 50 0 HEAAMO COC(=O)c1ccc(C[NH+]2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)o1 ZINC000575414161 569025108 /nfs/dbraw/zinc/02/51/08/569025108.db2.gz AGGRHSPCRIYDET-UHFFFAOYSA-N 1 1 405.476 2.232 50 0 HEAAMO CCOc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)[NH+](C)C)cc1 ZINC000010505081 569039331 /nfs/dbraw/zinc/03/93/31/569039331.db2.gz SGLQMOJMYAETEP-SFHVURJKSA-N 1 1 406.504 2.438 50 0 HEAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000035598186 569045881 /nfs/dbraw/zinc/04/58/81/569045881.db2.gz MADUVRNJOPDMLN-UHFFFAOYSA-N 1 1 421.461 2.096 50 0 HEAAMO C[C@H]1C[N@@H+](C)CC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000241409009 569054762 /nfs/dbraw/zinc/05/47/62/569054762.db2.gz NDUVVMIZMQMBOB-HRAATJIYSA-N 1 1 419.591 2.032 50 0 HEAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065227168 569200202 /nfs/dbraw/zinc/20/02/02/569200202.db2.gz KLYWHQUDUNQGJL-FQEVSTJZSA-N 1 1 416.529 2.416 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000013691746 569257269 /nfs/dbraw/zinc/25/72/69/569257269.db2.gz WDKZIRCIAYUKBA-CTWPCTMYSA-N 1 1 407.580 2.372 50 0 HEAAMO O=C(c1ccn[nH]1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820117 569320895 /nfs/dbraw/zinc/32/08/95/569320895.db2.gz RVWUADPJACWWGR-FQEVSTJZSA-N 1 1 409.534 2.386 50 0 HEAAMO NC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253396622 569365298 /nfs/dbraw/zinc/36/52/98/569365298.db2.gz BEGATJFOUINKCJ-HNNXBMFYSA-N 1 1 400.431 2.067 50 0 biogenic HEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1ccc2c(cnc3ccnn32)c1=O ZINC000253414409 569366958 /nfs/dbraw/zinc/36/69/58/569366958.db2.gz XKICDWOBYLFPDY-PKOBYXMFSA-N 1 1 422.533 2.157 50 0 biogenic HEAAMO C[NH+]1CCN(c2ncc(I)c(OCc3ccccc3)n2)CC1 ZINC000115723973 569398020 /nfs/dbraw/zinc/39/80/20/569398020.db2.gz XCPSAEYLPFTGCS-UHFFFAOYSA-N 1 1 410.259 2.412 50 0 HEAAMO NC(=O)c1c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000019790488 569429812 /nfs/dbraw/zinc/42/98/12/569429812.db2.gz LIUJLDJHGIIUQV-UHFFFAOYSA-N 1 1 412.559 2.482 50 0 HEAAMO COc1ccc2cnn(CN3CC[NH+](CCOc4ccccc4)CC3)c(=O)c2c1OC ZINC000079494915 569432787 /nfs/dbraw/zinc/43/27/87/569432787.db2.gz MNYXJRZOWNYBQO-UHFFFAOYSA-N 1 1 424.501 2.068 50 0 HEAAMO CCOC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286590 571064467 /nfs/dbraw/zinc/06/44/67/571064467.db2.gz GZEPULFLGNGOMV-FQEVSTJZSA-N 1 1 400.523 2.058 50 0 HEAAMO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286590 571064468 /nfs/dbraw/zinc/06/44/68/571064468.db2.gz GZEPULFLGNGOMV-FQEVSTJZSA-N 1 1 400.523 2.058 50 0 HEAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286590 571064470 /nfs/dbraw/zinc/06/44/70/571064470.db2.gz GZEPULFLGNGOMV-FQEVSTJZSA-N 1 1 400.523 2.058 50 0 HEAAMO CC(C)NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 ZINC000067317618 571076147 /nfs/dbraw/zinc/07/61/47/571076147.db2.gz LVDZOIVYNZUGBK-UHFFFAOYSA-N 1 1 400.401 2.183 50 0 HEAAMO CCN1[NH+]=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1cccc(Cl)c1)c3=O ZINC000008704217 571102967 /nfs/dbraw/zinc/10/29/67/571102967.db2.gz MSJXXKORSFYORJ-LBPRGKRZSA-N 1 1 400.870 2.375 50 0 HEAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)cc1 ZINC000040087005 571157663 /nfs/dbraw/zinc/15/76/63/571157663.db2.gz UYRFDUQJWXPJAK-UHFFFAOYSA-N 1 1 420.513 2.395 50 0 HEAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccnc2-n2cncn2)C[C@H](C)O1 ZINC000040121459 571177489 /nfs/dbraw/zinc/17/74/89/571177489.db2.gz KNTCIARHNNBTRX-IRXDYDNUSA-N 1 1 406.490 2.202 50 0 HEAAMO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000245224636 571217493 /nfs/dbraw/zinc/21/74/93/571217493.db2.gz AEFYTPNNGRDFQY-OAHLLOKOSA-N 1 1 408.442 2.461 50 0 HEAAMO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000245224636 571217497 /nfs/dbraw/zinc/21/74/97/571217497.db2.gz AEFYTPNNGRDFQY-OAHLLOKOSA-N 1 1 408.442 2.461 50 0 HEAAMO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)C(C)C)c1 ZINC000245224802 571217518 /nfs/dbraw/zinc/21/75/18/571217518.db2.gz FEQQPXLECBVUBP-UZLBHIALSA-N 1 1 405.539 2.449 50 0 HEAAMO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000009528448 571266301 /nfs/dbraw/zinc/26/63/01/571266301.db2.gz HSIDBPYPGROYSH-QGZVFWFLSA-N 1 1 401.598 2.432 50 0 HEAAMO C[N@@H+](CCCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1 ZINC000009984028 571293509 /nfs/dbraw/zinc/29/35/09/571293509.db2.gz NTRRZUXAWOCCGM-UHFFFAOYSA-N 1 1 401.532 2.379 50 0 HEAAMO Cc1[nH+]ccn1-c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nn1 ZINC000077197104 571312577 /nfs/dbraw/zinc/31/25/77/571312577.db2.gz WXYUZKDZVAHODG-UHFFFAOYSA-N 1 1 417.395 2.347 50 0 HEAAMO COc1ccc(C(=O)N2CCC3(C[C@H](CN4CCOCC4)[N@@H+](C)C3)CC2)cc1F ZINC000581802328 1078771811 /nfs/dbraw/zinc/77/18/11/1078771811.db2.gz FJAKMJMMNSTOCW-GOSISDBHSA-N 1 1 405.514 2.093 50 0 HEAAMO O=C(c1ccoc1)N1CCC(N2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000581814194 1078794115 /nfs/dbraw/zinc/79/41/15/1078794115.db2.gz ABQPNWYHXUMVAH-BGYRXZFFSA-N 1 1 407.470 2.001 50 0 HEAAMO 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404.555 2.274 50 0 HEAAMO Cc1cc(C[N@H+](C)[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)on1 ZINC000014742467 558667640 /nfs/dbraw/zinc/66/76/40/558667640.db2.gz VETCHLBDLAVQKF-KRWDZBQOSA-N 1 1 415.538 2.297 50 0 HEAAMO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CC(C)(C)CN(C)C)C2 ZINC000014744060 558668331 /nfs/dbraw/zinc/66/83/31/558668331.db2.gz ZSIJGMUDFDEDHD-SFHVURJKSA-N 1 1 419.614 2.046 50 0 HEAAMO CSCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000014974503 558688882 /nfs/dbraw/zinc/68/88/82/558688882.db2.gz NUVZESWIAOSHBK-IBGZPJMESA-N 1 1 403.592 2.411 50 0 HEAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1ccccc1Cl ZINC000029049415 558709057 /nfs/dbraw/zinc/70/90/57/558709057.db2.gz WKGKAFXHBKMCAF-SFHVURJKSA-N 1 1 424.954 2.485 50 0 HEAAMO COc1ccccc1CCC(=O)N1CCC[C@@H](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000015075674 558716126 /nfs/dbraw/zinc/71/61/26/558716126.db2.gz DIZIDBLAAQENKF-IBGZPJMESA-N 1 1 401.551 2.421 50 0 HEAAMO Cc1nc(NCCNC(=O)c2cccc(C(F)(F)F)c2)cc(N2CCOCC2)[nH+]1 ZINC000036708061 558801193 /nfs/dbraw/zinc/80/11/93/558801193.db2.gz GABUYOTUMHBBEW-UHFFFAOYSA-N 1 1 409.412 2.482 50 0 HEAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016699017 558801256 /nfs/dbraw/zinc/80/12/56/558801256.db2.gz AUAHBVQNGCBQOO-VQIMIIECSA-N 1 1 407.474 2.216 50 0 HEAAMO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000032987917 558807913 /nfs/dbraw/zinc/80/79/13/558807913.db2.gz WVHCVSZRPIYTQO-PKTZIBPZSA-N 1 1 421.541 2.351 50 0 HEAAMO Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000071890458 558807965 /nfs/dbraw/zinc/80/79/65/558807965.db2.gz MBCXEDSGSDFHTN-UHFFFAOYSA-N 1 1 418.501 2.001 50 0 HEAAMO Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000071890458 558807968 /nfs/dbraw/zinc/80/79/68/558807968.db2.gz MBCXEDSGSDFHTN-UHFFFAOYSA-N 1 1 418.501 2.001 50 0 HEAAMO C[C@@H](CO)[N@H+]1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000039344818 558820148 /nfs/dbraw/zinc/82/01/48/558820148.db2.gz VLPNPWFBOWAZII-PGRDOPGGSA-N 1 1 400.494 2.479 50 0 HEAAMO C[C@@H](CO)[N@@H+]1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2cccc(F)c2)C1 ZINC000039344818 558820149 /nfs/dbraw/zinc/82/01/49/558820149.db2.gz VLPNPWFBOWAZII-PGRDOPGGSA-N 1 1 400.494 2.479 50 0 HEAAMO O[C@@H]1C[N@H+](Cc2cccn2-c2ccccn2)CC[C@H]1N1CCN(c2ccccn2)CC1 ZINC000019301169 558866558 /nfs/dbraw/zinc/86/65/58/558866558.db2.gz WFTPXFLHKSNTPC-FGZHOGPDSA-N 1 1 418.545 2.025 50 0 HEAAMO O[C@@H]1C[N@@H+](Cc2cccn2-c2ccccn2)CC[C@H]1N1CCN(c2ccccn2)CC1 ZINC000019301169 558866561 /nfs/dbraw/zinc/86/65/61/558866561.db2.gz WFTPXFLHKSNTPC-FGZHOGPDSA-N 1 1 418.545 2.025 50 0 HEAAMO COCCCNc1nc2nonc2nc1N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000055036032 558870085 /nfs/dbraw/zinc/87/00/85/558870085.db2.gz WHJDVTXGQQJZEF-UHFFFAOYSA-N 1 1 403.512 2.235 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2cc3c(nc4ccccn4c3=O)n2Cc2ccccc2)CC1 ZINC000055566630 558882744 /nfs/dbraw/zinc/88/27/44/558882744.db2.gz WRPAVBMCYAETTC-UHFFFAOYSA-N 1 1 415.497 2.475 50 0 HEAAMO CC(=O)Nc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1Cl ZINC000058086316 558898232 /nfs/dbraw/zinc/89/82/32/558898232.db2.gz FBORWMYKXPSJEE-KSSFIOAISA-N 1 1 410.902 2.157 50 0 HEAAMO O=C(Nc1ccccc1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071523574 558904497 /nfs/dbraw/zinc/90/44/97/558904497.db2.gz UQDLMMBCKUWRBJ-SFHVURJKSA-N 1 1 400.523 2.254 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CN(CC(=O)N(C)C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000058196282 558910908 /nfs/dbraw/zinc/91/09/08/558910908.db2.gz WITSVCRLZOEQLY-GOSISDBHSA-N 1 1 405.539 2.038 50 0 HEAAMO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000060061787 558940750 /nfs/dbraw/zinc/94/07/50/558940750.db2.gz QHPKIRUCLYGSKW-OWCLPIDISA-N 1 1 400.566 2.116 50 0 HEAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000060061787 558940752 /nfs/dbraw/zinc/94/07/52/558940752.db2.gz QHPKIRUCLYGSKW-OWCLPIDISA-N 1 1 400.566 2.116 50 0 HEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C/C=C/c2ccco2)CC3)cc1 ZINC000064120700 558962194 /nfs/dbraw/zinc/96/21/94/558962194.db2.gz HQAQRCXGMIEKPG-DUXPYHPUSA-N 1 1 421.501 2.424 50 0 HEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](C/C=C/c2ccco2)CC3)cc1 ZINC000064120700 558962197 /nfs/dbraw/zinc/96/21/97/558962197.db2.gz HQAQRCXGMIEKPG-DUXPYHPUSA-N 1 1 421.501 2.424 50 0 HEAAMO Cc1nccn1-c1cc(NCCNS(=O)(=O)c2ccccc2Cl)[nH+]c(C)n1 ZINC000065363165 558974153 /nfs/dbraw/zinc/97/41/53/558974153.db2.gz ZNXMJVQILFJZAL-UHFFFAOYSA-N 1 1 406.899 2.323 50 0 HEAAMO CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)C1 ZINC000033264110 558983371 /nfs/dbraw/zinc/98/33/71/558983371.db2.gz OVLRWCNHHITLSC-FQEVSTJZSA-N 1 1 402.539 2.048 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)ncn1 ZINC000067621442 558989603 /nfs/dbraw/zinc/98/96/03/558989603.db2.gz GGTVFCJQAKEFCI-UHFFFAOYSA-N 1 1 412.881 2.352 50 0 HEAAMO COCC[N@@H+](C)CCN1CC2(CCN(C(=O)c3ccc(SC)cc3)CC2)OC1=O ZINC000077375782 559002648 /nfs/dbraw/zinc/00/26/48/559002648.db2.gz PDKUWRNKZZYDQM-UHFFFAOYSA-N 1 1 421.563 2.414 50 0 HEAAMO O=C(NCCCn1cccn1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082109931 559038975 /nfs/dbraw/zinc/03/89/75/559038975.db2.gz KBSWKSRBYTXGOK-OAQYLSRUSA-N 1 1 410.566 2.161 50 0 HEAAMO Cc1nnc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082121932 559039663 /nfs/dbraw/zinc/03/96/63/559039663.db2.gz LVTBACKZUNXHRG-IBGZPJMESA-N 1 1 412.538 2.108 50 0 HEAAMO Cc1nc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)no1 ZINC000082136789 559040296 /nfs/dbraw/zinc/04/02/96/559040296.db2.gz FJXRJQLYLCTTLS-FQEVSTJZSA-N 1 1 411.550 2.413 50 0 HEAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC000082139167 559040644 /nfs/dbraw/zinc/04/06/44/559040644.db2.gz OOHDVQJPBAQPSU-LJQANCHMSA-N 1 1 409.534 2.085 50 0 HEAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC000082139167 559040645 /nfs/dbraw/zinc/04/06/45/559040645.db2.gz OOHDVQJPBAQPSU-LJQANCHMSA-N 1 1 409.534 2.085 50 0 HEAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC000082139167 559040646 /nfs/dbraw/zinc/04/06/46/559040646.db2.gz OOHDVQJPBAQPSU-LJQANCHMSA-N 1 1 409.534 2.085 50 0 HEAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000082146866 559040854 /nfs/dbraw/zinc/04/08/54/559040854.db2.gz NTRPLVNCZXIBLB-FQEVSTJZSA-N 1 1 413.566 2.480 50 0 HEAAMO O=C(CCc1nc(-c2ccc(N3CCCC3)cc2)no1)NCCC[NH+]1CCOCC1 ZINC000033283295 559045161 /nfs/dbraw/zinc/04/51/61/559045161.db2.gz GUNGJIGFJGKAPQ-UHFFFAOYSA-N 1 1 413.522 2.108 50 0 HEAAMO CC[NH+]1CCN(C(=O)Cc2c(C)nc3nc(-c4ccc(OC)cc4)nn3c2C)CC1 ZINC000086069692 559059268 /nfs/dbraw/zinc/05/92/68/559059268.db2.gz AFKHXMBXORGKSX-UHFFFAOYSA-N 1 1 408.506 2.123 50 0 HEAAMO COCCN1CC[C@]2(CN(c3cccc(C(F)(F)F)n3)CC[N@H+]2C)CCC1=O ZINC000091974070 559074850 /nfs/dbraw/zinc/07/48/50/559074850.db2.gz OYBQVGHPZOGJGB-SFHVURJKSA-N 1 1 400.445 2.250 50 0 HEAAMO COC(=O)CNC(=O)c1cccc(NC(=O)[C@@](C)(c2ccc(F)cc2)[NH+](C)C)c1 ZINC000072301510 559122194 /nfs/dbraw/zinc/12/21/94/559122194.db2.gz JDLBEMWTWFQBHA-OAQYLSRUSA-N 1 1 401.438 2.144 50 0 HEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000409413324 559250586 /nfs/dbraw/zinc/25/05/86/559250586.db2.gz HQCGVZQZOTWCIT-PCCBWWKXSA-N 1 1 415.582 2.433 50 0 HEAAMO O=C(Nc1ccccc1O)C1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000101490844 560795967 /nfs/dbraw/zinc/79/59/67/560795967.db2.gz COWNEYFKDNGWEW-LJQANCHMSA-N 1 1 407.470 2.370 50 0 HEAAMO C[NH+](C)[C@@H](CNc1c(=O)c(=O)c1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000101697236 560798364 /nfs/dbraw/zinc/79/83/64/560798364.db2.gz WSXIOVPBQBNBSZ-FQEVSTJZSA-N 1 1 422.504 2.463 50 0 HEAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)cc2)CC1 ZINC000107589945 560896853 /nfs/dbraw/zinc/89/68/53/560896853.db2.gz CLZNBGHYMTXBOZ-MRXNPFEDSA-N 1 1 412.456 2.173 50 0 HEAAMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000048275664 568435444 /nfs/dbraw/zinc/43/54/44/568435444.db2.gz PKKLOVRVTFARJH-RDTXWAMCSA-N 1 1 407.561 2.280 50 0 HEAAMO O=C1c2ccccc2C(=O)N1CC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000048326410 568439753 /nfs/dbraw/zinc/43/97/53/568439753.db2.gz RTGLNTYVNBHYTA-UHFFFAOYSA-N 1 1 408.483 2.264 50 0 HEAAMO COc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)o1 ZINC000020240567 568595868 /nfs/dbraw/zinc/59/58/68/568595868.db2.gz SPPUKMXZSMYYCO-MUUNZHRXSA-N 1 1 406.504 2.048 50 0 HEAAMO C[NH+](C)CCN(C(=O)Nc1ncc(-c2ccccc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000095462285 568621261 /nfs/dbraw/zinc/62/12/61/568621261.db2.gz PCSGQHJJFKCDNN-OAHLLOKOSA-N 1 1 408.549 2.393 50 0 HEAAMO Cc1cccc2c1ncnc2N1CC[NH+]([C@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000095999450 568680642 /nfs/dbraw/zinc/68/06/42/568680642.db2.gz PPKPRWPZHMBXRU-FQEVSTJZSA-N 1 1 409.534 2.230 50 0 HEAAMO C[NH+]1CCN(C(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)CC1 ZINC000021527812 568709663 /nfs/dbraw/zinc/70/96/63/568709663.db2.gz FOQYTDFAQIEXRZ-UHFFFAOYSA-N 1 1 401.470 2.085 50 0 HEAAMO OCC[N@@H+](C[C@@H](O)Cn1ccc2ccccc21)C[C@H](O)Cn1ccc2ccccc21 ZINC000002707530 568801952 /nfs/dbraw/zinc/80/19/52/568801952.db2.gz FWGHSGUHZNFIPN-SZPZYZBQSA-N 1 1 407.514 2.312 50 0 HEAAMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000056997282 568822388 /nfs/dbraw/zinc/82/23/88/568822388.db2.gz WKKKGFIHHQGZGC-GOSISDBHSA-N 1 1 410.493 2.117 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(CCC2=CCCCC2)c3=O)CC1 ZINC000002952799 568829403 /nfs/dbraw/zinc/82/94/03/568829403.db2.gz KZTQUPZWRFHDDD-UHFFFAOYSA-N 1 1 410.518 2.358 50 0 HEAAMO COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414201 568833334 /nfs/dbraw/zinc/83/33/34/568833334.db2.gz RZXRWTRMWNYTDK-NRFANRHFSA-N 1 1 412.534 2.418 50 0 HEAAMO COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2=O)c(OC)c1 ZINC000230207326 568854943 /nfs/dbraw/zinc/85/49/43/568854943.db2.gz ZRKBYTNENHBEQG-SCTDSRPQSA-N 1 1 415.534 2.437 50 0 biogenic HEAAMO CCC[NH+]1CCN(C(=O)c2nnn3cc(-c4ccc(Cl)cc4)[nH]c(=O)c23)CC1 ZINC000263617583 568911480 /nfs/dbraw/zinc/91/14/80/568911480.db2.gz OPAGKJMGRRDWGL-UHFFFAOYSA-N 1 1 400.870 2.318 50 0 HEAAMO COc1ccc(-n2nnnc2SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000012801392 568979048 /nfs/dbraw/zinc/97/90/48/568979048.db2.gz AYHIEMSFCHHRPR-KRWDZBQOSA-N 1 1 424.530 2.154 50 0 HEAAMO COc1ccc(OCC[N@H+](C)CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008231448 568984155 /nfs/dbraw/zinc/98/41/55/568984155.db2.gz IMMHRQHNUVMDJL-UHFFFAOYSA-N 1 1 415.446 2.125 50 0 HEAAMO COc1ccc(OCC[N@@H+](C)CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008231448 568984156 /nfs/dbraw/zinc/98/41/56/568984156.db2.gz IMMHRQHNUVMDJL-UHFFFAOYSA-N 1 1 415.446 2.125 50 0 HEAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)[NH+](C)C)cc1OC ZINC000010505526 569039304 /nfs/dbraw/zinc/03/93/04/569039304.db2.gz YZICICTUBKWHGN-MRXNPFEDSA-N 1 1 422.503 2.056 50 0 HEAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)[NH+](C)C)cc1OC ZINC000010505521 569039319 /nfs/dbraw/zinc/03/93/19/569039319.db2.gz YZICICTUBKWHGN-INIZCTEOSA-N 1 1 422.503 2.056 50 0 HEAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000013022838 569051240 /nfs/dbraw/zinc/05/12/40/569051240.db2.gz ZEUOUOIZAGJCAK-HXUWFJFHSA-N 1 1 411.502 2.280 50 0 HEAAMO C[N@H+]1CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn32)C[C@H]1c1ccccc1 ZINC000244882501 569055162 /nfs/dbraw/zinc/05/51/62/569055162.db2.gz XTCQJQBWQRCTFV-FQEVSTJZSA-N 1 1 419.529 2.295 50 0 HEAAMO CN(C(=O)C[N@@H+](C)CCCn1ccnc1)c1ccccc1C(=O)NCc1ccco1 ZINC000089346155 569058648 /nfs/dbraw/zinc/05/86/48/569058648.db2.gz PYRDRMHYCWQIGG-UHFFFAOYSA-N 1 1 409.490 2.391 50 0 HEAAMO O=C(Nc1ccccc1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)C1 ZINC000035881860 569064516 /nfs/dbraw/zinc/06/45/16/569064516.db2.gz DUVBVQJPWKQLQF-LJQANCHMSA-N 1 1 412.490 2.360 50 0 HEAAMO O=C(Nc1ccccc1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccco3)CC2)C1 ZINC000035881860 569064517 /nfs/dbraw/zinc/06/45/17/569064517.db2.gz DUVBVQJPWKQLQF-LJQANCHMSA-N 1 1 412.490 2.360 50 0 HEAAMO CCc1ccc(C[N@H+](C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cc1 ZINC000006652739 569082169 /nfs/dbraw/zinc/08/21/69/569082169.db2.gz PDWKBUOXKRXRBD-UHFFFAOYSA-N 1 1 420.513 2.055 50 0 HEAAMO CCc1ccc(C[N@@H+](C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cc1 ZINC000006652739 569082170 /nfs/dbraw/zinc/08/21/70/569082170.db2.gz PDWKBUOXKRXRBD-UHFFFAOYSA-N 1 1 420.513 2.055 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)n1C ZINC000064865851 569110766 /nfs/dbraw/zinc/11/07/66/569110766.db2.gz PSVVZNALDOLHHW-GOSISDBHSA-N 1 1 424.611 2.277 50 0 HEAAMO COCCN(C[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000169679002 569126628 /nfs/dbraw/zinc/12/66/28/569126628.db2.gz ZFPHUTIURXRJMP-XZOQPEGZSA-N 1 1 412.530 2.080 50 0 HEAAMO COCCN(C[C@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000169679002 569126630 /nfs/dbraw/zinc/12/66/30/569126630.db2.gz 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HEAAMO CCN1CC[NH+](CCCNC(=O)c2cn3ccnc(-c4ccc(C)cc4)c3n2)CC1 ZINC000065274569 569215278 /nfs/dbraw/zinc/21/52/78/569215278.db2.gz HPTPQHLSHWTFIX-UHFFFAOYSA-N 1 1 406.534 2.462 50 0 HEAAMO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000065499469 569232617 /nfs/dbraw/zinc/23/26/17/569232617.db2.gz DQPUICHZYFTAJX-SJORKVTESA-N 1 1 406.324 2.499 50 0 HEAAMO C[C@H]1CCCN1C(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000170599769 569242790 /nfs/dbraw/zinc/24/27/90/569242790.db2.gz YZNYCCKMSMJLHZ-ZWKOTPCHSA-N 1 1 424.586 2.273 50 0 HEAAMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000089775043 569263410 /nfs/dbraw/zinc/26/34/10/569263410.db2.gz OBEAFSWUUZUGKS-RTWAWAEBSA-N 1 1 417.525 2.073 50 0 HEAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C[C@H](C)O1 ZINC000089930280 569268942 /nfs/dbraw/zinc/26/89/42/569268942.db2.gz SQZFARPLNGKJDY-FUHIMQAGSA-N 1 1 407.530 2.203 50 0 HEAAMO 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COc1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(OC)c1O ZINC000012507608 568839609 /nfs/dbraw/zinc/83/96/09/568839609.db2.gz GOZQROYOGHQNRE-SFHVURJKSA-N 1 1 411.418 2.017 50 0 HEAAMO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058007445 568874855 /nfs/dbraw/zinc/87/48/55/568874855.db2.gz AEFYTPNNGRDFQY-HNNXBMFYSA-N 1 1 408.442 2.461 50 0 HEAAMO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000058007445 568874857 /nfs/dbraw/zinc/87/48/57/568874857.db2.gz AEFYTPNNGRDFQY-HNNXBMFYSA-N 1 1 408.442 2.461 50 0 HEAAMO Cc1ncc(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 ZINC000299786737 568875623 /nfs/dbraw/zinc/87/56/23/568875623.db2.gz QEUWKYRRHMENJB-NRFANRHFSA-N 1 1 414.481 2.195 50 0 HEAAMO COc1cccc(SCC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)c1 ZINC000670443806 568906834 /nfs/dbraw/zinc/90/68/34/568906834.db2.gz YMNPFQPAYWRELT-IMBKEICKSA-N 1 1 423.582 2.471 50 0 HEAAMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000078870157 568957827 /nfs/dbraw/zinc/95/78/27/568957827.db2.gz ZQNMPBDFERNXIM-RYUDHWBXSA-N 1 1 402.358 2.381 50 0 HEAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008037746 568969904 /nfs/dbraw/zinc/96/99/04/568969904.db2.gz JZAIFYAPDRWYGF-HXUWFJFHSA-N 1 1 413.543 2.475 50 0 HEAAMO Cc1ccc2nc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)c(F)n2c1 ZINC000670471171 569001617 /nfs/dbraw/zinc/00/16/17/569001617.db2.gz AMPWCGKOCQAXAZ-LBVATQBMSA-N 1 1 419.504 2.079 50 0 HEAAMO CN1CCC([N@@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)CC1 ZINC000104314749 569008194 /nfs/dbraw/zinc/00/81/94/569008194.db2.gz MBOUDOXMGOPCSL-OAQYLSRUSA-N 1 1 411.550 2.232 50 0 HEAAMO CN1CCC([N@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)CC1 ZINC000104314749 569008195 /nfs/dbraw/zinc/00/81/95/569008195.db2.gz MBOUDOXMGOPCSL-OAQYLSRUSA-N 1 1 411.550 2.232 50 0 HEAAMO CC[N@@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000012996278 569048291 /nfs/dbraw/zinc/04/82/91/569048291.db2.gz XCIKXKOFTQAWEF-IBGZPJMESA-N 1 1 411.502 2.053 50 0 HEAAMO CC[N@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000012996278 569048292 /nfs/dbraw/zinc/04/82/92/569048292.db2.gz XCIKXKOFTQAWEF-IBGZPJMESA-N 1 1 411.502 2.053 50 0 HEAAMO CC(C)[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035855787 569063131 /nfs/dbraw/zinc/06/31/31/569063131.db2.gz RSFBDYKGWKPKKX-WIYYLYMNSA-N 1 1 409.486 2.252 50 0 HEAAMO CC(C)CNC(=O)COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000036357502 569148930 /nfs/dbraw/zinc/14/89/30/569148930.db2.gz GLKJLFXFUGZCDZ-UHFFFAOYSA-N 1 1 413.518 2.109 50 0 HEAAMO CCn1c(C[N@H+]2CCCC[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908101 569178753 /nfs/dbraw/zinc/17/87/53/569178753.db2.gz VZPYKDJDRPSVBJ-MRXNPFEDSA-N 1 1 406.552 2.452 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165159 569189521 /nfs/dbraw/zinc/18/95/21/569189521.db2.gz HWNLREZNTLKNRP-UHFFFAOYSA-N 1 1 401.536 2.257 50 0 HEAAMO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+](Cc2ccco2)C2CCCC2)cn1C ZINC000007007098 569199901 /nfs/dbraw/zinc/19/99/01/569199901.db2.gz UXDJCFIEMLQJID-UHFFFAOYSA-N 1 1 409.508 2.128 50 0 HEAAMO COc1cc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)ccc1OCc1ccccc1 ZINC000013128345 569211348 /nfs/dbraw/zinc/21/13/48/569211348.db2.gz NRFKIBHWXYNZBB-OAQYLSRUSA-N 1 1 400.519 2.399 50 0 HEAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000524732197 569212553 /nfs/dbraw/zinc/21/25/53/569212553.db2.gz HFEUUKNMDASJHA-YQVWRLOYSA-N 1 1 413.518 2.191 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)c2cn3ccnc(-c4ccc(F)cc4)c3n2)CC1 ZINC000065274532 569215273 /nfs/dbraw/zinc/21/52/73/569215273.db2.gz ZAGKQFLHJAMZSX-UHFFFAOYSA-N 1 1 410.497 2.293 50 0 HEAAMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000078808977 569420542 /nfs/dbraw/zinc/42/05/42/569420542.db2.gz BEXFNGITGCTLNX-UHFFFAOYSA-N 1 1 424.498 2.195 50 0 HEAAMO CCOc1ccc(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000078875992 569421241 /nfs/dbraw/zinc/42/12/41/569421241.db2.gz BWHVPYIULFTHEE-QGZVFWFLSA-N 1 1 405.417 2.309 50 0 HEAAMO CCCCN1C(=O)C[C@@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccc(OC)cc1 ZINC000040025423 571140218 /nfs/dbraw/zinc/14/02/18/571140218.db2.gz QCCWIXXONAUBMJ-IFMALSPDSA-N 1 1 417.550 2.223 50 0 HEAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3nnc(COc4ccccc4)n3)CC2)cc1 ZINC000040086998 571157585 /nfs/dbraw/zinc/15/75/85/571157585.db2.gz MDJCVPLUHXNZNL-UHFFFAOYSA-N 1 1 420.517 2.295 50 0 HEAAMO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F)c1ccco1 ZINC000040092198 571161497 /nfs/dbraw/zinc/16/14/97/571161497.db2.gz BRMDJIYNFBYXAL-NSHDSACASA-N 1 1 410.356 2.012 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040152875 571200653 /nfs/dbraw/zinc/20/06/53/571200653.db2.gz YADLCPGEDYBKGZ-SFHVURJKSA-N 1 1 417.535 2.247 50 0 HEAAMO Cn1nc(C2CC[NH+](CC(=O)NCCc3ccccc3)CC2)n(-c2ccccc2)c1=O ZINC000077100652 571311403 /nfs/dbraw/zinc/31/14/03/571311403.db2.gz ZWIXOMGUTSJKPQ-UHFFFAOYSA-N 1 1 419.529 2.109 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000035513247 571316914 /nfs/dbraw/zinc/31/69/14/571316914.db2.gz QFRGOGPYZPTLPN-HXUWFJFHSA-N 1 1 409.534 2.199 50 0 HEAAMO COCCn1c(C)c[nH+]c1C[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000581806363 1078782497 /nfs/dbraw/zinc/78/24/97/1078782497.db2.gz PXASZFZXSUGLGQ-CQSZACIVSA-N 1 1 421.548 2.096 50 0 HEAAMO COCCCn1c(C)c[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000581816538 1078786672 /nfs/dbraw/zinc/78/66/72/1078786672.db2.gz YRBVJUQLYIBYHG-MRXNPFEDSA-N 1 1 421.519 2.177 50 0 HEAAMO CN1CCC([N@@H+]2CCN(Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]2CCO)CC1 ZINC000200564379 1080778197 /nfs/dbraw/zinc/77/81/97/1080778197.db2.gz XIJFJVARGXOYGJ-QFIPXVFZSA-N 1 1 417.985 2.489 50 0 HEAAMO CN1CCC([N@H+]2CCN(Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]2CCO)CC1 ZINC000200564379 1080778204 /nfs/dbraw/zinc/77/82/04/1080778204.db2.gz XIJFJVARGXOYGJ-QFIPXVFZSA-N 1 1 417.985 2.489 50 0 HEAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@@H]2c1cccnc1 ZINC000009264567 132337918 /nfs/dbraw/zinc/33/79/18/132337918.db2.gz FQARVFYAARCMTQ-FQEVSTJZSA-N 1 1 401.474 2.097 50 0 HEAAMO CC(=O)N[C@@H](CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000029717210 519683709 /nfs/dbraw/zinc/68/37/09/519683709.db2.gz NFBOYSYIQHYSAS-IBGZPJMESA-N 1 1 401.532 2.464 50 0 HEAAMO CC(=O)Nc1ccc2nc(N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc(C)c2c1 ZINC000021703990 519735023 /nfs/dbraw/zinc/73/50/23/519735023.db2.gz MFXPQFUCVKZOHQ-UHFFFAOYSA-N 1 1 409.534 2.492 50 0 HEAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000032930731 524096476 /nfs/dbraw/zinc/09/64/76/524096476.db2.gz RCVLKBVDVNZVMF-KRWDZBQOSA-N 1 1 405.502 2.340 50 0 HEAAMO Cc1cccc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)c1 ZINC000045966903 524163910 /nfs/dbraw/zinc/16/39/10/524163910.db2.gz CBTAXRZSMFGBES-UHFFFAOYSA-N 1 1 400.567 2.135 50 0 HEAAMO Cc1ccccc1C(=O)Nc1nc(C(=O)NCCC[NH+]2CCN(C)CC2)cs1 ZINC000040355403 525066044 /nfs/dbraw/zinc/06/60/44/525066044.db2.gz ULAZVLZPMHBEFA-UHFFFAOYSA-N 1 1 401.536 2.071 50 0 HEAAMO Cc1cc(O[C@H](C)C(=O)NCCC[NH+]2CCOCC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000020548136 525382505 /nfs/dbraw/zinc/38/25/05/525382505.db2.gz IZMDSNSOVOOOEJ-MRXNPFEDSA-N 1 1 414.502 2.196 50 0 HEAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1cc(F)cc(Br)c1 ZINC000032930905 526490197 /nfs/dbraw/zinc/49/01/97/526490197.db2.gz BMMDAWVFONXLKF-WBMJQRKESA-N 1 1 401.276 2.055 50 0 HEAAMO CCCN(CCC)C(=O)c1coc(CN2CC[NH+](C[C@H](O)COCC(C)C)CC2)n1 ZINC000034677640 557365594 /nfs/dbraw/zinc/36/55/94/557365594.db2.gz BIYAMHVPDNTARH-IBGZPJMESA-N 1 1 424.586 2.088 50 0 HEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000022811753 557829320 /nfs/dbraw/zinc/82/93/20/557829320.db2.gz SPFSCPJQQUNUFB-HXUWFJFHSA-N 1 1 400.567 2.103 50 0 HEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000022811753 557829321 /nfs/dbraw/zinc/82/93/21/557829321.db2.gz SPFSCPJQQUNUFB-HXUWFJFHSA-N 1 1 400.567 2.103 50 0 HEAAMO COc1ccc(OC)c(COC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022918069 558260987 /nfs/dbraw/zinc/26/09/87/558260987.db2.gz CVFZWMCEVLGKNQ-OAQYLSRUSA-N 1 1 400.519 2.399 50 0 HEAAMO COc1cc(C[NH2+]CCc2ccncc2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000011816521 558279876 /nfs/dbraw/zinc/27/98/76/558279876.db2.gz URUABZVFPWIBGT-FQEVSTJZSA-N 1 1 417.575 2.211 50 0 HEAAMO C[NH+]1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000019812214 558287194 /nfs/dbraw/zinc/28/71/94/558287194.db2.gz JYIKJZYHCBZSER-UHFFFAOYSA-N 1 1 407.923 2.309 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000019860417 558297668 /nfs/dbraw/zinc/29/76/68/558297668.db2.gz QJBZIZNTEGBXDA-KRWDZBQOSA-N 1 1 413.971 2.046 50 0 HEAAMO O[C@@H](COc1cccc(CNCc2ccc(F)c(F)c2)c1)C[NH+]1CCC(O)CC1 ZINC000011957599 558303804 /nfs/dbraw/zinc/30/38/04/558303804.db2.gz IYJGPIJJSKFNFF-LJQANCHMSA-N 1 1 406.473 2.451 50 0 HEAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccccc2C)cc1 ZINC000019913226 558306792 /nfs/dbraw/zinc/30/67/92/558306792.db2.gz VUKGYNJOLRHMMI-UHFFFAOYSA-N 1 1 401.532 2.273 50 0 HEAAMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2c3cc(F)ccc3[nH]c2C(=O)OC)CC1 ZINC000020263545 558352594 /nfs/dbraw/zinc/35/25/94/558352594.db2.gz YZXMUAWFKDUPDG-UHFFFAOYSA-N 1 1 420.441 2.196 50 0 HEAAMO CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCC[NH+]3CCOCC3)ccc12 ZINC000020533637 558385235 /nfs/dbraw/zinc/38/52/35/558385235.db2.gz JXWOBLFVYNHEKA-MRXNPFEDSA-N 1 1 402.491 2.270 50 0 HEAAMO COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2CCCc2ccccc2)CC1 ZINC000012430795 558405530 /nfs/dbraw/zinc/40/55/30/558405530.db2.gz HNEBZIJDJFUFAP-JOCHJYFZSA-N 1 1 415.578 2.475 50 0 HEAAMO COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCCc2ccccc2)CC1 ZINC000012430795 558405531 /nfs/dbraw/zinc/40/55/31/558405531.db2.gz HNEBZIJDJFUFAP-JOCHJYFZSA-N 1 1 415.578 2.475 50 0 HEAAMO CCS(=O)(=O)c1ncc(CN(C)C[C@@H]2CCC[N@H+]2C)n1CCc1ccccc1 ZINC000020784302 558413393 /nfs/dbraw/zinc/41/33/93/558413393.db2.gz QLGGTUSEOCKGRS-IBGZPJMESA-N 1 1 404.580 2.445 50 0 HEAAMO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cc(F)cc(F)c1)CC2)c1ccco1 ZINC000020785759 558413859 /nfs/dbraw/zinc/41/38/59/558413859.db2.gz PMHCWWDLZSWHAB-UHFFFAOYSA-N 1 1 401.417 2.180 50 0 HEAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cc(F)cc(F)c1)CC2)c1ccco1 ZINC000020785759 558413860 /nfs/dbraw/zinc/41/38/60/558413860.db2.gz PMHCWWDLZSWHAB-UHFFFAOYSA-N 1 1 401.417 2.180 50 0 HEAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000020905938 558420727 /nfs/dbraw/zinc/42/07/27/558420727.db2.gz UFHVSPALSQFOQX-SFHVURJKSA-N 1 1 421.492 2.464 50 0 HEAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000020905938 558420729 /nfs/dbraw/zinc/42/07/29/558420729.db2.gz UFHVSPALSQFOQX-SFHVURJKSA-N 1 1 421.492 2.464 50 0 HEAAMO COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 ZINC000012703521 558448638 /nfs/dbraw/zinc/44/86/38/558448638.db2.gz HSLOOITWSHQKKL-FQEVSTJZSA-N 1 1 420.473 2.442 50 0 HEAAMO COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 ZINC000012703521 558448642 /nfs/dbraw/zinc/44/86/42/558448642.db2.gz HSLOOITWSHQKKL-FQEVSTJZSA-N 1 1 420.473 2.442 50 0 HEAAMO Cc1cc2ncn(C[NH+]3CCN(Cc4cc(=O)n5ccccc5n4)CC3)c2cc1C ZINC000022924055 558522923 /nfs/dbraw/zinc/52/29/23/558522923.db2.gz DHKJUOQMRGTUBO-UHFFFAOYSA-N 1 1 402.502 2.436 50 0 HEAAMO O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000023337594 558550085 /nfs/dbraw/zinc/55/00/85/558550085.db2.gz DNFAJENXLUBHLE-LJQANCHMSA-N 1 1 417.525 2.326 50 0 HEAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cc4c(c(OC)c3)OCO4)C2)CC1 ZINC000023375487 558555041 /nfs/dbraw/zinc/55/50/41/558555041.db2.gz JIAMZRYDJDPEOE-KRWDZBQOSA-N 1 1 405.495 2.162 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)CC1 ZINC000014129307 558623961 /nfs/dbraw/zinc/62/39/61/558623961.db2.gz KDCWIMMJFALULT-UHFFFAOYSA-N 1 1 407.470 2.269 50 0 HEAAMO C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014241574 558644146 /nfs/dbraw/zinc/64/41/46/558644146.db2.gz GDICWJUWBQPANL-GOSISDBHSA-N 1 1 411.502 2.450 50 0 HEAAMO COc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014249713 558649571 /nfs/dbraw/zinc/64/95/71/558649571.db2.gz SRSMXSGNZIZJCG-QGZVFWFLSA-N 1 1 424.530 2.154 50 0 HEAAMO CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)N2CCC[N@H+](C)CC2)c1C ZINC000065194597 558654391 /nfs/dbraw/zinc/65/43/91/558654391.db2.gz CUKKQIQOIWORKJ-UHFFFAOYSA-N 1 1 407.540 2.378 50 0 HEAAMO CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1C ZINC000065194597 558654393 /nfs/dbraw/zinc/65/43/93/558654393.db2.gz CUKKQIQOIWORKJ-UHFFFAOYSA-N 1 1 407.540 2.378 50 0 HEAAMO CC[NH+](CC)[C@H](C(=O)N[C@H](C)C(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000072284310 558715851 /nfs/dbraw/zinc/71/58/51/558715851.db2.gz UVCAPFWPOGKVKN-PBHICJAKSA-N 1 1 415.456 2.452 50 0 HEAAMO CCn1cc(C[NH2+]CC2=NO[C@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)c(C)n1 ZINC000015084116 558719975 /nfs/dbraw/zinc/71/99/75/558719975.db2.gz CBDGBVAQYVFIMX-QGZVFWFLSA-N 1 1 416.478 2.435 50 0 HEAAMO COc1ccc(N2C[C@@H](C(=O)NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)cc1 ZINC000030567043 558733157 /nfs/dbraw/zinc/73/31/57/558733157.db2.gz YDMXUYDTJZQDRY-BBWFWOEESA-N 1 1 403.523 2.052 50 0 HEAAMO COc1ccc(N2C[C@@H](C(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)cc1 ZINC000030567043 558733158 /nfs/dbraw/zinc/73/31/58/558733158.db2.gz YDMXUYDTJZQDRY-BBWFWOEESA-N 1 1 403.523 2.052 50 0 HEAAMO Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[nH+]1 ZINC000015671294 558748451 /nfs/dbraw/zinc/74/84/51/558748451.db2.gz VVRJVHVMZNDHJZ-UHFFFAOYSA-N 1 1 419.526 2.425 50 0 HEAAMO COC(=O)CN1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000072311975 558798238 /nfs/dbraw/zinc/79/82/38/558798238.db2.gz XSOJFZFUOJVVIO-UHFFFAOYSA-N 1 1 416.291 2.098 50 0 HEAAMO O=C(c1cccs1)N(CCCc1ccccc1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046141012 558839860 /nfs/dbraw/zinc/83/98/60/558839860.db2.gz NQKLDKXAHNGNAJ-UHFFFAOYSA-N 1 1 421.588 2.058 50 0 HEAAMO CN(Cc1ccncn1)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019229281 558853421 /nfs/dbraw/zinc/85/34/21/558853421.db2.gz ITMFQKWYCPORCV-UHFFFAOYSA-N 1 1 406.490 2.055 50 0 HEAAMO CCc1cnc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)nc1 ZINC000071747543 558908621 /nfs/dbraw/zinc/90/86/21/558908621.db2.gz DYZVPRMXXCBQSW-FQEVSTJZSA-N 1 1 408.550 2.431 50 0 HEAAMO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000058368218 558922348 /nfs/dbraw/zinc/92/23/48/558922348.db2.gz CGEYFWQXHQBPPP-UHFFFAOYSA-N 1 1 418.943 2.089 50 0 HEAAMO O=S(=O)(Cc1ccccc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072117712 558927703 /nfs/dbraw/zinc/92/77/03/558927703.db2.gz RADNKPXWFGZTSS-UHFFFAOYSA-N 1 1 401.536 2.119 50 0 HEAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)N1CCCOCC1 ZINC000072161426 558930228 /nfs/dbraw/zinc/93/02/28/558930228.db2.gz CXIBCBYXSFYUEJ-QHCPKHFHSA-N 1 1 421.541 2.258 50 0 HEAAMO CC[NH+]1CCN(C(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)CC1 ZINC000061720868 558946664 /nfs/dbraw/zinc/94/66/64/558946664.db2.gz WVJDBZKMWTVZHY-UHFFFAOYSA-N 1 1 419.533 2.172 50 0 HEAAMO C[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(-c2cnn(CCO)c2)nc2ccc(F)cc21 ZINC000063871046 558960597 /nfs/dbraw/zinc/96/05/97/558960597.db2.gz GNFFAJZYQXPKGG-HNNXBMFYSA-N 1 1 411.481 2.396 50 0 HEAAMO COc1ccc(C[NH+]2CCC(NC(=O)COc3coc(C)cc3=O)CC2)cc1OC ZINC000072403702 558965375 /nfs/dbraw/zinc/96/53/75/558965375.db2.gz ZVQOPMPBHRQPLY-UHFFFAOYSA-N 1 1 416.474 2.125 50 0 HEAAMO COc1cc(NC(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)cc(OC)c1 ZINC000065364767 558975934 /nfs/dbraw/zinc/97/59/34/558975934.db2.gz ZJUJKOGVNIJZFY-UHFFFAOYSA-N 1 1 423.477 2.342 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)ncn1 ZINC000072434230 558979811 /nfs/dbraw/zinc/97/98/11/558979811.db2.gz UTAOKFCPBXLIPD-UHFFFAOYSA-N 1 1 412.519 2.098 50 0 HEAAMO O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072446874 558982392 /nfs/dbraw/zinc/98/23/92/558982392.db2.gz LWLABKPKBBNGMT-UHFFFAOYSA-N 1 1 410.478 2.202 50 0 HEAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)c(C)c1 ZINC000072446705 558982436 /nfs/dbraw/zinc/98/24/36/558982436.db2.gz LKJBHGDRBFPPAG-UHFFFAOYSA-N 1 1 409.538 2.199 50 0 HEAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000067604359 558988489 /nfs/dbraw/zinc/98/84/89/558988489.db2.gz NXKTVLIAZVROLH-UHFFFAOYSA-N 1 1 412.881 2.352 50 0 HEAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(c3nc(CO)cs3)CC2)C1 ZINC000082091901 559037204 /nfs/dbraw/zinc/03/72/04/559037204.db2.gz MYBZRLWUEUKCPX-QGZVFWFLSA-N 1 1 415.563 2.028 50 0 HEAAMO CCn1ccnc1CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082107298 559038492 /nfs/dbraw/zinc/03/84/92/559038492.db2.gz PJKWHUABGMTGGW-FQEVSTJZSA-N 1 1 410.566 2.291 50 0 HEAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)no1 ZINC000082146211 559040822 /nfs/dbraw/zinc/04/08/22/559040822.db2.gz SZLOLKFRUHGTHE-KRWDZBQOSA-N 1 1 411.506 2.011 50 0 HEAAMO CCN(CC)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082161871 559041869 /nfs/dbraw/zinc/04/18/69/559041869.db2.gz FGUSDXIQJLTLJB-GOSISDBHSA-N 1 1 401.555 2.336 50 0 HEAAMO CCCCCn1c(=O)[nH]c2cc(C(=O)NCC[N@H+]3CCCC[C@H]3C)ccc2c1=O ZINC000004791754 559065529 /nfs/dbraw/zinc/06/55/29/559065529.db2.gz FHTGUCTVOSDWFN-MRXNPFEDSA-N 1 1 400.523 2.484 50 0 HEAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2[nH]nc(-c3ccccc3)c2C)C1 ZINC000091849139 559074111 /nfs/dbraw/zinc/07/41/11/559074111.db2.gz JFXJQMXFMVUFFS-MSOLQXFVSA-N 1 1 400.523 2.034 50 0 HEAAMO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2n[nH]c(-c3ccccc3)c2C)C1 ZINC000091849139 559074112 /nfs/dbraw/zinc/07/41/12/559074112.db2.gz JFXJQMXFMVUFFS-MSOLQXFVSA-N 1 1 400.523 2.034 50 0 HEAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2n[nH]c(-c3ccccc3)c2C)C1 ZINC000091849139 559074114 /nfs/dbraw/zinc/07/41/14/559074114.db2.gz JFXJQMXFMVUFFS-MSOLQXFVSA-N 1 1 400.523 2.034 50 0 HEAAMO CC(=O)N1CCC[C@@H]([NH2+]C2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)C1 ZINC000095500600 559082199 /nfs/dbraw/zinc/08/21/99/559082199.db2.gz SBJVKSJVBGRUBL-HXUWFJFHSA-N 1 1 400.571 2.345 50 0 HEAAMO COc1ccc([C@H](O)[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c(CO)c1OC ZINC000014612462 559171262 /nfs/dbraw/zinc/17/12/62/559171262.db2.gz BHLLOBXLOWXZDQ-MOPGFXCFSA-N 1 1 417.458 2.196 50 0 HEAAMO COc1ccc([C@H](O)[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(CO)c1OC ZINC000014612462 559171263 /nfs/dbraw/zinc/17/12/63/559171263.db2.gz BHLLOBXLOWXZDQ-MOPGFXCFSA-N 1 1 417.458 2.196 50 0 HEAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)C1 ZINC000004930042 559208987 /nfs/dbraw/zinc/20/89/87/559208987.db2.gz HTSCBTZKVJGAOL-HUUCEWRRSA-N 1 1 413.497 2.099 50 0 HEAAMO Cc1ccc(C)c(CN2[NH+]=C(C(C)(C)C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000005148137 559253011 /nfs/dbraw/zinc/25/30/11/559253011.db2.gz RREZWEIAXKPMIN-UHFFFAOYSA-N 1 1 408.506 2.473 50 0 HEAAMO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000003584472 560596778 /nfs/dbraw/zinc/59/67/78/560596778.db2.gz ALLDXPRGEDUPCO-UHFFFAOYSA-N 1 1 417.575 2.422 50 0 HEAAMO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000003584472 560596780 /nfs/dbraw/zinc/59/67/80/560596780.db2.gz ALLDXPRGEDUPCO-UHFFFAOYSA-N 1 1 417.575 2.422 50 0 HEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000409415194 560723482 /nfs/dbraw/zinc/72/34/82/560723482.db2.gz WKZMPKKUEWVKAY-UFYCRDLUSA-N 1 1 412.534 2.220 50 0 HEAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000106072257 560884504 /nfs/dbraw/zinc/88/45/04/560884504.db2.gz CGSNEJZSSRWOEI-IOMROCGXSA-N 1 1 419.522 2.103 50 0 HEAAMO O=C(Nc1nc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)co1)c1ccncc1 ZINC000211072613 560894256 /nfs/dbraw/zinc/89/42/56/560894256.db2.gz OTMGAROETACLBC-UHFFFAOYSA-N 1 1 405.458 2.322 50 0 HEAAMO Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NN2CC[NH+](C)CC2)c2ccccc21 ZINC000012324488 568471725 /nfs/dbraw/zinc/47/17/25/568471725.db2.gz DAJVEEDZZMJTKW-PGMHBOJBSA-N 1 1 417.513 2.228 50 0 HEAAMO Cn1cc(CN2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cn1 ZINC000014963316 568487560 /nfs/dbraw/zinc/48/75/60/568487560.db2.gz RHPXSYGRBCOJLJ-UHFFFAOYSA-N 1 1 419.957 2.408 50 0 HEAAMO CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000020116240 568589471 /nfs/dbraw/zinc/58/94/71/568589471.db2.gz REERNORVGPIFBR-MAHYXTOZSA-N 1 1 408.631 2.487 50 0 HEAAMO CN(C1CCCCC1)S(=O)(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000040105076 568617461 /nfs/dbraw/zinc/61/74/61/568617461.db2.gz FFLAHGXZDWOZTD-QGZVFWFLSA-N 1 1 400.614 2.136 50 0 HEAAMO O=C(NCC(F)(F)F)c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000095946250 568663777 /nfs/dbraw/zinc/66/37/77/568663777.db2.gz FHXWJKGZNACMSB-CQSZACIVSA-N 1 1 414.428 2.165 50 0 HEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1 ZINC000096182014 568702631 /nfs/dbraw/zinc/70/26/31/568702631.db2.gz RIJZUOLRLJSXJS-UHFFFAOYSA-N 1 1 407.474 2.301 50 0 HEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCn1ccc2c(cnc3ccnn32)c1=O ZINC000299754487 568782202 /nfs/dbraw/zinc/78/22/02/568782202.db2.gz XKICDWOBYLFPDY-HKUYNNGSSA-N 1 1 422.533 2.157 50 0 biogenic HEAAMO CCn1c(C[N@@H+]2C[C@@H]3CCC[C@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000230105091 568844242 /nfs/dbraw/zinc/84/42/42/568844242.db2.gz KRKLXDSQEKLMJO-MAUKXSAKSA-N 1 1 404.536 2.061 50 0 HEAAMO CCn1c(C[N@H+]2C[C@@H]3CCC[C@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000230105091 568844244 /nfs/dbraw/zinc/84/42/44/568844244.db2.gz KRKLXDSQEKLMJO-MAUKXSAKSA-N 1 1 404.536 2.061 50 0 HEAAMO O=C(NCCCn1ccc2ccccc21)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000670433949 568867292 /nfs/dbraw/zinc/86/72/92/568867292.db2.gz KHHRYCCNKQBLDN-LJQANCHMSA-N 1 1 403.548 2.047 50 0 HEAAMO N=C1c2ccccc2CN1NC(=O)CCCCC(=O)NN1Cc2ccccc2C1=[NH2+] ZINC000003288693 568872870 /nfs/dbraw/zinc/87/28/70/568872870.db2.gz ZQKVFNCBFXDZJP-UHFFFAOYSA-N 1 1 404.474 2.292 50 0 HEAAMO COc1ccc(CN2CCN(C)CC2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000023373926 568915911 /nfs/dbraw/zinc/91/59/11/568915911.db2.gz CREFWDVWJYZUCC-OAQYLSRUSA-N 1 1 405.583 2.448 50 0 HEAAMO CC(C)[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000012728314 568921062 /nfs/dbraw/zinc/92/10/62/568921062.db2.gz FQLBEHZPJHIPDZ-NRFANRHFSA-N 1 1 420.513 2.472 50 0 HEAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(C(F)(F)F)nc1 ZINC000670460181 568948949 /nfs/dbraw/zinc/94/89/49/568948949.db2.gz YQNHDCIEVNPXSS-IPFXWSOASA-N 1 1 416.447 2.398 50 0 HEAAMO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012774066 568953139 /nfs/dbraw/zinc/95/31/39/568953139.db2.gz AUGIZPYZGKYXKE-OAHLLOKOSA-N 1 1 417.506 2.223 50 0 HEAAMO NS(=O)(=O)c1ccc(-c2ccc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)o2)cc1 ZINC000012774071 568953236 /nfs/dbraw/zinc/95/32/36/568953236.db2.gz OOTLIZAKLIUVJU-QGZVFWFLSA-N 1 1 408.443 2.440 50 0 HEAAMO C[C@@H]1CN(C(=O)c2ccc(CNc3nc(N4CCOCC4)cc[nH+]3)cc2)C[C@H](C)O1 ZINC000084705996 568956517 /nfs/dbraw/zinc/95/65/17/568956517.db2.gz ONRYLZXOEARYAB-CALCHBBNSA-N 1 1 411.506 2.175 50 0 HEAAMO CC1=[NH+]N(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 ZINC000004316661 568962450 /nfs/dbraw/zinc/96/24/50/568962450.db2.gz KALDYVVFMLVZCQ-UHFFFAOYSA-N 1 1 414.469 2.341 50 0 HEAAMO CC[C@H]1C[N@H+](CCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)Cc2cc(OC)ccc2O1 ZINC000012157516 568988078 /nfs/dbraw/zinc/98/80/78/568988078.db2.gz PFPIJPFVNRRVNI-ROUUACIJSA-N 1 1 403.523 2.041 50 0 HEAAMO CC[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)Cc2cc(OC)ccc2O1 ZINC000012157516 568988079 /nfs/dbraw/zinc/98/80/79/568988079.db2.gz PFPIJPFVNRRVNI-ROUUACIJSA-N 1 1 403.523 2.041 50 0 HEAAMO CC(=O)Nc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000104639631 569008140 /nfs/dbraw/zinc/00/81/40/569008140.db2.gz MIKGDPKVVHPGKH-HSZRJFAPSA-N 1 1 402.583 2.386 50 0 HEAAMO C/C=C/CN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000008704232 569031975 /nfs/dbraw/zinc/03/19/75/569031975.db2.gz KPLKYEVYAYZMQN-VBROQKIQSA-N 1 1 410.453 2.417 50 0 HEAAMO CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013011295 569050164 /nfs/dbraw/zinc/05/01/64/569050164.db2.gz UCKZFIHJILGDNJ-GOSISDBHSA-N 1 1 401.532 2.476 50 0 HEAAMO NC(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000064299846 569050745 /nfs/dbraw/zinc/05/07/45/569050745.db2.gz MNSIVIORWPACFP-UHFFFAOYSA-N 1 1 403.429 2.223 50 0 HEAAMO CCCC(=O)OC[C@H](O)C[N@@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036159140 569102486 /nfs/dbraw/zinc/10/24/86/569102486.db2.gz MQKYKCFFLQWSIN-CYBMUJFWSA-N 1 1 407.536 2.390 50 0 HEAAMO CCCC(=O)OC[C@H](O)C[N@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036159140 569102488 /nfs/dbraw/zinc/10/24/88/569102488.db2.gz MQKYKCFFLQWSIN-CYBMUJFWSA-N 1 1 407.536 2.390 50 0 HEAAMO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3nc(-c4ccncn4)no3)[C@@H](C)C2)c1 ZINC000169752855 569160255 /nfs/dbraw/zinc/16/02/55/569160255.db2.gz ISCVRDHTWLPHEP-KRWDZBQOSA-N 1 1 421.505 2.166 50 0 HEAAMO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]CCCc2ccccc2)cc1 ZINC000036595019 569204516 /nfs/dbraw/zinc/20/45/16/569204516.db2.gz ZMJJQDBGMGDZKS-NHCUHLMSSA-N 1 1 421.584 2.411 50 0 HEAAMO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000089904593 569268094 /nfs/dbraw/zinc/26/80/94/569268094.db2.gz IORWHUMIWBMVIQ-VFNWGFHPSA-N 1 1 416.522 2.060 50 0 HEAAMO Cc1ccc(-n2nnnc2SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000007586145 569283282 /nfs/dbraw/zinc/28/32/82/569283282.db2.gz YFOMMJBEKCHYEV-SFHVURJKSA-N 1 1 408.531 2.454 50 0 HEAAMO COc1ccccc1CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC000253411764 569366528 /nfs/dbraw/zinc/36/65/28/569366528.db2.gz PBRRZFJFLCPANT-PCCBWWKXSA-N 1 1 413.562 2.467 50 0 biogenic HEAAMO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1OC ZINC000027777906 569394227 /nfs/dbraw/zinc/39/42/27/569394227.db2.gz ARHQYHGXKQWDJS-UHFFFAOYSA-N 1 1 403.401 2.033 50 0 HEAAMO C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000079190898 569429339 /nfs/dbraw/zinc/42/93/39/569429339.db2.gz WDAYFDBHKRSCJO-NRYAXDJKSA-N 1 1 411.546 2.474 50 0 biogenic HEAAMO CCN1CCN(CC(=O)N(CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)CC1 ZINC000019773462 569429658 /nfs/dbraw/zinc/42/96/58/569429658.db2.gz VVHFMMKHOZMSAI-UHFFFAOYSA-N 1 1 416.610 2.046 50 0 HEAAMO CC[N@H+](CCC(=O)N1CCCCC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000040086032 571156464 /nfs/dbraw/zinc/15/64/64/571156464.db2.gz XXCKTOHUMJVHPQ-UHFFFAOYSA-N 1 1 402.495 2.165 50 0 HEAAMO CC[N@@H+](CCC(=O)N1CCCCC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000040086032 571156465 /nfs/dbraw/zinc/15/64/65/571156465.db2.gz XXCKTOHUMJVHPQ-UHFFFAOYSA-N 1 1 402.495 2.165 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 ZINC000040089507 571159489 /nfs/dbraw/zinc/15/94/89/571159489.db2.gz NIIBLWOZKMYJSZ-LJQANCHMSA-N 1 1 408.974 2.238 50 0 HEAAMO CN(C1CCCCC1)S(=O)(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000040105075 571166013 /nfs/dbraw/zinc/16/60/13/571166013.db2.gz FFLAHGXZDWOZTD-KRWDZBQOSA-N 1 1 400.614 2.136 50 0 HEAAMO COc1cc(OC)c(NC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)cc1Cl ZINC000009407397 571255473 /nfs/dbraw/zinc/25/54/73/571255473.db2.gz LLAJXBGGAWCXSZ-UHFFFAOYSA-N 1 1 418.885 2.442 50 0 HEAAMO COc1ccc([C@@H](CNC(=O)Cn2ncc(=O)c3ccccc32)[NH+]2CCCC2)cc1 ZINC000009613679 571273905 /nfs/dbraw/zinc/27/39/05/571273905.db2.gz HILGCDVQMRUOJP-OAQYLSRUSA-N 1 1 406.486 2.358 50 0 HEAAMO CCN(CCNC(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1)c1cccc(C)c1 ZINC000010400174 571301999 /nfs/dbraw/zinc/30/19/99/571301999.db2.gz NDMKTBUQHSQQPU-UHFFFAOYSA-N 1 1 400.567 2.272 50 0 HEAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)CN2CCCc3nc(-c4ccccc4)ncc3C2=O)C1 ZINC000581787403 1078760720 /nfs/dbraw/zinc/76/07/20/1078760720.db2.gz HBYKGYKULWONCT-GOSISDBHSA-N 1 1 421.545 2.380 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2CCCCC(=O)N2Cc2ccccc2)CC1 ZINC000581785967 1078765638 /nfs/dbraw/zinc/76/56/38/1078765638.db2.gz SRYIJAUNSYTTEG-OAQYLSRUSA-N 1 1 400.567 2.102 50 0 HEAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)c3ccc(OC)cc23)CC[C@@H]1CO ZINC000581798860 1078769519 /nfs/dbraw/zinc/76/95/19/1078769519.db2.gz ABEGGHGNEFFFJD-OXQOHEQNSA-N 1 1 403.523 2.176 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCc2ccc3c(c2)CN(C(=O)NC(C)C)CCO3)CC1 ZINC000581800710 1078770537 /nfs/dbraw/zinc/77/05/37/1078770537.db2.gz XGDVMDOJFSIGGU-UHFFFAOYSA-N 1 1 402.539 2.096 50 0 HEAAMO COCCCn1c(C)c[nH+]c1[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000581816191 1078786681 /nfs/dbraw/zinc/78/66/81/1078786681.db2.gz NJKNMVAEHYVRIU-AWEZNQCLSA-N 1 1 421.548 2.411 50 0 HEAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ncccn2)CC1 ZINC000007684361 132325282 /nfs/dbraw/zinc/32/52/82/132325282.db2.gz OAVLELOSLDBVOQ-LJQANCHMSA-N 1 1 423.517 2.124 50 0 HEAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2ncccn2)CC1 ZINC000007684361 132325284 /nfs/dbraw/zinc/32/52/84/132325284.db2.gz OAVLELOSLDBVOQ-LJQANCHMSA-N 1 1 423.517 2.124 50 0 HEAAMO CC(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000009339021 132338766 /nfs/dbraw/zinc/33/87/66/132338766.db2.gz PNAWAVXOLUXYNC-UHFFFAOYSA-N 1 1 408.568 2.208 50 0 HEAAMO COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020598638 524072794 /nfs/dbraw/zinc/07/27/94/524072794.db2.gz OMAPSWSXOMQXQS-QFIPXVFZSA-N 1 1 413.562 2.281 50 0 HEAAMO Cc1cc(OCC(=O)NCCC[NH+]2CCOCC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000020547755 525361796 /nfs/dbraw/zinc/36/17/96/525361796.db2.gz FBYFXRVJBBLDFA-UHFFFAOYSA-N 1 1 414.502 2.198 50 0 HEAAMO Cc1c(C)c(=O)oc2c(C)c(O[C@H](C)C(=O)NCCC[NH+]3CCOCC3)ccc12 ZINC000020547104 525671772 /nfs/dbraw/zinc/67/17/72/525671772.db2.gz XPKXZKJFIPTAMD-QGZVFWFLSA-N 1 1 402.491 2.324 50 0 HEAAMO Cc1c(C)c(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCC[NH+]3CCOCC3)ccc12 ZINC000020547106 525672795 /nfs/dbraw/zinc/67/27/95/525672795.db2.gz XPKXZKJFIPTAMD-KRWDZBQOSA-N 1 1 402.491 2.324 50 0 HEAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH+]1CCN(CC2CCC2)CC1 ZINC000020536712 527037968 /nfs/dbraw/zinc/03/79/68/527037968.db2.gz ZISYHVVTJHORAG-QFIPXVFZSA-N 1 1 407.505 2.236 50 0 HEAAMO C[N@H+]1CCCN(c2cnn(Cc3nc(-c4ccccc4Cl)no3)c(=O)c2)CC1 ZINC000019720594 558258902 /nfs/dbraw/zinc/25/89/02/558258902.db2.gz MKJHSNQXQHWUFO-UHFFFAOYSA-N 1 1 400.870 2.137 50 0 HEAAMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000019811994 558286937 /nfs/dbraw/zinc/28/69/37/558286937.db2.gz COTOEQXOYKHTKI-UHFFFAOYSA-N 1 1 415.559 2.414 50 0 HEAAMO COc1ccc(CN2CCOCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011844138 558288797 /nfs/dbraw/zinc/28/87/97/558288797.db2.gz RVUKNSGEPUNKMT-OAQYLSRUSA-N 1 1 400.519 2.399 50 0 HEAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(O)cc1)CC2 ZINC000011882004 558295555 /nfs/dbraw/zinc/29/55/55/558295555.db2.gz MZTUUUQFQXUXBI-KRWDZBQOSA-N 1 1 421.501 2.298 50 0 HEAAMO O=C(NCCc1nnc2n1CC[N@H+](C/C=C/c1ccccc1)CC2)c1cccnc1 ZINC000011979405 558306143 /nfs/dbraw/zinc/30/61/43/558306143.db2.gz UFSFWCRPJOYQCK-VMPITWQZSA-N 1 1 402.502 2.217 50 0 HEAAMO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](n2cnnn2)C[N@H+]1CC1CCCCC1 ZINC000012004551 558308978 /nfs/dbraw/zinc/30/89/78/558308978.db2.gz DNJKVQQNESFSIV-PMACEKPBSA-N 1 1 412.538 2.236 50 0 HEAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccc(N2CC(=O)NC2=O)cc1 ZINC000012074273 558318930 /nfs/dbraw/zinc/31/89/30/558318930.db2.gz ZMWVFCBIRRLIEP-KRWDZBQOSA-N 1 1 410.449 2.276 50 0 HEAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccc(N2CC(=O)NC2=O)cc1 ZINC000012074273 558318931 /nfs/dbraw/zinc/31/89/31/558318931.db2.gz ZMWVFCBIRRLIEP-KRWDZBQOSA-N 1 1 410.449 2.276 50 0 HEAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2cccc(C)c2)cc1 ZINC000020232560 558350449 /nfs/dbraw/zinc/35/04/49/558350449.db2.gz RWCHYSNASFYGEM-UHFFFAOYSA-N 1 1 415.559 2.268 50 0 HEAAMO O[C@@H](COc1ccccc1C[NH2+]CCOc1cccnc1)CN1CCSCC1 ZINC000012308493 558376651 /nfs/dbraw/zinc/37/66/51/558376651.db2.gz XCDNKZHUVLQHEN-LJQANCHMSA-N 1 1 403.548 2.039 50 0 HEAAMO Cc1c(OCC(=O)NCCC[NH+]2CCOCC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000020533579 558384977 /nfs/dbraw/zinc/38/49/77/558384977.db2.gz YTMRSEKQFPHHGB-UHFFFAOYSA-N 1 1 414.502 2.198 50 0 HEAAMO Cc1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)nc1C ZINC000012431750 558406100 /nfs/dbraw/zinc/40/61/00/558406100.db2.gz DPISDVKUWOCFRX-QGZVFWFLSA-N 1 1 406.494 2.228 50 0 HEAAMO Cc1nn(C)c(C)c1CNC(=O)c1ccc(C[N@@H+](C)CCc2ccccc2)[nH]c1=O ZINC000020776161 558412155 /nfs/dbraw/zinc/41/21/55/558412155.db2.gz CXIYNHBBQFCCJL-UHFFFAOYSA-N 1 1 407.518 2.330 50 0 HEAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc(CNC(=O)c3ccccc3)n2CC1 ZINC000020785422 558413873 /nfs/dbraw/zinc/41/38/73/558413873.db2.gz UXGAWRXEKYEUOF-UHFFFAOYSA-N 1 1 421.501 2.284 50 0 HEAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc(CNC(=O)c3ccccc3)n2CC1 ZINC000020785422 558413875 /nfs/dbraw/zinc/41/38/75/558413875.db2.gz UXGAWRXEKYEUOF-UHFFFAOYSA-N 1 1 421.501 2.284 50 0 HEAAMO CCN1C[C@@H](C[N@@H+](C)Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1=O ZINC000012447031 558414574 /nfs/dbraw/zinc/41/45/74/558414574.db2.gz LHZXICLXENKCSU-CQSZACIVSA-N 1 1 402.495 2.403 50 0 HEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1CCN(C(=O)c2ccco2)CC1 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/nfs/dbraw/zinc/55/29/38/558552938.db2.gz JFOWSDQFKXMTAS-UTKZUKDTSA-N 1 1 422.598 2.397 50 0 HEAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cc4c(c(OC)c3)OCO4)C2)CC1 ZINC000023375486 558554870 /nfs/dbraw/zinc/55/48/70/558554870.db2.gz JIAMZRYDJDPEOE-QGZVFWFLSA-N 1 1 405.495 2.162 50 0 HEAAMO O=C([C@@H]1CCCO1)N1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000024947386 558622002 /nfs/dbraw/zinc/62/20/02/558622002.db2.gz VMBACPRUKBNBLK-JPYJTQIMSA-N 1 1 407.514 2.479 50 0 HEAAMO CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1cccnc1)CC2 ZINC000014542570 558660571 /nfs/dbraw/zinc/66/05/71/558660571.db2.gz ZAZXWDIYNCWQQO-UHFFFAOYSA-N 1 1 401.555 2.288 50 0 HEAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000014947734 558680033 /nfs/dbraw/zinc/68/00/33/558680033.db2.gz AXIUQBMGLJSAEY-QGZVFWFLSA-N 1 1 410.478 2.391 50 0 HEAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000014966732 558686080 /nfs/dbraw/zinc/68/60/80/558686080.db2.gz WWJVKNOMCXSPBK-UHFFFAOYSA-N 1 1 413.522 2.438 50 0 HEAAMO COC(=O)CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1OC)C2 ZINC000014981008 558691422 /nfs/dbraw/zinc/69/14/22/558691422.db2.gz KYHPELVTPQUKHE-QFIPXVFZSA-N 1 1 404.507 2.472 50 0 HEAAMO CC[C@@H]1C[N@H+](CCNC(=O)CCN2CCCCC2=O)Cc2cc(OC)ccc2O1 ZINC000014989955 558693705 /nfs/dbraw/zinc/69/37/05/558693705.db2.gz FKUWAFNRMHSTML-GOSISDBHSA-N 1 1 403.523 2.187 50 0 HEAAMO CC[C@@H]1C[N@@H+](CCNC(=O)CCN2CCCCC2=O)Cc2cc(OC)ccc2O1 ZINC000014989955 558693712 /nfs/dbraw/zinc/69/37/12/558693712.db2.gz FKUWAFNRMHSTML-GOSISDBHSA-N 1 1 403.523 2.187 50 0 HEAAMO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)C(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000072284311 558715785 /nfs/dbraw/zinc/71/57/85/558715785.db2.gz UVCAPFWPOGKVKN-RHSMWYFYSA-N 1 1 415.456 2.452 50 0 HEAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)[nH+]1 ZINC000015838314 558756184 /nfs/dbraw/zinc/75/61/84/558756184.db2.gz ZZUKWIDIJUIMON-UHFFFAOYSA-N 1 1 419.485 2.454 50 0 HEAAMO O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000072306038 558762806 /nfs/dbraw/zinc/76/28/06/558762806.db2.gz PZYLWCRGURBKTI-RTBURBONSA-N 1 1 407.536 2.076 50 0 HEAAMO COC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087018 558772686 /nfs/dbraw/zinc/77/26/86/558772686.db2.gz JEWBGQYMZCBVPN-YJYMSZOUSA-N 1 1 403.479 2.359 50 0 HEAAMO COC(=O)C1C(C[N@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087018 558772692 /nfs/dbraw/zinc/77/26/92/558772692.db2.gz JEWBGQYMZCBVPN-YJYMSZOUSA-N 1 1 403.479 2.359 50 0 HEAAMO COC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087018 558772695 /nfs/dbraw/zinc/77/26/95/558772695.db2.gz JEWBGQYMZCBVPN-YJYMSZOUSA-N 1 1 403.479 2.359 50 0 HEAAMO COC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087018 558772697 /nfs/dbraw/zinc/77/26/97/558772697.db2.gz JEWBGQYMZCBVPN-YJYMSZOUSA-N 1 1 403.479 2.359 50 0 HEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032987681 558807665 /nfs/dbraw/zinc/80/76/65/558807665.db2.gz TTYZVUUQCOFAPW-OAHLLOKOSA-N 1 1 417.535 2.298 50 0 HEAAMO OCCOc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 ZINC000039429780 558821000 /nfs/dbraw/zinc/82/10/00/558821000.db2.gz HMJJTMNNPGHSFP-LJQANCHMSA-N 1 1 406.473 2.405 50 0 HEAAMO OCCOc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 ZINC000039429780 558821002 /nfs/dbraw/zinc/82/10/02/558821002.db2.gz HMJJTMNNPGHSFP-LJQANCHMSA-N 1 1 406.473 2.405 50 0 HEAAMO COc1cccc(CN2CCC[C@](O)(C[N@H+]3CCc4[nH]nc(C(C)C)c4C3)C2=O)c1 ZINC000067982230 558862423 /nfs/dbraw/zinc/86/24/23/558862423.db2.gz ARNHHPSQEQTRGB-QHCPKHFHSA-N 1 1 412.534 2.454 50 0 HEAAMO COc1cccc(CN2CCC[C@](O)(C[N@@H+]3CCc4n[nH]c(C(C)C)c4C3)C2=O)c1 ZINC000067982230 558862424 /nfs/dbraw/zinc/86/24/24/558862424.db2.gz ARNHHPSQEQTRGB-QHCPKHFHSA-N 1 1 412.534 2.454 50 0 HEAAMO COc1cccc(CN2CCC[C@](O)(C[N@H+]3CCc4n[nH]c(C(C)C)c4C3)C2=O)c1 ZINC000067982230 558862425 /nfs/dbraw/zinc/86/24/25/558862425.db2.gz ARNHHPSQEQTRGB-QHCPKHFHSA-N 1 1 412.534 2.454 50 0 HEAAMO COc1cccc(CN2CCC[C@@](O)(C[N@H+]3CCc4[nH]nc(C(C)C)c4C3)C2=O)c1 ZINC000067982229 558862455 /nfs/dbraw/zinc/86/24/55/558862455.db2.gz ARNHHPSQEQTRGB-HSZRJFAPSA-N 1 1 412.534 2.454 50 0 HEAAMO COc1cccc(CN2CCC[C@@](O)(C[N@@H+]3CCc4n[nH]c(C(C)C)c4C3)C2=O)c1 ZINC000067982229 558862456 /nfs/dbraw/zinc/86/24/56/558862456.db2.gz ARNHHPSQEQTRGB-HSZRJFAPSA-N 1 1 412.534 2.454 50 0 HEAAMO COc1cccc(CN2CCC[C@@](O)(C[N@H+]3CCc4n[nH]c(C(C)C)c4C3)C2=O)c1 ZINC000067982229 558862459 /nfs/dbraw/zinc/86/24/59/558862459.db2.gz ARNHHPSQEQTRGB-HSZRJFAPSA-N 1 1 412.534 2.454 50 0 HEAAMO CC(=O)N1CCC([N@@H+](CC(=O)NCC(F)(F)F)Cc2ccc3c(c2)CCO3)CC1 ZINC000057996182 558893660 /nfs/dbraw/zinc/89/36/60/558893660.db2.gz XNOKJYYVHPGUPX-UHFFFAOYSA-N 1 1 413.440 2.113 50 0 HEAAMO Cc1cnc(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071416334 558897720 /nfs/dbraw/zinc/89/77/20/558897720.db2.gz GIIHFZVQSISRON-HXUWFJFHSA-N 1 1 408.550 2.486 50 0 HEAAMO COc1ccnc(CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1OC ZINC000071760349 558910080 /nfs/dbraw/zinc/91/00/80/558910080.db2.gz KFAHGVFLSAOWAU-GOSISDBHSA-N 1 1 416.566 2.398 50 0 HEAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(c3ncnc4[nH]ccc43)CC2)C1 ZINC000071764547 558910599 /nfs/dbraw/zinc/91/05/99/558910599.db2.gz JBMOJLNVVKIUDM-QGZVFWFLSA-N 1 1 419.533 2.350 50 0 HEAAMO Cc1c(F)cccc1NC(=O)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072116066 558926973 /nfs/dbraw/zinc/92/69/73/558926973.db2.gz VKDRTLLXBIACGF-UHFFFAOYSA-N 1 1 400.458 2.115 50 0 HEAAMO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)ccc21 ZINC000059746895 558938916 /nfs/dbraw/zinc/93/89/16/558938916.db2.gz LQPCEBFWJOBQHF-FQEVSTJZSA-N 1 1 405.495 2.316 50 0 HEAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)ncn2)CC1 ZINC000072442400 558982209 /nfs/dbraw/zinc/98/22/09/558982209.db2.gz UUMIRKTXCFGLAT-UHFFFAOYSA-N 1 1 415.929 2.236 50 0 HEAAMO Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000067621289 558989628 /nfs/dbraw/zinc/98/96/28/558989628.db2.gz QLUYVIZVXUYTPI-UHFFFAOYSA-N 1 1 418.910 2.135 50 0 HEAAMO CN(C)[C@H]1CC[N@H+](CCCN2CC3(CCN(C(=O)c4ccccc4)CC3)OC2=O)C1 ZINC000077388533 559003376 /nfs/dbraw/zinc/00/33/76/559003376.db2.gz HBLRDEMEOVFBHW-FQEVSTJZSA-N 1 1 414.550 2.140 50 0 HEAAMO CN(C)[C@H]1CC[N@@H+](CCCN2CC3(CCN(C(=O)c4ccccc4)CC3)OC2=O)C1 ZINC000077388533 559003377 /nfs/dbraw/zinc/00/33/77/559003377.db2.gz HBLRDEMEOVFBHW-FQEVSTJZSA-N 1 1 414.550 2.140 50 0 HEAAMO C[N@H+](CCc1ccccc1)CCN1CC2(CCN(c3ccnc(N)n3)CC2)OC1=O ZINC000077456291 559005764 /nfs/dbraw/zinc/00/57/64/559005764.db2.gz PSCUSMWHODUYAJ-UHFFFAOYSA-N 1 1 410.522 2.025 50 0 HEAAMO Nc1nccc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082107623 559038479 /nfs/dbraw/zinc/03/84/79/559038479.db2.gz WMZYNHJNSXKPLU-IBGZPJMESA-N 1 1 408.550 2.099 50 0 HEAAMO O=S(=O)(c1cccc(F)c1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230428 559042742 /nfs/dbraw/zinc/04/27/42/559042742.db2.gz LMDVNMPJLUOCQX-UHFFFAOYSA-N 1 1 405.499 2.117 50 0 HEAAMO CC[N@H+](CC(=O)NCC(=O)Nc1cc(C)ccc1OC)Cc1ccc2c(c1)OCO2 ZINC000011351814 559060310 /nfs/dbraw/zinc/06/03/10/559060310.db2.gz HUFOLYYNOJDHIE-UHFFFAOYSA-N 1 1 413.474 2.309 50 0 HEAAMO CC[N@@H+](CC(=O)NCC(=O)Nc1cc(C)ccc1OC)Cc1ccc2c(c1)OCO2 ZINC000011351814 559060312 /nfs/dbraw/zinc/06/03/12/559060312.db2.gz HUFOLYYNOJDHIE-UHFFFAOYSA-N 1 1 413.474 2.309 50 0 HEAAMO Cn1ccnc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095510059 559083592 /nfs/dbraw/zinc/08/35/92/559083592.db2.gz FKZOWITUNAZEEM-SFHVURJKSA-N 1 1 401.530 2.475 50 0 HEAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CC(=O)OC13CCCC3)CC2 ZINC000096164916 559100965 /nfs/dbraw/zinc/10/09/65/559100965.db2.gz PNIOVWMKXRNYOZ-INIZCTEOSA-N 1 1 400.523 2.371 50 0 HEAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)N4CCCCCC4)CC3)C2=O)cc1 ZINC000100188925 559131732 /nfs/dbraw/zinc/13/17/32/559131732.db2.gz UHCRUJBIRJTTIJ-FQEVSTJZSA-N 1 1 413.518 2.442 50 0 HEAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000247914136 559249191 /nfs/dbraw/zinc/24/91/91/559249191.db2.gz AUAHBVQNGCBQOO-LPHOPBHVSA-N 1 1 407.474 2.216 50 0 HEAAMO Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@@H]3C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2=O)cc1 ZINC000248078854 559261942 /nfs/dbraw/zinc/26/19/42/559261942.db2.gz IDGMZEBFGVYNAO-SEIRJHJZSA-N 1 1 413.562 2.444 50 0 HEAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000024336134 560542079 /nfs/dbraw/zinc/54/20/79/560542079.db2.gz ADIAGZXGUDWDRS-UHFFFAOYSA-N 1 1 412.509 2.349 50 0 HEAAMO COC(=O)c1c(NC(=O)C[NH+]2CCC3(CC2)OCCO3)c2c(cccc2C)n1C ZINC000005516105 560604114 /nfs/dbraw/zinc/60/41/14/560604114.db2.gz CMHBXGYNDDOESP-UHFFFAOYSA-N 1 1 401.463 2.051 50 0 HEAAMO COc1ccccc1N1CC[NH+](Cc2cc(=O)n3nc(-c4ccccc4)nc3[nH]2)CC1 ZINC000101747188 560800169 /nfs/dbraw/zinc/80/01/69/560800169.db2.gz PLJZWATXCVXXSE-UHFFFAOYSA-N 1 1 416.485 2.415 50 0 HEAAMO CCC[NH+]1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(C)cc3)NC(=O)N2)CC1 ZINC000051318480 560858734 /nfs/dbraw/zinc/85/87/34/560858734.db2.gz ZPGFYUBLBQRCQB-FQEVSTJZSA-N 1 1 400.523 2.194 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000048217849 568432429 /nfs/dbraw/zinc/43/24/29/568432429.db2.gz NRRGPEAICGHGIS-CQSZACIVSA-N 1 1 416.335 2.499 50 0 HEAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1ccc(OCc2cccnc2)cc1 ZINC000048265442 568433903 /nfs/dbraw/zinc/43/39/03/568433903.db2.gz NQEPAPFZRVVXRV-RBBKRZOGSA-N 1 1 411.502 2.128 50 0 HEAAMO COc1ccc(C(=O)N2CCN(C(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000048274480 568435353 /nfs/dbraw/zinc/43/53/53/568435353.db2.gz KTRQWERWMXIXCI-OPYAIIAOSA-N 1 1 417.550 2.113 50 0 HEAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000048343431 568440681 /nfs/dbraw/zinc/44/06/81/568440681.db2.gz NMRNCIXBGSCZLP-UHFFFAOYSA-N 1 1 412.578 2.089 50 0 HEAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1Cn1cncn1)c1cccc(F)c1 ZINC000095465334 568623447 /nfs/dbraw/zinc/62/34/47/568623447.db2.gz AVBZELPSPPTXMI-SFHVURJKSA-N 1 1 403.483 2.047 50 0 HEAAMO CS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000029157880 568647072 /nfs/dbraw/zinc/64/70/72/568647072.db2.gz TUBHWLWAYCJZFL-UHFFFAOYSA-N 1 1 415.559 2.028 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)CC1 ZINC000020925742 568651337 /nfs/dbraw/zinc/65/13/37/568651337.db2.gz HQSPARNWPOJEHV-UHFFFAOYSA-N 1 1 404.486 2.141 50 0 HEAAMO CN1C(=O)CO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000096182870 568702846 /nfs/dbraw/zinc/70/28/46/568702846.db2.gz AVUXUTQRODOWGT-FGZHOGPDSA-N 1 1 411.477 2.068 50 0 HEAAMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C(N)=O)C1 ZINC000000849988 568710995 /nfs/dbraw/zinc/71/09/95/568710995.db2.gz ZXNCRZAOBDBJPE-UHFFFAOYSA-N 1 1 406.508 2.491 50 0 HEAAMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)c3cccc(F)c3)c2C(N)=O)C1 ZINC000000849988 568710997 /nfs/dbraw/zinc/71/09/97/568710997.db2.gz ZXNCRZAOBDBJPE-UHFFFAOYSA-N 1 1 406.508 2.491 50 0 HEAAMO C[NH+]1CCN(c2nc(N3CCCC3)nc3c2CN(C(=O)c2ccccc2)CC3)CC1 ZINC000096280961 568718454 /nfs/dbraw/zinc/71/84/54/568718454.db2.gz JWYOIEKGCHXRPQ-UHFFFAOYSA-N 1 1 406.534 2.027 50 0 HEAAMO COc1ccccc1N1CC[NH+](CCNC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000055669668 568781530 /nfs/dbraw/zinc/78/15/30/568781530.db2.gz IHVUXSLGUBCLTJ-UHFFFAOYSA-N 1 1 407.470 2.354 50 0 HEAAMO COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2=O)c1 ZINC000230209310 568854870 /nfs/dbraw/zinc/85/48/70/568854870.db2.gz FWRCJYBVEAARJG-LMMKCTJWSA-N 1 1 415.534 2.437 50 0 biogenic HEAAMO O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000670439150 568885698 /nfs/dbraw/zinc/88/56/98/568885698.db2.gz CVXVPQYBXKCDJB-ZDUSSCGKSA-N 1 1 401.902 2.170 50 0 HEAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000083877871 568922166 /nfs/dbraw/zinc/92/21/66/568922166.db2.gz OLMQEBSYORSISS-KRWDZBQOSA-N 1 1 423.355 2.016 50 0 HEAAMO CCc1nn2c(nc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)cc2=O)s1 ZINC000012759812 568943934 /nfs/dbraw/zinc/94/39/34/568943934.db2.gz WLJFPTHUAGCAIS-UHFFFAOYSA-N 1 1 403.552 2.328 50 0 HEAAMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000078870154 568957758 /nfs/dbraw/zinc/95/77/58/568957758.db2.gz ZQNMPBDFERNXIM-NEPJUHHUSA-N 1 1 402.358 2.381 50 0 HEAAMO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccccc2)cc1 ZINC000019820944 569007870 /nfs/dbraw/zinc/00/78/70/569007870.db2.gz ZZGZSYVKEQSBND-VQTJNVASSA-N 1 1 407.557 2.021 50 0 HEAAMO COc1cc(C[N@@H+]2CCN(Cc3cnc(SC)nc3)C[C@H]2CCO)cc(OC)c1 ZINC000104319208 569008224 /nfs/dbraw/zinc/00/82/24/569008224.db2.gz GOPCLCOFNWQLRU-GOSISDBHSA-N 1 1 418.563 2.285 50 0 HEAAMO COc1cc(C[N@H+]2CCN(Cc3cnc(SC)nc3)C[C@H]2CCO)cc(OC)c1 ZINC000104319208 569008225 /nfs/dbraw/zinc/00/82/25/569008225.db2.gz GOPCLCOFNWQLRU-GOSISDBHSA-N 1 1 418.563 2.285 50 0 HEAAMO COCCn1c(CN2CC[N@H+]3CCC[C@H]3C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000244778589 569055122 /nfs/dbraw/zinc/05/51/22/569055122.db2.gz PTICXFDQBOWNEO-IBGZPJMESA-N 1 1 424.611 2.164 50 0 HEAAMO C[C@@H]1CCC[C@]2(C1)OC[C@@H](C(=O)N1CC[NH+](C)CC1)N2C(=O)c1ccccc1F ZINC000035805856 569060646 /nfs/dbraw/zinc/06/06/46/569060646.db2.gz CDZOKULNQMRGKV-GTCCEBARSA-N 1 1 403.498 2.347 50 0 HEAAMO Cc1ncc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1C ZINC000426582807 569073486 /nfs/dbraw/zinc/07/34/86/569073486.db2.gz KKKJDIQJKWALCR-OAQYLSRUSA-N 1 1 416.497 2.138 50 0 HEAAMO Cn1c2c(C(=O)NC3CCCC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836074 569104597 /nfs/dbraw/zinc/10/45/97/569104597.db2.gz QTPOKBYHZJTGGP-UHFFFAOYSA-N 1 1 405.502 2.264 50 0 HEAAMO CC(C)CCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000064836106 569104606 /nfs/dbraw/zinc/10/46/06/569104606.db2.gz ZKTKVWZFZXIZSM-UHFFFAOYSA-N 1 1 407.518 2.367 50 0 HEAAMO CCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000036251082 569119880 /nfs/dbraw/zinc/11/98/80/569119880.db2.gz GCGOJUVOMFLLJJ-NRFANRHFSA-N 1 1 417.550 2.499 50 0 HEAAMO C[N@@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21)Cc1ccccc1 ZINC000006797267 569125195 /nfs/dbraw/zinc/12/51/95/569125195.db2.gz JJCHIYLEFJRHSO-UHFFFAOYSA-N 1 1 403.486 2.288 50 0 HEAAMO C[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341787 569141683 /nfs/dbraw/zinc/14/16/83/569141683.db2.gz MILYDSHIEYLZSF-FQEVSTJZSA-N 1 1 424.476 2.480 50 0 HEAAMO CN(Cc1ccccc1)C(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1 ZINC000065226887 569200045 /nfs/dbraw/zinc/20/00/45/569200045.db2.gz UTOOMBZXEPIWAW-UHFFFAOYSA-N 1 1 408.550 2.103 50 0 HEAAMO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CCCOC1 ZINC000170598115 569242419 /nfs/dbraw/zinc/24/24/19/569242419.db2.gz QFXKWQBCUUXEBU-FQEVSTJZSA-N 1 1 424.519 2.054 50 0 HEAAMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000089775040 569263431 /nfs/dbraw/zinc/26/34/31/569263431.db2.gz OBEAFSWUUZUGKS-SFTDATJTSA-N 1 1 417.525 2.073 50 0 HEAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000195529521 569312025 /nfs/dbraw/zinc/31/20/25/569312025.db2.gz MRCZQNGIAVWYJZ-FUHWJXTLSA-N 1 1 406.486 2.032 50 0 HEAAMO CCOC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1 ZINC000252694743 569320196 /nfs/dbraw/zinc/32/01/96/569320196.db2.gz PGYFRFCVPWSCKX-IOTPTSGKSA-N 1 1 406.523 2.046 50 0 biogenic HEAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404725 569365881 /nfs/dbraw/zinc/36/58/81/569365881.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 1 1 423.561 2.408 50 0 HEAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000253404725 569365883 /nfs/dbraw/zinc/36/58/83/569365883.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 1 1 423.561 2.408 50 0 HEAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000253404725 569365885 /nfs/dbraw/zinc/36/58/85/569365885.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 1 1 423.561 2.408 50 0 HEAAMO NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253412020 569366535 /nfs/dbraw/zinc/36/65/35/569366535.db2.gz PQVCJKJKUAMLLA-INIZCTEOSA-N 1 1 414.458 2.110 50 0 biogenic HEAAMO Cc1nn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3sccc3n21 ZINC000019288307 569414608 /nfs/dbraw/zinc/41/46/08/569414608.db2.gz UZILXSVOWISNIL-UHFFFAOYSA-N 1 1 421.526 2.364 50 0 HEAAMO O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000019797242 569430369 /nfs/dbraw/zinc/43/03/69/569430369.db2.gz FJPMKZKSCKVPCX-ROUUACIJSA-N 1 1 413.948 2.112 50 0 HEAAMO CC(=O)Nc1cccc(NC(=O)[C@H](C)NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000079473923 569431337 /nfs/dbraw/zinc/43/13/37/569431337.db2.gz KBZUIFBDVKZFHO-KRWDZBQOSA-N 1 1 423.517 2.499 50 0 HEAAMO C[N@@H+]1CCCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)CC1 ZINC000067262638 571061778 /nfs/dbraw/zinc/06/17/78/571061778.db2.gz SJANDIJZWKPOQV-UHFFFAOYSA-N 1 1 422.514 2.252 50 0 HEAAMO C[N@H+]1CCCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)CC1 ZINC000067262638 571061782 /nfs/dbraw/zinc/06/17/82/571061782.db2.gz SJANDIJZWKPOQV-UHFFFAOYSA-N 1 1 422.514 2.252 50 0 HEAAMO CCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C ZINC000008725044 571107978 /nfs/dbraw/zinc/10/79/78/571107978.db2.gz SOQZLJHTPJQQCS-UHFFFAOYSA-N 1 1 400.870 2.204 50 0 HEAAMO CCCCN1C(=O)C[C@@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1ccc(OC)cc1 ZINC000040025425 571140306 /nfs/dbraw/zinc/14/03/06/571140306.db2.gz QCCWIXXONAUBMJ-IRLDBZIGSA-N 1 1 417.550 2.223 50 0 HEAAMO CSc1nc2nc(C)c(CC(=O)NCc3ccnc(-n4cc[nH+]c4C)c3)c(C)n2n1 ZINC000040114445 571172117 /nfs/dbraw/zinc/17/21/17/571172117.db2.gz WABXDXHLEHFYOP-UHFFFAOYSA-N 1 1 422.518 2.211 50 0 HEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000009287343 571245192 /nfs/dbraw/zinc/24/51/92/571245192.db2.gz BRCCYWVLEAIKSM-OAHLLOKOSA-N 1 1 414.535 2.000 50 0 HEAAMO Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000069923061 571249852 /nfs/dbraw/zinc/24/98/52/571249852.db2.gz WWEDLNBHBPMMOW-UHFFFAOYSA-N 1 1 418.501 2.001 50 0 HEAAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2cccc(OC)c2OC)c(OC)c1 ZINC000009375889 571252819 /nfs/dbraw/zinc/25/28/19/571252819.db2.gz UXJURBLTFIKWAG-QGZVFWFLSA-N 1 1 419.474 2.371 50 0 HEAAMO Cc1ccc(C(=O)N2CCC(CCC(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000581774625 1078748896 /nfs/dbraw/zinc/74/88/96/1078748896.db2.gz YXHWIZMTGPSWSF-UHFFFAOYSA-N 1 1 401.551 2.466 50 0 HEAAMO C[N@H+]1CCCN(C(=O)CCc2nc([C@H]3CCCN3C(=O)c3ccccc3)no2)CC1 ZINC000581785870 1078765489 /nfs/dbraw/zinc/76/54/89/1078765489.db2.gz MFFHCNNSFFFCKY-GOSISDBHSA-N 1 1 411.506 2.144 50 0 HEAAMO COCc1nnc([C@@H]2CC3(C[N@@H+]2C)CCN(C(=O)Cc2cccc(OC)c2)CC3)o1 ZINC000581802622 1078772266 /nfs/dbraw/zinc/77/22/66/1078772266.db2.gz LOIUTLHRRFDYGQ-SFHVURJKSA-N 1 1 414.506 2.453 50 0 HEAAMO COCc1nnc([C@@H]2CC3(C[N@H+]2C)CCN(C(=O)Cc2cccc(OC)c2)CC3)o1 ZINC000581802622 1078772278 /nfs/dbraw/zinc/77/22/78/1078772278.db2.gz LOIUTLHRRFDYGQ-SFHVURJKSA-N 1 1 414.506 2.453 50 0 HEAAMO CCn1cc(CN2CCC([N@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C(=O)NC)CC2)cn1 ZINC000575552779 1076345648 /nfs/dbraw/zinc/34/56/48/1076345648.db2.gz PYQMFQSEGREXIS-VXKWHMMOSA-N 1 1 411.550 2.135 50 0 HEAAMO CCn1cc(C[NH+]2CCC(N3C[C@@H](Oc4ccccc4)C[C@H]3C(=O)NC)CC2)cn1 ZINC000575552779 1076345654 /nfs/dbraw/zinc/34/56/54/1076345654.db2.gz PYQMFQSEGREXIS-VXKWHMMOSA-N 1 1 411.550 2.135 50 0 HEAAMO CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000043746968 519821239 /nfs/dbraw/zinc/82/12/39/519821239.db2.gz ZVVINHNERSCXLG-IHPCNDPISA-N 1 1 407.580 2.370 50 0 HEAAMO CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCC[NH+]3CCOCC3)ccc12 ZINC000020546316 521348517 /nfs/dbraw/zinc/34/85/17/521348517.db2.gz UTODKSBXWPYZJR-UHFFFAOYSA-N 1 1 402.491 2.271 50 0 HEAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000020208902 521356383 /nfs/dbraw/zinc/35/63/83/521356383.db2.gz STCODJPAJBYRMZ-QHCPKHFHSA-N 1 1 402.535 2.432 50 0 HEAAMO CCS(=O)(=O)c1ncc(CN2CC[N@H+]3CCC[C@@H]3C2)n1CCc1ccccc1 ZINC000020538809 521694705 /nfs/dbraw/zinc/69/47/05/521694705.db2.gz JNCHFZCFWKARFZ-LJQANCHMSA-N 1 1 402.564 2.199 50 0 HEAAMO Cc1cc(O[C@@H](C)C(=O)NCCC[NH+]2CCOCC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000020548138 525378583 /nfs/dbraw/zinc/37/85/83/525378583.db2.gz IZMDSNSOVOOOEJ-INIZCTEOSA-N 1 1 414.502 2.196 50 0 HEAAMO O=C(Cn1nnc2ccccc2c1=O)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757421 527431517 /nfs/dbraw/zinc/43/15/17/527431517.db2.gz AUFPTAOPHSJSIA-UHFFFAOYSA-N 1 1 419.510 2.351 50 0 HEAAMO CC1CCC2(CC1)OC[C@H](C(=O)N1CC[NH+](C)CC1)N2C(=O)c1ccccc1F ZINC000034854765 557476611 /nfs/dbraw/zinc/47/66/11/557476611.db2.gz KTIKJABXCOSBHW-COFLGROHSA-N 1 1 403.498 2.347 50 0 HEAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(C)CC2)C1 ZINC000004744847 557591684 /nfs/dbraw/zinc/59/16/84/557591684.db2.gz UEMHXSNZQCJLMS-OAHLLOKOSA-N 1 1 410.356 2.444 50 0 HEAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CNCc2ccccc2)c1 ZINC000011661053 558265074 /nfs/dbraw/zinc/26/50/74/558265074.db2.gz 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COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4cccs4)CC3)C2=O)c(OC)c1 ZINC000102701030 560820133 /nfs/dbraw/zinc/82/01/33/560820133.db2.gz BDPPEDUXSAXQRV-GOSISDBHSA-N 1 1 415.515 2.215 50 0 HEAAMO Cc1ncoc1C(=O)N1CCC2(CC1)C[C@H](N1CC[NH+](CC(C)C)CC1)CCO2 ZINC000575555322 560855609 /nfs/dbraw/zinc/85/56/09/560855609.db2.gz AHSUNGYLURJURK-LJQANCHMSA-N 1 1 404.555 2.410 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCn2nc(-c3cccs3)oc2=O)ccn1 ZINC000047013857 560879810 /nfs/dbraw/zinc/87/98/10/560879810.db2.gz MNZZKVJAGMNQFK-UHFFFAOYSA-N 1 1 410.459 2.160 50 0 HEAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1ccc(OCc2cccnc2)cc1 ZINC000048265436 568433891 /nfs/dbraw/zinc/43/38/91/568433891.db2.gz NQEPAPFZRVVXRV-IRLDBZIGSA-N 1 1 411.502 2.128 50 0 HEAAMO C[NH+]1CCN(C(=O)Cn2ccc(NC(=O)CSc3ccccc3Cl)n2)CC1 ZINC000095399042 568604614 /nfs/dbraw/zinc/60/46/14/568604614.db2.gz JUSVETSKKHJLFS-UHFFFAOYSA-N 1 1 407.927 2.041 50 0 HEAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000095449613 568613721 /nfs/dbraw/zinc/61/37/21/568613721.db2.gz GCOZCGYCMMARLL-UHFFFAOYSA-N 1 1 407.580 2.175 50 0 HEAAMO Cc1cccc([S@@](=O)Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)o2)c1 ZINC000020514523 568622474 /nfs/dbraw/zinc/62/24/74/568622474.db2.gz JFNAVYRGKIIKCG-MUUNZHRXSA-N 1 1 403.548 2.263 50 0 HEAAMO COCc1ccc(C[NH+]2CCN([C@@H]3CCCN(C4CCOCC4)C3=O)CC2)cc1 ZINC000095999810 568680946 /nfs/dbraw/zinc/68/09/46/568680946.db2.gz JNGAXXISNZDNHL-JOCHJYFZSA-N 1 1 401.551 2.121 50 0 HEAAMO Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000096379618 568741168 /nfs/dbraw/zinc/74/11/68/568741168.db2.gz ISZSFSKDVNNYOP-UHFFFAOYSA-N 1 1 415.519 2.327 50 0 HEAAMO Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)o1 ZINC000096379618 568741170 /nfs/dbraw/zinc/74/11/70/568741170.db2.gz ISZSFSKDVNNYOP-UHFFFAOYSA-N 1 1 415.519 2.327 50 0 HEAAMO CC(C)Cn1c(=O)[nH]c2c(nsc2C(=O)N2CC[NH+](C3CCCCC3)CC2)c1=O ZINC000096396733 568745218 /nfs/dbraw/zinc/74/52/18/568745218.db2.gz NKRLTSLMBTXGML-UHFFFAOYSA-N 1 1 419.551 2.305 50 0 HEAAMO C[C@H]1C[N@@H+](C)CC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000052198044 568759506 /nfs/dbraw/zinc/75/95/06/568759506.db2.gz NDUVVMIZMQMBOB-KKSFZXQISA-N 1 1 419.591 2.032 50 0 HEAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NC2CCCCC2)CC1 ZINC000022460029 568768188 /nfs/dbraw/zinc/76/81/88/568768188.db2.gz TZYWEABBBFIBJV-APWZRJJASA-N 1 1 406.596 2.380 50 0 HEAAMO C[NH+](C)[C@@H](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccccc1 ZINC000003355883 568857175 /nfs/dbraw/zinc/85/71/75/568857175.db2.gz OKGJHENBVIRKGU-FQEVSTJZSA-N 1 1 402.516 2.063 50 0 HEAAMO O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000504271192 568872722 /nfs/dbraw/zinc/87/27/22/568872722.db2.gz WXZHVIJYLUXOLH-UFYCRDLUSA-N 1 1 412.534 2.268 50 0 HEAAMO Cc1cnc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 ZINC000299756565 568872882 /nfs/dbraw/zinc/87/28/82/568872882.db2.gz DSTHDIPBQRWTEZ-OAQYLSRUSA-N 1 1 414.481 2.195 50 0 HEAAMO COc1cccc(C[N@H+]2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)c1 ZINC000299788528 568875564 /nfs/dbraw/zinc/87/55/64/568875564.db2.gz UQGUIHFSFQXNRS-UHFFFAOYSA-N 1 1 411.502 2.160 50 0 HEAAMO COc1cccc(C[N@@H+]2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)c1 ZINC000299788528 568875567 /nfs/dbraw/zinc/87/55/67/568875567.db2.gz UQGUIHFSFQXNRS-UHFFFAOYSA-N 1 1 411.502 2.160 50 0 HEAAMO CCCC[N@H+]1CCn2nc(CNC(=O)N3CCC[C@H](c4nnc(C)[nH]4)C3)cc2C1 ZINC000534647349 568878817 /nfs/dbraw/zinc/87/88/17/568878817.db2.gz HYKJRZDCSNFLFB-INIZCTEOSA-N 1 1 400.531 2.015 50 0 HEAAMO O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000670439149 568885662 /nfs/dbraw/zinc/88/56/62/568885662.db2.gz CVXVPQYBXKCDJB-CYBMUJFWSA-N 1 1 401.902 2.170 50 0 HEAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(-n2cccn2)cc1 ZINC000670440571 568893839 /nfs/dbraw/zinc/89/38/39/568893839.db2.gz UWTUEMJWYQAJFU-JKJRPBHFSA-N 1 1 413.525 2.170 50 0 HEAAMO CC[C@](C)(CNC(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000031162319 568916666 /nfs/dbraw/zinc/91/66/66/568916666.db2.gz ZMKFWSWKFNFETD-FYYLOGMGSA-N 1 1 418.582 2.168 50 0 HEAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc(-c2ncc[nH]2)c1 ZINC000670455392 568931419 /nfs/dbraw/zinc/93/14/19/568931419.db2.gz RLFXILMSMGNZCJ-CVCZCXRASA-N 1 1 413.525 2.374 50 0 HEAAMO NS(=O)(=O)c1ccc(-c2ccc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)o2)cc1 ZINC000012774064 568953166 /nfs/dbraw/zinc/95/31/66/568953166.db2.gz OOTLIZAKLIUVJU-KRWDZBQOSA-N 1 1 408.443 2.040 50 0 HEAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc(-n3cnnn3)cc2)CC1)Nc1ccc(F)cc1 ZINC000038581056 569002077 /nfs/dbraw/zinc/00/20/77/569002077.db2.gz WSUNPBFCPLWYHT-UHFFFAOYSA-N 1 1 423.452 2.091 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000012852327 569010517 /nfs/dbraw/zinc/01/05/17/569010517.db2.gz BFEQSBZLJHPSGA-UHFFFAOYSA-N 1 1 421.494 2.079 50 0 HEAAMO Cc1ccccc1-c1noc(N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)n1 ZINC000035374964 569033923 /nfs/dbraw/zinc/03/39/23/569033923.db2.gz ZNPFGJBGDZSOMV-UHFFFAOYSA-N 1 1 413.522 2.100 50 0 HEAAMO CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035485552 569039804 /nfs/dbraw/zinc/03/98/04/569039804.db2.gz RSFBDYKGWKPKKX-GHTZIAJQSA-N 1 1 409.486 2.252 50 0 HEAAMO COCC[N@@H+](C)CCCNC(=O)c1ccnc(Cl)c1I ZINC000089340350 569058626 /nfs/dbraw/zinc/05/86/26/569058626.db2.gz VFEHMOLWVONMPX-UHFFFAOYSA-N 1 1 411.671 2.038 50 0 HEAAMO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000016694633 569070726 /nfs/dbraw/zinc/07/07/26/569070726.db2.gz GGMIAVRJOUKHHI-HXUWFJFHSA-N 1 1 401.532 2.002 50 0 HEAAMO Cn1c2c(C(=O)Nc3cccnc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836062 569104525 /nfs/dbraw/zinc/10/45/25/569104525.db2.gz OQYXCKGQNCBOMV-UHFFFAOYSA-N 1 1 414.469 2.239 50 0 HEAAMO CCn1c2c(C(=O)NC(C)C)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967764 569137594 /nfs/dbraw/zinc/13/75/94/569137594.db2.gz BJXXQNBTMCVAEM-UHFFFAOYSA-N 1 1 423.517 2.221 50 0 HEAAMO CCn1c2c(C(=O)NC(C)C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967764 569137595 /nfs/dbraw/zinc/13/75/95/569137595.db2.gz BJXXQNBTMCVAEM-UHFFFAOYSA-N 1 1 423.517 2.221 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000036390291 569165477 /nfs/dbraw/zinc/16/54/77/569165477.db2.gz QHLWJFWZGGGMRU-WOJBJXKFSA-N 1 1 405.564 2.139 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1 ZINC000065251153 569206476 /nfs/dbraw/zinc/20/64/76/569206476.db2.gz LAFIYNHLYVTHIH-UHFFFAOYSA-N 1 1 409.494 2.393 50 0 HEAAMO Cc1cc(NC(=O)CSCC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)no1 ZINC000036664464 569217333 /nfs/dbraw/zinc/21/73/33/569217333.db2.gz QJQUDJNSQXDQHU-UHFFFAOYSA-N 1 1 402.520 2.389 50 0 HEAAMO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC(Cc3ccccc3)CC1)C2=O ZINC000007341704 569234656 /nfs/dbraw/zinc/23/46/56/569234656.db2.gz YATLZMSPRSGXSG-UHFFFAOYSA-N 1 1 412.534 2.473 50 0 HEAAMO O=C(Cc1cccc(N2CCOCC2)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000170607867 569244611 /nfs/dbraw/zinc/24/46/11/569244611.db2.gz BKEJDZLBHBLYOT-UHFFFAOYSA-N 1 1 409.530 2.214 50 0 HEAAMO COc1ccc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1O ZINC000253408755 569366475 /nfs/dbraw/zinc/36/64/75/569366475.db2.gz LARFLFPVWIHJEQ-OAHLLOKOSA-N 1 1 402.447 2.053 50 0 biogenic HEAAMO O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1cccs1 ZINC000013371949 569413031 /nfs/dbraw/zinc/41/30/31/569413031.db2.gz UKMGVTDLLZMHEJ-HOTGVXAUSA-N 1 1 419.977 2.173 50 0 HEAAMO CCn1c(C[N@@H+]2C[C@@H]3CCC[C@@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000079051892 569425569 /nfs/dbraw/zinc/42/55/69/569425569.db2.gz KRKLXDSQEKLMJO-YJBOKZPZSA-N 1 1 404.536 2.061 50 0 HEAAMO CCn1c(C[N@H+]2C[C@@H]3CCC[C@@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000079051892 569425570 /nfs/dbraw/zinc/42/55/70/569425570.db2.gz KRKLXDSQEKLMJO-YJBOKZPZSA-N 1 1 404.536 2.061 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)ccn1 ZINC000040108357 571168028 /nfs/dbraw/zinc/16/80/28/571168028.db2.gz HCNFRBBNMNBGPI-FQEVSTJZSA-N 1 1 403.486 2.283 50 0 HEAAMO C[NH+]1CCN([C@H](CNC(=O)Nc2ccc(-n3cccn3)nc2)c2cccs2)CC1 ZINC000040120981 571176931 /nfs/dbraw/zinc/17/69/31/571176931.db2.gz FFOUGZYFHANSLT-QGZVFWFLSA-N 1 1 411.535 2.439 50 0 HEAAMO C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245265314 571221539 /nfs/dbraw/zinc/22/15/39/571221539.db2.gz FWHDRWBJYMHNFX-CTNGQTDRSA-N 1 1 409.530 2.491 50 0 HEAAMO C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245265314 571221542 /nfs/dbraw/zinc/22/15/42/571221542.db2.gz FWHDRWBJYMHNFX-CTNGQTDRSA-N 1 1 409.530 2.491 50 0 HEAAMO COc1ccc(C(=O)N2CCC3(C[C@@H](CN4CCOCC4)[N@@H+](C)C3)CC2)cc1F ZINC000581802333 1078771541 /nfs/dbraw/zinc/77/15/41/1078771541.db2.gz FJAKMJMMNSTOCW-SFHVURJKSA-N 1 1 405.514 2.093 50 0 HEAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012601259 132364967 /nfs/dbraw/zinc/36/49/67/132364967.db2.gz GNFBVEOJSSKTPM-KRWDZBQOSA-N 1 1 412.534 2.475 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)CC1 ZINC000040356077 521670989 /nfs/dbraw/zinc/67/09/89/521670989.db2.gz DGHRLDFIRJMKMQ-UHFFFAOYSA-N 1 1 404.492 2.190 50 0 HEAAMO Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045966922 526071419 /nfs/dbraw/zinc/07/14/19/526071419.db2.gz GTWIUQDSEQUWJM-FQEVSTJZSA-N 1 1 400.567 2.134 50 0 HEAAMO Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045966922 526071428 /nfs/dbraw/zinc/07/14/28/526071428.db2.gz GTWIUQDSEQUWJM-FQEVSTJZSA-N 1 1 400.567 2.134 50 0 HEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727026 526985388 /nfs/dbraw/zinc/98/53/88/526985388.db2.gz VMBKIMCBAZTGFJ-MHORFTMASA-N 1 1 411.820 2.480 50 0 HEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727026 526985393 /nfs/dbraw/zinc/98/53/93/526985393.db2.gz VMBKIMCBAZTGFJ-MHORFTMASA-N 1 1 411.820 2.480 50 0 HEAAMO Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000002861388 557410314 /nfs/dbraw/zinc/41/03/14/557410314.db2.gz QSLNASJTFXHUJG-UHFFFAOYSA-N 1 1 401.532 2.170 50 0 HEAAMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCC(=O)NCc1ccccc1 ZINC000005060205 557632347 /nfs/dbraw/zinc/63/23/47/557632347.db2.gz WTNJAIQUUFKKPE-UHFFFAOYSA-N 1 1 413.543 2.313 50 0 HEAAMO COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000019744329 558264703 /nfs/dbraw/zinc/26/47/03/558264703.db2.gz UKBZDDJXMUEPMS-QFIPXVFZSA-N 1 1 413.562 2.281 50 0 HEAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cccc(C)c2)cc1 ZINC000019800350 558285296 /nfs/dbraw/zinc/28/52/96/558285296.db2.gz IKOKYBWMFZQZKY-UHFFFAOYSA-N 1 1 401.532 2.273 50 0 HEAAMO COC(=O)c1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000019840046 558293667 /nfs/dbraw/zinc/29/36/67/558293667.db2.gz LSKDLPFFGQNYGZ-IBGZPJMESA-N 1 1 413.522 2.346 50 0 HEAAMO CN(CCC1CCOCC1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000011953454 558303393 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/nfs/dbraw/zinc/57/09/57/558570957.db2.gz YZHRCFDKHBXDAT-UHFFFAOYSA-N 1 1 403.486 2.219 50 0 HEAAMO COc1ccc(C[N@H+](Cc2cccs2)C[C@@H](O)CN2CCOCC2)cc1OC ZINC000023763667 558575230 /nfs/dbraw/zinc/57/52/30/558575230.db2.gz VFURRMWBZJXWIJ-SFHVURJKSA-N 1 1 406.548 2.461 50 0 HEAAMO COc1ccc(F)c(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1 ZINC000014883601 558676910 /nfs/dbraw/zinc/67/69/10/558676910.db2.gz NHWSUVNNZQQGRL-UHFFFAOYSA-N 1 1 413.453 2.050 50 0 HEAAMO COc1ccc(F)c(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1 ZINC000014883601 558676913 /nfs/dbraw/zinc/67/69/13/558676913.db2.gz NHWSUVNNZQQGRL-UHFFFAOYSA-N 1 1 413.453 2.050 50 0 HEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 ZINC000014887409 558677801 /nfs/dbraw/zinc/67/78/01/558677801.db2.gz SSOHMWBFLAGTGG-UHFFFAOYSA-N 1 1 423.492 2.457 50 0 HEAAMO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc[n+]([O-])c1 ZINC000014979068 558690509 /nfs/dbraw/zinc/69/05/09/558690509.db2.gz ZKBSXAUIHZVENA-IBGZPJMESA-N 1 1 414.525 2.375 50 0 HEAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)o1 ZINC000015001546 558697960 /nfs/dbraw/zinc/69/79/60/558697960.db2.gz ZPFALSXNKUKEAE-UHFFFAOYSA-N 1 1 423.517 2.230 50 0 HEAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[C@@H]1CCCO1 ZINC000015005029 558698843 /nfs/dbraw/zinc/69/88/43/558698843.db2.gz DGULDBMFVGWIMB-QFIPXVFZSA-N 1 1 424.545 2.468 50 0 HEAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccn3)C2)cc1 ZINC000015074122 558714757 /nfs/dbraw/zinc/71/47/57/558714757.db2.gz BEQODJHEOAPXKB-FQEVSTJZSA-N 1 1 416.547 2.368 50 0 HEAAMO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)C(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000072284307 558715772 /nfs/dbraw/zinc/71/57/72/558715772.db2.gz UVCAPFWPOGKVKN-WMLDXEAASA-N 1 1 415.456 2.452 50 0 HEAAMO COc1cccc(C[N@@H+](C)CCC2CCOCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000039353963 558820245 /nfs/dbraw/zinc/82/02/45/558820245.db2.gz XYTLGQKJYINABY-OAQYLSRUSA-N 1 1 422.566 2.016 50 0 HEAAMO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]CCc1nnc(-c2cccnc2)[nH]1 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O=C(CC(F)(F)F)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082097936 559037713 /nfs/dbraw/zinc/03/77/13/559037713.db2.gz XCCPAXATDYYEQS-MRXNPFEDSA-N 1 1 412.456 2.353 50 0 HEAAMO O=C(NCC1(CO)CCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082098002 559037801 /nfs/dbraw/zinc/03/78/01/559037801.db2.gz IIFURDAFTCZTRX-NRFANRHFSA-N 1 1 414.594 2.427 50 0 HEAAMO Cc1ncc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082121532 559039560 /nfs/dbraw/zinc/03/95/60/559039560.db2.gz SPUXPBCSKGHPGZ-FQEVSTJZSA-N 1 1 408.550 2.173 50 0 HEAAMO Cc1nc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)no1 ZINC000082136790 559040356 /nfs/dbraw/zinc/04/03/56/559040356.db2.gz FJXRJQLYLCTTLS-HXUWFJFHSA-N 1 1 411.550 2.413 50 0 HEAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000082147156 559040847 /nfs/dbraw/zinc/04/08/47/559040847.db2.gz GAJJFJGAWYPAOE-LJQANCHMSA-N 1 1 413.566 2.480 50 0 HEAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000082156486 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ZINC000097272329 568771408 /nfs/dbraw/zinc/77/14/08/568771408.db2.gz AHZKKWXSIKTQGU-HKWRFOASSA-N 1 1 403.548 2.174 50 0 HEAAMO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000097272329 568771411 /nfs/dbraw/zinc/77/14/11/568771411.db2.gz AHZKKWXSIKTQGU-HKWRFOASSA-N 1 1 403.548 2.174 50 0 HEAAMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000097272329 568771414 /nfs/dbraw/zinc/77/14/14/568771414.db2.gz AHZKKWXSIKTQGU-HKWRFOASSA-N 1 1 403.548 2.174 50 0 HEAAMO COC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1cccs1 ZINC000057415900 568833947 /nfs/dbraw/zinc/83/39/47/568833947.db2.gz OQBXNSNJVMQZQE-IBGZPJMESA-N 1 1 418.563 2.479 50 0 HEAAMO Cc1cc(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)[nH]n1 ZINC000299761550 568873409 /nfs/dbraw/zinc/87/34/09/568873409.db2.gz VHVJPTJMRKMXSW-FQEVSTJZSA-N 1 1 402.470 2.128 50 0 HEAAMO COc1ncccc1C(=O)N1CCOc2ccc(C[N@H+]3CCCC[C@H]3CO)cc2C1 ZINC000299765961 568873775 /nfs/dbraw/zinc/87/37/75/568873775.db2.gz 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400.523 2.018 50 0 HEAAMO COc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000084290881 568945625 /nfs/dbraw/zinc/94/56/25/568945625.db2.gz QVEKLPQLWPRMIA-UHFFFAOYSA-N 1 1 422.551 2.150 50 0 HEAAMO Cc1[nH]c2c(c1C(=O)N[C@H]1C3CN4CC1(c1ccccc1)C[N@H+](C3)CC4)C(=O)CCC2 ZINC000670465055 568968157 /nfs/dbraw/zinc/96/81/57/568968157.db2.gz MQOIPHSSEIQOCR-PIACDSSLSA-N 1 1 418.541 2.140 50 0 HEAAMO Cc1[nH]c2c(c1C(=O)N[C@H]1C3CN4CC1(c1ccccc1)C[N@@H+](C3)CC4)C(=O)CCC2 ZINC000670465055 568968161 /nfs/dbraw/zinc/96/81/61/568968161.db2.gz MQOIPHSSEIQOCR-PIACDSSLSA-N 1 1 418.541 2.140 50 0 HEAAMO Cc1[nH]c2c(c1C(=O)N[C@@H]1C3CN4CC1(c1ccccc1)C[N@H+](C3)CC4)C(=O)CCC2 ZINC000670465053 568968177 /nfs/dbraw/zinc/96/81/77/568968177.db2.gz MQOIPHSSEIQOCR-AWBGBBLSSA-N 1 1 418.541 2.140 50 0 HEAAMO Cc1[nH]c2c(c1C(=O)N[C@@H]1C3CN4CC1(c1ccccc1)C[N@@H+](C3)CC4)C(=O)CCC2 ZINC000670465053 568968179 /nfs/dbraw/zinc/96/81/79/568968179.db2.gz MQOIPHSSEIQOCR-AWBGBBLSSA-N 1 1 418.541 2.140 50 0 HEAAMO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)c[nH]1 ZINC000015731740 568981736 /nfs/dbraw/zinc/98/17/36/568981736.db2.gz QIMQCAQWWMDPSO-MRXNPFEDSA-N 1 1 417.531 2.260 50 0 HEAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccco1 ZINC000008313488 568989473 /nfs/dbraw/zinc/98/94/73/568989473.db2.gz GCWWKVSQZMTHNP-SFHVURJKSA-N 1 1 417.487 2.384 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000012421772 568991170 /nfs/dbraw/zinc/99/11/70/568991170.db2.gz OWMDPSGCSJAQMJ-INIZCTEOSA-N 1 1 409.552 2.084 50 0 HEAAMO COc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)[nH+]c(C)n2)c(C)c1C ZINC000038488309 568997620 /nfs/dbraw/zinc/99/76/20/568997620.db2.gz ZRSKAXDMMAVMKF-UHFFFAOYSA-N 1 1 419.551 2.401 50 0 HEAAMO CCCC[N@@H+](CC)CCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000015777357 569000302 /nfs/dbraw/zinc/00/03/02/569000302.db2.gz WNEUILWUJSYCFQ-UHFFFAOYSA-N 1 1 422.599 2.120 50 0 HEAAMO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccccc2)cc1 ZINC000019820946 569007993 /nfs/dbraw/zinc/00/79/93/569007993.db2.gz ZZGZSYVKEQSBND-PMACEKPBSA-N 1 1 407.557 2.021 50 0 HEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000583652904 569009312 /nfs/dbraw/zinc/00/93/12/569009312.db2.gz SKWVAMXOLBQJSB-SFTDATJTSA-N 1 1 415.582 2.433 50 0 HEAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000228968489 569040354 /nfs/dbraw/zinc/04/03/54/569040354.db2.gz KYGDFRZXJUQQBF-XMSQKQJNSA-N 1 1 413.562 2.313 50 0 HEAAMO CCCC[NH+]1CCN(C(=O)c2nc3csc(C)c3c(N3CCOCC3)n2)CC1 ZINC000065283324 569216553 /nfs/dbraw/zinc/21/65/53/569216553.db2.gz LIMKCOLALBTNIT-UHFFFAOYSA-N 1 1 403.552 2.394 50 0 HEAAMO O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017179091 569276323 /nfs/dbraw/zinc/27/63/23/569276323.db2.gz GSQQHDGPNZIURK-QGZVFWFLSA-N 1 1 410.543 2.113 50 0 HEAAMO COC(=O)[C@]1(C)CCN(c2cc(C)nc([C@H](C)[N@@H+]3CC[C@](C)(C(=O)OC)C3)n2)C1 ZINC000252477214 569288375 /nfs/dbraw/zinc/28/83/75/569288375.db2.gz KCUYWGSOUPXUCI-ONGXBYRLSA-N 1 1 404.511 2.120 50 0 HEAAMO COC(=O)[C@]1(C)CCN(c2cc(C)nc([C@H](C)[N@H+]3CC[C@](C)(C(=O)OC)C3)n2)C1 ZINC000252477214 569288377 /nfs/dbraw/zinc/28/83/77/569288377.db2.gz KCUYWGSOUPXUCI-ONGXBYRLSA-N 1 1 404.511 2.120 50 0 HEAAMO Cn1cc(CCC(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cn1 ZINC000055070015 569385246 /nfs/dbraw/zinc/38/52/46/569385246.db2.gz CXPVIIXMYHRNHD-UHFFFAOYSA-N 1 1 414.535 2.241 50 0 HEAAMO CO[C@H](C)c1noc(CN2CCC[N@@H+](CCC(=O)N3CCc4ccccc43)CC2)n1 ZINC000079022046 569424404 /nfs/dbraw/zinc/42/44/04/569424404.db2.gz SZMLVISSRVZBKE-QGZVFWFLSA-N 1 1 413.522 2.264 50 0 HEAAMO COC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000067286648 571064591 /nfs/dbraw/zinc/06/45/91/571064591.db2.gz MNYMROQJRQLXOL-NRFANRHFSA-N 1 1 412.534 2.418 50 0 HEAAMO CCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000008725144 571108002 /nfs/dbraw/zinc/10/80/02/571108002.db2.gz FHGQQMYGTCGNHP-UHFFFAOYSA-N 1 1 400.870 2.204 50 0 HEAAMO C[NH+](C)CCNC(=O)Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21 ZINC000008865800 571129264 /nfs/dbraw/zinc/12/92/64/571129264.db2.gz UKQAQZTYLORWJU-UHFFFAOYSA-N 1 1 403.479 2.291 50 0 HEAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cccnc2-n2cncn2)C[C@H](C)O1 ZINC000040121458 571177514 /nfs/dbraw/zinc/17/75/14/571177514.db2.gz KNTCIARHNNBTRX-CALCHBBNSA-N 1 1 406.490 2.202 50 0 HEAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cccnc2-n2cncn2)C[C@H](C)O1 ZINC000040121458 571177515 /nfs/dbraw/zinc/17/75/15/571177515.db2.gz KNTCIARHNNBTRX-CALCHBBNSA-N 1 1 406.490 2.202 50 0 HEAAMO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245265315 571221662 /nfs/dbraw/zinc/22/16/62/571221662.db2.gz FWHDRWBJYMHNFX-FPOVZHCZSA-N 1 1 409.530 2.491 50 0 HEAAMO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245265315 571221666 /nfs/dbraw/zinc/22/16/66/571221666.db2.gz FWHDRWBJYMHNFX-FPOVZHCZSA-N 1 1 409.530 2.491 50 0 HEAAMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000010413566 571302212 /nfs/dbraw/zinc/30/22/12/571302212.db2.gz XWTWARYHYRUIPO-UHFFFAOYSA-N 1 1 418.519 2.082 50 0 HEAAMO O=C(Cn1cc(Br)ccc1=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000071874982 571303998 /nfs/dbraw/zinc/30/39/98/571303998.db2.gz AEJFZQFQIRQVED-UHFFFAOYSA-N 1 1 422.298 2.484 50 0 HEAAMO O=C(Cn1cc(Br)ccc1=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000071874982 571304000 /nfs/dbraw/zinc/30/40/00/571304000.db2.gz AEJFZQFQIRQVED-UHFFFAOYSA-N 1 1 422.298 2.484 50 0 HEAAMO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000077196849 571312383 /nfs/dbraw/zinc/31/23/83/571312383.db2.gz ARYGMLBBRICPMQ-UHFFFAOYSA-N 1 1 402.442 2.299 50 0 HEAAMO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[N@@H+](CCn2cccn2)CC1 ZINC000077196849 571312385 /nfs/dbraw/zinc/31/23/85/571312385.db2.gz ARYGMLBBRICPMQ-UHFFFAOYSA-N 1 1 402.442 2.299 50 0 HEAAMO CNC(=O)c1ccc(NC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000078535152 571313426 /nfs/dbraw/zinc/31/34/26/571313426.db2.gz IZZJQFSIGPPCBF-UHFFFAOYSA-N 1 1 419.526 2.111 50 0 HEAAMO Cc1nc2nc3c(c(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)n2n1)CCCC3 ZINC000035508841 571316886 /nfs/dbraw/zinc/31/68/86/571316886.db2.gz FQDHWMZHPBALJI-UHFFFAOYSA-N 1 1 406.490 2.362 50 0 HEAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008159845 132328049 /nfs/dbraw/zinc/32/80/49/132328049.db2.gz LKGDHHXTSLSYGI-HNNXBMFYSA-N 1 1 409.490 2.152 50 0 HEAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008159845 132328051 /nfs/dbraw/zinc/32/80/51/132328051.db2.gz LKGDHHXTSLSYGI-HNNXBMFYSA-N 1 1 409.490 2.152 50 0 HEAAMO C[N@H+](CC(=O)N1CCN(c2ccc(O)cc2)CC1)Cc1ccccc1N1CCOCC1 ZINC000008189750 132328495 /nfs/dbraw/zinc/32/84/95/132328495.db2.gz HYQYMLXKOOFMNJ-UHFFFAOYSA-N 1 1 424.545 2.009 50 0 HEAAMO C[N@@H+](CC(=O)N1CCN(c2ccc(O)cc2)CC1)Cc1ccccc1N1CCOCC1 ZINC000008189750 132328497 /nfs/dbraw/zinc/32/84/97/132328497.db2.gz HYQYMLXKOOFMNJ-UHFFFAOYSA-N 1 1 424.545 2.009 50 0 HEAAMO CCOC(=O)C1C(C[NH+]2CCC3(CC2)OCCO3)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560264 520510439 /nfs/dbraw/zinc/51/04/39/520510439.db2.gz PWNYMBNXZUOWBN-IBGZPJMESA-N 1 1 415.490 2.005 50 0 HEAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000032843135 522178098 /nfs/dbraw/zinc/17/80/98/522178098.db2.gz WRNATTFOYCJVFZ-ZWKOTPCHSA-N 1 1 401.459 2.409 50 0 HEAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000032843135 522178107 /nfs/dbraw/zinc/17/81/07/522178107.db2.gz WRNATTFOYCJVFZ-ZWKOTPCHSA-N 1 1 401.459 2.409 50 0 HEAAMO COc1ccc(C[NH+]2CCN(c3ccc(S(=O)(=O)NC(C)C)cn3)CC2)cc1 ZINC000032869650 524033834 /nfs/dbraw/zinc/03/38/34/524033834.db2.gz UWHCJKYYCBWMEJ-UHFFFAOYSA-N 1 1 404.536 2.099 50 0 HEAAMO O=C(c1cscn1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020351141 526910522 /nfs/dbraw/zinc/91/05/22/526910522.db2.gz BKSJGYRNGJCXFF-KRWDZBQOSA-N 1 1 414.531 2.294 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)c1nc(Cc2ccccc2)n(-c2ccccc2)n1 ZINC000034911088 557476086 /nfs/dbraw/zinc/47/60/86/557476086.db2.gz AWBSHCZNDCZKPL-UHFFFAOYSA-N 1 1 405.502 2.310 50 0 HEAAMO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCC([N@H+]2CCC[C@@H](C)C2)CC1 ZINC000022640031 557490213 /nfs/dbraw/zinc/49/02/13/557490213.db2.gz FMZMNTFAXSBHDB-OAHLLOKOSA-N 1 1 400.527 2.239 50 0 HEAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000007991421 557769457 /nfs/dbraw/zinc/76/94/57/557769457.db2.gz BYIHSXYESMVLOR-XLIONFOSSA-N 1 1 413.518 2.442 50 0 HEAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000007991421 557769459 /nfs/dbraw/zinc/76/94/59/557769459.db2.gz BYIHSXYESMVLOR-XLIONFOSSA-N 1 1 413.518 2.442 50 0 HEAAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000011786386 558276176 /nfs/dbraw/zinc/27/61/76/558276176.db2.gz JQEFRKPKLFVHSH-INIZCTEOSA-N 1 1 408.506 2.098 50 0 HEAAMO O=C(C=Cc1ccc(Br)cc1)NC(=S)NCCC[NH+]1CCOCC1 ZINC000019770333 558279287 /nfs/dbraw/zinc/27/92/87/558279287.db2.gz XCUSVQZIZSPJNA-QPJJXVBHSA-N 1 1 412.353 2.175 50 0 HEAAMO CCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000011818820 558282244 /nfs/dbraw/zinc/28/22/44/558282244.db2.gz LVQJBHAJUVXUJL-HXUWFJFHSA-N 1 1 405.502 2.063 50 0 HEAAMO CCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000011818820 558282248 /nfs/dbraw/zinc/28/22/48/558282248.db2.gz LVQJBHAJUVXUJL-HXUWFJFHSA-N 1 1 405.502 2.063 50 0 HEAAMO C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000011872317 558290385 /nfs/dbraw/zinc/29/03/85/558290385.db2.gz QMRLKRRPUAORKB-OAHLLOKOSA-N 1 1 401.486 2.079 50 0 HEAAMO Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CC[NH+]1CCOCC1 ZINC000019891456 558303226 /nfs/dbraw/zinc/30/32/26/558303226.db2.gz JGHIZXQPJIBIMS-UHFFFAOYSA-N 1 1 420.473 2.022 50 0 HEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1OC ZINC000012035507 558311907 /nfs/dbraw/zinc/31/19/07/558311907.db2.gz ZQFZLYWJMULULG-OAHLLOKOSA-N 1 1 401.511 2.187 50 0 HEAAMO CCC(CC)C[N@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1cccs1 ZINC000012037889 558312402 /nfs/dbraw/zinc/31/24/02/558312402.db2.gz IFYCNGQGYRXTAT-QAPCUYQASA-N 1 1 419.551 2.494 50 0 HEAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1 ZINC000012073232 558318265 /nfs/dbraw/zinc/31/82/65/558318265.db2.gz QTNFNECRELNVKX-QFIPXVFZSA-N 1 1 403.498 2.271 50 0 HEAAMO O=CN1CCCN(Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000012298975 558369000 /nfs/dbraw/zinc/36/90/00/558369000.db2.gz LHOMYMMZGHNFPQ-XMMPIXPASA-N 1 1 423.557 2.149 50 0 HEAAMO O=CN1CCCN(Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000012298975 558369003 /nfs/dbraw/zinc/36/90/03/558369003.db2.gz LHOMYMMZGHNFPQ-XMMPIXPASA-N 1 1 423.557 2.149 50 0 HEAAMO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCCOC(C)C)cc2)CC1 ZINC000012430729 558405298 /nfs/dbraw/zinc/40/52/98/558405298.db2.gz FRDTYKNEABEXIX-OAQYLSRUSA-N 1 1 422.566 2.216 50 0 HEAAMO COc1cc(C)c(C[N@@H+]2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1C ZINC000020783283 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O=C1C[C@@H]([NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)C(=O)N1c1ccccc1 ZINC000004477320 558598143 /nfs/dbraw/zinc/59/81/43/558598143.db2.gz SWKSABFBQXPQPK-MRXNPFEDSA-N 1 1 408.487 2.371 50 0 HEAAMO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)COc3ccccc3C(C)C)CC2)no1 ZINC000024747705 558609685 /nfs/dbraw/zinc/60/96/85/558609685.db2.gz GARFVTQMGCJEFK-SFHVURJKSA-N 1 1 416.522 2.102 50 0 HEAAMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1Cl ZINC000024988923 558625740 /nfs/dbraw/zinc/62/57/40/558625740.db2.gz UTLIEEHSQOWLRH-CQSZACIVSA-N 1 1 409.914 2.246 50 0 HEAAMO CN1C(=O)CO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1F ZINC000072241535 558639573 /nfs/dbraw/zinc/63/95/73/558639573.db2.gz QYMAVTHQKWVFJF-YADHBBJMSA-N 1 1 411.477 2.068 50 0 HEAAMO CN1C(=O)CO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1F ZINC000072241534 558639607 /nfs/dbraw/zinc/63/96/07/558639607.db2.gz QYMAVTHQKWVFJF-FCHUYYIVSA-N 1 1 411.477 2.068 50 0 HEAAMO COc1ccc2cc(CNC(=O)NC[C@H]([C@H]3CCOC3)[NH+]3CCOCC3)ccc2c1 ZINC000026308081 558659032 /nfs/dbraw/zinc/65/90/32/558659032.db2.gz WOGZUUHKUHKUNQ-RBBKRZOGSA-N 1 1 413.518 2.385 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3ccccc3C(=O)OC)CC2)CC1 ZINC000014973192 558688155 /nfs/dbraw/zinc/68/81/55/558688155.db2.gz LMAKIWZITFXQMO-UHFFFAOYSA-N 1 1 415.534 2.270 50 0 HEAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CN1C(=O)CSC1=O ZINC000014974826 558688762 /nfs/dbraw/zinc/68/87/62/558688762.db2.gz VTSBVAYCHVXUKT-HNNXBMFYSA-N 1 1 407.511 2.234 50 0 HEAAMO COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000015073856 558714547 /nfs/dbraw/zinc/71/45/47/558714547.db2.gz DSRCLEFYJMJEDT-GOSISDBHSA-N 1 1 417.550 2.117 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000015077663 558717300 /nfs/dbraw/zinc/71/73/00/558717300.db2.gz MNIJDDNFRLHJDX-KRWDZBQOSA-N 1 1 401.555 2.131 50 0 HEAAMO Cc1ccc(NCCCNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)[nH+]c1 ZINC000072290020 558724705 /nfs/dbraw/zinc/72/47/05/558724705.db2.gz KAWRIUYGZDYETJ-UHFFFAOYSA-N 1 1 402.520 2.371 50 0 HEAAMO COC(=O)C1C(C[N@@H+]2CCC[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087027 558772801 /nfs/dbraw/zinc/77/28/01/558772801.db2.gz KSWFRTPPWGGEKZ-DJJJIMSYSA-N 1 1 403.479 2.217 50 0 HEAAMO COC(=O)C1C(C[N@H+]2CCC[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087027 558772802 /nfs/dbraw/zinc/77/28/02/558772802.db2.gz KSWFRTPPWGGEKZ-DJJJIMSYSA-N 1 1 403.479 2.217 50 0 HEAAMO COC(=O)C1=C(C[N@@H+]2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087027 558772807 /nfs/dbraw/zinc/77/28/07/558772807.db2.gz KSWFRTPPWGGEKZ-DJJJIMSYSA-N 1 1 403.479 2.217 50 0 HEAAMO COC(=O)C1=C(C[N@H+]2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087027 558772810 /nfs/dbraw/zinc/77/28/10/558772810.db2.gz KSWFRTPPWGGEKZ-DJJJIMSYSA-N 1 1 403.479 2.217 50 0 HEAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000034118521 558773055 /nfs/dbraw/zinc/77/30/55/558773055.db2.gz BYIHSXYESMVLOR-PXNSSMCTSA-N 1 1 413.518 2.442 50 0 HEAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000034118521 558773057 /nfs/dbraw/zinc/77/30/57/558773057.db2.gz BYIHSXYESMVLOR-PXNSSMCTSA-N 1 1 413.518 2.442 50 0 HEAAMO O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000032987916 558807803 /nfs/dbraw/zinc/80/78/03/558807803.db2.gz WVHCVSZRPIYTQO-XZOQPEGZSA-N 1 1 421.541 2.351 50 0 HEAAMO Cc1nc2n(c(=O)c1C)CN(CCC[NH+]1CCOCC1)CN2c1ccc(F)cc1 ZINC000038829921 558816381 /nfs/dbraw/zinc/81/63/81/558816381.db2.gz DLAAKOHXJYLKNL-UHFFFAOYSA-N 1 1 401.486 2.090 50 0 HEAAMO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@@H+](C)Cc3ccccc3-n3cccn3)C2)cc1 ZINC000039461384 558821449 /nfs/dbraw/zinc/82/14/49/558821449.db2.gz SEXKLQDFNKJPNX-VXKWHMMOSA-N 1 1 406.486 2.198 50 0 HEAAMO Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000097938338 558824880 /nfs/dbraw/zinc/82/48/80/558824880.db2.gz YGYGVJCIUNFJQD-KRWDZBQOSA-N 1 1 410.518 2.400 50 0 HEAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1cc(COc2cccc3cccnc32)on1 ZINC000019143967 558846452 /nfs/dbraw/zinc/84/64/52/558846452.db2.gz OMCHPBWKWQMRDQ-KRWDZBQOSA-N 1 1 410.474 2.378 50 0 HEAAMO CCNC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000097954306 558865651 /nfs/dbraw/zinc/86/56/51/558865651.db2.gz CLDBVJKTTFZGSO-DLBZAZTESA-N 1 1 412.456 2.224 50 0 HEAAMO C[NH+]1CCC(N2CCC(Oc3cccc(C(=O)NCc4ccncn4)c3)CC2)CC1 ZINC000019300908 558866546 /nfs/dbraw/zinc/86/65/46/558866546.db2.gz OBFYFNUZSFMNID-UHFFFAOYSA-N 1 1 409.534 2.344 50 0 HEAAMO CC(C)OCCC[N@@H+](C)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000033077165 558868447 /nfs/dbraw/zinc/86/84/47/558868447.db2.gz FHUJSGDOJUHHIY-UHFFFAOYSA-N 1 1 421.563 2.428 50 0 HEAAMO Cc1c(C(=O)NCC[NH+]2CCCCCC2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048282 558885052 /nfs/dbraw/zinc/88/50/52/558885052.db2.gz BFEBGWDCTDTDAZ-UHFFFAOYSA-N 1 1 416.595 2.357 50 0 HEAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000019527843 558909118 /nfs/dbraw/zinc/90/91/18/558909118.db2.gz GFYYOFZBVLTHMD-UHFFFAOYSA-N 1 1 417.531 2.409 50 0 HEAAMO COc1cccc([C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c2nccn2C)c1 ZINC000059291609 558933551 /nfs/dbraw/zinc/93/35/51/558933551.db2.gz ZRPRQGJSHJZLTK-PMACEKPBSA-N 1 1 413.522 2.024 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc4ccc(C(F)(F)F)cn43)C2)CC1 ZINC000065313010 558946011 /nfs/dbraw/zinc/94/60/11/558946011.db2.gz KDOMPVFNHXPEPB-CQSZACIVSA-N 1 1 410.444 2.129 50 0 HEAAMO Cc1nc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)cc(N2CCOCC2)[nH+]1 ZINC000065363390 558974380 /nfs/dbraw/zinc/97/43/80/558974380.db2.gz VKTSSCNMZBRNOB-UHFFFAOYSA-N 1 1 414.485 2.423 50 0 HEAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000065363635 558974794 /nfs/dbraw/zinc/97/47/94/558974794.db2.gz PNXXXAKOXTUVJA-UHFFFAOYSA-N 1 1 401.536 2.037 50 0 HEAAMO Cc1nc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc(N2CCOCC2)[nH+]1 ZINC000065364009 558975157 /nfs/dbraw/zinc/97/51/57/558975157.db2.gz ZTPCWZKUGQMGCJ-UHFFFAOYSA-N 1 1 409.412 2.482 50 0 HEAAMO Cc1cccc(S(=O)(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000072442127 558982228 /nfs/dbraw/zinc/98/22/28/558982228.db2.gz AQGIBOBEONIRNN-UHFFFAOYSA-N 1 1 401.536 2.286 50 0 HEAAMO Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000067601796 558987464 /nfs/dbraw/zinc/98/74/64/558987464.db2.gz VYHHHCAUMDZUQE-UHFFFAOYSA-N 1 1 418.910 2.135 50 0 HEAAMO Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000067604108 558988398 /nfs/dbraw/zinc/98/83/98/558988398.db2.gz YRMSKKKUEHFNTN-UHFFFAOYSA-N 1 1 418.910 2.135 50 0 HEAAMO C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067641261 558990621 /nfs/dbraw/zinc/99/06/21/558990621.db2.gz MSIJTJLXZZUJKE-KRWDZBQOSA-N 1 1 410.518 2.432 50 0 HEAAMO CCn1cc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082097036 559037510 /nfs/dbraw/zinc/03/75/10/559037510.db2.gz JIPPRPZVBAXZSG-HXUWFJFHSA-N 1 1 410.566 2.291 50 0 HEAAMO Cc1c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cnn1C 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C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000019589706 560874407 /nfs/dbraw/zinc/87/44/07/560874407.db2.gz UZLXZAJPZSQMKB-UHFFFAOYSA-N 1 1 420.362 2.168 50 0 HEAAMO CS[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000107064364 560895154 /nfs/dbraw/zinc/89/51/54/560895154.db2.gz ANJNLPORIAPWFC-FUHWJXTLSA-N 1 1 414.593 2.302 50 0 HEAAMO COc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000046140787 568430163 /nfs/dbraw/zinc/43/01/63/568430163.db2.gz UAFYIWKQKJPVTA-UHFFFAOYSA-N 1 1 423.579 2.095 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000048217850 568432489 /nfs/dbraw/zinc/43/24/89/568432489.db2.gz NRRGPEAICGHGIS-AWEZNQCLSA-N 1 1 416.335 2.499 50 0 HEAAMO COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000019927785 568585693 /nfs/dbraw/zinc/58/56/93/568585693.db2.gz CXHYJSPLWIYVLL-SSZFMOIBSA-N 1 1 415.515 2.310 50 0 HEAAMO CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000020116238 568589494 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409.534 2.230 50 0 HEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)C[C@@H](C)O1 ZINC000229926160 568715978 /nfs/dbraw/zinc/71/59/78/568715978.db2.gz SQZFARPLNGKJDY-HLIPFELVSA-N 1 1 407.530 2.203 50 0 HEAAMO NS(=O)(=O)c1ccc(OCC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000028171100 568781533 /nfs/dbraw/zinc/78/15/33/568781533.db2.gz YNLQHTYMQULLHT-UHFFFAOYSA-N 1 1 407.511 2.060 50 0 HEAAMO NS(=O)(=O)c1ccc(OCCN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000028171100 568781534 /nfs/dbraw/zinc/78/15/34/568781534.db2.gz YNLQHTYMQULLHT-UHFFFAOYSA-N 1 1 407.511 2.060 50 0 HEAAMO NS(=O)(=O)c1ccc(OCCN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000028171100 568781535 /nfs/dbraw/zinc/78/15/35/568781535.db2.gz YNLQHTYMQULLHT-UHFFFAOYSA-N 1 1 407.511 2.060 50 0 HEAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@H+](CC(C)C)CC2 ZINC000299761141 568873306 /nfs/dbraw/zinc/87/33/06/568873306.db2.gz SGJTWUUHRHCRIY-UHFFFAOYSA-N 1 1 404.536 2.100 50 0 HEAAMO COc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](CCC(=O)[O-])C2)c1OC ZINC000299782445 568875154 /nfs/dbraw/zinc/87/51/54/568875154.db2.gz WZDPRUHXYKLCCL-PKOBYXMFSA-N 1 1 405.539 2.007 50 0 HEAAMO COc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](CCC(=O)[O-])C2)c1OC ZINC000299782445 568875157 /nfs/dbraw/zinc/87/51/57/568875157.db2.gz WZDPRUHXYKLCCL-PKOBYXMFSA-N 1 1 405.539 2.007 50 0 HEAAMO CS(=O)(=O)c1ccc(C2(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)CCCCC2)cc1 ZINC000670439269 568882760 /nfs/dbraw/zinc/88/27/60/568882760.db2.gz PPEQLDZZSORWBK-LJQANCHMSA-N 1 1 422.591 2.255 50 0 HEAAMO COC(=O)c1cn(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc2c(=O)[nH]nc1-2 ZINC000263588435 568884099 /nfs/dbraw/zinc/88/40/99/568884099.db2.gz UEXIEOMHOSMYJL-UHFFFAOYSA-N 1 1 406.446 2.176 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2nn(-c3ccc(OC)cc3OC)c(=O)c3ccccc32)CC1 ZINC000058139650 568890643 /nfs/dbraw/zinc/89/06/43/568890643.db2.gz CYLKOMLQPMJVTK-UHFFFAOYSA-N 1 1 422.485 2.181 50 0 HEAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000031337346 568924314 /nfs/dbraw/zinc/92/43/14/568924314.db2.gz JYXZIRGTGIQVDO-UHFFFAOYSA-N 1 1 421.950 2.378 50 0 HEAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000031337346 568924317 /nfs/dbraw/zinc/92/43/17/568924317.db2.gz JYXZIRGTGIQVDO-UHFFFAOYSA-N 1 1 421.950 2.378 50 0 HEAAMO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012764906 568947996 /nfs/dbraw/zinc/94/79/96/568947996.db2.gz BTRVVHIBTNMHBK-INIZCTEOSA-N 1 1 411.911 2.029 50 0 HEAAMO COc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000012801382 568979069 /nfs/dbraw/zinc/97/90/69/568979069.db2.gz AYHIEMSFCHHRPR-QGZVFWFLSA-N 1 1 424.530 2.154 50 0 HEAAMO C[NH+]1CCN(C(=O)CCc2nnc3ccc(NCc4ccccc4Cl)nn32)CC1 ZINC000015776202 568999692 /nfs/dbraw/zinc/99/96/92/568999692.db2.gz QWIMKYZGJZTPPR-UHFFFAOYSA-N 1 1 413.913 2.096 50 0 HEAAMO COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)C[N@@H+]([C@H](C)CO)C2)c1 ZINC000104633717 569009100 /nfs/dbraw/zinc/00/91/00/569009100.db2.gz CGKGUINQIPPJTE-XXBNENTESA-N 1 1 412.530 2.348 50 0 HEAAMO COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)C[N@H+]([C@H](C)CO)C2)c1 ZINC000104633717 569009101 /nfs/dbraw/zinc/00/91/01/569009101.db2.gz CGKGUINQIPPJTE-XXBNENTESA-N 1 1 412.530 2.348 50 0 HEAAMO CN1c2ccc(S(=O)(=O)NCC[N@H+](C)Cc3ccccc3)cc2C(C)(C)C1=O ZINC000015822441 569010626 /nfs/dbraw/zinc/01/06/26/569010626.db2.gz ZWAUZJOIHVFJDY-UHFFFAOYSA-N 1 1 401.532 2.351 50 0 HEAAMO CN1c2ccc(S(=O)(=O)NCC[N@@H+](C)Cc3ccccc3)cc2C(C)(C)C1=O ZINC000015822441 569010627 /nfs/dbraw/zinc/01/06/27/569010627.db2.gz ZWAUZJOIHVFJDY-UHFFFAOYSA-N 1 1 401.532 2.351 50 0 HEAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015955028 569024575 /nfs/dbraw/zinc/02/45/75/569024575.db2.gz PUNALERCVYYUGC-CMCWBKRRSA-N 1 1 401.466 2.422 50 0 biogenic HEAAMO COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1 ZINC000017044051 569030482 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BHLLOBXLOWXZDQ-RTBURBONSA-N 1 1 417.458 2.196 50 0 HEAAMO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000240278357 569054593 /nfs/dbraw/zinc/05/45/93/569054593.db2.gz DQPUICHZYFTAJX-IRXDYDNUSA-N 1 1 406.324 2.499 50 0 HEAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000242273632 569055065 /nfs/dbraw/zinc/05/50/65/569055065.db2.gz YENCCWUXGFEIHT-OALUTQOASA-N 1 1 405.564 2.032 50 0 HEAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000245225959 569055178 /nfs/dbraw/zinc/05/51/78/569055178.db2.gz BOESPHYEONFFIN-RTXPOLOASA-N 1 1 421.428 2.266 50 0 HEAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000245225959 569055179 /nfs/dbraw/zinc/05/51/79/569055179.db2.gz BOESPHYEONFFIN-RTXPOLOASA-N 1 1 421.428 2.266 50 0 HEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247754187 569057527 /nfs/dbraw/zinc/05/75/27/569057527.db2.gz VMBKIMCBAZTGFJ-TVFCKZIOSA-N 1 1 411.820 2.480 50 0 HEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247754187 569057528 /nfs/dbraw/zinc/05/75/28/569057528.db2.gz VMBKIMCBAZTGFJ-TVFCKZIOSA-N 1 1 411.820 2.480 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCNc2c(-c3ccccc3OC)nc3cnccn32)CC1 ZINC000064759216 569090541 /nfs/dbraw/zinc/09/05/41/569090541.db2.gz HTHADEBFWLAIAX-UHFFFAOYSA-N 1 1 408.506 2.371 50 0 HEAAMO O=C(Nc1ccccc1)N1CC[NH+]([C@H](C(=O)N2CCOCC2)C2CCCC2)CC1 ZINC000036310717 569131927 /nfs/dbraw/zinc/13/19/27/569131927.db2.gz SPZAWVFYQFOQFN-FQEVSTJZSA-N 1 1 400.523 2.254 50 0 HEAAMO Cn1cccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000036342434 569142202 /nfs/dbraw/zinc/14/22/02/569142202.db2.gz SWBTYSMZIOJMNZ-FQEVSTJZSA-N 1 1 411.481 2.039 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1c2ccccc2CC(=O)N1Cc1ccccc1 ZINC000065170124 569189172 /nfs/dbraw/zinc/18/91/72/569189172.db2.gz CIGIGTFPLYBGHB-QHCPKHFHSA-N 1 1 407.514 2.151 50 0 HEAAMO C[NH+]1CCN(C(=O)C2CCN(c3nc4ccc(-c5cncnc5)nc4s3)CC2)CC1 ZINC000065272112 569215567 /nfs/dbraw/zinc/21/55/67/569215567.db2.gz BOIOONNUPSIAPJ-UHFFFAOYSA-N 1 1 423.546 2.139 50 0 HEAAMO COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)CC[NH+]3CCN(C)CC3)no2)c1 ZINC000170598027 569242201 /nfs/dbraw/zinc/24/22/01/569242201.db2.gz YHVQHJTWJJLSQZ-OAHLLOKOSA-N 1 1 402.495 2.115 50 0 HEAAMO CC[N@H+](C)[C@H](C(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)c1ccccc1 ZINC000170619890 569248168 /nfs/dbraw/zinc/24/81/68/569248168.db2.gz DJWVDIFUFDWXTE-PGRDOPGGSA-N 1 1 410.474 2.186 50 0 HEAAMO CC[N@@H+](C)[C@H](C(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)c1ccccc1 ZINC000170619890 569248169 /nfs/dbraw/zinc/24/81/69/569248169.db2.gz DJWVDIFUFDWXTE-PGRDOPGGSA-N 1 1 410.474 2.186 50 0 HEAAMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014329283 569259662 /nfs/dbraw/zinc/25/96/62/569259662.db2.gz IWVLIFPTWCVUQU-AWEZNQCLSA-N 1 1 417.506 2.365 50 0 HEAAMO Cc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007587687 569283487 /nfs/dbraw/zinc/28/34/87/569283487.db2.gz ZCFFJTQYCYTNMU-GOSISDBHSA-N 1 1 408.531 2.454 50 0 HEAAMO O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000013371430 569412915 /nfs/dbraw/zinc/41/29/15/569412915.db2.gz IYUGOWPLQMYHBF-ROUUACIJSA-N 1 1 401.525 2.245 50 0 HEAAMO C[NH+](C)[C@](C)(C(=O)NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(F)cc1 ZINC000078903247 569421506 /nfs/dbraw/zinc/42/15/06/569421506.db2.gz HADVVHHDKYUCJZ-NRFANRHFSA-N 1 1 419.522 2.111 50 0 HEAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000079048596 569425290 /nfs/dbraw/zinc/42/52/90/569425290.db2.gz QQAUNSSWJJIMDP-ZDUSSCGKSA-N 1 1 424.482 2.446 50 0 HEAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067287058 571065230 /nfs/dbraw/zinc/06/52/30/571065230.db2.gz LNMRRGWCXKMBDO-IBGZPJMESA-N 1 1 418.563 2.217 50 0 HEAAMO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067287058 571065233 /nfs/dbraw/zinc/06/52/33/571065233.db2.gz LNMRRGWCXKMBDO-IBGZPJMESA-N 1 1 418.563 2.217 50 0 HEAAMO CCOC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067287058 571065236 /nfs/dbraw/zinc/06/52/36/571065236.db2.gz LNMRRGWCXKMBDO-IBGZPJMESA-N 1 1 418.563 2.217 50 0 HEAAMO COc1cc(=O)n2c(c1C(=O)N[C@H](c1nc3ccc(C)cc3[nH]1)C(C)C)CC[NH2+]CC2 ZINC000670472605 571096410 /nfs/dbraw/zinc/09/64/10/571096410.db2.gz QQWGSBJYIVPYAT-NRFANRHFSA-N 1 1 423.517 2.314 50 0 HEAAMO CC[NH+]1CCN(c2ncc3c(ccn(CCc4ccc(OC)c(OC)c4)c3=O)n2)CC1 ZINC000039404019 571132148 /nfs/dbraw/zinc/13/21/48/571132148.db2.gz WSIRHNCOOBQWIY-UHFFFAOYSA-N 1 1 423.517 2.193 50 0 HEAAMO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)C(C)C)c1 ZINC000040107552 571167746 /nfs/dbraw/zinc/16/77/46/571167746.db2.gz FEQQPXLECBVUBP-OXQOHEQNSA-N 1 1 405.539 2.449 50 0 HEAAMO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)C(C)C)c1 ZINC000040107553 571167856 /nfs/dbraw/zinc/16/78/56/571167856.db2.gz FEQQPXLECBVUBP-OXJNMPFZSA-N 1 1 405.539 2.449 50 0 HEAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009516128 571264965 /nfs/dbraw/zinc/26/49/65/571264965.db2.gz NOASDEWKARESIP-CQSZACIVSA-N 1 1 419.503 2.127 50 0 HEAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009516128 571264966 /nfs/dbraw/zinc/26/49/66/571264966.db2.gz NOASDEWKARESIP-CQSZACIVSA-N 1 1 419.503 2.127 50 0 HEAAMO C[N@H+]1CCCN(C(=O)CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3)no2)CC1 ZINC000581785877 1078765448 /nfs/dbraw/zinc/76/54/48/1078765448.db2.gz MFFHCNNSFFFCKY-SFHVURJKSA-N 1 1 411.506 2.144 50 0 HEAAMO COCCO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnc(C)cn3)CC2)C12CCCCC2 ZINC000581803569 1078779938 /nfs/dbraw/zinc/77/99/38/1078779938.db2.gz YCWWDCFWWKHTBF-HXUWFJFHSA-N 1 1 402.539 2.440 50 0 HEAAMO COCCn1c(C)c[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000581815660 1078785837 /nfs/dbraw/zinc/78/58/37/1078785837.db2.gz FGPSFPXWQQSTMS-HNNXBMFYSA-N 1 1 409.508 2.033 50 0 HEAAMO O=C(c1ccco1)N1CCC(N2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000581814244 1078794083 /nfs/dbraw/zinc/79/40/83/1078794083.db2.gz OUVCSTWEPLCSNN-KDURUIRLSA-N 1 1 407.470 2.001 50 0 HEAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc(CNC(=O)c3ccncc3)n2CC1 ZINC000020601030 521486326 /nfs/dbraw/zinc/48/63/26/521486326.db2.gz QTANSFJWUXGIAU-UHFFFAOYSA-N 1 1 406.490 2.060 50 0 HEAAMO CC[C@H](C)[N@@H+](CCNS(=O)(=O)c1csc(C(N)=O)c1)Cc1cccs1 ZINC000020582042 523936507 /nfs/dbraw/zinc/93/65/07/523936507.db2.gz IYBRKFOGTYWCOD-LBPRGKRZSA-N 1 1 401.579 2.488 50 0 HEAAMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)C[C@@H](C)O1 ZINC000032895770 525043618 /nfs/dbraw/zinc/04/36/18/525043618.db2.gz FLYJKUJMOBYBLF-HZPDHXFCSA-N 1 1 409.577 2.373 50 0 HEAAMO COc1cccc(N2C[C@H](C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2=O)c1 ZINC000032755569 526162489 /nfs/dbraw/zinc/16/24/89/526162489.db2.gz QUPDOYQFOCKQIX-GOSISDBHSA-N 1 1 415.534 2.199 50 0 HEAAMO O=C(NCCCO)c1cn(C2CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)nn1 ZINC000020600511 527680044 /nfs/dbraw/zinc/68/00/44/527680044.db2.gz SPBVTPVJMNWNOO-LGMDPLHJSA-N 1 1 403.914 2.307 50 0 HEAAMO COc1cc(C)c(C[N@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1C ZINC000011838330 536572632 /nfs/dbraw/zinc/57/26/32/536572632.db2.gz WCGTXWSXBQHYRD-FGZHOGPDSA-N 1 1 410.562 2.464 50 0 HEAAMO COc1cc(C)c(CN2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1C ZINC000011838330 536572640 /nfs/dbraw/zinc/57/26/40/536572640.db2.gz WCGTXWSXBQHYRD-FGZHOGPDSA-N 1 1 410.562 2.464 50 0 HEAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1 ZINC000003671536 557497733 /nfs/dbraw/zinc/49/77/33/557497733.db2.gz WWOQJYBDFRQEGK-ZDUSSCGKSA-N 1 1 403.788 2.188 50 0 HEAAMO C[NH+]1CCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)CC1 ZINC000019742917 558263267 /nfs/dbraw/zinc/26/32/67/558263267.db2.gz SFBLOUIBCLXCAT-DEOSSOPVSA-N 1 1 411.546 2.428 50 0 HEAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011818450 558281523 /nfs/dbraw/zinc/28/15/23/558281523.db2.gz LFWKUXKVMAEXRA-SFHVURJKSA-N 1 1 400.498 2.336 50 0 HEAAMO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCCc2ccccc2)cc1 ZINC000019820966 558290408 /nfs/dbraw/zinc/29/04/08/558290408.db2.gz ZMJJQDBGMGDZKS-SFTDATJTSA-N 1 1 421.584 2.411 50 0 HEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(C)o2)CC3)cc1 ZINC000019840042 558293723 /nfs/dbraw/zinc/29/37/23/558293723.db2.gz CXDPPKGYDXYYSK-UHFFFAOYSA-N 1 1 409.490 2.219 50 0 HEAAMO COCCOC1CC[NH+](Cc2ccccc2OC[C@@H](O)CN2CCSCC2)CC1 ZINC000012051285 558314148 /nfs/dbraw/zinc/31/41/48/558314148.db2.gz OVVSTDDCAAUIOP-FQEVSTJZSA-N 1 1 424.607 2.103 50 0 HEAAMO Cc1ccc(OCc2cc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)no2)cn1 ZINC000020211369 558347522 /nfs/dbraw/zinc/34/75/22/558347522.db2.gz GCFYEWYUHUKQMD-KRWDZBQOSA-N 1 1 400.479 2.141 50 0 HEAAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc3cccnc3c1)CC2 ZINC000020907031 558421317 /nfs/dbraw/zinc/42/13/17/558421317.db2.gz YNDBGNZQESOGFO-INIZCTEOSA-N 1 1 408.506 2.098 50 0 HEAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cccc3ccccc31)CC2)[C@H]1CCCO1 ZINC000020909624 558421789 /nfs/dbraw/zinc/42/17/89/558421789.db2.gz KTDVMZBCPDMGAU-OAQYLSRUSA-N 1 1 419.529 2.327 50 0 HEAAMO COC(=O)CNC(=O)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000012701984 558447938 /nfs/dbraw/zinc/44/79/38/558447938.db2.gz NIDKCMZNSCIUHH-UHFFFAOYSA-N 1 1 401.551 2.085 50 0 HEAAMO Cc1nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793840 558449379 /nfs/dbraw/zinc/44/93/79/558449379.db2.gz CKALSNSDHHHSQA-UHFFFAOYSA-N 1 1 401.898 2.237 50 0 HEAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000021793750 558449400 /nfs/dbraw/zinc/44/94/00/558449400.db2.gz PHGQGEXKTFHNHF-UHFFFAOYSA-N 1 1 409.490 2.466 50 0 biogenic HEAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000012971615 558489097 /nfs/dbraw/zinc/48/90/97/558489097.db2.gz JOLBJEVRFJGKFI-JOCHJYFZSA-N 1 1 407.514 2.184 50 0 HEAAMO COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCOc4ccccc4)CC3)C2=O)cc1 ZINC000022807963 558513770 /nfs/dbraw/zinc/51/37/70/558513770.db2.gz QNGZWQNAHXPGJC-OAQYLSRUSA-N 1 1 409.486 2.024 50 0 HEAAMO O=C1NCCN1c1ccc(C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)cc1 ZINC000023153379 558539456 /nfs/dbraw/zinc/53/94/56/558539456.db2.gz FGRYDPLHEHJGAV-FQEVSTJZSA-N 1 1 400.548 2.347 50 0 HEAAMO O=C1NCCN1c1ccc(C[N@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)cc1 ZINC000023153379 558539458 /nfs/dbraw/zinc/53/94/58/558539458.db2.gz FGRYDPLHEHJGAV-FQEVSTJZSA-N 1 1 400.548 2.347 50 0 HEAAMO O=C1NCCN1c1ccc(CN2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)cc1 ZINC000023153379 558539459 /nfs/dbraw/zinc/53/94/59/558539459.db2.gz FGRYDPLHEHJGAV-FQEVSTJZSA-N 1 1 400.548 2.347 50 0 HEAAMO O=C1NCCN1c1ccc(CN2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)cc1 ZINC000023153379 558539461 /nfs/dbraw/zinc/53/94/61/558539461.db2.gz FGRYDPLHEHJGAV-FQEVSTJZSA-N 1 1 400.548 2.347 50 0 HEAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N1CCOCC1)N1CCCCC1 ZINC000023541064 558561381 /nfs/dbraw/zinc/56/13/81/558561381.db2.gz SCNXAFMDDWLIIB-RBBKRZOGSA-N 1 1 400.567 2.397 50 0 HEAAMO O=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH+]1CCOCC1)N1CCCCC1 ZINC000023541064 558561384 /nfs/dbraw/zinc/56/13/84/558561384.db2.gz SCNXAFMDDWLIIB-RBBKRZOGSA-N 1 1 400.567 2.397 50 0 HEAAMO O=C(COc1ccc(F)cc1Br)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023641916 558564271 /nfs/dbraw/zinc/56/42/71/558564271.db2.gz YSXPNTLBJPYWNW-AWEZNQCLSA-N 1 1 401.276 2.290 50 0 HEAAMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000024529379 558600651 /nfs/dbraw/zinc/60/06/51/558600651.db2.gz XEVQTAGHGZWVJB-UHFFFAOYSA-N 1 1 423.542 2.447 50 0 HEAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)s1 ZINC000014543539 558660988 /nfs/dbraw/zinc/66/09/88/558660988.db2.gz UNOHRPIEOHMNPN-VQTJNVASSA-N 1 1 408.527 2.292 50 0 HEAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)s1 ZINC000014543539 558660992 /nfs/dbraw/zinc/66/09/92/558660992.db2.gz UNOHRPIEOHMNPN-VQTJNVASSA-N 1 1 408.527 2.292 50 0 HEAAMO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1cccc(OC)c1OC)CC2 ZINC000014882026 558676347 /nfs/dbraw/zinc/67/63/47/558676347.db2.gz SUVDPMBRIAUYAO-HNNXBMFYSA-N 1 1 401.511 2.016 50 0 HEAAMO COc1cccc(OCc2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CO)no2)c1 ZINC000014969474 558686897 /nfs/dbraw/zinc/68/68/97/558686897.db2.gz SHQYHFQWGAGWIO-MRXNPFEDSA-N 1 1 403.479 2.229 50 0 HEAAMO CCN1CCN(c2ccccc2NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000072280931 558706073 /nfs/dbraw/zinc/70/60/73/558706073.db2.gz WQTNMVSKYAIBOW-UHFFFAOYSA-N 1 1 403.571 2.403 50 0 HEAAMO C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000072308353 558770152 /nfs/dbraw/zinc/77/01/52/558770152.db2.gz MARNCYZREXQRJP-LJQANCHMSA-N 1 1 416.547 2.263 50 0 HEAAMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000004597917 558834024 /nfs/dbraw/zinc/83/40/24/558834024.db2.gz NWPGJJAPZFAIDZ-UHFFFAOYSA-N 1 1 401.532 2.334 50 0 HEAAMO CN(CCC[NH+]1CCOCC1)C(=O)CCc1nnc(CCCc2ccccc2)o1 ZINC000019334796 558869348 /nfs/dbraw/zinc/86/93/48/558869348.db2.gz DLBXJCFENGRPIK-UHFFFAOYSA-N 1 1 400.523 2.358 50 0 HEAAMO O=C(Nc1ccccc1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071523577 558904526 /nfs/dbraw/zinc/90/45/26/558904526.db2.gz UQDLMMBCKUWRBJ-GOSISDBHSA-N 1 1 400.523 2.254 50 0 HEAAMO CCN1CCn2c(C)nc(C(=O)N3CCC[N@@H+](CC4CC4)[C@H](C(C)C)C3)c2C1=O ZINC000071753790 558909329 /nfs/dbraw/zinc/90/93/29/558909329.db2.gz UXYLNWVSCADWKP-SFHVURJKSA-N 1 1 401.555 2.250 50 0 HEAAMO COCC[N@@H+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000058306891 558918450 /nfs/dbraw/zinc/91/84/50/558918450.db2.gz BNNLIOFONAPYEK-CYBMUJFWSA-N 1 1 421.357 2.189 50 0 HEAAMO Cc1cc(=O)oc2cc(NC(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)ccc12 ZINC000058394081 558923952 /nfs/dbraw/zinc/92/39/52/558923952.db2.gz OTJBENCGCFBFSF-QGZVFWFLSA-N 1 1 400.479 2.166 50 0 HEAAMO CCOc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000072437884 558981148 /nfs/dbraw/zinc/98/11/48/558981148.db2.gz XPXNCDKZQWSQNG-UHFFFAOYSA-N 1 1 412.494 2.066 50 0 HEAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)cc1F ZINC000072442195 558982264 /nfs/dbraw/zinc/98/22/64/558982264.db2.gz ORZRVUFFBKYOPY-UHFFFAOYSA-N 1 1 413.501 2.030 50 0 HEAAMO C[NH+]1CCN(c2nc3nccc(-c4ccc(Br)cc4)c3c(=O)[nH]2)CC1 ZINC000066091668 558983545 /nfs/dbraw/zinc/98/35/45/558983545.db2.gz YVAHVQPPUSKLCJ-UHFFFAOYSA-N 1 1 400.280 2.499 50 0 HEAAMO Cc1nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc(N2CCOCC2)[nH+]1 ZINC000067613581 558989287 /nfs/dbraw/zinc/98/92/87/558989287.db2.gz CUXXXTYMDCUZNJ-UHFFFAOYSA-N 1 1 419.888 2.377 50 0 HEAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cn(Cc4c(F)cccc4F)nn3)CC2)C[C@H](C)O1 ZINC000067787850 558992894 /nfs/dbraw/zinc/99/28/94/558992894.db2.gz GSUIVXFIIVUUPJ-GASCZTMLSA-N 1 1 419.476 2.318 50 0 HEAAMO COc1cc(OC)cc(C(=O)N[C@H]2C[N@H+](C3CCOCC3)C[C@@H]2c2cccnc2)c1 ZINC000097112398 558995558 /nfs/dbraw/zinc/99/55/58/558995558.db2.gz BLBQEIZDXHJQQD-YADHBBJMSA-N 1 1 411.502 2.476 50 0 HEAAMO COc1ccc(CC(=O)N2CCC[N@@H+]([C@H]3CCN(CC4CC4)C3=O)CC2)cc1Cl ZINC000097138793 558996678 /nfs/dbraw/zinc/99/66/78/558996678.db2.gz UECBODWISMQVFF-IBGZPJMESA-N 1 1 419.953 2.436 50 0 HEAAMO COc1ccc(CC(=O)N2CCC[N@H+]([C@H]3CCN(CC4CC4)C3=O)CC2)cc1Cl ZINC000097138793 558996679 /nfs/dbraw/zinc/99/66/79/558996679.db2.gz UECBODWISMQVFF-IBGZPJMESA-N 1 1 419.953 2.436 50 0 HEAAMO Cc1nnc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)o1 ZINC000082096749 559037384 /nfs/dbraw/zinc/03/73/84/559037384.db2.gz UMLRCDRBQBJVDX-FQEVSTJZSA-N 1 1 411.550 2.413 50 0 HEAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cscn3)CC2)C1 ZINC000082106962 559038380 /nfs/dbraw/zinc/03/83/80/559038380.db2.gz MHNLZAQRNPTSHE-MRXNPFEDSA-N 1 1 413.547 2.171 50 0 HEAAMO CCN(CC)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082161869 559041873 /nfs/dbraw/zinc/04/18/73/559041873.db2.gz FGUSDXIQJLTLJB-SFHVURJKSA-N 1 1 401.555 2.336 50 0 HEAAMO CC(C)(CO)NC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091650777 559072850 /nfs/dbraw/zinc/07/28/50/559072850.db2.gz UHKSJVHXAGEEBQ-INIZCTEOSA-N 1 1 400.523 2.396 50 0 HEAAMO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[N@H+]3CC=C(C)CC3)cc2)CC1 ZINC000095528073 559086301 /nfs/dbraw/zinc/08/63/01/559086301.db2.gz JBHDRUBMVSLYEJ-NRFANRHFSA-N 1 1 402.535 2.463 50 0 HEAAMO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[N@@H+]3CC=C(C)CC3)cc2)CC1 ZINC000095528073 559086303 /nfs/dbraw/zinc/08/63/03/559086303.db2.gz JBHDRUBMVSLYEJ-NRFANRHFSA-N 1 1 402.535 2.463 50 0 HEAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000004930036 559209015 /nfs/dbraw/zinc/20/90/15/559209015.db2.gz XRXFXEZFHQBEQR-KRWDZBQOSA-N 1 1 413.497 2.386 50 0 HEAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000004930036 559209017 /nfs/dbraw/zinc/20/90/17/559209017.db2.gz XRXFXEZFHQBEQR-KRWDZBQOSA-N 1 1 413.497 2.386 50 0 HEAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 ZINC000004930583 559209579 /nfs/dbraw/zinc/20/95/79/559209579.db2.gz HULFHPZFAUAYTI-SFHVURJKSA-N 1 1 409.534 2.441 50 0 HEAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1 ZINC000004930583 559209580 /nfs/dbraw/zinc/20/95/80/559209580.db2.gz HULFHPZFAUAYTI-SFHVURJKSA-N 1 1 409.534 2.441 50 0 HEAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000005347776 560570787 /nfs/dbraw/zinc/57/07/87/560570787.db2.gz JSQZOXIEVZJZGM-CMCWBKRRSA-N 1 1 419.456 2.295 50 0 HEAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000005347776 560570788 /nfs/dbraw/zinc/57/07/88/560570788.db2.gz JSQZOXIEVZJZGM-CMCWBKRRSA-N 1 1 419.456 2.295 50 0 HEAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](CCO)C[C@H]12 ZINC000103899808 560844806 /nfs/dbraw/zinc/84/48/06/560844806.db2.gz BKTKCSYTIZBPQN-LADGPHEKSA-N 1 1 404.514 2.443 50 0 HEAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC2=NC(=O)N[C@@H](c3ccc(C)cc3)C2C(=O)OC)C1 ZINC000051318322 560858695 /nfs/dbraw/zinc/85/86/95/560858695.db2.gz UILJAMLNYWBFCL-APWZRJJASA-N 1 1 415.490 2.051 50 0 HEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC2=NC(=O)N[C@@H](c3ccc(C)cc3)C2C(=O)OC)C1 ZINC000051318322 560858696 /nfs/dbraw/zinc/85/86/96/560858696.db2.gz UILJAMLNYWBFCL-APWZRJJASA-N 1 1 415.490 2.051 50 0 HEAAMO COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000109048527 568420945 /nfs/dbraw/zinc/42/09/45/568420945.db2.gz KTRQWERWMXIXCI-LVCYWYKZSA-N 1 1 417.550 2.113 50 0 HEAAMO COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000109048527 568420946 /nfs/dbraw/zinc/42/09/46/568420946.db2.gz KTRQWERWMXIXCI-LVCYWYKZSA-N 1 1 417.550 2.113 50 0 HEAAMO O=C(c1ccccc1F)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000046140780 568430243 /nfs/dbraw/zinc/43/02/43/568430243.db2.gz NPZDGMQNPXRVBZ-UHFFFAOYSA-N 1 1 411.543 2.226 50 0 HEAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1ccc(OCc2cccnc2)cc1 ZINC000048265440 568433986 /nfs/dbraw/zinc/43/39/86/568433986.db2.gz NQEPAPFZRVVXRV-UNMCSNQZSA-N 1 1 411.502 2.128 50 0 HEAAMO CC(C)Cc1nnc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000049547863 568451584 /nfs/dbraw/zinc/45/15/84/568451584.db2.gz JRXABYNGBKPDEI-UHFFFAOYSA-N 1 1 416.551 2.203 50 0 HEAAMO CCOC(=O)C1C(CN2CC[NH+](CC)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214206 568594621 /nfs/dbraw/zinc/59/46/21/568594621.db2.gz WQOUTLSRWODWAK-SFHVURJKSA-N 1 1 406.914 2.149 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000020419015 568606686 /nfs/dbraw/zinc/60/66/86/568606686.db2.gz KEGRWBWTUPOFHA-UHFFFAOYSA-N 1 1 406.529 2.155 50 0 HEAAMO COc1c(Br)c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)nn1C ZINC000096181022 568702427 /nfs/dbraw/zinc/70/24/27/568702427.db2.gz GSZDAXKYHZBASF-UHFFFAOYSA-N 1 1 407.312 2.458 50 0 HEAAMO Cc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)OCC(=O)N2C)cc1 ZINC000096182392 568702827 /nfs/dbraw/zinc/70/28/27/568702827.db2.gz PXYFNZKUDUGGKM-GOTSBHOMSA-N 1 1 407.514 2.238 50 0 HEAAMO O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)NCCC[NH+]1CCOCC1 ZINC000021532610 568711353 /nfs/dbraw/zinc/71/13/53/568711353.db2.gz PBRDIRKDWJLLJO-UHFFFAOYSA-N 1 1 424.501 2.339 50 0 HEAAMO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCC[NH+]1CCOCC1 ZINC000021540152 568713532 /nfs/dbraw/zinc/71/35/32/568713532.db2.gz IYBWGQLYRBCSRU-UHFFFAOYSA-N 1 1 412.515 2.032 50 0 HEAAMO O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096344035 568737170 /nfs/dbraw/zinc/73/71/70/568737170.db2.gz KHJRFYZRKJVOAA-SFHVURJKSA-N 1 1 403.486 2.260 50 0 HEAAMO OCC[NH+]1CCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000082055729 568819060 /nfs/dbraw/zinc/81/90/60/568819060.db2.gz YROSPBQXYVDYAU-NRFANRHFSA-N 1 1 406.473 2.042 50 0 HEAAMO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000003323428 568854608 /nfs/dbraw/zinc/85/46/08/568854608.db2.gz XIXFSGKUPZZOKJ-UHFFFAOYSA-N 1 1 424.501 2.473 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2COC)CC1 ZINC000299757001 568872946 /nfs/dbraw/zinc/87/29/46/568872946.db2.gz GEXVOXUGOGASEO-UHFFFAOYSA-N 1 1 424.480 2.393 50 0 HEAAMO Cc1nccnc1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299796822 568876280 /nfs/dbraw/zinc/87/62/80/568876280.db2.gz OLYIKKMFBOJGQZ-FQEVSTJZSA-N 1 1 414.481 2.195 50 0 HEAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc(O)cc4)CC3)c2C(=O)N1C[C@@H]1CCCO1 ZINC000299797995 568876430 /nfs/dbraw/zinc/87/64/30/568876430.db2.gz UGTRHENCNXPAFV-IBGZPJMESA-N 1 1 421.497 2.489 50 0 HEAAMO C[NH+](C)CCN(C(=O)/C=C/c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000083851018 568919724 /nfs/dbraw/zinc/91/97/24/568919724.db2.gz VOMNMPJKHPTBCN-FUEXJSSKSA-N 1 1 421.382 2.101 50 0 HEAAMO CC(C)[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000012728308 568920971 /nfs/dbraw/zinc/92/09/71/568920971.db2.gz FQLBEHZPJHIPDZ-OAQYLSRUSA-N 1 1 420.513 2.472 50 0 HEAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000004101524 568942785 /nfs/dbraw/zinc/94/27/85/568942785.db2.gz FURGNSVWVPRYDK-OAHLLOKOSA-N 1 1 424.592 2.264 50 0 HEAAMO C[C@@H]1CN(C(=O)c2ccc(CNc3nc(N4CCOCC4)cc[nH+]3)cc2)C[C@@H](C)O1 ZINC000084706004 568956484 /nfs/dbraw/zinc/95/64/84/568956484.db2.gz ONRYLZXOEARYAB-IAGOWNOFSA-N 1 1 411.506 2.175 50 0 HEAAMO CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@H]4CCC[N@@H+]4CC)nc(C)n3n2)cc1 ZINC000015672116 568962370 /nfs/dbraw/zinc/96/23/70/568962370.db2.gz LEDYDUANPYAHMT-LJQANCHMSA-N 1 1 422.533 2.029 50 0 HEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncn2nc(-c3ccccc3)cc2c1=O ZINC000015772609 568998628 /nfs/dbraw/zinc/99/86/28/568998628.db2.gz JZNLWFCPNRKJKM-LJQANCHMSA-N 1 1 422.533 2.329 50 0 HEAAMO Cc1cc2c(cc1S(=O)(=O)NCCC[N@H+]1CCc3ccccc3C1)OCC(=O)N2 ZINC000015822150 569010778 /nfs/dbraw/zinc/01/07/78/569010778.db2.gz SQENBKVNCUUAON-UHFFFAOYSA-N 1 1 415.515 2.053 50 0 HEAAMO C[N@@H+](CCCn1ccnc1)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000089346163 569058677 /nfs/dbraw/zinc/05/86/77/569058677.db2.gz CGKINWMJYFXDCF-UHFFFAOYSA-N 1 1 407.400 2.443 50 0 HEAAMO Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+]([C@@H]4CCOC4)CC3)c2c1C ZINC000089565263 569070315 /nfs/dbraw/zinc/07/03/15/569070315.db2.gz SNWVXWMKZZEIRW-QGZVFWFLSA-N 1 1 417.579 2.051 50 0 HEAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036159143 569102582 /nfs/dbraw/zinc/10/25/82/569102582.db2.gz MQKYKCFFLQWSIN-ZDUSSCGKSA-N 1 1 407.536 2.390 50 0 HEAAMO CCCC(=O)OC[C@@H](O)C[N@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036159143 569102583 /nfs/dbraw/zinc/10/25/83/569102583.db2.gz MQKYKCFFLQWSIN-ZDUSSCGKSA-N 1 1 407.536 2.390 50 0 HEAAMO O=C(Nc1ccccc1)N1CC[NH+]([C@@H](C(=O)N2CCOCC2)C2CCCC2)CC1 ZINC000036310719 569131931 /nfs/dbraw/zinc/13/19/31/569131931.db2.gz SPZAWVFYQFOQFN-HXUWFJFHSA-N 1 1 400.523 2.254 50 0 HEAAMO CCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000036543714 569198214 /nfs/dbraw/zinc/19/82/14/569198214.db2.gz GJKYLCLYBYJDCE-FGZHOGPDSA-N 1 1 404.514 2.436 50 0 HEAAMO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000007340113 569234068 /nfs/dbraw/zinc/23/40/68/569234068.db2.gz AYFCCYZADNSLPR-UHFFFAOYSA-N 1 1 404.536 2.073 50 0 HEAAMO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000007340113 569234069 /nfs/dbraw/zinc/23/40/69/569234069.db2.gz AYFCCYZADNSLPR-UHFFFAOYSA-N 1 1 404.536 2.073 50 0 HEAAMO CCc1cc2c(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)cc(=O)oc2cc1O ZINC000014334039 569259596 /nfs/dbraw/zinc/25/95/96/569259596.db2.gz WEXRJMHALJHUPC-MRXNPFEDSA-N 1 1 400.475 2.132 50 0 HEAAMO O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000252570611 569294434 /nfs/dbraw/zinc/29/44/34/569294434.db2.gz WXZHVIJYLUXOLH-XUVXKRRUSA-N 1 1 412.534 2.472 50 0 HEAAMO CCn1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CC[NH+](CC(C)C)CC2)CCO3)n1 ZINC000581819771 569320769 /nfs/dbraw/zinc/32/07/69/569320769.db2.gz JXPHDDGIOPPHEE-HXUWFJFHSA-N 1 1 417.598 2.330 50 0 HEAAMO CCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccccc2Cl)n(C)c1=O ZINC000008724529 571107737 /nfs/dbraw/zinc/10/77/37/571107737.db2.gz JZTTXGQLAZPNPP-UHFFFAOYSA-N 1 1 400.870 2.356 50 0 HEAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000008725098 571108040 /nfs/dbraw/zinc/10/80/40/571108040.db2.gz QXKHTARDXXZDCQ-MRXNPFEDSA-N 1 1 424.505 2.047 50 0 HEAAMO CCCCN1C(=O)C[C@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1ccc(OC)cc1 ZINC000040025427 571140221 /nfs/dbraw/zinc/14/02/21/571140221.db2.gz QCCWIXXONAUBMJ-RBBKRZOGSA-N 1 1 417.550 2.223 50 0 HEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000009235023 571240026 /nfs/dbraw/zinc/24/00/26/571240026.db2.gz BOESPHYEONFFIN-QPXQOZNCSA-N 1 1 421.428 2.266 50 0 HEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000009235023 571240027 /nfs/dbraw/zinc/24/00/27/571240027.db2.gz BOESPHYEONFFIN-QPXQOZNCSA-N 1 1 421.428 2.266 50 0 HEAAMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1cnc2ccccc2n1 ZINC000071835065 571302800 /nfs/dbraw/zinc/30/28/00/571302800.db2.gz PFEWBGDVZNGSFW-UHFFFAOYSA-N 1 1 405.458 2.278 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCCC(=O)N2Cc2ccccc2)CC1 ZINC000581785966 1078765345 /nfs/dbraw/zinc/76/53/45/1078765345.db2.gz SRYIJAUNSYTTEG-NRFANRHFSA-N 1 1 400.567 2.102 50 0 HEAAMO CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCC[NH+]3CCOCC3)c12 ZINC000020546766 521347989 /nfs/dbraw/zinc/34/79/89/521347989.db2.gz IGTKCWZAMNNMAM-UHFFFAOYSA-N 1 1 402.491 2.271 50 0 HEAAMO CCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)c1 ZINC000032695437 521686061 /nfs/dbraw/zinc/68/60/61/521686061.db2.gz LMGLRAANPUMTIV-SFHVURJKSA-N 1 1 405.520 2.490 50 0 HEAAMO COC(=O)C1CCN(C(=O)CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000040162289 522907927 /nfs/dbraw/zinc/90/79/27/522907927.db2.gz WYUQPOLRWPVRRN-UHFFFAOYSA-N 1 1 401.551 2.339 50 0 HEAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)[NH+](C)C ZINC000032695528 524732938 /nfs/dbraw/zinc/73/29/38/524732938.db2.gz LKHBXBGZRNBUBD-GOSISDBHSA-N 1 1 405.520 2.408 50 0 HEAAMO O=C(COc1ccc2c(c1)CCC(=O)N2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032195380 526968631 /nfs/dbraw/zinc/96/86/31/526968631.db2.gz DFJAMXZITNAJME-UHFFFAOYSA-N 1 1 401.507 2.101 50 0 HEAAMO Cc1ccc(CN(c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000000639692 557031930 /nfs/dbraw/zinc/03/19/30/557031930.db2.gz QFGQYMWBQRXNQJ-UHFFFAOYSA-N 1 1 401.532 2.349 50 0 HEAAMO COCCN(C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000034667318 557361046 /nfs/dbraw/zinc/36/10/46/557361046.db2.gz ZFPHUTIURXRJMP-DHIUTWEWSA-N 1 1 412.530 2.080 50 0 HEAAMO COCCN(C[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000034667318 557361049 /nfs/dbraw/zinc/36/10/49/557361049.db2.gz ZFPHUTIURXRJMP-DHIUTWEWSA-N 1 1 412.530 2.080 50 0 HEAAMO Cc1ccccc1C(=O)N1CCc2nc(N3CCCC3)nc(N3CC[NH+](C)CC3)c2C1 ZINC000034676931 557364088 /nfs/dbraw/zinc/36/40/88/557364088.db2.gz UFBYIGUZQKKGLQ-UHFFFAOYSA-N 1 1 420.561 2.336 50 0 HEAAMO COc1cccc(N2C[C@H](NC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)c1 ZINC000022664454 557712302 /nfs/dbraw/zinc/71/23/02/557712302.db2.gz JZEAWJCTUHCQOU-LJQANCHMSA-N 1 1 408.502 2.328 50 0 HEAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](C3CCN(Cc4ccco4)CC3)C2)CC1 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/nfs/dbraw/zinc/36/21/44/558362144.db2.gz SWMPBRAWTLKHRI-GOSISDBHSA-N 1 1 412.921 2.475 50 0 HEAAMO CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(C3Cc4ccccc4C3)C(=O)[C@]23CCC[N@H+]13 ZINC000012302794 558372356 /nfs/dbraw/zinc/37/23/56/558372356.db2.gz FIHODRPLXKLVJK-REIDKSKDSA-N 1 1 420.513 2.492 50 0 HEAAMO CCOC(=O)c1n[nH]cc1[C@@H]1C[C@H]2CN(C3Cc4ccccc4C3)C(=O)[C@]23CCC[N@@H+]13 ZINC000012302794 558372357 /nfs/dbraw/zinc/37/23/57/558372357.db2.gz FIHODRPLXKLVJK-REIDKSKDSA-N 1 1 420.513 2.492 50 0 HEAAMO C[C@@H]1CCCc2sc3ncn4nc(C(=O)NCCC[NH+]5CCOCC5)nc4c3c21 ZINC000020533364 558384561 /nfs/dbraw/zinc/38/45/61/558384561.db2.gz KTIUOROGKQIHAB-CYBMUJFWSA-N 1 1 414.535 2.231 50 0 HEAAMO Cc1cc(=O)oc2c(C)c(OC[C@@H](O)C[NH+]3CCN(c4ccccn4)CC3)ccc12 ZINC000020732718 558407114 /nfs/dbraw/zinc/40/71/14/558407114.db2.gz DMLNCIPMPLZFMC-SFHVURJKSA-N 1 1 409.486 2.367 50 0 HEAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(C)cc2)CC3)o1 ZINC000020996117 558426802 /nfs/dbraw/zinc/42/68/02/558426802.db2.gz RMBUPKMUALOOEU-UHFFFAOYSA-N 1 1 409.490 2.314 50 0 HEAAMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2ccccc2O)CC1 ZINC000021846954 558452258 /nfs/dbraw/zinc/45/22/58/558452258.db2.gz OVWUHJILIZCJOA-FQEVSTJZSA-N 1 1 408.546 2.247 50 0 HEAAMO NC(=O)CN1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000012764166 558461593 /nfs/dbraw/zinc/46/15/93/558461593.db2.gz ZHMPHNVIBABZDD-HSZRJFAPSA-N 1 1 404.599 2.079 50 0 HEAAMO NC(=O)Cn1cc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c2ccccc21 ZINC000022914682 558521070 /nfs/dbraw/zinc/52/10/70/558521070.db2.gz GLPBZQAHBJGMPA-NRFANRHFSA-N 1 1 406.530 2.195 50 0 HEAAMO NC(=O)Cn1cc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c2ccccc21 ZINC000022914682 558521072 /nfs/dbraw/zinc/52/10/72/558521072.db2.gz GLPBZQAHBJGMPA-NRFANRHFSA-N 1 1 406.530 2.195 50 0 HEAAMO NC(=O)Cn1cc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c2ccccc21 ZINC000022914682 558521073 /nfs/dbraw/zinc/52/10/73/558521073.db2.gz GLPBZQAHBJGMPA-NRFANRHFSA-N 1 1 406.530 2.195 50 0 HEAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000022930701 558524234 /nfs/dbraw/zinc/52/42/34/558524234.db2.gz RYQJAYTVMXOMKZ-UHFFFAOYSA-N 1 1 424.501 2.314 50 0 HEAAMO Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000022931379 558524463 /nfs/dbraw/zinc/52/44/63/558524463.db2.gz QTXJICKVUHMMMS-UHFFFAOYSA-N 1 1 408.546 2.484 50 0 HEAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(Br)c1 ZINC000022955914 558527666 /nfs/dbraw/zinc/52/76/66/558527666.db2.gz PMNPAFAPJGWGIF-UHFFFAOYSA-N 1 1 404.312 2.181 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)CCc3c(C)noc3C)CC2)CC1 ZINC000023366969 558552934 /nfs/dbraw/zinc/55/29/34/558552934.db2.gz RJGDWNSQJPINII-UHFFFAOYSA-N 1 1 404.555 2.407 50 0 HEAAMO COc1ccc(C[N@H+](Cc2cccs2)C[C@H](O)CN2CCOCC2)cc1OC ZINC000023763671 558575213 /nfs/dbraw/zinc/57/52/13/558575213.db2.gz VFURRMWBZJXWIJ-GOSISDBHSA-N 1 1 406.548 2.461 50 0 HEAAMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1Cl ZINC000024988936 558625658 /nfs/dbraw/zinc/62/56/58/558625658.db2.gz UTLIEEHSQOWLRH-AWEZNQCLSA-N 1 1 409.914 2.246 50 0 HEAAMO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000024991565 558626177 /nfs/dbraw/zinc/62/61/77/558626177.db2.gz MOOZRYAWAOONRG-CQSZACIVSA-N 1 1 424.339 2.347 50 0 HEAAMO C[C@H](C(=O)Nc1ccc(F)cc1)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014185147 558630244 /nfs/dbraw/zinc/63/02/44/558630244.db2.gz SVTIPWVLWWSZGT-GOSISDBHSA-N 1 1 412.509 2.429 50 0 HEAAMO C[C@@H](C(=O)NC1CCCCC1)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014190069 558632451 /nfs/dbraw/zinc/63/24/51/558632451.db2.gz ZNCMSRFJBVNVIE-IBGZPJMESA-N 1 1 400.567 2.100 50 0 HEAAMO Cc1cc(C)n2nc(SCC(=O)N3CC[NH+](Cc4ccccc4C)CC3)nc2n1 ZINC000027112597 558669692 /nfs/dbraw/zinc/66/96/92/558669692.db2.gz FBNXUQUMUMTYEG-UHFFFAOYSA-N 1 1 410.547 2.486 50 0 HEAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 ZINC000014964381 558685202 /nfs/dbraw/zinc/68/52/02/558685202.db2.gz GBLMDGDOPDKZFZ-UHFFFAOYSA-N 1 1 411.481 2.278 50 0 HEAAMO COc1cccc(OCc2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3CO)no2)c1 ZINC000014969478 558686809 /nfs/dbraw/zinc/68/68/09/558686809.db2.gz SHQYHFQWGAGWIO-INIZCTEOSA-N 1 1 403.479 2.229 50 0 HEAAMO CSCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000014974500 558688825 /nfs/dbraw/zinc/68/88/25/558688825.db2.gz NUVZESWIAOSHBK-LJQANCHMSA-N 1 1 403.592 2.411 50 0 HEAAMO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc[n+]([O-])c1 ZINC000014979065 558690458 /nfs/dbraw/zinc/69/04/58/558690458.db2.gz ZKBSXAUIHZVENA-LJQANCHMSA-N 1 1 414.525 2.375 50 0 HEAAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000072272385 558691244 /nfs/dbraw/zinc/69/12/44/558691244.db2.gz YCABGISCFZPBPO-QIYLELGZSA-N 1 1 417.550 2.241 50 0 HEAAMO CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000015074025 558714801 /nfs/dbraw/zinc/71/48/01/558714801.db2.gz BEOKUXKOBMTVSH-UHFFFAOYSA-N 1 1 423.941 2.182 50 0 HEAAMO COc1ccccc1CCC(=O)N1CCC[C@H](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000015075675 558715964 /nfs/dbraw/zinc/71/59/64/558715964.db2.gz DIZIDBLAAQENKF-LJQANCHMSA-N 1 1 401.551 2.421 50 0 HEAAMO Cc1cc(C)cc(C(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)c1 ZINC000035422016 558791774 /nfs/dbraw/zinc/79/17/74/558791774.db2.gz JIKDSRYDPHAKHO-UHFFFAOYSA-N 1 1 400.567 2.053 50 0 HEAAMO C[C@@H]1CCCC[N@@H+]1CCN(CC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000033032733 558857069 /nfs/dbraw/zinc/85/70/69/558857069.db2.gz AXPBGYJHESRKPZ-QGZVFWFLSA-N 1 1 406.958 2.088 50 0 HEAAMO C[C@@H]1CCCC[N@H+]1CCN(CC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000033032733 558857071 /nfs/dbraw/zinc/85/70/71/558857071.db2.gz AXPBGYJHESRKPZ-QGZVFWFLSA-N 1 1 406.958 2.088 50 0 HEAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000019370504 558878852 /nfs/dbraw/zinc/87/88/52/558878852.db2.gz PEFPRACWPOPOFU-OAQYLSRUSA-N 1 1 421.497 2.313 50 0 HEAAMO CCNc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000071575335 558905495 /nfs/dbraw/zinc/90/54/95/558905495.db2.gz KZVWFPAABSSUBY-IBGZPJMESA-N 1 1 423.565 2.301 50 0 HEAAMO O=C(c1cccc(F)c1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071745606 558908430 /nfs/dbraw/zinc/90/84/30/558908430.db2.gz GCVNMFIQFVDZMG-SFHVURJKSA-N 1 1 403.498 2.001 50 0 HEAAMO O=C([C@H]1CCC[N@H+](C2CCN(S(=O)(=O)c3ccccc3)CC2)C1)N1CCCC1 ZINC000071751808 558908975 /nfs/dbraw/zinc/90/89/75/558908975.db2.gz HYTQXQRRBBQALM-SFHVURJKSA-N 1 1 405.564 2.174 50 0 HEAAMO O=C(/C=C/c1ccco1)N1CC[C@@H]([NH+]2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000019535279 558913498 /nfs/dbraw/zinc/91/34/98/558913498.db2.gz IRASCFKJVFVWNK-VSJRMHGZSA-N 1 1 409.530 2.115 50 0 HEAAMO COc1ccc(C2=NN(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)C(=O)CC2)cc1 ZINC000004712560 558917823 /nfs/dbraw/zinc/91/78/23/558917823.db2.gz AJEKBBMWTOYONQ-KRWDZBQOSA-N 1 1 400.523 2.402 50 0 HEAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(CC)c(=O)c1=O ZINC000033068505 558962946 /nfs/dbraw/zinc/96/29/46/558962946.db2.gz NMDJPLANRMBDNS-LJQANCHMSA-N 1 1 422.529 2.210 50 0 HEAAMO COC(=O)c1ccc(NC(=O)N2CCC[N@@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)cc1 ZINC000097096213 558991996 /nfs/dbraw/zinc/99/19/96/558991996.db2.gz ODZJIVFHJKXHCG-LJQANCHMSA-N 1 1 414.506 2.024 50 0 HEAAMO COC(=O)c1ccc(NC(=O)N2CCC[N@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)cc1 ZINC000097096213 558991998 /nfs/dbraw/zinc/99/19/98/558991998.db2.gz ODZJIVFHJKXHCG-LJQANCHMSA-N 1 1 414.506 2.024 50 0 HEAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4cccc5ccccc54)CC3)ncn2)CC1 ZINC000077136005 558999526 /nfs/dbraw/zinc/99/95/26/558999526.db2.gz WBIFAXDYEAQJTJ-UHFFFAOYSA-N 1 1 416.529 2.344 50 0 HEAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)n(C)n1 ZINC000082092330 559037170 /nfs/dbraw/zinc/03/71/70/559037170.db2.gz NWPDLMUJWSZULM-FQEVSTJZSA-N 1 1 410.566 2.116 50 0 HEAAMO Cc1nnc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082126509 559039891 /nfs/dbraw/zinc/03/98/91/559039891.db2.gz XCOTYBUEEWBADC-LJQANCHMSA-N 1 1 412.538 2.108 50 0 HEAAMO Nc1ncccc1CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127937 559040071 /nfs/dbraw/zinc/04/00/71/559040071.db2.gz NPBHMGSHCVXJMA-LJQANCHMSA-N 1 1 408.550 2.052 50 0 HEAAMO CN(CC(C)(C)CO)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082138275 559040434 /nfs/dbraw/zinc/04/04/34/559040434.db2.gz HDIDKXNHGLQFQC-HXUWFJFHSA-N 1 1 402.583 2.235 50 0 HEAAMO Cc1c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cnn1C ZINC000082160402 559041793 /nfs/dbraw/zinc/04/17/93/559041793.db2.gz MOISYXIAJMNARD-HXUWFJFHSA-N 1 1 410.566 2.116 50 0 HEAAMO COCCNC(=O)NC(=O)C[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000011285367 559049043 /nfs/dbraw/zinc/04/90/43/559049043.db2.gz HISJKKWKZWAVOC-HNNXBMFYSA-N 1 1 417.506 2.118 50 0 HEAAMO COCCNC(=O)NC(=O)C[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000011285367 559049045 /nfs/dbraw/zinc/04/90/45/559049045.db2.gz HISJKKWKZWAVOC-HNNXBMFYSA-N 1 1 417.506 2.118 50 0 HEAAMO COCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000033313944 559055206 /nfs/dbraw/zinc/05/52/06/559055206.db2.gz RNZZYOSKFJHAHJ-MRXNPFEDSA-N 1 1 418.494 2.119 50 0 HEAAMO COCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)C1 ZINC000033313944 559055208 /nfs/dbraw/zinc/05/52/08/559055208.db2.gz RNZZYOSKFJHAHJ-MRXNPFEDSA-N 1 1 418.494 2.119 50 0 HEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000023638805 559178443 /nfs/dbraw/zinc/17/84/43/559178443.db2.gz OWCVIEMMAHCUQE-UHFFFAOYSA-N 1 1 412.534 2.284 50 0 HEAAMO Cc1ccc(Cn2c(C[NH+]3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000004930228 559209168 /nfs/dbraw/zinc/20/91/68/559209168.db2.gz SJDZNNBNTXVLQR-IAGOWNOFSA-N 1 1 409.534 2.268 50 0 HEAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000062580878 560631627 /nfs/dbraw/zinc/63/16/27/560631627.db2.gz CGSNEJZSSRWOEI-DUXKGJEZSA-N 1 1 419.522 2.103 50 0 HEAAMO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000062581724 560632092 /nfs/dbraw/zinc/63/20/92/560632092.db2.gz DIMZZKBXXKBDTL-MSOLQXFVSA-N 1 1 407.518 2.411 50 0 HEAAMO O=C1C[C@H]([NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)C(=O)N1c1ccccc1 ZINC000025174451 560891117 /nfs/dbraw/zinc/89/11/17/560891117.db2.gz SWKSABFBQXPQPK-INIZCTEOSA-N 1 1 408.487 2.371 50 0 HEAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000107053179 560895009 /nfs/dbraw/zinc/89/50/09/560895009.db2.gz ZQNMPBDFERNXIM-VXGBXAGGSA-N 1 1 402.358 2.381 50 0 HEAAMO COCCn1nc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccc1=O ZINC000048310383 568436676 /nfs/dbraw/zinc/43/66/76/568436676.db2.gz LJLPUPDRWIFLGK-HDICACEKSA-N 1 1 412.534 2.298 50 0 HEAAMO CCOC(=O)C1C(CN2CC[NH+]([C@H](C)CC)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020214270 568594779 /nfs/dbraw/zinc/59/47/79/568594779.db2.gz KNRVBYUXFRNVLV-QRWLVFNGSA-N 1 1 418.513 2.413 50 0 HEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)cc1 ZINC000020410679 568605250 /nfs/dbraw/zinc/60/52/50/568605250.db2.gz KNFPTXPJFPQXSU-QPXQOZNCSA-N 1 1 403.438 2.126 50 0 biogenic HEAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000095432326 568609348 /nfs/dbraw/zinc/60/93/48/568609348.db2.gz WAXKNGLMEBKUAP-OXJNMPFZSA-N 1 1 414.550 2.342 50 0 HEAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1 ZINC000095432324 568609359 /nfs/dbraw/zinc/60/93/59/568609359.db2.gz WAXKNGLMEBKUAP-JXFKEZNVSA-N 1 1 414.550 2.342 50 0 HEAAMO COC(=O)[C@]1(C)CCN(c2cc(C)nc([C@@H](C)[N@@H+]3CC[C@@](C)(C(=O)OC)C3)n2)C1 ZINC000095452723 568615398 /nfs/dbraw/zinc/61/53/98/568615398.db2.gz KCUYWGSOUPXUCI-IPHXSNPTSA-N 1 1 404.511 2.120 50 0 HEAAMO COC(=O)[C@]1(C)CCN(c2cc(C)nc([C@@H](C)[N@H+]3CC[C@@](C)(C(=O)OC)C3)n2)C1 ZINC000095452723 568615401 /nfs/dbraw/zinc/61/54/01/568615401.db2.gz KCUYWGSOUPXUCI-IPHXSNPTSA-N 1 1 404.511 2.120 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(C)C)N3)CC1 ZINC000020682694 568640113 /nfs/dbraw/zinc/64/01/13/568640113.db2.gz DVHDGKCNXRFNDV-HXUWFJFHSA-N 1 1 401.555 2.223 50 0 HEAAMO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000225852519 568680739 /nfs/dbraw/zinc/68/07/39/568680739.db2.gz QWEGDVUHLBGCKJ-MRXNPFEDSA-N 1 1 417.535 2.366 50 0 HEAAMO COCc1ccc(C[NH+]2CCN([C@H]3CCCN(C4CCOCC4)C3=O)CC2)cc1 ZINC000095999811 568680934 /nfs/dbraw/zinc/68/09/34/568680934.db2.gz JNGAXXISNZDNHL-QFIPXVFZSA-N 1 1 401.551 2.121 50 0 HEAAMO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000096291690 568720921 /nfs/dbraw/zinc/72/09/21/568720921.db2.gz AFGKIMRJZBMXNQ-UYRXBGFRSA-N 1 1 423.966 2.438 50 0 HEAAMO Cc1ccc(-n2c3ncccc3n(CC(=O)NCC[N@@H+]3CCCC[C@H]3C)c2=O)cc1 ZINC000096385611 568741955 /nfs/dbraw/zinc/74/19/55/568741955.db2.gz IBHWPCRIIMLYHA-GOSISDBHSA-N 1 1 407.518 2.486 50 0 HEAAMO CCOCCC[N@@H+](C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021888035 568758813 /nfs/dbraw/zinc/75/88/13/568758813.db2.gz OGCMYRBEANCUAZ-UHFFFAOYSA-N 1 1 423.579 2.473 50 0 HEAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NC2CCCCC2)CC1 ZINC000022460035 568768182 /nfs/dbraw/zinc/76/81/82/568768182.db2.gz TZYWEABBBFIBJV-QFBILLFUSA-N 1 1 406.596 2.380 50 0 HEAAMO O=C1C[C@H](C[N@@H+]2CCc3nnc(Cc4cccnc4)n3CC2)CN1c1ccccc1 ZINC000299772814 568874436 /nfs/dbraw/zinc/87/44/36/568874436.db2.gz AFOCWNSHVQOZKN-LJQANCHMSA-N 1 1 402.502 2.175 50 0 HEAAMO C[NH+](C)CC(C)(C)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299791566 568875808 /nfs/dbraw/zinc/87/58/08/568875808.db2.gz GYTMNVZRJNMDAH-OAQYLSRUSA-N 1 1 421.557 2.484 50 0 HEAAMO Cc1cccc(N2CC[NH+](CCNC(=O)C[C@@H]3Oc4ccccc4NC3=O)CC2)c1C ZINC000058064999 568882147 /nfs/dbraw/zinc/88/21/47/568882147.db2.gz FOKDYQRYDZFXTL-QFIPXVFZSA-N 1 1 422.529 2.331 50 0 HEAAMO CCn1c(=O)c(C(=O)C[N@H+](C)Cc2ccccc2C)c(N)n(Cc2ccccc2)c1=O ZINC000058149237 568892488 /nfs/dbraw/zinc/89/24/88/568892488.db2.gz QHTUIEFTKSHMBO-UHFFFAOYSA-N 1 1 420.513 2.284 50 0 HEAAMO CCn1c(=O)c(C(=O)C[N@@H+](C)Cc2ccccc2C)c(N)n(Cc2ccccc2)c1=O ZINC000058149237 568892490 /nfs/dbraw/zinc/89/24/90/568892490.db2.gz QHTUIEFTKSHMBO-UHFFFAOYSA-N 1 1 420.513 2.284 50 0 HEAAMO COc1cccc(SCC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)c1 ZINC000670443807 568906851 /nfs/dbraw/zinc/90/68/51/568906851.db2.gz YMNPFQPAYWRELT-WHKWTHTOSA-N 1 1 423.582 2.471 50 0 HEAAMO O=C(CC[NH+]1CCN([C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1F ZINC000084340720 568946941 /nfs/dbraw/zinc/94/69/41/568946941.db2.gz WONQJNHABOUJAN-CQSZACIVSA-N 1 1 400.292 2.323 50 0 HEAAMO CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000229702758 568954641 /nfs/dbraw/zinc/95/46/41/568954641.db2.gz ZVVINHNERSCXLG-HOJAQTOUSA-N 1 1 407.580 2.370 50 0 HEAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000008184736 568980035 /nfs/dbraw/zinc/98/00/35/568980035.db2.gz MTSXCKDRNTZOGE-KRWDZBQOSA-N 1 1 414.506 2.337 50 0 HEAAMO CCCn1c(N)c(C(=O)C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000008184736 568980038 /nfs/dbraw/zinc/98/00/38/568980038.db2.gz MTSXCKDRNTZOGE-KRWDZBQOSA-N 1 1 414.506 2.337 50 0 HEAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000006604637 569070790 /nfs/dbraw/zinc/07/07/90/569070790.db2.gz DHJMYTWZSXUKBL-CYBMUJFWSA-N 1 1 411.911 2.325 50 0 HEAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000006604637 569070791 /nfs/dbraw/zinc/07/07/91/569070791.db2.gz DHJMYTWZSXUKBL-CYBMUJFWSA-N 1 1 411.911 2.325 50 0 HEAAMO CCn1c(C[N@H+]2CCC[C@@H](C)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908105 569178721 /nfs/dbraw/zinc/17/87/21/569178721.db2.gz NCOQCEAQLYOWIY-MRXNPFEDSA-N 1 1 406.552 2.309 50 0 HEAAMO C[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2ccc(F)cc2)c(=O)c2ccnn23)CC1 ZINC000065270947 569213584 /nfs/dbraw/zinc/21/35/84/569213584.db2.gz SILXJUZTRHZYMK-UHFFFAOYSA-N 1 1 419.460 2.224 50 0 HEAAMO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000065587306 569236366 /nfs/dbraw/zinc/23/63/66/569236366.db2.gz FFPSISADFSBNFH-CQSZACIVSA-N 1 1 412.303 2.405 50 0 HEAAMO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 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O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000082230377 559042753 /nfs/dbraw/zinc/04/27/53/559042753.db2.gz SCIQEEIBBSLSKZ-UHFFFAOYSA-N 1 1 421.423 2.294 50 0 HEAAMO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000247535290 559077793 /nfs/dbraw/zinc/07/77/93/559077793.db2.gz QHPKIRUCLYGSKW-XHSDSOJGSA-N 1 1 400.566 2.116 50 0 HEAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000247535290 559077794 /nfs/dbraw/zinc/07/77/94/559077794.db2.gz QHPKIRUCLYGSKW-XHSDSOJGSA-N 1 1 400.566 2.116 50 0 HEAAMO O=C1NCCN1c1ccc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000095503032 559082561 /nfs/dbraw/zinc/08/25/61/559082561.db2.gz WFDYFDGJLRVHJX-IBGZPJMESA-N 1 1 400.548 2.347 50 0 HEAAMO COc1cccc(C[N@H+](C)Cc2ccncc2C)c1OC[C@@H](O)CN1CCOCC1 ZINC000096416631 559110212 /nfs/dbraw/zinc/11/02/12/559110212.db2.gz HSCBFPGVXRJLJT-NRFANRHFSA-N 1 1 415.534 2.103 50 0 HEAAMO COc1cccc(C[N@@H+](C)Cc2ccncc2C)c1OC[C@@H](O)CN1CCOCC1 ZINC000096416631 559110214 /nfs/dbraw/zinc/11/02/14/559110214.db2.gz HSCBFPGVXRJLJT-NRFANRHFSA-N 1 1 415.534 2.103 50 0 HEAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000004822523 559151449 /nfs/dbraw/zinc/15/14/49/559151449.db2.gz JWYDIEMCHCPPGH-UHFFFAOYSA-N 1 1 405.426 2.261 50 0 HEAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)C1 ZINC000004930037 559209009 /nfs/dbraw/zinc/20/90/09/559209009.db2.gz HTSCBTZKVJGAOL-GASCZTMLSA-N 1 1 413.497 2.099 50 0 HEAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)C1 ZINC000004930037 559209011 /nfs/dbraw/zinc/20/90/11/559209011.db2.gz HTSCBTZKVJGAOL-GASCZTMLSA-N 1 1 413.497 2.099 50 0 HEAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)[NH+](C)C)cc1OC ZINC000011999401 559270428 /nfs/dbraw/zinc/27/04/28/559270428.db2.gz ZGFKGEQROXWLGJ-OAHLLOKOSA-N 1 1 408.476 2.014 50 0 HEAAMO COc1cc(C[NH2+]CCc2ccccn2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012315494 568466837 /nfs/dbraw/zinc/46/68/37/568466837.db2.gz OYMICVGPXKIRCF-HXUWFJFHSA-N 1 1 417.575 2.211 50 0 HEAAMO C[NH+]1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)CC1 ZINC000020415741 568605979 /nfs/dbraw/zinc/60/59/79/568605979.db2.gz IMDBATGRRBCUHE-UHFFFAOYSA-N 1 1 415.497 2.174 50 0 HEAAMO C[NH+]1CCN(C(=O)Cn2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)n2)CC1 ZINC000095406037 568606125 /nfs/dbraw/zinc/60/61/25/568606125.db2.gz NTZKWMRAAUUFAB-QGZVFWFLSA-N 1 1 414.510 2.399 50 0 HEAAMO CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000020531895 568627540 /nfs/dbraw/zinc/62/75/40/568627540.db2.gz PZGBJWWNDFLXTH-INIZCTEOSA-N 1 1 421.538 2.232 50 0 biogenic HEAAMO CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000020531863 568627646 /nfs/dbraw/zinc/62/76/46/568627646.db2.gz HCESNTVZVVVCCP-IYBDPMFKSA-N 1 1 405.539 2.010 50 0 biogenic HEAAMO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)C2=O ZINC000229892700 568715731 /nfs/dbraw/zinc/71/57/31/568715731.db2.gz BUBQRGONOBVTEE-SVQXRNPESA-N 1 1 404.555 2.066 50 0 HEAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000230130998 568850502 /nfs/dbraw/zinc/85/05/02/568850502.db2.gz SRIQUYHEPJEBJS-MSOLQXFVSA-N 1 1 412.534 2.114 50 0 HEAAMO O=C(CNC(=O)c1cccc(Br)c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000031338723 568924384 /nfs/dbraw/zinc/92/43/84/568924384.db2.gz WOKMVUUHNMNTJH-UHFFFAOYSA-N 1 1 416.319 2.353 50 0 HEAAMO CN(CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007987302 568964999 /nfs/dbraw/zinc/96/49/99/568964999.db2.gz JQAPMVSNCFBCJG-GOSISDBHSA-N 1 1 421.950 2.351 50 0 HEAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccco1 ZINC000008313490 568989467 /nfs/dbraw/zinc/98/94/67/568989467.db2.gz GCWWKVSQZMTHNP-GOSISDBHSA-N 1 1 417.487 2.384 50 0 HEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncn2nc(-c3ccccc3)cc2c1=O ZINC000015772612 568998618 /nfs/dbraw/zinc/99/86/18/568998618.db2.gz JZNLWFCPNRKJKM-IBGZPJMESA-N 1 1 422.533 2.329 50 0 HEAAMO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000015773257 568998749 /nfs/dbraw/zinc/99/87/49/568998749.db2.gz DIODJYCMYPDLOE-HSZRJFAPSA-N 1 1 424.520 2.432 50 0 HEAAMO Cc1ccc2nc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)c(F)n2c1 ZINC000670471172 569001480 /nfs/dbraw/zinc/00/14/80/569001480.db2.gz AMPWCGKOCQAXAZ-SSSUMRQXSA-N 1 1 419.504 2.079 50 0 HEAAMO NC(=O)Cn1cc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c2ccccc21 ZINC000104420468 569008636 /nfs/dbraw/zinc/00/86/36/569008636.db2.gz GLPBZQAHBJGMPA-OAQYLSRUSA-N 1 1 406.530 2.195 50 0 HEAAMO NC(=O)Cn1cc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c2ccccc21 ZINC000104420468 569008637 /nfs/dbraw/zinc/00/86/37/569008637.db2.gz GLPBZQAHBJGMPA-OAQYLSRUSA-N 1 1 406.530 2.195 50 0 HEAAMO NC(=O)Cn1cc(C[N@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c2ccccc21 ZINC000104420468 569008638 /nfs/dbraw/zinc/00/86/38/569008638.db2.gz GLPBZQAHBJGMPA-OAQYLSRUSA-N 1 1 406.530 2.195 50 0 HEAAMO COc1ccc(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1F ZINC000012878561 569014050 /nfs/dbraw/zinc/01/40/50/569014050.db2.gz NAWFBAYXDOJIEJ-UHFFFAOYSA-N 1 1 408.470 2.142 50 0 HEAAMO Cc1cccc(Cn2c(C[NH+]3C[C@@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000006199739 569031517 /nfs/dbraw/zinc/03/15/17/569031517.db2.gz ZQPBBOXNOSKIPT-IRXDYDNUSA-N 1 1 409.534 2.268 50 0 HEAAMO Cc1ccccc1-c1cc2n(n1)c(=O)c(CCC(=O)N1CC[NH+](C)CC1)c(C)n2C ZINC000035448731 569037499 /nfs/dbraw/zinc/03/74/99/569037499.db2.gz KGRVBRSCVCUBIB-UHFFFAOYSA-N 1 1 407.518 2.023 50 0 HEAAMO CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485201 569039687 /nfs/dbraw/zinc/03/96/87/569039687.db2.gz GJKYLCLYBYJDCE-VXKWHMMOSA-N 1 1 404.514 2.436 50 0 biogenic HEAAMO CC[N@H+](C)[C@H](C(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)c1ccccc1 ZINC000225427025 569039906 /nfs/dbraw/zinc/03/99/06/569039906.db2.gz DJWVDIFUFDWXTE-AVRDEDQJSA-N 1 1 410.474 2.186 50 0 HEAAMO CC[N@@H+](C)[C@H](C(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)c1ccccc1 ZINC000225427025 569039907 /nfs/dbraw/zinc/03/99/07/569039907.db2.gz DJWVDIFUFDWXTE-AVRDEDQJSA-N 1 1 410.474 2.186 50 0 HEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000524729881 569051654 /nfs/dbraw/zinc/05/16/54/569051654.db2.gz MZOYLBUDHGTLRV-PZJWPPBQSA-N 1 1 412.538 2.324 50 0 HEAAMO COc1cccc(C[C@@H](C(=O)NCCC[N@H+]2CCCC[C@H]2C)n2nnnc2C)c1 ZINC000241644519 569054822 /nfs/dbraw/zinc/05/48/22/569054822.db2.gz PRLNSIINHHTVHG-UZLBHIALSA-N 1 1 400.527 2.155 50 0 HEAAMO COc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c1 ZINC000245226462 569055251 /nfs/dbraw/zinc/05/52/51/569055251.db2.gz YGCDOUMFPHRBGL-RTXPOLOASA-N 1 1 421.428 2.266 50 0 HEAAMO COc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c1 ZINC000245226462 569055252 /nfs/dbraw/zinc/05/52/52/569055252.db2.gz YGCDOUMFPHRBGL-RTXPOLOASA-N 1 1 421.428 2.266 50 0 HEAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CNC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000089512563 569062107 /nfs/dbraw/zinc/06/21/07/569062107.db2.gz SHMHSAIGIFTFGN-VQTJNVASSA-N 1 1 404.580 2.122 50 0 HEAAMO COc1cccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COC(C)(C)C)c1OC ZINC000036103588 569092176 /nfs/dbraw/zinc/09/21/76/569092176.db2.gz IQVYIHSTGMBYET-IBGZPJMESA-N 1 1 410.555 2.014 50 0 HEAAMO CCCNC(=O)c1cnn2c1n(CC)c1c(c2=O)C[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000064967803 569137865 /nfs/dbraw/zinc/13/78/65/569137865.db2.gz SXPGCDIVWBXMRR-UHFFFAOYSA-N 1 1 423.517 2.223 50 0 HEAAMO CCCNC(=O)c1cnn2c1n(CC)c1c(c2=O)C[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000064967803 569137867 /nfs/dbraw/zinc/13/78/67/569137867.db2.gz SXPGCDIVWBXMRR-UHFFFAOYSA-N 1 1 423.517 2.223 50 0 HEAAMO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCC[N@@H+]1CCCC[C@@H]1C)nc2C ZINC000006943723 569186928 /nfs/dbraw/zinc/18/69/28/569186928.db2.gz YTRRBOPLEJVXIL-INIZCTEOSA-N 1 1 422.533 2.190 50 0 HEAAMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000065244041 569204637 /nfs/dbraw/zinc/20/46/37/569204637.db2.gz XCVJZHWMPQMWIY-IEBWSBKVSA-N 1 1 416.566 2.273 50 0 HEAAMO COc1c2c(c(CNC(=O)c3ccc(NC(C)=O)cc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000524730574 569212016 /nfs/dbraw/zinc/21/20/16/569212016.db2.gz NSFBRRDFEMXOIR-UHFFFAOYSA-N 1 1 411.458 2.300 50 0 HEAAMO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000065475256 569231363 /nfs/dbraw/zinc/23/13/63/569231363.db2.gz KNNBOSIAGUCNBE-CABCVRRESA-N 1 1 406.324 2.499 50 0 HEAAMO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000065587309 569236390 /nfs/dbraw/zinc/23/63/90/569236390.db2.gz FFPSISADFSBNFH-AWEZNQCLSA-N 1 1 412.303 2.405 50 0 HEAAMO COCC[NH+]1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000016839186 569264351 /nfs/dbraw/zinc/26/43/51/569264351.db2.gz IWTWDYCSGGEQJQ-UHFFFAOYSA-N 1 1 423.517 2.124 50 0 HEAAMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000252507148 569291295 /nfs/dbraw/zinc/29/12/95/569291295.db2.gz ZQNMPBDFERNXIM-NWDGAFQWSA-N 1 1 402.358 2.381 50 0 HEAAMO COc1cc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)ccc1O ZINC000253404350 569365798 /nfs/dbraw/zinc/36/57/98/569365798.db2.gz HULYJUJNTOBRDH-OAHLLOKOSA-N 1 1 402.447 2.053 50 0 biogenic HEAAMO CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1cnccn1 ZINC000012703958 569383674 /nfs/dbraw/zinc/38/36/74/569383674.db2.gz MNAHPEFLMSDPAN-QFIPXVFZSA-N 1 1 417.598 2.081 50 0 HEAAMO C[NH+]1CCN(C(C)(C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000078964328 569422233 /nfs/dbraw/zinc/42/22/33/569422233.db2.gz BQICYDUFCULYFH-UHFFFAOYSA-N 1 1 422.595 2.216 50 0 HEAAMO COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)cc1 ZINC000079191845 569429322 /nfs/dbraw/zinc/42/93/22/569429322.db2.gz XXZWUSADIJZLJU-GHTZIAJQSA-N 1 1 410.518 2.300 50 0 biogenic HEAAMO Cc1cc(C)nc(N2CCC(C(=O)N3CC[NH+](CCc4ccncc4)CC3)CC2)n1 ZINC000079485248 569432154 /nfs/dbraw/zinc/43/21/54/569432154.db2.gz MWXFMUVXXBYRJY-UHFFFAOYSA-N 1 1 408.550 2.092 50 0 HEAAMO CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N4CC[NH+](C)CC4)ccn3n2)cc1 ZINC000067262335 571061705 /nfs/dbraw/zinc/06/17/05/571061705.db2.gz ZYXGFIRGMMEQRQ-UHFFFAOYSA-N 1 1 407.518 2.451 50 0 HEAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000040089842 571159691 /nfs/dbraw/zinc/15/96/91/571159691.db2.gz WLGDKRHRLJXWAZ-UHFFFAOYSA-N 1 1 415.559 2.158 50 0 HEAAMO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CC[NH+](C)CC1 ZINC000069131510 571206378 /nfs/dbraw/zinc/20/63/78/571206378.db2.gz WDVPPSPIJXSLGC-OAHLLOKOSA-N 1 1 414.369 2.075 50 0 HEAAMO COc1ccccc1NC(=O)C[NH+]1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 ZINC000077100644 571311416 /nfs/dbraw/zinc/31/14/16/571311416.db2.gz WHGTVPGGJBDJCK-UHFFFAOYSA-N 1 1 421.501 2.398 50 0 HEAAMO CCn1ncc(C[N@@H+]2CCOc3ccc(CCC(=O)N4CCOCC4)cc3C2)c1C ZINC000581800075 1078770578 /nfs/dbraw/zinc/77/05/78/1078770578.db2.gz DHYYQBACPHYELF-UHFFFAOYSA-N 1 1 412.534 2.397 50 0 HEAAMO CCn1ncc(C[N@H+]2CCOc3ccc(CCC(=O)N4CCOCC4)cc3C2)c1C ZINC000581800075 1078770589 /nfs/dbraw/zinc/77/05/89/1078770589.db2.gz DHYYQBACPHYELF-UHFFFAOYSA-N 1 1 412.534 2.397 50 0 HEAAMO C[N@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581802380 1078771658 /nfs/dbraw/zinc/77/16/58/1078771658.db2.gz HCHDQRXXVPCXSE-OAQYLSRUSA-N 1 1 408.546 2.494 50 0 HEAAMO COCCn1c(C)c[nH+]c1C[C@@H]1CCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000581805658 1078781608 /nfs/dbraw/zinc/78/16/08/1078781608.db2.gz DZZFELFWBIHMHE-INIZCTEOSA-N 1 1 423.535 2.108 50 0 HEAAMO CCNC(=O)N1CCC(Cc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000581805215 1078781630 /nfs/dbraw/zinc/78/16/30/1078781630.db2.gz FLMRHZIDDMIGLE-UHFFFAOYSA-N 1 1 416.566 2.123 50 0 HEAAMO O=C([C@@H]1CCOC1)N1CCOc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2C1 ZINC000012023455 132353046 /nfs/dbraw/zinc/35/30/46/132353046.db2.gz QOBKMKGEUWXMPL-HXUWFJFHSA-N 1 1 422.529 2.161 50 0 HEAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000045966792 521654021 /nfs/dbraw/zinc/65/40/21/521654021.db2.gz QRAVIBINIPEXNG-IBGZPJMESA-N 1 1 406.958 2.088 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000045966792 521654024 /nfs/dbraw/zinc/65/40/24/521654024.db2.gz QRAVIBINIPEXNG-IBGZPJMESA-N 1 1 406.958 2.088 50 0 HEAAMO COc1cc(OC)cc(C(=O)Nc2nc(C(=O)N3CCC[N@@H+](C)CC3)cs2)c1 ZINC000040356101 522859539 /nfs/dbraw/zinc/85/95/39/522859539.db2.gz BWTXLFACEQTTSF-UHFFFAOYSA-N 1 1 404.492 2.190 50 0 HEAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000032738486 526144107 /nfs/dbraw/zinc/14/41/07/526144107.db2.gz TYCFOBUPEJXVAG-CQSZACIVSA-N 1 1 411.449 2.186 50 0 HEAAMO Cc1cc(=O)oc2cc(OCC(=O)N3CC[NH+](CCc4ccncc4)CC3)ccc12 ZINC000020592216 526149209 /nfs/dbraw/zinc/14/92/09/526149209.db2.gz AQJSYBUPJFSDGU-UHFFFAOYSA-N 1 1 407.470 2.262 50 0 biogenic HEAAMO O=C(CC1CCN(C(=O)c2ccccc2Cl)CC1)NCCC[NH+]1CCOCC1 ZINC000032974434 526366008 /nfs/dbraw/zinc/36/60/08/526366008.db2.gz OVKIORMVWBRYFJ-UHFFFAOYSA-N 1 1 407.942 2.421 50 0 HEAAMO O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044917606 527412465 /nfs/dbraw/zinc/41/24/65/527412465.db2.gz ZYWZFPRVRCFVDU-UHFFFAOYSA-N 1 1 406.461 2.394 50 0 HEAAMO C[NH+]1CCN(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 ZINC000000902021 557114736 /nfs/dbraw/zinc/11/47/36/557114736.db2.gz SPHWZDJQEHTMHZ-UHFFFAOYSA-N 1 1 401.414 2.126 50 0 HEAAMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)ccc1OCC(=O)N1CCCC1 ZINC000004689041 557581412 /nfs/dbraw/zinc/58/14/12/557581412.db2.gz LCKPGIITOXPRTK-UHFFFAOYSA-N 1 1 405.564 2.400 50 0 HEAAMO COc1cccc(N2C[C@@H](NC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)c1 ZINC000022664449 557712290 /nfs/dbraw/zinc/71/22/90/557712290.db2.gz JZEAWJCTUHCQOU-IBGZPJMESA-N 1 1 408.502 2.328 50 0 HEAAMO COc1ccc(N2C[C@@H](NC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000022808044 557825013 /nfs/dbraw/zinc/82/50/13/557825013.db2.gz WXRQTQBDGLLUDY-IBGZPJMESA-N 1 1 408.502 2.328 50 0 HEAAMO COc1ccc(COC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000019720574 558259049 /nfs/dbraw/zinc/25/90/49/558259049.db2.gz CNLLRLCGVLQCBP-OAQYLSRUSA-N 1 1 400.519 2.399 50 0 HEAAMO OCc1ccc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741779 558262219 /nfs/dbraw/zinc/26/22/19/558262219.db2.gz BPDLYGNHKVPCHV-LJQANCHMSA-N 1 1 413.518 2.283 50 0 HEAAMO OCc1ccc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741779 558262220 /nfs/dbraw/zinc/26/22/20/558262220.db2.gz BPDLYGNHKVPCHV-LJQANCHMSA-N 1 1 413.518 2.283 50 0 HEAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1 ZINC000019742742 558262994 /nfs/dbraw/zinc/26/29/94/558262994.db2.gz NNGRDGCQAXTWPN-UHFFFAOYSA-N 1 1 411.481 2.490 50 0 HEAAMO COC[C@@H]1CCCCN1Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000019794417 558283749 /nfs/dbraw/zinc/28/37/49/558283749.db2.gz LWQSUBNLQGVVIC-INIZCTEOSA-N 1 1 405.568 2.174 50 0 HEAAMO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)CC1=O ZINC000011844587 558289269 /nfs/dbraw/zinc/28/92/69/558289269.db2.gz FRUKBHGHFFBOID-ZDUSSCGKSA-N 1 1 404.467 2.063 50 0 HEAAMO CCN1C[C@H](C[N@@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)CC1=O ZINC000011844587 558289271 /nfs/dbraw/zinc/28/92/71/558289271.db2.gz FRUKBHGHFFBOID-ZDUSSCGKSA-N 1 1 404.467 2.063 50 0 HEAAMO CC(C)Oc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 ZINC000019837293 558293145 /nfs/dbraw/zinc/29/31/45/558293145.db2.gz CJQDGXLTVQXQHF-UHFFFAOYSA-N 1 1 420.517 2.449 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 ZINC000019899316 558304864 /nfs/dbraw/zinc/30/48/64/558304864.db2.gz CLPNKWJIKKXCLI-UHFFFAOYSA-N 1 1 415.559 2.262 50 0 HEAAMO Cc1cccn2c(CNCC[N@@H+]3CCCC[C@H]3CO)c(C(=O)N3CCCCC3)nc12 ZINC000019939898 558313680 /nfs/dbraw/zinc/31/36/80/558313680.db2.gz YSBABSQDEBYHIP-IBGZPJMESA-N 1 1 413.566 2.205 50 0 HEAAMO Cc1cccn2c(CNCC[N@H+]3CCCC[C@H]3CO)c(C(=O)N3CCCCC3)nc12 ZINC000019939898 558313681 /nfs/dbraw/zinc/31/36/81/558313681.db2.gz YSBABSQDEBYHIP-IBGZPJMESA-N 1 1 413.566 2.205 50 0 HEAAMO Cc1cccn2c(CNCC[N@@H+]3CCCC[C@@H]3CO)c(C(=O)N3CCCCC3)nc12 ZINC000019939897 558313732 /nfs/dbraw/zinc/31/37/32/558313732.db2.gz YSBABSQDEBYHIP-LJQANCHMSA-N 1 1 413.566 2.205 50 0 HEAAMO Cc1cccn2c(CNCC[N@H+]3CCCC[C@@H]3CO)c(C(=O)N3CCCCC3)nc12 ZINC000019939897 558313733 /nfs/dbraw/zinc/31/37/33/558313733.db2.gz YSBABSQDEBYHIP-LJQANCHMSA-N 1 1 413.566 2.205 50 0 HEAAMO COCCCNc1nc2nonc2nc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000012052291 558314641 /nfs/dbraw/zinc/31/46/41/558314641.db2.gz QKWZIGLIJBRILD-UHFFFAOYSA-N 1 1 415.473 2.313 50 0 HEAAMO C[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2nc3ccccc3[nH]2)CC1 ZINC000020027091 558322642 /nfs/dbraw/zinc/32/26/42/558322642.db2.gz QGUXOVWCWYEARX-OAQYLSRUSA-N 1 1 402.502 2.488 50 0 HEAAMO CCN(CC(=O)N1CC[NH+](CC)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020046206 558327376 /nfs/dbraw/zinc/32/73/76/558327376.db2.gz GOBWNYYLTCWYTL-UHFFFAOYSA-N 1 1 408.351 2.168 50 0 HEAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c1OC ZINC000012135597 558333799 /nfs/dbraw/zinc/33/37/99/558333799.db2.gz ZVUOMNWPCBXZOY-HNNXBMFYSA-N 1 1 401.511 2.187 50 0 HEAAMO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCOCC2)n3C)cc1 ZINC000020533414 558384660 /nfs/dbraw/zinc/38/46/60/558384660.db2.gz WPUXLXLEAGXAEJ-UHFFFAOYSA-N 1 1 424.501 2.474 50 0 HEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c(OC)c1 ZINC000020776143 558412165 /nfs/dbraw/zinc/41/21/65/558412165.db2.gz KLIWMRHIEFMCOK-UHFFFAOYSA-N 1 1 421.501 2.284 50 0 HEAAMO C[NH+]1CCC(N2CCC(Oc3cccc(C(=O)NCC(C)(C)CO)c3)CC2)CC1 ZINC000012706689 558450221 /nfs/dbraw/zinc/45/02/21/558450221.db2.gz HCXCZGHAOCBMEB-UHFFFAOYSA-N 1 1 403.567 2.372 50 0 HEAAMO COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@@H](C(=O)OC)[C@@H]1c1ccc(OC)cc1 ZINC000022145621 558464676 /nfs/dbraw/zinc/46/46/76/558464676.db2.gz GLTUDPWHBQWERP-WOJBJXKFSA-N 1 1 401.459 2.287 50 0 HEAAMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022800133 558513043 /nfs/dbraw/zinc/51/30/43/558513043.db2.gz DENXBJNDHHDCDI-KRWDZBQOSA-N 1 1 400.567 2.425 50 0 HEAAMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022800133 558513045 /nfs/dbraw/zinc/51/30/45/558513045.db2.gz DENXBJNDHHDCDI-KRWDZBQOSA-N 1 1 400.567 2.425 50 0 HEAAMO COc1ccc(CN2CCN(C)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000022851919 558516801 /nfs/dbraw/zinc/51/68/01/558516801.db2.gz XLMYARWGXKYXCR-JOCHJYFZSA-N 1 1 413.562 2.314 50 0 HEAAMO COc1ccc(CN2CCN(C)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000022851919 558516803 /nfs/dbraw/zinc/51/68/03/558516803.db2.gz XLMYARWGXKYXCR-JOCHJYFZSA-N 1 1 413.562 2.314 50 0 HEAAMO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022912879 558520057 /nfs/dbraw/zinc/52/00/57/558520057.db2.gz PKLWQKPETPHPAW-IBGZPJMESA-N 1 1 422.529 2.097 50 0 HEAAMO COc1ccc(-c2nn3c(nc(C)cc3N3CC[NH+](CCO)CC3)c2C)cc1OC ZINC000023118893 558535017 /nfs/dbraw/zinc/53/50/17/558535017.db2.gz UVTCJTWQAYAVIA-UHFFFAOYSA-N 1 1 411.506 2.145 50 0 HEAAMO COC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566233 558541106 /nfs/dbraw/zinc/54/11/06/558541106.db2.gz HPQPUHWWPCAXES-ARGWCVDVSA-N 1 1 417.506 2.463 50 0 HEAAMO S=C(NCCC[NH+]1CCOCC1)N1CCN(c2nsc3ccccc32)CC1 ZINC000013729849 558586073 /nfs/dbraw/zinc/58/60/73/558586073.db2.gz SQEQNZZRSMAFPC-UHFFFAOYSA-N 1 1 405.593 2.015 50 0 HEAAMO CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)CC2)cc1 ZINC000026302112 558658591 /nfs/dbraw/zinc/65/85/91/558658591.db2.gz PIFPKYHTSLQZPI-NRFANRHFSA-N 1 1 402.539 2.078 50 0 HEAAMO COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)C[N@@H+]([C@@H](C)CO)C2)c1 ZINC000014543271 558660828 /nfs/dbraw/zinc/66/08/28/558660828.db2.gz CGKGUINQIPPJTE-WMZHIEFXSA-N 1 1 412.530 2.348 50 0 HEAAMO COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)C[N@H+]([C@@H](C)CO)C2)c1 ZINC000014543271 558660831 /nfs/dbraw/zinc/66/08/31/558660831.db2.gz CGKGUINQIPPJTE-WMZHIEFXSA-N 1 1 412.530 2.348 50 0 HEAAMO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)ccc1F ZINC000014886285 558677413 /nfs/dbraw/zinc/67/74/13/558677413.db2.gz ZISILHFJYPPTMG-UHFFFAOYSA-N 1 1 413.453 2.050 50 0 HEAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)ccc1F ZINC000014886285 558677414 /nfs/dbraw/zinc/67/74/14/558677414.db2.gz ZISILHFJYPPTMG-UHFFFAOYSA-N 1 1 413.453 2.050 50 0 HEAAMO Cc1ccc(C)c(C[N@@H+]2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c1 ZINC000014986937 558693096 /nfs/dbraw/zinc/69/30/96/558693096.db2.gz JDWSEQHHXGRCKL-UHFFFAOYSA-N 1 1 411.550 2.039 50 0 HEAAMO NC(=O)[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000015063063 558705642 /nfs/dbraw/zinc/70/56/42/558705642.db2.gz WQQQLGKJQRQZCF-HNNXBMFYSA-N 1 1 403.552 2.499 50 0 HEAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000015063063 558705644 /nfs/dbraw/zinc/70/56/44/558705644.db2.gz WQQQLGKJQRQZCF-HNNXBMFYSA-N 1 1 403.552 2.499 50 0 HEAAMO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000072284305 558715749 /nfs/dbraw/zinc/71/57/49/558715749.db2.gz UVCAPFWPOGKVKN-YOEHRIQHSA-N 1 1 415.456 2.452 50 0 HEAAMO O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NCCC[NH+]1CCOCC1 ZINC000033031655 558854851 /nfs/dbraw/zinc/85/48/51/558854851.db2.gz POBKIJDLODYQSL-UHFFFAOYSA-N 1 1 414.481 2.012 50 0 HEAAMO CCNC(=O)N1C[C@H](C(=O)N2CC[NH+](C)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097954307 558865553 /nfs/dbraw/zinc/86/55/53/558865553.db2.gz CLDBVJKTTFZGSO-SJORKVTESA-N 1 1 412.456 2.224 50 0 HEAAMO CC(=O)N1c2ccccc2[C@@]2(N=C(Nc3ccc(Cl)c(Cl)c3)NC(=[NH2+])N2)C1=O ZINC000019330398 558868149 /nfs/dbraw/zinc/86/81/49/558868149.db2.gz JZCAFJNYVIESPC-GOSISDBHSA-N 1 1 417.256 2.425 50 0 HEAAMO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cc1 ZINC000019334373 558869525 /nfs/dbraw/zinc/86/95/25/558869525.db2.gz SJJCYMHQUUGOTI-DNQXCXABSA-N 1 1 407.558 2.431 50 0 HEAAMO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CSc3nncn3C)C2)CC1 ZINC000055183219 558875270 /nfs/dbraw/zinc/87/52/70/558875270.db2.gz SUNLTCOKCXUVLM-GOSISDBHSA-N 1 1 414.579 2.029 50 0 HEAAMO COc1cccc(CNC(=O)N2CC[NH+](CCn3c(C)nc4cccnc43)CC2)c1 ZINC000033139711 558891392 /nfs/dbraw/zinc/89/13/92/558891392.db2.gz ABBFFCRXGJFVRX-UHFFFAOYSA-N 1 1 408.506 2.276 50 0 HEAAMO CC[NH+]1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000019527847 558909113 /nfs/dbraw/zinc/90/91/13/558909113.db2.gz MMBJDMRGRCOJNQ-UHFFFAOYSA-N 1 1 417.531 2.055 50 0 HEAAMO CCN1CCn2c(C)nc(C(=O)N3CCC[N@@H+](CC4CC4)[C@@H](C(C)C)C3)c2C1=O ZINC000071753791 558909261 /nfs/dbraw/zinc/90/92/61/558909261.db2.gz UXYLNWVSCADWKP-GOSISDBHSA-N 1 1 401.555 2.250 50 0 HEAAMO CN1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1 ZINC000071755429 558909527 /nfs/dbraw/zinc/90/95/27/558909527.db2.gz VSTWAWABDFAOFW-LJQANCHMSA-N 1 1 404.599 2.044 50 0 HEAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cccc4nccnc43)CC2)C1 ZINC000071756910 558909866 /nfs/dbraw/zinc/90/98/66/558909866.db2.gz ZOPLWKFBAJTIAY-MRXNPFEDSA-N 1 1 407.518 2.225 50 0 HEAAMO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)c1 ZINC000072115523 558926810 /nfs/dbraw/zinc/92/68/10/558926810.db2.gz DIAUSCAMYZUIBZ-UHFFFAOYSA-N 1 1 409.538 2.199 50 0 HEAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000065365901 558976620 /nfs/dbraw/zinc/97/66/20/558976620.db2.gz HBRQWRQOVGYMEX-UHFFFAOYSA-N 1 1 407.434 2.054 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)ncn1 ZINC000067612481 558988949 /nfs/dbraw/zinc/98/89/49/558988949.db2.gz POXOLTVZZLMMJV-UHFFFAOYSA-N 1 1 412.519 2.098 50 0 HEAAMO COCC[N@@H+](C)CCN1CC2(CCN(C(=O)c3coc4ccccc34)CC2)OC1=O ZINC000077406312 559003838 /nfs/dbraw/zinc/00/38/38/559003838.db2.gz SFIOHUYPCHTDDN-UHFFFAOYSA-N 1 1 415.490 2.438 50 0 HEAAMO CCc1nnc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)o1 ZINC000082091474 559037037 /nfs/dbraw/zinc/03/70/37/559037037.db2.gz SIBDCIIBHOFMAF-QGZVFWFLSA-N 1 1 412.538 2.020 50 0 HEAAMO CN(CCn1cccn1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082099645 559038078 /nfs/dbraw/zinc/03/80/78/559038078.db2.gz JTNIPBAWRZCNFO-NRFANRHFSA-N 1 1 410.566 2.113 50 0 HEAAMO CSCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082120949 559039568 /nfs/dbraw/zinc/03/95/68/559039568.db2.gz BKSFYWOMIKMATO-SFHVURJKSA-N 1 1 404.580 2.154 50 0 HEAAMO CCc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 ZINC000082126287 559039912 /nfs/dbraw/zinc/03/99/12/559039912.db2.gz RUMBRFCLAJMJIT-GOSISDBHSA-N 1 1 408.550 2.431 50 0 HEAAMO CCN(CC)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082138298 559040428 /nfs/dbraw/zinc/04/04/28/559040428.db2.gz YSGFDSORLVMIPN-IBGZPJMESA-N 1 1 401.555 2.336 50 0 HEAAMO O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000082230346 559042620 /nfs/dbraw/zinc/04/26/20/559042620.db2.gz VNCCCAHTBKUNIC-UHFFFAOYSA-N 1 1 421.423 2.294 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000082230653 559042960 /nfs/dbraw/zinc/04/29/60/559042960.db2.gz ZEZMYEOWRCEDQN-UHFFFAOYSA-N 1 1 401.536 2.286 50 0 HEAAMO COc1cccc(-c2ncc(C[N@H+]3C[C@H](CO)[C@H](CN4CCOCC4)C3)s2)c1 ZINC000091780337 559073567 /nfs/dbraw/zinc/07/35/67/559073567.db2.gz FPMLILYIMUQQTN-QZTJIDSGSA-N 1 1 403.548 2.191 50 0 HEAAMO Cc1nnc(SCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000096436036 559110227 /nfs/dbraw/zinc/11/02/27/559110227.db2.gz SJTSNIZHQMNVAZ-SFHVURJKSA-N 1 1 419.526 2.422 50 0 HEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000248146942 559265384 /nfs/dbraw/zinc/26/53/84/559265384.db2.gz FJSNFBUCWFRVIX-KRWDZBQOSA-N 1 1 406.596 2.334 50 0 HEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000248146942 559265387 /nfs/dbraw/zinc/26/53/87/559265387.db2.gz FJSNFBUCWFRVIX-KRWDZBQOSA-N 1 1 406.596 2.334 50 0 HEAAMO COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21c2cc(C)ccc2NC1=O ZINC000061997613 560565061 /nfs/dbraw/zinc/56/50/61/560565061.db2.gz XHJOIIABHPKMBG-QLBZUPSYSA-N 1 1 417.465 2.435 50 0 biogenic HEAAMO CCc1nnc(NC(=O)CCC(=O)N2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000017208149 560703930 /nfs/dbraw/zinc/70/39/30/560703930.db2.gz QQAMBVSFQADKRC-UHFFFAOYSA-N 1 1 401.536 2.206 50 0 HEAAMO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000105352085 560870903 /nfs/dbraw/zinc/87/09/03/560870903.db2.gz WDEINBOUOXDXJQ-VKDGWMQASA-N 1 1 401.466 2.156 50 0 HEAAMO O=C(Cn1cc(Br)ccc1=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000046028595 568424511 /nfs/dbraw/zinc/42/45/11/568424511.db2.gz VWIMCHKLRYYLBU-UHFFFAOYSA-N 1 1 404.308 2.345 50 0 HEAAMO COc1ccc(C(=O)N2CCN(C(=O)[C@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000048274473 568435319 /nfs/dbraw/zinc/43/53/19/568435319.db2.gz KTRQWERWMXIXCI-UEXGIBASSA-N 1 1 417.550 2.113 50 0 HEAAMO COc1ccc(C(=O)N2CCN(C(=O)[C@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000048274473 568435320 /nfs/dbraw/zinc/43/53/20/568435320.db2.gz KTRQWERWMXIXCI-UEXGIBASSA-N 1 1 417.550 2.113 50 0 HEAAMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000051420103 568456016 /nfs/dbraw/zinc/45/60/16/568456016.db2.gz GNFIYMBJKXDTOO-IBGZPJMESA-N 1 1 410.518 2.171 50 0 HEAAMO CCc1c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cnn1-c1ccc(OC)nn1 ZINC000024664658 568456365 /nfs/dbraw/zinc/45/63/65/568456365.db2.gz VZJDPQSSDJVAGM-UHFFFAOYSA-N 1 1 420.517 2.234 50 0 HEAAMO COC(=O)[C@]1(NCC(=O)N2CCc3ccccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC000095454692 568616473 /nfs/dbraw/zinc/61/64/73/568616473.db2.gz IQVDGYMVGGDONE-DEOSSOPVSA-N 1 1 407.514 2.373 50 0 HEAAMO COC(=O)[C@]1(NCC(=O)N2CCc3ccccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095454692 568616474 /nfs/dbraw/zinc/61/64/74/568616474.db2.gz IQVDGYMVGGDONE-DEOSSOPVSA-N 1 1 407.514 2.373 50 0 HEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2 ZINC000020531850 568627606 /nfs/dbraw/zinc/62/76/06/568627606.db2.gz MZSYZWPAKUMPBG-SFHVURJKSA-N 1 1 405.539 2.012 50 0 biogenic HEAAMO O[C@@H](COc1ccccc1)C[NH+]1CCN(Cc2ccc(Br)cn2)CC1 ZINC000095958410 568669700 /nfs/dbraw/zinc/66/97/00/568669700.db2.gz GCOSNYHDPNMCCU-GOSISDBHSA-N 1 1 406.324 2.402 50 0 HEAAMO C[NH+](C)CCN(C(=O)/C=C\c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000096054740 568687274 /nfs/dbraw/zinc/68/72/74/568687274.db2.gz VOMNMPJKHPTBCN-RNZFLTOJSA-N 1 1 421.382 2.101 50 0 HEAAMO CN1C(=O)CO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000096182872 568702808 /nfs/dbraw/zinc/70/28/08/568702808.db2.gz AVUXUTQRODOWGT-FCHUYYIVSA-N 1 1 411.477 2.068 50 0 HEAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)NCC[N@@H+](C)Cc3ccccc3)cc2)c1N ZINC000021652072 568729796 /nfs/dbraw/zinc/72/97/96/568729796.db2.gz GQJXHDIHMFKZDA-UHFFFAOYSA-N 1 1 421.501 2.493 50 0 HEAAMO COc1ccc(CNc2nc(NCCC[NH+]3CCOCC3)nc3c2cnn3C)cc1 ZINC000021929404 568761535 /nfs/dbraw/zinc/76/15/35/568761535.db2.gz RDMDDTPYDCXMNK-UHFFFAOYSA-N 1 1 411.510 2.118 50 0 HEAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NC2CCCCC2)CC1 ZINC000022460023 568768112 /nfs/dbraw/zinc/76/81/12/568768112.db2.gz TZYWEABBBFIBJV-VQIMIIECSA-N 1 1 406.596 2.380 50 0 HEAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNC(=O)COc3nccc(C)n3)n2)cc1 ZINC000056907067 568821060 /nfs/dbraw/zinc/82/10/60/568821060.db2.gz PLPMHSOXKVJCQL-UHFFFAOYSA-N 1 1 423.477 2.243 50 0 HEAAMO COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2=O)c(OC)c1 ZINC000230207344 568855010 /nfs/dbraw/zinc/85/50/10/568855010.db2.gz ZRKBYTNENHBEQG-LMMKCTJWSA-N 1 1 415.534 2.437 50 0 biogenic HEAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NCCN1C(=O)CSC1=O ZINC000012569534 568861459 /nfs/dbraw/zinc/86/14/59/568861459.db2.gz YSXQNDIRPNBAHO-UHFFFAOYSA-N 1 1 418.544 2.287 50 0 HEAAMO Cc1ncc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cn1 ZINC000299786739 568875541 /nfs/dbraw/zinc/87/55/41/568875541.db2.gz QEUWKYRRHMENJB-OAQYLSRUSA-N 1 1 414.481 2.195 50 0 HEAAMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C ZINC000058155756 568893127 /nfs/dbraw/zinc/89/31/27/568893127.db2.gz SNCUYUUHOFLXIJ-KRWDZBQOSA-N 1 1 412.600 2.440 50 0 HEAAMO COc1ccccc1CCC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670452072 568927097 /nfs/dbraw/zinc/92/70/97/568927097.db2.gz LDAZDLZEDYZQRG-SILAFFCESA-N 1 1 405.542 2.312 50 0 HEAAMO COC(=O)C[C@@H](c1cnn2cccnc12)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000218231350 568928497 /nfs/dbraw/zinc/92/84/97/568928497.db2.gz CFERJZCQSCFNJW-HNNXBMFYSA-N 1 1 412.446 2.069 50 0 HEAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C(N)=O)C1 ZINC000004088589 568941302 /nfs/dbraw/zinc/94/13/02/568941302.db2.gz OCDWHYKUQSCUCR-HNNXBMFYSA-N 1 1 401.488 2.392 50 0 HEAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C(N)=O)C1 ZINC000004088589 568941305 /nfs/dbraw/zinc/94/13/05/568941305.db2.gz OCDWHYKUQSCUCR-HNNXBMFYSA-N 1 1 401.488 2.392 50 0 HEAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cccc2c1CCC2=O ZINC000670460684 568949132 /nfs/dbraw/zinc/94/91/32/568949132.db2.gz DULDTFCIOOFCBD-AWBGBBLSSA-N 1 1 401.510 2.113 50 0 HEAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc2c1CCC2=O ZINC000670460684 568949134 /nfs/dbraw/zinc/94/91/34/568949134.db2.gz DULDTFCIOOFCBD-AWBGBBLSSA-N 1 1 401.510 2.113 50 0 HEAAMO O=C(Cc1c[nH]c2ccccc12)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670463568 568961145 /nfs/dbraw/zinc/96/11/45/568961145.db2.gz DBFOJKUIXZQHRI-WDEWVQCLSA-N 1 1 400.526 2.394 50 0 HEAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)c(C)c1 ZINC000015671229 568961603 /nfs/dbraw/zinc/96/16/03/568961603.db2.gz FRMJUGAEPDIKFD-UHFFFAOYSA-N 1 1 403.552 2.287 50 0 HEAAMO CN(CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007987303 568964985 /nfs/dbraw/zinc/96/49/85/568964985.db2.gz JQAPMVSNCFBCJG-SFHVURJKSA-N 1 1 421.950 2.351 50 0 HEAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008037739 568969872 /nfs/dbraw/zinc/96/98/72/568969872.db2.gz JZAIFYAPDRWYGF-FQEVSTJZSA-N 1 1 413.543 2.475 50 0 HEAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3nc(C)cs3)s2)CC1 ZINC000015731328 568981847 /nfs/dbraw/zinc/98/18/47/568981847.db2.gz OXZMLBBBBHZOSB-UHFFFAOYSA-N 1 1 403.537 2.488 50 0 HEAAMO Cc1nc(NCCNS(=O)(=O)c2ccc3cccc4c3c2CC4)cc(N(C)C)[nH+]1 ZINC000038488304 568997625 /nfs/dbraw/zinc/99/76/25/568997625.db2.gz ROPIGFHOWLQCJF-UHFFFAOYSA-N 1 1 411.531 2.493 50 0 HEAAMO COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1 ZINC000017044055 569030511 /nfs/dbraw/zinc/03/05/11/569030511.db2.gz XGMSQGKASJXCND-AUSIDOKSSA-N 1 1 420.469 2.481 50 0 HEAAMO COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1 ZINC000017044055 569030513 /nfs/dbraw/zinc/03/05/13/569030513.db2.gz XGMSQGKASJXCND-AUSIDOKSSA-N 1 1 420.469 2.481 50 0 HEAAMO C/C=C/CN1[NH+]=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000008704233 569031972 /nfs/dbraw/zinc/03/19/72/569031972.db2.gz KPLKYEVYAYZMQN-GJBLVYBDSA-N 1 1 410.453 2.417 50 0 HEAAMO CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013011297 569050183 /nfs/dbraw/zinc/05/01/83/569050183.db2.gz UCKZFIHJILGDNJ-SFHVURJKSA-N 1 1 401.532 2.476 50 0 HEAAMO COc1ccc(-c2noc(-c3ccc(NCCC[NH+]4CCN(C)CC4)nn3)n2)cc1 ZINC000064838043 569106151 /nfs/dbraw/zinc/10/61/51/569106151.db2.gz BNQPGPFAQLNJDN-UHFFFAOYSA-N 1 1 409.494 2.252 50 0 HEAAMO CCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000036251080 569119835 /nfs/dbraw/zinc/11/98/35/569119835.db2.gz GCGOJUVOMFLLJJ-OAQYLSRUSA-N 1 1 417.550 2.499 50 0 HEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839871 569151180 /nfs/dbraw/zinc/15/11/80/569151180.db2.gz LMHVELFNZZDADC-OAHLLOKOSA-N 1 1 416.547 2.369 50 0 HEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)C1 ZINC000006839838 569151212 /nfs/dbraw/zinc/15/12/12/569151212.db2.gz RIUQQNMSTBTXQE-OAHLLOKOSA-N 1 1 416.547 2.226 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000065210368 569196135 /nfs/dbraw/zinc/19/61/35/569196135.db2.gz AZXMDAQXTIAHAP-UHFFFAOYSA-N 1 1 411.477 2.481 50 0 HEAAMO C[N@@H+](CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1)C1CC1 ZINC000170606119 569244344 /nfs/dbraw/zinc/24/43/44/569244344.db2.gz ISQXRBWYWJLBNZ-SFHVURJKSA-N 1 1 411.502 2.160 50 0 HEAAMO CC(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000249691543 569255455 /nfs/dbraw/zinc/25/54/55/569255455.db2.gz LOWAXNWMGRPBTM-GFEQUFNTSA-N 1 1 401.617 2.356 50 0 HEAAMO CC(C)S(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000249691543 569255456 /nfs/dbraw/zinc/25/54/56/569255456.db2.gz LOWAXNWMGRPBTM-GFEQUFNTSA-N 1 1 401.617 2.356 50 0 HEAAMO O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000013808276 569257918 /nfs/dbraw/zinc/25/79/18/569257918.db2.gz XDRSTNNDQQKKHD-UHFFFAOYSA-N 1 1 420.488 2.436 50 0 HEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C[C@@H](C)O1 ZINC000089930282 569268904 /nfs/dbraw/zinc/26/89/04/569268904.db2.gz SQZFARPLNGKJDY-MBOZVWFJSA-N 1 1 407.530 2.203 50 0 HEAAMO O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017179093 569276398 /nfs/dbraw/zinc/27/63/98/569276398.db2.gz GSQQHDGPNZIURK-KRWDZBQOSA-N 1 1 410.543 2.113 50 0 HEAAMO CCN(CC)C(=O)[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1OC(C)=O ZINC000000896449 569276826 /nfs/dbraw/zinc/27/68/26/569276826.db2.gz JSZILQVIPPROJI-QYZOEREBSA-N 1 1 404.507 2.423 50 0 world HEAAMO O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000252570576 569294314 /nfs/dbraw/zinc/29/43/14/569294314.db2.gz WUMOGGAJJHRNBD-WDSOQIARSA-N 1 1 416.497 2.221 50 0 HEAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007641432 569298259 /nfs/dbraw/zinc/29/82/59/569298259.db2.gz JHCCCUVYPIHYOQ-CQSZACIVSA-N 1 1 419.503 2.125 50 0 HEAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007641432 569298260 /nfs/dbraw/zinc/29/82/60/569298260.db2.gz JHCCCUVYPIHYOQ-CQSZACIVSA-N 1 1 419.503 2.125 50 0 HEAAMO COc1ccc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)c(OC)c1 ZINC000253403915 569365906 /nfs/dbraw/zinc/36/59/06/569365906.db2.gz HOGZIOVYJSHYEI-QGZVFWFLSA-N 1 1 416.474 2.356 50 0 biogenic HEAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979055 569372914 /nfs/dbraw/zinc/37/29/14/569372914.db2.gz UUAOBMKNZCBXPM-DJJJIMSYSA-N 1 1 401.463 2.461 50 0 HEAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979055 569372915 /nfs/dbraw/zinc/37/29/15/569372915.db2.gz UUAOBMKNZCBXPM-DJJJIMSYSA-N 1 1 401.463 2.461 50 0 HEAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000078996085 569423145 /nfs/dbraw/zinc/42/31/45/569423145.db2.gz ZGGGOVLSINHQOX-INIZCTEOSA-N 1 1 402.366 2.383 50 0 HEAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000079048589 569425306 /nfs/dbraw/zinc/42/53/06/569425306.db2.gz QQAUNSSWJJIMDP-CYBMUJFWSA-N 1 1 424.482 2.446 50 0 HEAAMO CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2cccc3ccccc32)n(C)c1=O ZINC000008725397 571108239 /nfs/dbraw/zinc/10/82/39/571108239.db2.gz RCRJKGYKJNAZDD-UHFFFAOYSA-N 1 1 402.458 2.466 50 0 HEAAMO COc1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000008729059 571108972 /nfs/dbraw/zinc/10/89/72/571108972.db2.gz RQFBDKMEPNBJEF-LJQANCHMSA-N 1 1 424.545 2.298 50 0 HEAAMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000040154237 571201423 /nfs/dbraw/zinc/20/14/23/571201423.db2.gz SSQNWPPTKHPCNA-GOSISDBHSA-N 1 1 407.561 2.281 50 0 HEAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2coc3ccccc3c2=O)N1)OCCCO4 ZINC000009318775 571247774 /nfs/dbraw/zinc/24/77/74/571247774.db2.gz BUPUHCIDMDTPHH-IBGZPJMESA-N 1 1 403.398 2.400 50 0 HEAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000071850333 571303521 /nfs/dbraw/zinc/30/35/21/571303521.db2.gz SRIQUYHEPJEBJS-QZTJIDSGSA-N 1 1 412.534 2.114 50 0 HEAAMO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC000581787469 1078760856 /nfs/dbraw/zinc/76/08/56/1078760856.db2.gz SLXZPBHQBBXICY-QFIPXVFZSA-N 1 1 407.514 2.067 50 0 HEAAMO COc1ccc(CCC(=O)N2CCC3(C[C@H](CN4CCOCC4)[N@@H+](C)C3)CC2)cc1 ZINC000581802629 1078772374 /nfs/dbraw/zinc/77/23/74/1078772374.db2.gz LTFITARAAPRRGN-OAQYLSRUSA-N 1 1 415.578 2.273 50 0 HEAAMO COCCO[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(C)nn3C)CC2)C12CCCCC2 ZINC000581802447 1078772546 /nfs/dbraw/zinc/77/25/46/1078772546.db2.gz KKCFESCHYJJKJA-FQEVSTJZSA-N 1 1 404.555 2.383 50 0 HEAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(c2ccccn2)CC1 ZINC000007362311 132324079 /nfs/dbraw/zinc/32/40/79/132324079.db2.gz SFRMOKHVQRZSTE-IBGZPJMESA-N 1 1 408.502 2.339 50 0 HEAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(c2ccccn2)CC1 ZINC000007362311 132324081 /nfs/dbraw/zinc/32/40/81/132324081.db2.gz SFRMOKHVQRZSTE-IBGZPJMESA-N 1 1 408.502 2.339 50 0 HEAAMO CN(C)c1nc(N2CC[NH+](C)CC2)nc2c1CN(C(=O)c1ccccc1Cl)CC2 ZINC000034676733 132794301 /nfs/dbraw/zinc/79/43/01/132794301.db2.gz ILJSOMHTLRXGJG-UHFFFAOYSA-N 1 1 414.941 2.146 50 0 HEAAMO CCn1cc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538931 523371235 /nfs/dbraw/zinc/37/12/35/523371235.db2.gz GSQRRZWGMWPFMM-OAQYLSRUSA-N 1 1 411.550 2.414 50 0 HEAAMO CCn1cc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538931 523371239 /nfs/dbraw/zinc/37/12/39/523371239.db2.gz GSQRRZWGMWPFMM-OAQYLSRUSA-N 1 1 411.550 2.414 50 0 HEAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O ZINC000032930744 524113825 /nfs/dbraw/zinc/11/38/25/524113825.db2.gz NQDGBMTXHMKOQQ-QGZVFWFLSA-N 1 1 405.502 2.482 50 0 HEAAMO Cc1cccc(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1 ZINC000020600821 524408553 /nfs/dbraw/zinc/40/85/53/524408553.db2.gz SOBHVDNIPVTZBC-UHFFFAOYSA-N 1 1 404.518 2.289 50 0 HEAAMO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)c1C ZINC000032753282 524560004 /nfs/dbraw/zinc/56/00/04/524560004.db2.gz JERMANAENVLXHE-HXUWFJFHSA-N 1 1 424.545 2.392 50 0 HEAAMO CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677540 557365239 /nfs/dbraw/zinc/36/52/39/557365239.db2.gz VVYHBXRCQCDUMT-QGZVFWFLSA-N 1 1 422.913 2.095 50 0 HEAAMO O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000011775717 558274781 /nfs/dbraw/zinc/27/47/81/558274781.db2.gz DRFBIMYQGFYIGH-JOCHJYFZSA-N 1 1 412.578 2.148 50 0 HEAAMO Cc1ccccc1OC[C@H](O)CN1CC[NH+](C[C@@H](O)COc2ccccc2C)CC1 ZINC000019788890 558281983 /nfs/dbraw/zinc/28/19/83/558281983.db2.gz DMEZKSJENAMQBF-FGZHOGPDSA-N 1 1 414.546 2.101 50 0 HEAAMO Cc1ccc(OCCOCC[NH+]2CCN(C)CC2)c(I)c1 ZINC000019792475 558283459 /nfs/dbraw/zinc/28/34/59/558283459.db2.gz AIXGMCRIBSMLHB-UHFFFAOYSA-N 1 1 404.292 2.242 50 0 HEAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c1OC ZINC000012135595 558333791 /nfs/dbraw/zinc/33/37/91/558333791.db2.gz ZVUOMNWPCBXZOY-OAHLLOKOSA-N 1 1 401.511 2.187 50 0 HEAAMO CCN1CCN(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)CC1 ZINC000020324830 558355546 /nfs/dbraw/zinc/35/55/46/558355546.db2.gz NWVCCOHDIMUCSY-OAQYLSRUSA-N 1 1 416.610 2.046 50 0 HEAAMO CCN1CCN(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)CC1 ZINC000020324830 558355548 /nfs/dbraw/zinc/35/55/48/558355548.db2.gz NWVCCOHDIMUCSY-OAQYLSRUSA-N 1 1 416.610 2.046 50 0 HEAAMO CCOc1cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H](CCC(=O)OC)C2)ccc1O ZINC000020351912 558356932 /nfs/dbraw/zinc/35/69/32/558356932.db2.gz UEERLYDYUAICBS-RBUKOAKNSA-N 1 1 406.523 2.267 50 0 HEAAMO Cc1c(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455137 558368875 /nfs/dbraw/zinc/36/88/75/558368875.db2.gz UWPUJFQOVWLCIS-OAQYLSRUSA-N 1 1 411.550 2.239 50 0 HEAAMO Cc1c(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455137 558368879 /nfs/dbraw/zinc/36/88/79/558368879.db2.gz UWPUJFQOVWLCIS-OAQYLSRUSA-N 1 1 411.550 2.239 50 0 HEAAMO CCN1CC[NH+](C[C@H](O)COc2cccc(CN(C)Cc3csc(C)n3)c2)CC1 ZINC000020782381 558413244 /nfs/dbraw/zinc/41/32/44/558413244.db2.gz VNZZIPLVURRNSP-NRFANRHFSA-N 1 1 418.607 2.461 50 0 HEAAMO COc1cccc(-c2nc3ccc(C(=O)N4CC[NH+](CCC(N)=O)CC4)cc3o2)c1 ZINC000020907912 558421459 /nfs/dbraw/zinc/42/14/59/558421459.db2.gz QWNGDVDGLPZIBL-UHFFFAOYSA-N 1 1 408.458 2.137 50 0 HEAAMO C[C@@H](CCn1cccn1)NC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020997057 558427012 /nfs/dbraw/zinc/42/70/12/558427012.db2.gz GBKBIYYIOLWTLG-IBGZPJMESA-N 1 1 422.533 2.398 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)Cc3cccc(F)c3)CC2)cc1 ZINC000013057314 558508865 /nfs/dbraw/zinc/50/88/65/558508865.db2.gz BQEDMALIWDASFS-UHFFFAOYSA-N 1 1 419.522 2.099 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)Cc3cccc(F)c3)CC2)cc1 ZINC000013057314 558508866 /nfs/dbraw/zinc/50/88/66/558508866.db2.gz BQEDMALIWDASFS-UHFFFAOYSA-N 1 1 419.522 2.099 50 0 HEAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022925412 558523125 /nfs/dbraw/zinc/52/31/25/558523125.db2.gz UEVKTKPWWHWAQM-KRWDZBQOSA-N 1 1 420.513 2.113 50 0 HEAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH+]3CCCCCC3)cc2OC)CC1 ZINC000023360742 558552196 /nfs/dbraw/zinc/55/21/96/558552196.db2.gz FHKPFJAZNCQADV-NRFANRHFSA-N 1 1 405.583 2.448 50 0 HEAAMO O=C(CSc1nnnn1C1CCCC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023761412 558574348 /nfs/dbraw/zinc/57/43/48/558574348.db2.gz ZZFIFYRMLNXRON-UHFFFAOYSA-N 1 1 416.551 2.029 50 0 HEAAMO O=S(=O)(c1ccc(NCc2ccccc2C[NH+]2CCOCC2)nc1)N1CCCC1 ZINC000023818839 558577094 /nfs/dbraw/zinc/57/70/94/558577094.db2.gz CLGOKTXCIUXETI-UHFFFAOYSA-N 1 1 416.547 2.310 50 0 HEAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1 ZINC000024607089 558602785 /nfs/dbraw/zinc/60/27/85/558602785.db2.gz LVSZSMDBJWYZHI-UHFFFAOYSA-N 1 1 413.971 2.046 50 0 HEAAMO CCn1ncc(C2=NC(NN[C@H]3OC(=O)c4ccccc43)=[NH+][C@@H](C(F)F)C2)c1C ZINC000013960836 558608837 /nfs/dbraw/zinc/60/88/37/558608837.db2.gz NZBHXHHACCFLON-WBVHZDCISA-N 1 1 402.405 2.357 50 0 HEAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)c4ccc[nH]c4=O)CC3)n2)cc1 ZINC000024823348 558613612 /nfs/dbraw/zinc/61/36/12/558613612.db2.gz JEZDQEFAMYXCEI-UHFFFAOYSA-N 1 1 407.474 2.124 50 0 HEAAMO O=C([C@@H]1CCCO1)N1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000024947383 558621986 /nfs/dbraw/zinc/62/19/86/558621986.db2.gz VMBACPRUKBNBLK-MBSDFSHPSA-N 1 1 407.514 2.479 50 0 HEAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000027132031 558669804 /nfs/dbraw/zinc/66/98/04/558669804.db2.gz BNFLHDKYATVXAM-INIZCTEOSA-N 1 1 411.568 2.321 50 0 HEAAMO CCn1cc(C[NH2+]CC2=NO[C@@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)c(C)n1 ZINC000015084114 558719950 /nfs/dbraw/zinc/71/99/50/558719950.db2.gz CBDGBVAQYVFIMX-KRWDZBQOSA-N 1 1 416.478 2.435 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000022937563 558725890 /nfs/dbraw/zinc/72/58/90/558725890.db2.gz OFAYKDGGODNERR-KRWDZBQOSA-N 1 1 416.595 2.052 50 0 HEAAMO O=c1c2c(nc3sc(SCc4ccncc4)nn31)CC[N@@H+](C[C@H]1CCCO1)C2 ZINC000015414327 558738936 /nfs/dbraw/zinc/73/89/36/558738936.db2.gz AWKVTBAJIURFGV-CQSZACIVSA-N 1 1 415.544 2.375 50 0 HEAAMO O=c1c2c(nc3sc(SCc4ccncc4)nn31)CC[N@H+](C[C@H]1CCCO1)C2 ZINC000015414327 558738937 /nfs/dbraw/zinc/73/89/37/558738937.db2.gz AWKVTBAJIURFGV-CQSZACIVSA-N 1 1 415.544 2.375 50 0 HEAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)NC(=O)N[C@H]1CC ZINC000034887471 558786604 /nfs/dbraw/zinc/78/66/04/558786604.db2.gz LKUWUFHSJBLAIG-RDJZCZTQSA-N 1 1 414.506 2.246 50 0 HEAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)NC(=O)N[C@H]1CC ZINC000034887471 558786606 /nfs/dbraw/zinc/78/66/06/558786606.db2.gz LKUWUFHSJBLAIG-RDJZCZTQSA-N 1 1 414.506 2.246 50 0 HEAAMO CN(CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034892109 558787158 /nfs/dbraw/zinc/78/71/58/558787158.db2.gz QUAIFCCTKIMVDK-IBGZPJMESA-N 1 1 421.950 2.476 50 0 HEAAMO CN(CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034892109 558787161 /nfs/dbraw/zinc/78/71/61/558787161.db2.gz QUAIFCCTKIMVDK-IBGZPJMESA-N 1 1 421.950 2.476 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCCN(C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC000016427498 558790768 /nfs/dbraw/zinc/79/07/68/558790768.db2.gz IOSCWJMKROTXTO-HXUWFJFHSA-N 1 1 409.596 2.048 50 0 HEAAMO O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000032987918 558807952 /nfs/dbraw/zinc/80/79/52/558807952.db2.gz WVHCVSZRPIYTQO-DHIUTWEWSA-N 1 1 421.541 2.351 50 0 HEAAMO O=C(c1cnc2ccccn12)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762010 558910270 /nfs/dbraw/zinc/91/02/70/558910270.db2.gz HOAHQYPFKVLMGS-SFHVURJKSA-N 1 1 409.534 2.273 50 0 HEAAMO C[N@H+]1CCCN(c2ccc(NC(=O)NCc3cccnc3-n3cncn3)cc2F)CC1 ZINC000058201365 558911381 /nfs/dbraw/zinc/91/13/81/558911381.db2.gz BXGRIVFHWXLUDE-UHFFFAOYSA-N 1 1 424.484 2.265 50 0 HEAAMO Cc1ncnc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c1C ZINC000071774900 558911549 /nfs/dbraw/zinc/91/15/49/558911549.db2.gz WZMHUUQBPJMSRV-HXUWFJFHSA-N 1 1 408.550 2.486 50 0 HEAAMO O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000060061267 558940756 /nfs/dbraw/zinc/94/07/56/558940756.db2.gz JKVZUNURVFLIHJ-SFHVURJKSA-N 1 1 405.564 2.147 50 0 HEAAMO COc1ccc(CC(=O)N2CCC[N@@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)cc1Cl 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C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C1 ZINC000014067149 559147745 /nfs/dbraw/zinc/14/77/45/559147745.db2.gz DRJHJVABQZYSHW-CALCHBBNSA-N 1 1 409.534 2.154 50 0 HEAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C1 ZINC000014067149 559147746 /nfs/dbraw/zinc/14/77/46/559147746.db2.gz DRJHJVABQZYSHW-CALCHBBNSA-N 1 1 409.534 2.154 50 0 HEAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000100207799 559177512 /nfs/dbraw/zinc/17/75/12/559177512.db2.gz CGMVJJVYKAKVQY-RQXXJAGISA-N 1 1 409.392 2.396 50 0 HEAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000100207799 559177513 /nfs/dbraw/zinc/17/75/13/559177513.db2.gz CGMVJJVYKAKVQY-RQXXJAGISA-N 1 1 409.392 2.396 50 0 HEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000409413940 559250827 /nfs/dbraw/zinc/25/08/27/559250827.db2.gz LSDQYVGCUAPKNN-HBMCJLEFSA-N 1 1 412.538 2.002 50 0 HEAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@@H+](CCO)C[C@H]12 ZINC000247992602 559275065 /nfs/dbraw/zinc/27/50/65/559275065.db2.gz BKTKCSYTIZBPQN-UPVQGACJSA-N 1 1 404.514 2.443 50 0 HEAAMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000050997171 560539228 /nfs/dbraw/zinc/53/92/28/560539228.db2.gz XCVJZHWMPQMWIY-PKOBYXMFSA-N 1 1 416.566 2.273 50 0 HEAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 ZINC000101490831 560795918 /nfs/dbraw/zinc/79/59/18/560795918.db2.gz YBAWIYWNNRJJJU-LJQANCHMSA-N 1 1 423.469 2.383 50 0 HEAAMO C[NH+](C)[C@H](CNc1c(=O)c(=O)c1N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000101696646 560798246 /nfs/dbraw/zinc/79/82/46/560798246.db2.gz KEOMFCGDGULYNF-HXUWFJFHSA-N 1 1 404.514 2.324 50 0 HEAAMO O=C1C[C@H]([NH2+]CCCN2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000102541438 560814512 /nfs/dbraw/zinc/81/45/12/560814512.db2.gz WBVZISLTLRUMSO-QFIPXVFZSA-N 1 1 424.520 2.255 50 0 HEAAMO COc1cc(Br)c(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1OC ZINC000107508707 560896466 /nfs/dbraw/zinc/89/64/66/560896466.db2.gz PQSYHZYOPLMTAV-RYUDHWBXSA-N 1 1 416.316 2.385 50 0 HEAAMO COc1cc(Br)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1OC ZINC000107508707 560896468 /nfs/dbraw/zinc/89/64/68/560896468.db2.gz PQSYHZYOPLMTAV-RYUDHWBXSA-N 1 1 416.316 2.385 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(F)cc2I)CC1 ZINC000048217858 568432441 /nfs/dbraw/zinc/43/24/41/568432441.db2.gz DVSSMTVTYODRPN-UHFFFAOYSA-N 1 1 419.282 2.188 50 0 HEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)ccn1 ZINC000048375304 568442438 /nfs/dbraw/zinc/44/24/38/568442438.db2.gz JFSVZTQTJGXQSS-UHFFFAOYSA-N 1 1 402.458 2.371 50 0 HEAAMO O=C(Cn1cnc2c(c1=O)C[N@@H+](Cc1ccccc1)CC2)Nc1ccc2c(c1)OCO2 ZINC000049400735 568447549 /nfs/dbraw/zinc/44/75/49/568447549.db2.gz RQZRSADROZEBJP-UHFFFAOYSA-N 1 1 418.453 2.169 50 0 HEAAMO NC(=O)C1CC[NH+](CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 ZINC000008212281 568493288 /nfs/dbraw/zinc/49/32/88/568493288.db2.gz IKGBNZFEBPHGAP-UHFFFAOYSA-N 1 1 415.515 2.250 50 0 HEAAMO CCOC(=O)C1C(CN2CC[NH+](CC)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214202 568594716 /nfs/dbraw/zinc/59/47/16/568594716.db2.gz WQOUTLSRWODWAK-GOSISDBHSA-N 1 1 406.914 2.149 50 0 HEAAMO CCOC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1 ZINC000020411998 568605387 /nfs/dbraw/zinc/60/53/87/568605387.db2.gz PGYFRFCVPWSCKX-YDICMARKSA-N 1 1 406.523 2.046 50 0 biogenic HEAAMO Cc1nn([C@H](C)C(=O)NCCC[NH+]2CCOCC2)c(=O)c2c3ccccc3sc21 ZINC000020466947 568610361 /nfs/dbraw/zinc/61/03/61/568610361.db2.gz NCUXGEHJBKZUCO-OAHLLOKOSA-N 1 1 414.531 2.319 50 0 HEAAMO Cc1nn([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)c(=O)c2c3ccccc3sc21 ZINC000020466945 568610383 /nfs/dbraw/zinc/61/03/83/568610383.db2.gz NCUXGEHJBKZUCO-HNNXBMFYSA-N 1 1 414.531 2.319 50 0 HEAAMO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)s1 ZINC000095455481 568616994 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50 0 HEAAMO CC[NH+]1CCN(C(=O)c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)CC1 ZINC000096386429 568742877 /nfs/dbraw/zinc/74/28/77/568742877.db2.gz VKPYLLUMAHSISJ-UHFFFAOYSA-N 1 1 403.527 2.387 50 0 HEAAMO Cc1cc(C)cc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015103116 568756031 /nfs/dbraw/zinc/75/60/31/568756031.db2.gz GTVYBPPHFDFKEF-MRXNPFEDSA-N 1 1 405.520 2.289 50 0 HEAAMO Cc1cc(C)cc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015103116 568756033 /nfs/dbraw/zinc/75/60/33/568756033.db2.gz GTVYBPPHFDFKEF-MRXNPFEDSA-N 1 1 405.520 2.289 50 0 HEAAMO C[N@@H+](CCNC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1)C1CCCCC1 ZINC000021927308 568761189 /nfs/dbraw/zinc/76/11/89/568761189.db2.gz YOABOXPLJFYTDI-MRXNPFEDSA-N 1 1 420.583 2.014 50 0 HEAAMO C[NH+]1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2cccc(Br)c2)CC(=O)N3)CC1 ZINC000670416192 568768158 /nfs/dbraw/zinc/76/81/58/568768158.db2.gz XNAUJHGBPLMVSK-CYBMUJFWSA-N 1 1 418.295 2.171 50 0 HEAAMO C[C@@H]1CCC[C@@]2(C1)OC[C@H](C(=O)N1CC[NH+](C)CC1)N2C(=O)c1ccccc1F ZINC000230022491 568802105 /nfs/dbraw/zinc/80/21/05/568802105.db2.gz CDZOKULNQMRGKV-PERKRYKHSA-N 1 1 403.498 2.347 50 0 HEAAMO COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c(OC)c1 ZINC000230466116 568861453 /nfs/dbraw/zinc/86/14/53/568861453.db2.gz ZRKBYTNENHBEQG-ZHALLVOQSA-N 1 1 415.534 2.437 50 0 biogenic HEAAMO CCc1cc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)[nH]n1 ZINC000299760684 568873299 /nfs/dbraw/zinc/87/32/99/568873299.db2.gz WPUZGCVBPYYGCN-OAQYLSRUSA-N 1 1 416.497 2.382 50 0 HEAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cccc3cccnc31)CC2)c1ccoc1 ZINC000299770038 568874167 /nfs/dbraw/zinc/87/41/67/568874167.db2.gz QAQZWLCCZUKNFK-UHFFFAOYSA-N 1 1 416.485 2.450 50 0 HEAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000299786331 568875634 /nfs/dbraw/zinc/87/56/34/568875634.db2.gz JPOYOYMSYCGVIS-UHFFFAOYSA-N 1 1 423.513 2.086 50 0 HEAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000299786331 568875635 /nfs/dbraw/zinc/87/56/35/568875635.db2.gz JPOYOYMSYCGVIS-UHFFFAOYSA-N 1 1 423.513 2.086 50 0 HEAAMO COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CC[N@@H+](Cc1cccs1)CC2 ZINC000299801384 568876769 /nfs/dbraw/zinc/87/67/69/568876769.db2.gz XIBQMTJNTPNPOF-UHFFFAOYSA-N 1 1 419.572 2.166 50 0 HEAAMO COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CC[N@H+](Cc1cccs1)CC2 ZINC000299801384 568876770 /nfs/dbraw/zinc/87/67/70/568876770.db2.gz XIBQMTJNTPNPOF-UHFFFAOYSA-N 1 1 419.572 2.166 50 0 HEAAMO CCn1c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2[nH]c(=O)c1=O ZINC000003439027 568903174 /nfs/dbraw/zinc/90/31/74/568903174.db2.gz JCMQFEQMJVDLDG-GOSISDBHSA-N 1 1 410.474 2.260 50 0 HEAAMO COc1ccc(F)c(F)c1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670458538 568944735 /nfs/dbraw/zinc/94/47/35/568944735.db2.gz UELOEBPFOZBHQE-HEBXWJCKSA-N 1 1 413.468 2.271 50 0 HEAAMO COCC1CCN(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000670468616 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50 0 HEAAMO CC1CCN(C(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)CC1 ZINC000064836044 569104554 /nfs/dbraw/zinc/10/45/54/569104554.db2.gz XMHHKBFHFXQYLO-UHFFFAOYSA-N 1 1 419.529 2.463 50 0 HEAAMO Cn1ncc2c3ccccc3n(CC(=O)NCC[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000064839327 569105265 /nfs/dbraw/zinc/10/52/65/569105265.db2.gz FLYOAOFZQZUWHQ-UHFFFAOYSA-N 1 1 403.486 2.136 50 0 HEAAMO CCCN1C(=O)COc2cc(-c3noc(C(=O)NC[C@@H]4CCC[N@H+]4CC)n3)ccc21 ZINC000065138023 569183746 /nfs/dbraw/zinc/18/37/46/569183746.db2.gz LIKPIGLSIFGYFQ-HNNXBMFYSA-N 1 1 413.478 2.086 50 0 HEAAMO Cc1ccc(CNC(=O)C2CCN(c3cncnc3N3CC[NH+](C)CC3)CC2)cc1 ZINC000065226881 569200127 /nfs/dbraw/zinc/20/01/27/569200127.db2.gz OJVSWSIXWSEFQL-UHFFFAOYSA-N 1 1 408.550 2.070 50 0 HEAAMO CCCc1noc(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](CC)CC4)c3C)c2)n1 ZINC000065251295 569206597 /nfs/dbraw/zinc/20/65/97/569206597.db2.gz GJDTWNRPCRUBFU-UHFFFAOYSA-N 1 1 409.494 2.356 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3cc(-c4nc(C5CC5)no4)ccn3)c2C)CC1 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Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000040111534 571169665 /nfs/dbraw/zinc/16/96/65/571169665.db2.gz KTLBLGGUNYIMCI-UHFFFAOYSA-N 1 1 418.497 2.363 50 0 HEAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(OC)c2OC)c(OC)c1 ZINC000009375888 571252772 /nfs/dbraw/zinc/25/27/72/571252772.db2.gz UXJURBLTFIKWAG-KRWDZBQOSA-N 1 1 419.474 2.371 50 0 HEAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000071850332 571303514 /nfs/dbraw/zinc/30/35/14/571303514.db2.gz SRIQUYHEPJEBJS-ZWKOTPCHSA-N 1 1 412.534 2.114 50 0 HEAAMO C[C@H]1CCC[N@@H+](CCNC(=O)CN2CCCc3nc(-c4ccccc4)ncc3C2=O)C1 ZINC000581787404 1078760819 /nfs/dbraw/zinc/76/08/19/1078760819.db2.gz HBYKGYKULWONCT-SFHVURJKSA-N 1 1 421.545 2.380 50 0 HEAAMO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012385844 132359368 /nfs/dbraw/zinc/35/93/68/132359368.db2.gz RICAVBSJXKGUNR-UHFFFAOYSA-N 1 1 402.882 2.422 50 0 HEAAMO COCc1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)o1 ZINC000012436176 132359926 /nfs/dbraw/zinc/35/99/26/132359926.db2.gz YVEDHVGDWFJARY-FGZHOGPDSA-N 1 1 403.498 2.323 50 0 HEAAMO COCc1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)o1 ZINC000012436176 132359927 /nfs/dbraw/zinc/35/99/27/132359927.db2.gz YVEDHVGDWFJARY-FGZHOGPDSA-N 1 1 403.498 2.323 50 0 HEAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000012719032 132366213 /nfs/dbraw/zinc/36/62/13/132366213.db2.gz YQEACOUVNGXZHQ-FQEVSTJZSA-N 1 1 408.550 2.294 50 0 HEAAMO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC(C)(C)CN(C)C)C2 ZINC000020539338 523613305 /nfs/dbraw/zinc/61/33/05/523613305.db2.gz ROEJSBYPXDUBRK-INIZCTEOSA-N 1 1 407.628 2.127 50 0 HEAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)C[C@H]2O)CC1 ZINC000020599639 523918093 /nfs/dbraw/zinc/91/80/93/523918093.db2.gz BTVLAHBXWPVWNJ-HZPDHXFCSA-N 1 1 405.848 2.182 50 0 HEAAMO CC(=O)c1cc(CN2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C2)cs1 ZINC000012432172 534818507 /nfs/dbraw/zinc/81/85/07/534818507.db2.gz 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Cc1[nH+]ccn1Cc1cccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000032809842 527449339 /nfs/dbraw/zinc/44/93/39/527449339.db2.gz HQMFASOKDIBMTQ-PMACEKPBSA-N 1 1 406.486 2.197 50 0 HEAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCCc3c4cc(O)ccc4oc(=O)c32)C1 ZINC000004143866 535521712 /nfs/dbraw/zinc/52/17/12/535521712.db2.gz CJUOREDCAQBHPO-CQSZACIVSA-N 1 1 414.458 2.053 50 0 HEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCCc3c4cc(O)ccc4oc(=O)c32)C1 ZINC000004143866 535521719 /nfs/dbraw/zinc/52/17/19/535521719.db2.gz CJUOREDCAQBHPO-CQSZACIVSA-N 1 1 414.458 2.053 50 0 HEAAMO COc1cc(C[N@@H+]2CCN(Cc3cnc(SC)nc3)C[C@@H]2CCO)cc(OC)c1 ZINC000019744736 558265199 /nfs/dbraw/zinc/26/51/99/558265199.db2.gz GOPCLCOFNWQLRU-SFHVURJKSA-N 1 1 418.563 2.285 50 0 HEAAMO COc1cc(C[N@H+]2CCN(Cc3cnc(SC)nc3)C[C@@H]2CCO)cc(OC)c1 ZINC000019744736 558265200 /nfs/dbraw/zinc/26/52/00/558265200.db2.gz GOPCLCOFNWQLRU-SFHVURJKSA-N 1 1 418.563 2.285 50 0 HEAAMO O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCCC[NH+]1CCOCC1 ZINC000019836976 558293099 /nfs/dbraw/zinc/29/30/99/558293099.db2.gz WQKYFQSWYHBKDO-NRFANRHFSA-N 1 1 407.942 2.150 50 0 HEAAMO Cc1c(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000019839384 558293715 /nfs/dbraw/zinc/29/37/15/558293715.db2.gz MKQIRPYCIAOCBR-NRFANRHFSA-N 1 1 400.567 2.399 50 0 HEAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccccc1OC)CC2 ZINC000011880158 558294798 /nfs/dbraw/zinc/29/47/98/558294798.db2.gz ZQZIHHGEYMPDHS-GOSISDBHSA-N 1 1 415.538 2.195 50 0 HEAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000019913724 558307228 /nfs/dbraw/zinc/30/72/28/558307228.db2.gz IHCOOXQLNDPKFK-UHFFFAOYSA-N 1 1 421.950 2.450 50 0 HEAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000012035560 558311927 /nfs/dbraw/zinc/31/19/27/558311927.db2.gz IGSRBSHVGCYBRQ-UHFFFAOYSA-N 1 1 423.492 2.213 50 0 HEAAMO CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC[NH+]1CCN(C(=O)OCC)CC1 ZINC000020189029 558344262 /nfs/dbraw/zinc/34/42/62/558344262.db2.gz SMCFDEGCRUWHGC-UHFFFAOYSA-N 1 1 416.478 2.447 50 0 HEAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)s1 ZINC000020326016 558355557 /nfs/dbraw/zinc/35/55/57/558355557.db2.gz ZIJBJRBLGGDNDY-OAHLLOKOSA-N 1 1 403.552 2.310 50 0 HEAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCCC1=O ZINC000012297738 558368001 /nfs/dbraw/zinc/36/80/01/558368001.db2.gz GNVFGZSUNAYYDC-FQEVSTJZSA-N 1 1 401.551 2.421 50 0 HEAAMO Cc1nc(C)c(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)nc1C ZINC000012431751 558406133 /nfs/dbraw/zinc/40/61/33/558406133.db2.gz DPISDVKUWOCFRX-KRWDZBQOSA-N 1 1 406.494 2.228 50 0 HEAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012439893 558411334 /nfs/dbraw/zinc/41/13/34/558411334.db2.gz NKHIOLJBGQWNFV-KRWDZBQOSA-N 1 1 424.501 2.497 50 0 HEAAMO CCS(=O)(=O)c1ncc(CN(C)C[C@H]2CCC[N@H+]2C)n1CCc1ccccc1 ZINC000020784305 558413477 /nfs/dbraw/zinc/41/34/77/558413477.db2.gz QLGGTUSEOCKGRS-LJQANCHMSA-N 1 1 404.580 2.445 50 0 HEAAMO CCCCNC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012448831 558415641 /nfs/dbraw/zinc/41/56/41/558415641.db2.gz FZOOGUOUZAWEPY-LJQANCHMSA-N 1 1 401.555 2.384 50 0 HEAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000020905940 558420630 /nfs/dbraw/zinc/42/06/30/558420630.db2.gz UFHVSPALSQFOQX-GOSISDBHSA-N 1 1 421.492 2.464 50 0 HEAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000020905940 558420632 /nfs/dbraw/zinc/42/06/32/558420632.db2.gz UFHVSPALSQFOQX-GOSISDBHSA-N 1 1 421.492 2.464 50 0 HEAAMO CCN1CCN(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)CC1 ZINC000020915158 558422698 /nfs/dbraw/zinc/42/26/98/558422698.db2.gz PKRMKEGZEJWFBD-QFIPXVFZSA-N 1 1 400.611 2.345 50 0 HEAAMO CCN1CCN(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)CC1 ZINC000020915158 558422699 /nfs/dbraw/zinc/42/26/99/558422699.db2.gz PKRMKEGZEJWFBD-QFIPXVFZSA-N 1 1 400.611 2.345 50 0 HEAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)o1 ZINC000020999895 558428213 /nfs/dbraw/zinc/42/82/13/558428213.db2.gz FNRGOXVFBOCRON-QGZVFWFLSA-N 1 1 409.490 2.494 50 0 HEAAMO COc1cc(CNCc2ccccc2F)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000012570650 558428722 /nfs/dbraw/zinc/42/87/22/558428722.db2.gz XQDLKMSWXASQAT-HXUWFJFHSA-N 1 1 418.509 2.321 50 0 HEAAMO O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021400417 558437992 /nfs/dbraw/zinc/43/79/92/558437992.db2.gz RQLVWWGGCXVGOH-UHFFFAOYSA-N 1 1 417.456 2.233 50 0 HEAAMO CCn1cc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)cn1 ZINC000012714191 558454321 /nfs/dbraw/zinc/45/43/21/558454321.db2.gz LLAZTYDODUGGNY-UHFFFAOYSA-N 1 1 416.522 2.331 50 0 HEAAMO O=C1NC2(CCCCCC2)C(=O)N1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000022774217 558509133 /nfs/dbraw/zinc/50/91/33/558509133.db2.gz HQRBXMDDIUMQNU-UHFFFAOYSA-N 1 1 400.523 2.285 50 0 HEAAMO CC1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3ccc4c(c3)CCO4)CC1)C2=O ZINC000022777291 558509645 /nfs/dbraw/zinc/50/96/45/558509645.db2.gz HZRLZZBNJKDCHR-UHFFFAOYSA-N 1 1 412.534 2.197 50 0 HEAAMO O=C(NCC1([NH+]2CCOCC2)CCCC1)c1cn(Cc2ccccc2Cl)nn1 ZINC000023129482 558536985 /nfs/dbraw/zinc/53/69/85/558536985.db2.gz CTYNUEDHHWFYFT-UHFFFAOYSA-N 1 1 403.914 2.355 50 0 HEAAMO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@H+](CCc2ccccc2)C1 ZINC000023353747 558551177 /nfs/dbraw/zinc/55/11/77/558551177.db2.gz VHWWONBNBXJURD-DHIUTWEWSA-N 1 1 400.611 2.187 50 0 HEAAMO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@@H+](CCc2ccccc2)C1 ZINC000023353747 558551178 /nfs/dbraw/zinc/55/11/78/558551178.db2.gz VHWWONBNBXJURD-DHIUTWEWSA-N 1 1 400.611 2.187 50 0 HEAAMO Cc1cnc(CNC(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)cn1 ZINC000023372964 558553090 /nfs/dbraw/zinc/55/30/90/558553090.db2.gz PYVHCYUQHGCJDI-UHFFFAOYSA-N 1 1 406.490 2.021 50 0 HEAAMO c1cnn(CCC[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000023374523 558554094 /nfs/dbraw/zinc/55/40/94/558554094.db2.gz JFEPOOICANOCSS-NRFANRHFSA-N 1 1 411.550 2.284 50 0 HEAAMO COc1ccc(CN2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000024054878 558587173 /nfs/dbraw/zinc/58/71/73/558587173.db2.gz RWVKAACUUUIWEO-UHFFFAOYSA-N 1 1 423.565 2.403 50 0 HEAAMO COc1ccc2c(cc(C(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2C)c1 ZINC000013733216 558587595 /nfs/dbraw/zinc/58/75/95/558587595.db2.gz BCUXNJCXXPZAQT-UHFFFAOYSA-N 1 1 420.513 2.261 50 0 HEAAMO CCOC(=O)C1C(C[NH+](CC)CC)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000013960832 558608768 /nfs/dbraw/zinc/60/87/68/558608768.db2.gz WXWKSULAGSVHDH-IBGZPJMESA-N 1 1 405.495 2.355 50 0 HEAAMO COc1ccc(CCN2C(=O)C[C@@H]([N@H+](C)CCOc3ccccc3)C2=O)cc1OC ZINC000025059132 558629442 /nfs/dbraw/zinc/62/94/42/558629442.db2.gz WGMVPLPKCSYJIT-LJQANCHMSA-N 1 1 412.486 2.385 50 0 HEAAMO COc1ccc(CCN2C(=O)C[C@@H]([N@@H+](C)CCOc3ccccc3)C2=O)cc1OC ZINC000025059132 558629444 /nfs/dbraw/zinc/62/94/44/558629444.db2.gz WGMVPLPKCSYJIT-LJQANCHMSA-N 1 1 412.486 2.385 50 0 HEAAMO CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1ccccn1)CC2 ZINC000014741772 558667457 /nfs/dbraw/zinc/66/74/57/558667457.db2.gz WUHXGFCTJCVCAB-UHFFFAOYSA-N 1 1 401.555 2.288 50 0 HEAAMO O=C(CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccc(F)c(F)c1 ZINC000027364285 558672562 /nfs/dbraw/zinc/67/25/62/558672562.db2.gz NYANXLSYJIKVJU-UHFFFAOYSA-N 1 1 418.444 2.235 50 0 HEAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000014947737 558679992 /nfs/dbraw/zinc/67/99/92/558679992.db2.gz AXIUQBMGLJSAEY-KRWDZBQOSA-N 1 1 410.478 2.391 50 0 HEAAMO O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000014976849 558689543 /nfs/dbraw/zinc/68/95/43/558689543.db2.gz XRPVZXIONLRHIJ-HNNXBMFYSA-N 1 1 421.904 2.303 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000022937561 558725784 /nfs/dbraw/zinc/72/57/84/558725784.db2.gz OFAYKDGGODNERR-QGZVFWFLSA-N 1 1 416.595 2.052 50 0 HEAAMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000015301021 558731048 /nfs/dbraw/zinc/73/10/48/558731048.db2.gz REIMXMICWLRHQB-GOSISDBHSA-N 1 1 402.491 2.396 50 0 HEAAMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000015301021 558731051 /nfs/dbraw/zinc/73/10/51/558731051.db2.gz REIMXMICWLRHQB-GOSISDBHSA-N 1 1 402.491 2.396 50 0 HEAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000015671250 558748292 /nfs/dbraw/zinc/74/82/92/558748292.db2.gz LYBZYFIAASMYBP-UHFFFAOYSA-N 1 1 405.499 2.035 50 0 HEAAMO COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)c(OC)c1 ZINC000033326764 558766994 /nfs/dbraw/zinc/76/69/94/558766994.db2.gz JERRXUGMRLSUQU-UHFFFAOYSA-N 1 1 400.483 2.222 50 0 HEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032987682 558807609 /nfs/dbraw/zinc/80/76/09/558807609.db2.gz TTYZVUUQCOFAPW-HNNXBMFYSA-N 1 1 417.535 2.298 50 0 HEAAMO CCn1ncc(CN2CC[N@H+](Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1C ZINC000039500225 558821716 /nfs/dbraw/zinc/82/17/16/558821716.db2.gz SZAKYOKHAOVODH-HXUWFJFHSA-N 1 1 402.539 2.297 50 0 HEAAMO CCn1ncc(CN2CC[N@@H+](Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1C ZINC000039500225 558821717 /nfs/dbraw/zinc/82/17/17/558821717.db2.gz SZAKYOKHAOVODH-HXUWFJFHSA-N 1 1 402.539 2.297 50 0 HEAAMO CC[NH+]1CCN(C(=O)CSc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033011759 558831077 /nfs/dbraw/zinc/83/10/77/558831077.db2.gz KYBYMSWGCDSGCG-UHFFFAOYSA-N 1 1 405.549 2.355 50 0 HEAAMO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000018325160 558835607 /nfs/dbraw/zinc/83/56/07/558835607.db2.gz AURYINVWDGXJFN-IBGZPJMESA-N 1 1 401.507 2.475 50 0 HEAAMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3c(F)cc(N)cc3F)CC2)c1 ZINC000072312509 558837723 /nfs/dbraw/zinc/83/77/23/558837723.db2.gz KMRUWOVWZXCIBR-UHFFFAOYSA-N 1 1 403.429 2.357 50 0 HEAAMO COC(=O)c1ccc(NC(=O)c2nc3ccccc3nc2N2CC[NH+](C)CC2)cc1 ZINC000033086047 558870814 /nfs/dbraw/zinc/87/08/14/558870814.db2.gz VNBOLWKZPVCWOV-UHFFFAOYSA-N 1 1 405.458 2.421 50 0 HEAAMO COCC[N@H+]1CC[C@@H](C(=O)Nc2ccccc2-c2nn3c(C)csc3nc2=O)C1 ZINC000055227542 558876860 /nfs/dbraw/zinc/87/68/60/558876860.db2.gz DDIDTJAGIHVZAB-CQSZACIVSA-N 1 1 413.503 2.033 50 0 HEAAMO Cc1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H](O)COc3ccc(C)cc3)CC2)cc1 ZINC000019366961 558876974 /nfs/dbraw/zinc/87/69/74/558876974.db2.gz LFYFXAZBXJEOBM-FGZHOGPDSA-N 1 1 414.546 2.101 50 0 HEAAMO CN(CC(=O)NCCC[N@@H+](C)C1CCCCC1)c1nnc(N2CCCCC2=O)s1 ZINC000033048547 558885984 /nfs/dbraw/zinc/88/59/84/558885984.db2.gz DYMKJIRIWRPKTD-UHFFFAOYSA-N 1 1 422.599 2.262 50 0 HEAAMO Cc1cnc(C)nc1N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071416333 558897647 /nfs/dbraw/zinc/89/76/47/558897647.db2.gz GIIHFZVQSISRON-FQEVSTJZSA-N 1 1 408.550 2.486 50 0 HEAAMO CSc1ncc(Cl)c(C(=O)NCc2ccc(N3CCC[N@@H+](C)CC3)nc2)n1 ZINC000058101268 558898912 /nfs/dbraw/zinc/89/89/12/558898912.db2.gz ZTOMAPMQPORFQD-UHFFFAOYSA-N 1 1 406.943 2.319 50 0 HEAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3cnn(Cc4ccccc4)c3)cn2)CC1 ZINC000058184282 558910408 /nfs/dbraw/zinc/91/04/08/558910408.db2.gz PUEOZJNEAOJDRK-UHFFFAOYSA-N 1 1 404.518 2.398 50 0 HEAAMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)NCC[C@H]2CCCO2)ccc1F ZINC000058224769 558913390 /nfs/dbraw/zinc/91/33/90/558913390.db2.gz FSNDLQRJZBWYHT-MRXNPFEDSA-N 1 1 408.474 2.177 50 0 HEAAMO COc1ccc(C2=NN(CC(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)C(=O)CC2)cc1 ZINC000004712521 558917839 /nfs/dbraw/zinc/91/78/39/558917839.db2.gz ZCXVXWVTJZRFLG-CALCHBBNSA-N 1 1 400.523 2.401 50 0 HEAAMO CC(=O)N1CCc2cc(C(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)ccc21 ZINC000058393806 558924013 /nfs/dbraw/zinc/92/40/13/558924013.db2.gz FENCMALKCNAACJ-UHFFFAOYSA-N 1 1 407.518 2.063 50 0 HEAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nnc4ccc(C(F)(F)F)cn43)C2)CC1 ZINC000065313011 558946177 /nfs/dbraw/zinc/94/61/77/558946177.db2.gz KDOMPVFNHXPEPB-AWEZNQCLSA-N 1 1 410.444 2.129 50 0 HEAAMO C[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(-c2cnn(CCO)c2)nc2ccc(F)cc21 ZINC000063871044 558960545 /nfs/dbraw/zinc/96/05/45/558960545.db2.gz GNFFAJZYQXPKGG-OAHLLOKOSA-N 1 1 411.481 2.396 50 0 HEAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](C/C=C/c1ccco1)CC2 ZINC000064045208 558961778 /nfs/dbraw/zinc/96/17/78/558961778.db2.gz CQSQTNDCTBYCLW-MJICGBHWSA-N 1 1 401.511 2.292 50 0 HEAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](C/C=C/c1ccco1)CC2 ZINC000064045208 558961779 /nfs/dbraw/zinc/96/17/79/558961779.db2.gz CQSQTNDCTBYCLW-MJICGBHWSA-N 1 1 401.511 2.292 50 0 HEAAMO Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000065365706 558976548 /nfs/dbraw/zinc/97/65/48/558976548.db2.gz PGVMCNXUIOENLE-UHFFFAOYSA-N 1 1 415.563 2.427 50 0 HEAAMO Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc(N2CCOCC2)[nH+]1 ZINC000067613982 558989317 /nfs/dbraw/zinc/98/93/17/558989317.db2.gz DZAQATQCEABYQD-UHFFFAOYSA-N 1 1 418.448 2.254 50 0 HEAAMO Cc1cnn(CCNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000082092005 559037089 /nfs/dbraw/zinc/03/70/89/559037089.db2.gz LOTQCNDKXSRZIG-NRFANRHFSA-N 1 1 410.566 2.079 50 0 HEAAMO CN(CC(C)(C)CO)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106950 559038277 /nfs/dbraw/zinc/03/82/77/559038277.db2.gz TYSPHVSLJCVNKE-FQEVSTJZSA-N 1 1 402.583 2.235 50 0 HEAAMO Cc1cnc(C)c(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082108471 559038612 /nfs/dbraw/zinc/03/86/12/559038612.db2.gz LOEWUMSHXAXEEI-IBGZPJMESA-N 1 1 408.550 2.486 50 0 HEAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cscn3)CC2)C1 ZINC000082125933 559039691 /nfs/dbraw/zinc/03/96/91/559039691.db2.gz AGEOCZKKJFOZDF-KRWDZBQOSA-N 1 1 413.547 2.171 50 0 HEAAMO CN(CC(C)(C)CO)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082138276 559040457 /nfs/dbraw/zinc/04/04/57/559040457.db2.gz HDIDKXNHGLQFQC-FQEVSTJZSA-N 1 1 402.583 2.235 50 0 HEAAMO Cc1cc(C)nc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082147429 559040845 /nfs/dbraw/zinc/04/08/45/559040845.db2.gz WPZKUTQYKYRMNA-FQEVSTJZSA-N 1 1 408.550 2.486 50 0 HEAAMO Cn1cccc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082167474 559042175 /nfs/dbraw/zinc/04/21/75/559042175.db2.gz QYFOZFFUAKKOFS-SFHVURJKSA-N 1 1 409.534 2.053 50 0 HEAAMO O=C1COc2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c(Cl)cc2N1 ZINC000033332139 559063047 /nfs/dbraw/zinc/06/30/47/559063047.db2.gz YBCJVECFJQMQIO-UHFFFAOYSA-N 1 1 413.927 2.310 50 0 HEAAMO CCCCCn1c(=O)[nH]c2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)ccc2c1=O ZINC000004791753 559065580 /nfs/dbraw/zinc/06/55/80/559065580.db2.gz FHTGUCTVOSDWFN-INIZCTEOSA-N 1 1 400.523 2.484 50 0 HEAAMO CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000091366881 559071195 /nfs/dbraw/zinc/07/11/95/559071195.db2.gz UFWYJSWXIFSORM-NRFANRHFSA-N 1 1 406.486 2.095 50 0 HEAAMO O=C([C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1 ZINC000091736517 559073402 /nfs/dbraw/zinc/07/34/02/559073402.db2.gz IVZCRAFITVSBOW-OAQYLSRUSA-N 1 1 411.590 2.314 50 0 HEAAMO O=C([C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC(O)CC1 ZINC000091736517 559073403 /nfs/dbraw/zinc/07/34/03/559073403.db2.gz IVZCRAFITVSBOW-OAQYLSRUSA-N 1 1 411.590 2.314 50 0 HEAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CNC(N)=O ZINC000095496581 559081505 /nfs/dbraw/zinc/08/15/05/559081505.db2.gz AZUPSFOTPRAABO-HNNXBMFYSA-N 1 1 400.445 2.087 50 0 HEAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[N@H+]3CC=C(C)CC3)c2)CC1 ZINC000095511766 559083983 /nfs/dbraw/zinc/08/39/83/559083983.db2.gz LCIPKSQTXOZUDH-NRFANRHFSA-N 1 1 402.535 2.463 50 0 HEAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[N@@H+]3CC=C(C)CC3)c2)CC1 ZINC000095511766 559083985 /nfs/dbraw/zinc/08/39/85/559083985.db2.gz LCIPKSQTXOZUDH-NRFANRHFSA-N 1 1 402.535 2.463 50 0 HEAAMO O=C(CNC(=O)c1ccc(Br)cc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000046575593 559258482 /nfs/dbraw/zinc/25/84/82/559258482.db2.gz IATWHGWXPGPQMM-UHFFFAOYSA-N 1 1 416.319 2.353 50 0 HEAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)[NH+](C)C)cc1OC ZINC000011999403 559270392 /nfs/dbraw/zinc/27/03/92/559270392.db2.gz ZGFKGEQROXWLGJ-HNNXBMFYSA-N 1 1 408.476 2.014 50 0 HEAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CNS(C)(=O)=O)C3)C2)cc1 ZINC000426436545 559271603 /nfs/dbraw/zinc/27/16/03/559271603.db2.gz KUNSOCNJFCUNTJ-OAQYLSRUSA-N 1 1 407.580 2.174 50 0 HEAAMO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000062581721 560632099 /nfs/dbraw/zinc/63/20/99/560632099.db2.gz DIMZZKBXXKBDTL-QZTJIDSGSA-N 1 1 407.518 2.411 50 0 HEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000409415196 560723458 /nfs/dbraw/zinc/72/34/58/560723458.db2.gz WKZMPKKUEWVKAY-ZCNNSNEGSA-N 1 1 412.534 2.220 50 0 HEAAMO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000024443769 560819789 /nfs/dbraw/zinc/81/97/89/560819789.db2.gz UYAMNWDMXWUSSK-HXUWFJFHSA-N 1 1 401.532 2.179 50 0 HEAAMO Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000024443769 560819790 /nfs/dbraw/zinc/81/97/90/560819790.db2.gz UYAMNWDMXWUSSK-HXUWFJFHSA-N 1 1 401.532 2.179 50 0 HEAAMO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000048333183 568439470 /nfs/dbraw/zinc/43/94/70/568439470.db2.gz KQGNOYABLIWWTE-UHFFFAOYSA-N 1 1 424.852 2.143 50 0 HEAAMO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000080337722 568602013 /nfs/dbraw/zinc/60/20/13/568602013.db2.gz ITSZOWJGWMHTQD-MRXNPFEDSA-N 1 1 410.474 2.270 50 0 HEAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000020412070 568605462 /nfs/dbraw/zinc/60/54/62/568605462.db2.gz BKDAMORCXLZHLW-CMCWBKRRSA-N 1 1 417.465 2.435 50 0 biogenic HEAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000020412070 568605463 /nfs/dbraw/zinc/60/54/63/568605463.db2.gz BKDAMORCXLZHLW-CMCWBKRRSA-N 1 1 417.465 2.435 50 0 biogenic HEAAMO CCN1CC[NH+](CCCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)CC1 ZINC000020466108 568610331 /nfs/dbraw/zinc/61/03/31/568610331.db2.gz YWWPYKCJOQGVEY-LJQANCHMSA-N 1 1 416.566 2.033 50 0 HEAAMO Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000225399867 568634321 /nfs/dbraw/zinc/63/43/21/568634321.db2.gz USVBFICXTJEXKS-GOSISDBHSA-N 1 1 416.547 2.456 50 0 HEAAMO CN(CCC[N@@H+](C)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000020760761 568642192 /nfs/dbraw/zinc/64/21/92/568642192.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 1 1 421.545 2.497 50 0 biogenic HEAAMO Cc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)OCC(=O)N2C)cc1 ZINC000096182389 568702656 /nfs/dbraw/zinc/70/26/56/568702656.db2.gz PXYFNZKUDUGGKM-XZOQPEGZSA-N 1 1 407.514 2.238 50 0 HEAAMO COC(=O)C1C(C[NH2+]C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057731168 568859167 /nfs/dbraw/zinc/85/91/67/568859167.db2.gz SYUGNINXMYINRI-LJQANCHMSA-N 1 1 403.479 2.407 50 0 HEAAMO COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000230472429 568861974 /nfs/dbraw/zinc/86/19/74/568861974.db2.gz FWRCJYBVEAARJG-ZHALLVOQSA-N 1 1 415.534 2.437 50 0 biogenic HEAAMO Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000263587528 568883119 /nfs/dbraw/zinc/88/31/19/568883119.db2.gz HSNIDZZPOCZPDK-SFHVURJKSA-N 1 1 400.523 2.388 50 0 HEAAMO CCn1c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2[nH]c(=O)c1=O ZINC000003439024 568903168 /nfs/dbraw/zinc/90/31/68/568903168.db2.gz JCMQFEQMJVDLDG-SFHVURJKSA-N 1 1 410.474 2.260 50 0 HEAAMO CC[C@@](C)(CNC(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000031162315 568916722 /nfs/dbraw/zinc/91/67/22/568916722.db2.gz ZMKFWSWKFNFETD-GGAORHGYSA-N 1 1 418.582 2.168 50 0 HEAAMO CCOC(=O)[C@H]1CCC[N@H+](CC2=NC(=O)N[C@H](c3ccc(C)cc3)C2C(=O)OC)C1 ZINC000226264232 569039897 /nfs/dbraw/zinc/03/98/97/569039897.db2.gz UILJAMLNYWBFCL-QFBILLFUSA-N 1 1 415.490 2.051 50 0 HEAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC2=NC(=O)N[C@H](c3ccc(C)cc3)C2C(=O)OC)C1 ZINC000226264232 569039898 /nfs/dbraw/zinc/03/98/98/569039898.db2.gz UILJAMLNYWBFCL-QFBILLFUSA-N 1 1 415.490 2.051 50 0 HEAAMO O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000032987897 569047922 /nfs/dbraw/zinc/04/79/22/569047922.db2.gz SAXFXRLTODRJIS-UVIRAJKCSA-N 1 1 411.546 2.262 50 0 HEAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000016554801 569058700 /nfs/dbraw/zinc/05/87/00/569058700.db2.gz HSXUKFSORIUQQN-UHFFFAOYSA-N 1 1 405.520 2.324 50 0 HEAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000016554801 569058701 /nfs/dbraw/zinc/05/87/01/569058701.db2.gz HSXUKFSORIUQQN-UHFFFAOYSA-N 1 1 405.520 2.324 50 0 HEAAMO O=C(Nc1ccccc1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)C1 ZINC000035881863 569064543 /nfs/dbraw/zinc/06/45/43/569064543.db2.gz DUVBVQJPWKQLQF-IBGZPJMESA-N 1 1 412.490 2.360 50 0 HEAAMO O=C(Nc1ccccc1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccco3)CC2)C1 ZINC000035881863 569064544 /nfs/dbraw/zinc/06/45/44/569064544.db2.gz DUVBVQJPWKQLQF-IBGZPJMESA-N 1 1 412.490 2.360 50 0 HEAAMO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@H](c1ccco1)[NH+](C)C)C2=O ZINC000006602331 569069867 /nfs/dbraw/zinc/06/98/67/569069867.db2.gz NNRSXFOCZRKHNK-LRAJWGHMSA-N 1 1 404.511 2.135 50 0 HEAAMO CC[NH+]1CCN(C(=O)CCNc2c(-c3ccc(OC)cc3)nc3cnccn32)CC1 ZINC000064759070 569090502 /nfs/dbraw/zinc/09/05/02/569090502.db2.gz WHIAHTKBKGLCES-UHFFFAOYSA-N 1 1 408.506 2.371 50 0 HEAAMO CCc1nc2c(c(=O)n1CC(=O)NCc1ccco1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153497 569187488 /nfs/dbraw/zinc/18/74/88/569187488.db2.gz PMXNOWXKGIUQIV-UHFFFAOYSA-N 1 1 406.486 2.273 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1c2ccccc2CC(=O)N1Cc1ccccc1 ZINC000065170126 569189164 /nfs/dbraw/zinc/18/91/64/569189164.db2.gz CIGIGTFPLYBGHB-HSZRJFAPSA-N 1 1 407.514 2.151 50 0 HEAAMO C[N@H+]1CCCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1 ZINC000065251155 569206541 /nfs/dbraw/zinc/20/65/41/569206541.db2.gz VEAMQIHTDPDKON-UHFFFAOYSA-N 1 1 409.494 2.393 50 0 HEAAMO CC[C@]1([NH+]2CCN(C(=O)COc3ccc(Cl)cc3C)CC2)CCN(C(=O)NC)C1 ZINC000065292061 569217806 /nfs/dbraw/zinc/21/78/06/569217806.db2.gz JZWWXQZGCPCDEL-NRFANRHFSA-N 1 1 422.957 2.365 50 0 HEAAMO O=C(NC[C@H](O)c1ccccc1F)[C@H]1CCC[N@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089813228 569266399 /nfs/dbraw/zinc/26/63/99/569266399.db2.gz KHDCPGCENDOWTC-MSOLQXFVSA-N 1 1 417.447 2.466 50 0 HEAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)C1=O ZINC000252444235 569286054 /nfs/dbraw/zinc/28/60/54/569286054.db2.gz XLPSUYCEWKLVBZ-LAUBAEHRSA-N 1 1 402.495 2.364 50 0 HEAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)C1=O ZINC000252444235 569286055 /nfs/dbraw/zinc/28/60/55/569286055.db2.gz XLPSUYCEWKLVBZ-LAUBAEHRSA-N 1 1 402.495 2.364 50 0 HEAAMO O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000252570585 569294341 /nfs/dbraw/zinc/29/43/41/569294341.db2.gz WVJJWTZEDHNRFR-SZMVWBNQSA-N 1 1 402.495 2.065 50 0 HEAAMO CCn1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CC[NH+](CC(C)C)CC2)CCO3)n1 ZINC000581819770 569320698 /nfs/dbraw/zinc/32/06/98/569320698.db2.gz JXPHDDGIOPPHEE-FQEVSTJZSA-N 1 1 417.598 2.330 50 0 HEAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000054887303 569325273 /nfs/dbraw/zinc/32/52/73/569325273.db2.gz KYGDFRZXJUQQBF-GCJKJVERSA-N 1 1 413.562 2.313 50 0 HEAAMO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979059 569372974 /nfs/dbraw/zinc/37/29/74/569372974.db2.gz DAEUMICVFIDSQQ-IBGZPJMESA-N 1 1 401.463 2.462 50 0 HEAAMO CCn1c(C[N@@H+]2C[C@H]3CCC[C@@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000079051885 569425565 /nfs/dbraw/zinc/42/55/65/569425565.db2.gz KRKLXDSQEKLMJO-QAPCUYQASA-N 1 1 404.536 2.061 50 0 HEAAMO CCn1c(C[N@H+]2C[C@H]3CCC[C@@H]32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000079051885 569425566 /nfs/dbraw/zinc/42/55/66/569425566.db2.gz KRKLXDSQEKLMJO-QAPCUYQASA-N 1 1 404.536 2.061 50 0 HEAAMO C[C@@H]1C[N@H+](CCCCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)C[C@H](C)O1 ZINC000079064317 569426360 /nfs/dbraw/zinc/42/63/60/569426360.db2.gz NOPHDCGSYIYBMG-HDICACEKSA-N 1 1 413.522 2.303 50 0 HEAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000067286673 571065080 /nfs/dbraw/zinc/06/50/80/571065080.db2.gz NXIOEXSOHOZZLO-IBGZPJMESA-N 1 1 403.479 2.361 50 0 HEAAMO Cn1ccc2c1cccc2C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670473491 571101922 /nfs/dbraw/zinc/10/19/22/571101922.db2.gz 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CC[NH+]1CCN(C(=O)CCC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000581774222 1078748372 /nfs/dbraw/zinc/74/83/72/1078748372.db2.gz NWLUPFDQSCYCGO-UHFFFAOYSA-N 1 1 407.580 2.340 50 0 HEAAMO O=S(=O)(c1ccccc1)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581801927 1078771129 /nfs/dbraw/zinc/77/11/29/1078771129.db2.gz BCRPKWOHTDMIID-NRFANRHFSA-N 1 1 420.575 2.500 50 0 HEAAMO O=S(=O)(c1ccccc1)N1CCC([N@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581801927 1078771136 /nfs/dbraw/zinc/77/11/36/1078771136.db2.gz BCRPKWOHTDMIID-NRFANRHFSA-N 1 1 420.575 2.500 50 0 HEAAMO C[N@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581802379 1078771911 /nfs/dbraw/zinc/77/19/11/1078771911.db2.gz HCHDQRXXVPCXSE-NRFANRHFSA-N 1 1 408.546 2.494 50 0 HEAAMO C[NH+]1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)CC1 ZINC000004057558 132270572 /nfs/dbraw/zinc/27/05/72/132270572.db2.gz KBJNMSFZNNKLAR-UHFFFAOYSA-N 1 1 423.443 2.222 50 0 HEAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3cccc(C)n3)c2)CC1 ZINC000020535698 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0 HEAAMO CCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697063 557783860 /nfs/dbraw/zinc/78/38/60/557783860.db2.gz MVFPHJPGAMRSIP-FQEVSTJZSA-N 1 1 405.926 2.235 50 0 HEAAMO CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC000019720140 558258636 /nfs/dbraw/zinc/25/86/36/558258636.db2.gz XVXLXOGNFXXFSV-LJQANCHMSA-N 1 1 408.502 2.221 50 0 HEAAMO C[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000019720255 558258722 /nfs/dbraw/zinc/25/87/22/558258722.db2.gz CSXZHQYIBUGDTK-QGZVFWFLSA-N 1 1 417.531 2.407 50 0 HEAAMO COc1ccc(OC)c(COC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022918064 558260968 /nfs/dbraw/zinc/26/09/68/558260968.db2.gz CVFZWMCEVLGKNQ-NRFANRHFSA-N 1 1 400.519 2.399 50 0 HEAAMO C[C@@H]1C[N@@H+](C2CCN(c3nc4nonc4nc3NC3CCCC3)CC2)C[C@H](C)O1 ZINC000019788659 558281901 /nfs/dbraw/zinc/28/19/01/558281901.db2.gz QKDIJGKVRFCYCE-OKILXGFUSA-N 1 1 401.515 2.445 50 0 HEAAMO Cc1ccccc1OC[C@@H](O)CN1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC000019788892 558281939 /nfs/dbraw/zinc/28/19/39/558281939.db2.gz DMEZKSJENAMQBF-VXKWHMMOSA-N 1 1 414.546 2.101 50 0 HEAAMO C[NH+]1CCN(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000019813004 558287151 /nfs/dbraw/zinc/28/71/51/558287151.db2.gz QRQSIRIBNSNWEU-UHFFFAOYSA-N 1 1 407.923 2.309 50 0 HEAAMO COC[C@H]1CCCN(Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)C1 ZINC000019939735 558313686 /nfs/dbraw/zinc/31/36/86/558313686.db2.gz PQNCMUFFKNJQRC-INIZCTEOSA-N 1 1 405.568 2.032 50 0 HEAAMO CN(CCC[NH+]1CCOCC1)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000020255881 558352181 /nfs/dbraw/zinc/35/21/81/558352181.db2.gz MZGRLJDYZFWHDR-GOSISDBHSA-N 1 1 407.942 2.259 50 0 HEAAMO O=C(c1cscn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020351139 558356525 /nfs/dbraw/zinc/35/65/25/558356525.db2.gz BKSJGYRNGJCXFF-QGZVFWFLSA-N 1 1 414.531 2.294 50 0 HEAAMO C[C@@H](C[N@@H+]1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccccc1 ZINC000012281164 558365207 /nfs/dbraw/zinc/36/52/07/558365207.db2.gz VCYQNJBIOIHSAV-SFHVURJKSA-N 1 1 404.518 2.307 50 0 HEAAMO COc1cc(C[N@H+](C)CC2CCOCC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012429528 558404427 /nfs/dbraw/zinc/40/44/27/558404427.db2.gz XFNGIEYDOPIWFA-FQEVSTJZSA-N 1 1 424.607 2.342 50 0 HEAAMO COc1cc(C[N@@H+](C)CC2CCOCC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012429528 558404429 /nfs/dbraw/zinc/40/44/29/558404429.db2.gz XFNGIEYDOPIWFA-FQEVSTJZSA-N 1 1 424.607 2.342 50 0 HEAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(OCCO)cc3)C[C@@H]2CCO)c1 ZINC000020775711 558411803 /nfs/dbraw/zinc/41/18/03/558411803.db2.gz REPCJTCGSHUAQO-NRFANRHFSA-N 1 1 400.519 2.135 50 0 HEAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(OCCO)cc3)C[C@@H]2CCO)c1 ZINC000020775711 558411806 /nfs/dbraw/zinc/41/18/06/558411806.db2.gz REPCJTCGSHUAQO-NRFANRHFSA-N 1 1 400.519 2.135 50 0 HEAAMO COc1cccc(CN2CC[N@H+](Cc3ccc(OCCO)cc3)C[C@@H]2CCO)c1 ZINC000020775711 558411809 /nfs/dbraw/zinc/41/18/09/558411809.db2.gz REPCJTCGSHUAQO-NRFANRHFSA-N 1 1 400.519 2.135 50 0 HEAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(OCCO)cc3)C[C@@H]2CCO)c1 ZINC000020775711 558411810 /nfs/dbraw/zinc/41/18/10/558411810.db2.gz REPCJTCGSHUAQO-NRFANRHFSA-N 1 1 400.519 2.135 50 0 HEAAMO O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000012448450 558415414 /nfs/dbraw/zinc/41/54/14/558415414.db2.gz NFEICDPHDDMJHG-UHFFFAOYSA-N 1 1 412.444 2.348 50 0 HEAAMO O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000012448450 558415416 /nfs/dbraw/zinc/41/54/16/558415416.db2.gz NFEICDPHDDMJHG-UHFFFAOYSA-N 1 1 412.444 2.348 50 0 HEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1C ZINC000020993599 558426121 /nfs/dbraw/zinc/42/61/21/558426121.db2.gz UJRKOXRSRJGQKX-MRXNPFEDSA-N 1 1 415.538 2.495 50 0 HEAAMO COc1cccc(C[N@@H+]2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)c1 ZINC000020999749 558428151 /nfs/dbraw/zinc/42/81/51/558428151.db2.gz WUUWUEXFRDGRGB-UHFFFAOYSA-N 1 1 421.501 2.040 50 0 HEAAMO Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793844 558449297 /nfs/dbraw/zinc/44/92/97/558449297.db2.gz ILTZBFNPBQCYPU-UHFFFAOYSA-N 1 1 401.898 2.237 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1 ZINC000012704623 558449301 /nfs/dbraw/zinc/44/93/01/558449301.db2.gz GMGDAZXJOPAMQG-LJQANCHMSA-N 1 1 417.550 2.307 50 0 HEAAMO C[N@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccc(C(F)(F)F)cc1 ZINC000012998669 558499381 /nfs/dbraw/zinc/49/93/81/558499381.db2.gz NLOMDHQCNWVZSZ-QGZVFWFLSA-N 1 1 407.392 2.417 50 0 HEAAMO C[N@@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccc(C(F)(F)F)cc1 ZINC000012998669 558499384 /nfs/dbraw/zinc/49/93/84/558499384.db2.gz NLOMDHQCNWVZSZ-QGZVFWFLSA-N 1 1 407.392 2.417 50 0 HEAAMO C[C@@H]1C[N@@H+](CCNC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)C[C@H](C)O1 ZINC000022612095 558502164 /nfs/dbraw/zinc/50/21/64/558502164.db2.gz HTYDWFSIPHVBLP-CALCHBBNSA-N 1 1 423.513 2.441 50 0 HEAAMO C[C@@H]1C[N@H+](CCNC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)C[C@H](C)O1 ZINC000022612095 558502169 /nfs/dbraw/zinc/50/21/69/558502169.db2.gz 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Cc1ccccc1OC[C@H](O)CN1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC000022921300 558522635 /nfs/dbraw/zinc/52/26/35/558522635.db2.gz DMEZKSJENAMQBF-SZPZYZBQSA-N 1 1 414.546 2.101 50 0 HEAAMO CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000023240064 558544891 /nfs/dbraw/zinc/54/48/91/558544891.db2.gz HPYULEWSFNSJGW-SFTDATJTSA-N 1 1 419.566 2.313 50 0 HEAAMO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000004434576 558556782 /nfs/dbraw/zinc/55/67/82/558556782.db2.gz ZHLGRXDFLBUPOK-FQEVSTJZSA-N 1 1 409.596 2.465 50 0 HEAAMO O=C(Nc1ccccc1)N1CCC(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000023641501 558564326 /nfs/dbraw/zinc/56/43/26/558564326.db2.gz WPZIXZCHHKDORO-HXUWFJFHSA-N 1 1 400.523 2.254 50 0 HEAAMO C[NH+]1CCN(C(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000013677141 558564944 /nfs/dbraw/zinc/56/49/44/558564944.db2.gz UBLLFMUAHVFFHJ-UHFFFAOYSA-N 1 1 405.495 2.180 50 0 HEAAMO O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC[NH+](Cc2ccccc2)CC1 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COc1ccc(C[N@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cc1Cn1cncn1 ZINC000091914598 559074543 /nfs/dbraw/zinc/07/45/43/559074543.db2.gz JMQNTFRAAAKMGY-VGSWGCGISA-N 1 1 400.523 2.335 50 0 HEAAMO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC000095369014 559080253 /nfs/dbraw/zinc/08/02/53/559080253.db2.gz ZMRCAKDDPHGXLE-DYESRHJHSA-N 1 1 401.532 2.242 50 0 HEAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2C1 ZINC000095369014 559080255 /nfs/dbraw/zinc/08/02/55/559080255.db2.gz ZMRCAKDDPHGXLE-DYESRHJHSA-N 1 1 401.532 2.242 50 0 HEAAMO Cc1nnc(SCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000096436037 559110252 /nfs/dbraw/zinc/11/02/52/559110252.db2.gz SJTSNIZHQMNVAZ-GOSISDBHSA-N 1 1 419.526 2.422 50 0 HEAAMO O=C1C[C@H]([NH2+]Cc2ccncc2)C(=O)N1c1ccc(I)cc1 ZINC000100552124 559136366 /nfs/dbraw/zinc/13/63/66/559136366.db2.gz JERQJEQJTXKCNS-AWEZNQCLSA-N 1 1 407.211 2.108 50 0 HEAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000017306164 560707201 /nfs/dbraw/zinc/70/72/01/560707201.db2.gz DOXYWHNAURHSIO-OAHLLOKOSA-N 1 1 410.453 2.154 50 0 HEAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000017306164 560707202 /nfs/dbraw/zinc/70/72/02/560707202.db2.gz DOXYWHNAURHSIO-OAHLLOKOSA-N 1 1 410.453 2.154 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000101701748 560798443 /nfs/dbraw/zinc/79/84/43/560798443.db2.gz OIGJBMPHGVHCCE-KRWDZBQOSA-N 1 1 402.926 2.159 50 0 HEAAMO C[NH+](C)CCN(C(=O)Nc1ncc(-c2ccccc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000095462286 568621240 /nfs/dbraw/zinc/62/12/40/568621240.db2.gz PCSGQHJJFKCDNN-HNNXBMFYSA-N 1 1 408.549 2.393 50 0 HEAAMO CC[N@@H+](CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1 ZINC000020985098 568655100 /nfs/dbraw/zinc/65/51/00/568655100.db2.gz UQULXHXYMKUUAB-UHFFFAOYSA-N 1 1 418.544 2.299 50 0 HEAAMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CCn3c4ccccc4oc3=O)cc2)CC1 ZINC000095991536 568677733 /nfs/dbraw/zinc/67/77/33/568677733.db2.gz DXMZCBHHNJNNDK-UHFFFAOYSA-N 1 1 422.485 2.287 50 0 HEAAMO C[NH+](C)CCN(C(=O)/C=C\c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000096054739 568687292 /nfs/dbraw/zinc/68/72/92/568687292.db2.gz VOMNMPJKHPTBCN-TXNVCOODSA-N 1 1 421.382 2.101 50 0 HEAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1ccc2c(cnc3ccnn32)c1=O ZINC000299754488 568782250 /nfs/dbraw/zinc/78/22/50/568782250.db2.gz XKICDWOBYLFPDY-IEBWSBKVSA-N 1 1 422.533 2.157 50 0 biogenic HEAAMO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029095342 568819188 /nfs/dbraw/zinc/81/91/88/568819188.db2.gz QBCYPAJTWVTKIG-SFHVURJKSA-N 1 1 413.493 2.444 50 0 HEAAMO C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029095342 568819189 /nfs/dbraw/zinc/81/91/89/568819189.db2.gz QBCYPAJTWVTKIG-SFHVURJKSA-N 1 1 413.493 2.444 50 0 HEAAMO CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CC[N@@H+](CC)C[C@H]32)C1=O ZINC000057099744 568824129 /nfs/dbraw/zinc/82/41/29/568824129.db2.gz ORULVQPKGJSAEF-KRWDZBQOSA-N 1 1 418.925 2.224 50 0 HEAAMO CCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000057891728 568866237 /nfs/dbraw/zinc/86/62/37/568866237.db2.gz XMOPIQSKRGEAFH-HXUWFJFHSA-N 1 1 408.502 2.468 50 0 HEAAMO NC(=O)[C@@H]1CC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)=NN1c1ccccc1 ZINC000057991323 568873126 /nfs/dbraw/zinc/87/31/26/568873126.db2.gz ZEHBMWWUZJHNST-UNMCSNQZSA-N 1 1 419.529 2.278 50 0 HEAAMO CC[C@@](C)(CNC(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000031162306 568916689 /nfs/dbraw/zinc/91/66/89/568916689.db2.gz ZMKFWSWKFNFETD-GMAHTHKFSA-N 1 1 418.582 2.168 50 0 HEAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(C(F)(F)F)nc1 ZINC000670460180 568949034 /nfs/dbraw/zinc/94/90/34/568949034.db2.gz YQNHDCIEVNPXSS-BSLVTKGXSA-N 1 1 416.447 2.398 50 0 HEAAMO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000015681852 568968384 /nfs/dbraw/zinc/96/83/84/568968384.db2.gz DJEPTPLCNASMMH-UHFFFAOYSA-N 1 1 416.497 2.379 50 0 HEAAMO Cc1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000012911911 569021857 /nfs/dbraw/zinc/02/18/57/569021857.db2.gz IECWSQPCDNCFCL-UHFFFAOYSA-N 1 1 421.588 2.330 50 0 HEAAMO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000012915135 569022210 /nfs/dbraw/zinc/02/22/10/569022210.db2.gz LBFZCIIRBHYYGC-LBPRGKRZSA-N 1 1 421.847 2.460 50 0 HEAAMO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000012915135 569022211 /nfs/dbraw/zinc/02/22/11/569022211.db2.gz LBFZCIIRBHYYGC-LBPRGKRZSA-N 1 1 421.847 2.460 50 0 HEAAMO O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000252570574 569051345 /nfs/dbraw/zinc/05/13/45/569051345.db2.gz WUMOGGAJJHRNBD-NEWSRXKRSA-N 1 1 416.497 2.221 50 0 HEAAMO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000240278356 569054543 /nfs/dbraw/zinc/05/45/43/569054543.db2.gz DQPUICHZYFTAJX-DLBZAZTESA-N 1 1 406.324 2.499 50 0 HEAAMO COc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5ccccc5NC4=O)[C@H]3C2=O)c1 ZINC000245226053 569055210 /nfs/dbraw/zinc/05/52/10/569055210.db2.gz GMNXXRIOIFEQEK-LVBDUCALSA-N 1 1 403.438 2.126 50 0 HEAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245311363 569055701 /nfs/dbraw/zinc/05/57/01/569055701.db2.gz OASZSDRWHDSHDS-KEXUJGGDSA-N 1 1 421.428 2.266 50 0 HEAAMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245311363 569055702 /nfs/dbraw/zinc/05/57/02/569055702.db2.gz OASZSDRWHDSHDS-KEXUJGGDSA-N 1 1 421.428 2.266 50 0 HEAAMO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4Cl)C3=O)[C@H]2C1 ZINC000245325696 569055886 /nfs/dbraw/zinc/05/58/86/569055886.db2.gz HJSFJQDWUUWQDX-GCJKJVERSA-N 1 1 424.888 2.286 50 0 HEAAMO C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4Cl)C3=O)[C@H]2C1 ZINC000245325696 569055887 /nfs/dbraw/zinc/05/58/87/569055887.db2.gz HJSFJQDWUUWQDX-GCJKJVERSA-N 1 1 424.888 2.286 50 0 HEAAMO Cn1ncc2c3ccccc3n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c2c1=O ZINC000064775822 569093686 /nfs/dbraw/zinc/09/36/86/569093686.db2.gz OWEVIHQDHBKVGQ-UHFFFAOYSA-N 1 1 415.497 2.233 50 0 HEAAMO CCn1c2c(C(=O)NCC(C)C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835962 569104631 /nfs/dbraw/zinc/10/46/31/569104631.db2.gz IDNOJSNXNQSMKF-UHFFFAOYSA-N 1 1 407.518 2.460 50 0 HEAAMO C[NH+]1CCN(CC(=O)N2N=C(c3cccc(F)c3)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036345621 569143397 /nfs/dbraw/zinc/14/33/97/569143397.db2.gz KJCVOJWYVHOTMF-FQEVSTJZSA-N 1 1 424.476 2.480 50 0 HEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)C1 ZINC000006839841 569151152 /nfs/dbraw/zinc/15/11/52/569151152.db2.gz RIUQQNMSTBTXQE-HNNXBMFYSA-N 1 1 416.547 2.226 50 0 HEAAMO CCC(=O)Nc1ccc(OCc2cc(C(=O)NCCC[NH+]3CCOCC3)no2)cc1 ZINC000065027243 569155959 /nfs/dbraw/zinc/15/59/59/569155959.db2.gz RWHMJAMBLDENBU-UHFFFAOYSA-N 1 1 416.478 2.054 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2=O)CC1 ZINC000065172547 569189847 /nfs/dbraw/zinc/18/98/47/569189847.db2.gz RHNIQSMEALGEEL-UHFFFAOYSA-N 1 1 417.513 2.470 50 0 HEAAMO C[C@@H](NC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000065226858 569200132 /nfs/dbraw/zinc/20/01/32/569200132.db2.gz MREVLQJISVFLNQ-GOSISDBHSA-N 1 1 408.550 2.322 50 0 HEAAMO COc1ccc2c(ccn2CC(=O)NCC[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000524731392 569212336 /nfs/dbraw/zinc/21/23/36/569212336.db2.gz VREDRVMSHSWCDT-MJGOQNOKSA-N 1 1 420.513 2.047 50 0 HEAAMO COc1ccc2[nH]c(C(=O)NCC[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2c1 ZINC000524732239 569212619 /nfs/dbraw/zinc/21/26/19/569212619.db2.gz RXISVCJDZHHTNA-WBVHZDCISA-N 1 1 406.486 2.187 50 0 HEAAMO CCn1c2cc(C(=O)NCC[N@H+]3CCc4ccccc4C3)ccc2n2nccc2c1=O ZINC000065270845 569213449 /nfs/dbraw/zinc/21/34/49/569213449.db2.gz BGWANISKWOJFLS-UHFFFAOYSA-N 1 1 415.497 2.457 50 0 HEAAMO CC[C@@]1([NH+]2CCN(C(=O)COc3cccc(Cl)c3)CC2)CCN(C(=O)NC)C1 ZINC000065292066 569217771 /nfs/dbraw/zinc/21/77/71/569217771.db2.gz JTLFGNUIEZGZRR-HXUWFJFHSA-N 1 1 408.930 2.057 50 0 HEAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000252453000 569286315 /nfs/dbraw/zinc/28/63/15/569286315.db2.gz UZVDMPJEMKGGDB-NFAWXSAZSA-N 1 1 417.622 2.480 50 0 HEAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)C4CCOCC4)CC3)C2)CC1 ZINC000581820110 569320923 /nfs/dbraw/zinc/32/09/23/569320923.db2.gz RHJPSXJPWOOAFJ-OAQYLSRUSA-N 1 1 407.599 2.227 50 0 HEAAMO COc1ccc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1O ZINC000253408753 569366356 /nfs/dbraw/zinc/36/63/56/569366356.db2.gz LARFLFPVWIHJEQ-HNNXBMFYSA-N 1 1 402.447 2.053 50 0 biogenic HEAAMO CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCC(=O)N3CCc4ccccc43)CC2)n1 ZINC000079022041 569424332 /nfs/dbraw/zinc/42/43/32/569424332.db2.gz SZMLVISSRVZBKE-KRWDZBQOSA-N 1 1 413.522 2.264 50 0 HEAAMO COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)c1 ZINC000079192088 569429282 /nfs/dbraw/zinc/42/92/82/569429282.db2.gz FCHGOGKJKSZNPZ-GHTZIAJQSA-N 1 1 410.518 2.300 50 0 biogenic HEAAMO CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCC[N@@H+](C)CC4)ccn3n2)cc1 ZINC000067262528 571061837 /nfs/dbraw/zinc/06/18/37/571061837.db2.gz GPZMTWKXNXNBRS-UHFFFAOYSA-N 1 1 423.517 2.116 50 0 HEAAMO O=C(C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2)N1CCCC1 ZINC000067317615 571076355 /nfs/dbraw/zinc/07/63/55/571076355.db2.gz PZZQSDYKVVZCQL-UHFFFAOYSA-N 1 1 412.412 2.281 50 0 HEAAMO CCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccc(Cl)cc2)n(C)c1=O ZINC000008725122 571108047 /nfs/dbraw/zinc/10/80/47/571108047.db2.gz JEVPSMITYZOYMT-UHFFFAOYSA-N 1 1 400.870 2.356 50 0 HEAAMO COc1ccc(Nc2nc(-c3cnc(N4CC[NH+](C)CC4)nc3C)cc(=O)[nH]2)cc1 ZINC000039383761 571131720 /nfs/dbraw/zinc/13/17/20/571131720.db2.gz UPOFKUUNYGBIFN-UHFFFAOYSA-N 1 1 407.478 2.039 50 0 HEAAMO O=C(CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCN(c2ncccn2)CC1 ZINC000040153715 571201179 /nfs/dbraw/zinc/20/11/79/571201179.db2.gz SMGGOSWQPBTCBD-IBGZPJMESA-N 1 1 415.925 2.242 50 0 HEAAMO O=C(CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCN(c2ncccn2)CC1 ZINC000040153715 571201181 /nfs/dbraw/zinc/20/11/81/571201181.db2.gz SMGGOSWQPBTCBD-IBGZPJMESA-N 1 1 415.925 2.242 50 0 HEAAMO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000009528426 571266229 /nfs/dbraw/zinc/26/62/29/571266229.db2.gz ZSMOLEJEXNURTP-GOSISDBHSA-N 1 1 409.577 2.299 50 0 HEAAMO Cc1nn(-c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)c2c1C(=O)CCC2 ZINC000021163537 571315034 /nfs/dbraw/zinc/31/50/34/571315034.db2.gz QCCRFDGQYJHWMA-UHFFFAOYSA-N 1 1 409.534 2.067 50 0 HEAAMO C[N@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802672 1078772452 /nfs/dbraw/zinc/77/24/52/1078772452.db2.gz MOILPBIZXCMKSG-HXUWFJFHSA-N 1 1 422.529 2.020 50 0 HEAAMO O=C(c1cccs1)N1CCC(N2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000581814197 1078794209 /nfs/dbraw/zinc/79/42/09/1078794209.db2.gz BCKQWYLSWDJJOP-KDURUIRLSA-N 1 1 423.538 2.470 50 0 HEAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(c3ccccc3O)CC2)CC1 ZINC000007349246 132323863 /nfs/dbraw/zinc/32/38/63/132323863.db2.gz 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CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000045966790 521633394 /nfs/dbraw/zinc/63/33/94/521633394.db2.gz QRAVIBINIPEXNG-LJQANCHMSA-N 1 1 406.958 2.088 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000045966790 521633396 /nfs/dbraw/zinc/63/33/96/521633396.db2.gz QRAVIBINIPEXNG-LJQANCHMSA-N 1 1 406.958 2.088 50 0 HEAAMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000032795855 524026851 /nfs/dbraw/zinc/02/68/51/524026851.db2.gz NHUZJSYMSCPVRM-FQEVSTJZSA-N 1 1 409.534 2.436 50 0 HEAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000032930730 524236766 /nfs/dbraw/zinc/23/67/66/524236766.db2.gz RCVLKBVDVNZVMF-QGZVFWFLSA-N 1 1 405.502 2.340 50 0 HEAAMO O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032400507 526479201 /nfs/dbraw/zinc/47/92/01/526479201.db2.gz OQIGMBPIVDWGPJ-UHFFFAOYSA-N 1 1 412.534 2.196 50 0 HEAAMO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4Cl)C3=O)[C@@H]2C1 ZINC000009128732 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CCOC[C@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156789 569101772 /nfs/dbraw/zinc/10/17/72/569101772.db2.gz YWESHBWWNLMNHM-CQSZACIVSA-N 1 1 409.552 2.099 50 0 HEAAMO CCOC[C@@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156791 569101791 /nfs/dbraw/zinc/10/17/91/569101791.db2.gz YWESHBWWNLMNHM-AWEZNQCLSA-N 1 1 409.552 2.099 50 0 HEAAMO CCOC[C@@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156791 569101792 /nfs/dbraw/zinc/10/17/92/569101792.db2.gz YWESHBWWNLMNHM-AWEZNQCLSA-N 1 1 409.552 2.099 50 0 HEAAMO COCCN(C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000169679001 569126602 /nfs/dbraw/zinc/12/66/02/569126602.db2.gz ZFPHUTIURXRJMP-GOTSBHOMSA-N 1 1 412.530 2.080 50 0 HEAAMO COCCN(C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000169679001 569126605 /nfs/dbraw/zinc/12/66/05/569126605.db2.gz ZFPHUTIURXRJMP-GOTSBHOMSA-N 1 1 412.530 2.080 50 0 HEAAMO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCC[N@@H+]1CCCC[C@H]1C)nc2C 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CN1CC[NH+](CCCNC(=O)CC2=C3CCCC[C@@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581793362 1078776156 /nfs/dbraw/zinc/77/61/56/1078776156.db2.gz XAUIMIOWWGOFLB-QHCPKHFHSA-N 1 1 424.589 2.412 50 0 HEAAMO CN(C)C(=O)c1ccc(N2CCC([N@H+]3CCCN(c4ncccn4)CC3)CC2)cc1 ZINC000011790346 132350764 /nfs/dbraw/zinc/35/07/64/132350764.db2.gz IIUBKNRKKUSCQL-UHFFFAOYSA-N 1 1 408.550 2.360 50 0 HEAAMO COc1cccc(CN2C[C@@H](C(=O)N3CCN(c4cccc(C)[nH+]4)CC3)CCC2=O)c1 ZINC000012076202 132353519 /nfs/dbraw/zinc/35/35/19/132353519.db2.gz KXUNYUYFEGKNNE-FQEVSTJZSA-N 1 1 422.529 2.486 50 0 HEAAMO CCS(=O)(=O)NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000012244235 132357701 /nfs/dbraw/zinc/35/77/01/132357701.db2.gz OHVVGLKWKAKFEM-UHFFFAOYSA-N 1 1 418.563 2.112 50 0 HEAAMO CCN1CCN(c2ncnc3sc(C(=O)NCCC[NH+]4CCCC4)c(C)c32)CC1 ZINC000033048348 132501521 /nfs/dbraw/zinc/50/15/21/132501521.db2.gz FGGLZJNNBMAKED-UHFFFAOYSA-N 1 1 416.595 2.357 50 0 HEAAMO CCN1CC[NH+](CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000032974387 521679502 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CS(=O)(=O)Nc1ccc(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000045734007 525219567 /nfs/dbraw/zinc/21/95/67/525219567.db2.gz LTWIJGJERPQHRX-UHFFFAOYSA-N 1 1 416.547 2.128 50 0 HEAAMO O=C(c1nn(Cc2ccccc2)c2c1C[N@@H+]([C@H]1CCSC1)CC2)N1CCOCC1 ZINC000020538050 526927427 /nfs/dbraw/zinc/92/74/27/526927427.db2.gz QWSRWHRJKVHWJQ-SFHVURJKSA-N 1 1 412.559 2.267 50 0 HEAAMO O=C(c1nn(Cc2ccccc2)c2c1C[N@H+]([C@H]1CCSC1)CC2)N1CCOCC1 ZINC000020538050 526927431 /nfs/dbraw/zinc/92/74/31/526927431.db2.gz QWSRWHRJKVHWJQ-SFHVURJKSA-N 1 1 412.559 2.267 50 0 HEAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O ZINC000034696021 557379348 /nfs/dbraw/zinc/37/93/48/557379348.db2.gz IVKWFHYVIFUJDE-QFIPXVFZSA-N 1 1 421.541 2.469 50 0 HEAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)CCN(Cc2c(F)cccc2Cl)C3=O)CC1 ZINC000034811298 557464291 /nfs/dbraw/zinc/46/42/91/557464291.db2.gz MGWOCEIBRMEDSX-UHFFFAOYSA-N 1 1 419.888 2.109 50 0 HEAAMO COCc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)o1 ZINC000019743867 558264501 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1 417.550 2.497 50 0 HEAAMO Cc1cccc2[nH]c(CN(C)C(=O)C[C@H]3C(=O)NCC[N@H+]3CCc3ccccc3)nc21 ZINC000011936411 558300504 /nfs/dbraw/zinc/30/05/04/558300504.db2.gz ATOWHAVNMCJQSH-FQEVSTJZSA-N 1 1 419.529 2.263 50 0 HEAAMO Cc1cccc2[nH]c(CN(C)C(=O)C[C@H]3C(=O)NCC[N@@H+]3CCc3ccccc3)nc21 ZINC000011936411 558300507 /nfs/dbraw/zinc/30/05/07/558300507.db2.gz ATOWHAVNMCJQSH-FQEVSTJZSA-N 1 1 419.529 2.263 50 0 HEAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011996695 558306930 /nfs/dbraw/zinc/30/69/30/558306930.db2.gz UZBTXGNANGUCPF-HXUWFJFHSA-N 1 1 405.558 2.385 50 0 HEAAMO Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000019920749 558307055 /nfs/dbraw/zinc/30/70/55/558307055.db2.gz UBMPIPDYEUVCBI-QHCPKHFHSA-N 1 1 402.498 2.498 50 0 HEAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CCn1cnnn1 ZINC000012029686 558311047 /nfs/dbraw/zinc/31/10/47/558311047.db2.gz MBGCBPVMSZTUQU-KRWDZBQOSA-N 1 1 424.471 2.495 50 0 HEAAMO COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CN1CC[NH+](C)CC1 ZINC000020130802 558337238 /nfs/dbraw/zinc/33/72/38/558337238.db2.gz YVYOZCCKZRUVNY-UHFFFAOYSA-N 1 1 410.268 2.168 50 0 HEAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)[N@H+](C3CCCC3)C2)nn1 ZINC000012164854 558342226 /nfs/dbraw/zinc/34/22/26/558342226.db2.gz OFJLBVUOVQPJKU-PBHICJAKSA-N 1 1 403.508 2.001 50 0 HEAAMO Cc1c(OCC(=O)N2CC[NH+](C)CC2)ccc2c(C)c(Br)c(=O)oc12 ZINC000020412129 558360862 /nfs/dbraw/zinc/36/08/62/558360862.db2.gz LJSSYXJQFATZCS-UHFFFAOYSA-N 1 1 409.280 2.325 50 0 HEAAMO C[C@@H](c1ccon1)N(C)Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000012301691 558371453 /nfs/dbraw/zinc/37/14/53/558371453.db2.gz FFMNVIYFPXMFGW-AWEZNQCLSA-N 1 1 402.524 2.355 50 0 HEAAMO Cc1n[nH]cc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012302567 558372386 /nfs/dbraw/zinc/37/23/86/558372386.db2.gz FZSBIUKLFIOPJQ-LJQANCHMSA-N 1 1 409.534 2.351 50 0 HEAAMO Cc1nc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793836 558449241 /nfs/dbraw/zinc/44/92/41/558449241.db2.gz FMYUYSRZBXFQQN-UHFFFAOYSA-N 1 1 401.898 2.237 50 0 HEAAMO CC(C)(C)NC(=O)CN1CCC[N@H+](CC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000022812092 558514365 /nfs/dbraw/zinc/51/43/65/558514365.db2.gz HPGPSXLKMAGYJK-UHFFFAOYSA-N 1 1 412.578 2.225 50 0 HEAAMO CC(C)(C)NC(=O)CN1CCC[N@@H+](CC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000022812092 558514368 /nfs/dbraw/zinc/51/43/68/558514368.db2.gz HPGPSXLKMAGYJK-UHFFFAOYSA-N 1 1 412.578 2.225 50 0 HEAAMO COc1ccc2c(C)c(CCC(=O)NCCC[NH+]3CCOCC3)c(=O)oc2c1C ZINC000013692572 558573934 /nfs/dbraw/zinc/57/39/34/558573934.db2.gz BMYLKOWFBBLOBD-UHFFFAOYSA-N 1 1 402.491 2.190 50 0 HEAAMO CCn1ncc(C2=NC(NN[C@@H]3OC(=O)c4ccccc43)=[NH+][C@H](C(F)F)C2)c1C ZINC000013960837 558608761 /nfs/dbraw/zinc/60/87/61/558608761.db2.gz NZBHXHHACCFLON-DOTOQJQBSA-N 1 1 402.405 2.357 50 0 HEAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(SC)cc1)CC2 ZINC000014882731 558676616 /nfs/dbraw/zinc/67/66/16/558676616.db2.gz DWJFRBCABIMMMI-OAHLLOKOSA-N 1 1 403.552 2.272 50 0 HEAAMO Cc1ccsc1C[N@@H+]1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1 ZINC000014995308 558696066 /nfs/dbraw/zinc/69/60/66/558696066.db2.gz XNTJUOBCFKDZGR-UHFFFAOYSA-N 1 1 411.531 2.402 50 0 HEAAMO C[NH+](C)[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1)c1ccccc1Cl ZINC000029049419 558709063 /nfs/dbraw/zinc/70/90/63/558709063.db2.gz WKGKAFXHBKMCAF-GOSISDBHSA-N 1 1 424.954 2.485 50 0 HEAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccnc3N3CCOCC3)CC2)cc1 ZINC000029101128 558709947 /nfs/dbraw/zinc/70/99/47/558709947.db2.gz QGHZOWDBZSXCAI-UHFFFAOYSA-N 1 1 410.518 2.275 50 0 HEAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccnc3N3CCOCC3)CC2)cc1 ZINC000029101128 558709948 /nfs/dbraw/zinc/70/99/48/558709948.db2.gz QGHZOWDBZSXCAI-UHFFFAOYSA-N 1 1 410.518 2.275 50 0 HEAAMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC000030030305 558726715 /nfs/dbraw/zinc/72/67/15/558726715.db2.gz CBCIYWJFWMWXOS-QFIPXVFZSA-N 1 1 418.497 2.451 50 0 HEAAMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC000030030305 558726716 /nfs/dbraw/zinc/72/67/16/558726716.db2.gz CBCIYWJFWMWXOS-QFIPXVFZSA-N 1 1 418.497 2.451 50 0 HEAAMO Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000015671283 558748458 /nfs/dbraw/zinc/74/84/58/558748458.db2.gz KPMHZIYXYUNFKD-UHFFFAOYSA-N 1 1 419.526 2.425 50 0 HEAAMO COCC[N@H+]1CCc2nc3sc(SCC(=O)c4ccccc4)nn3c(=O)c2C1 ZINC000015922221 558762203 /nfs/dbraw/zinc/76/22/03/558762203.db2.gz JTZFRBRQJWUMIJ-UHFFFAOYSA-N 1 1 416.528 2.131 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@H](O)COc3ccccc3F)CC2)cc1 ZINC000034887439 558786578 /nfs/dbraw/zinc/78/65/78/558786578.db2.gz DCXOHDCEBGOJAR-SFHVURJKSA-N 1 1 422.522 2.270 50 0 HEAAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@H](O)COc3ccccc3F)CC2)cc1 ZINC000034887439 558786580 /nfs/dbraw/zinc/78/65/80/558786580.db2.gz DCXOHDCEBGOJAR-SFHVURJKSA-N 1 1 422.522 2.270 50 0 HEAAMO COc1cccc(NC(=O)CCC2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c1 ZINC000019339804 558871335 /nfs/dbraw/zinc/87/13/35/558871335.db2.gz GRSZGJPJVYXAHI-UHFFFAOYSA-N 1 1 403.523 2.375 50 0 HEAAMO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCCN4CCCC4)c(C)c32)CC1 ZINC000033048396 558885537 /nfs/dbraw/zinc/88/55/37/558885537.db2.gz JTOJYXMIGANJGB-UHFFFAOYSA-N 1 1 416.595 2.357 50 0 HEAAMO CCCn1c(N)c(C(=O)C[N@H+](C)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000058167720 558907519 /nfs/dbraw/zinc/90/75/19/558907519.db2.gz JHSOPARWYZPCNJ-UHFFFAOYSA-N 1 1 406.486 2.433 50 0 HEAAMO CCCn1c(N)c(C(=O)C[N@@H+](C)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000058167720 558907522 /nfs/dbraw/zinc/90/75/22/558907522.db2.gz JHSOPARWYZPCNJ-UHFFFAOYSA-N 1 1 406.486 2.433 50 0 HEAAMO COc1cccnc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071721692 558908040 /nfs/dbraw/zinc/90/80/40/558908040.db2.gz GFSWOPWEYLMPPO-KRWDZBQOSA-N 1 1 400.523 2.029 50 0 HEAAMO O=C([C@@H]1CCC[N@H+](C2CCN(S(=O)(=O)c3ccccc3)CC2)C1)N1CCCC1 ZINC000071751809 558909269 /nfs/dbraw/zinc/90/92/69/558909269.db2.gz HYTQXQRRBBQALM-GOSISDBHSA-N 1 1 405.564 2.174 50 0 HEAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c(C)c1 ZINC000019608379 558946618 /nfs/dbraw/zinc/94/66/18/558946618.db2.gz KWWHCYWNVHGLRC-LJQANCHMSA-N 1 1 405.568 2.200 50 0 HEAAMO CCn1ccnc1CNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019609140 558946903 /nfs/dbraw/zinc/94/69/03/558946903.db2.gz FOSCEKZUYFSUOK-UHFFFAOYSA-N 1 1 408.506 2.139 50 0 HEAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](n2cnnn2)C[N@@H+]1C/C=C/c1ccccc1 ZINC000064166229 558962530 /nfs/dbraw/zinc/96/25/30/558962530.db2.gz LUDKHMSPYJHVKU-YKDNIJDTSA-N 1 1 402.502 2.361 50 0 HEAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](n2cnnn2)C[N@H+]1C/C=C/c1ccccc1 ZINC000064166229 558962533 /nfs/dbraw/zinc/96/25/33/558962533.db2.gz LUDKHMSPYJHVKU-YKDNIJDTSA-N 1 1 402.502 2.361 50 0 HEAAMO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cccc1N(C)S(C)(=O)=O ZINC000065365175 558976126 /nfs/dbraw/zinc/97/61/26/558976126.db2.gz XZSCXFMRHNQCQN-UHFFFAOYSA-N 1 1 401.532 2.349 50 0 HEAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000072434108 558979652 /nfs/dbraw/zinc/97/96/52/558979652.db2.gz RCTUZGWUGIRFQP-UHFFFAOYSA-N 1 1 410.478 2.468 50 0 HEAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)[nH+]c(C)n2)c1C ZINC000072441485 558981811 /nfs/dbraw/zinc/98/18/11/558981811.db2.gz OPPXAIRRMIOVJV-UHFFFAOYSA-N 1 1 420.473 2.279 50 0 HEAAMO C[C@H](C(=O)N1CCc2cc(S(=O)(=O)Nc3cccnc3)ccc2C1)[NH+]1CCCC1 ZINC000077453892 559005627 /nfs/dbraw/zinc/00/56/27/559005627.db2.gz GBYLTAOWFZZRDX-MRXNPFEDSA-N 1 1 414.531 2.251 50 0 HEAAMO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCC(F)(F)CC2)[nH]c1=O ZINC000077470248 559006353 /nfs/dbraw/zinc/00/63/53/559006353.db2.gz DPTYRMHGVTZONL-UHFFFAOYSA-N 1 1 405.401 2.265 50 0 HEAAMO CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082091465 559036989 /nfs/dbraw/zinc/03/69/89/559036989.db2.gz WXFQOBCPIBALEP-NRFANRHFSA-N 1 1 410.566 2.150 50 0 HEAAMO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CCO1 ZINC000082121959 559039747 /nfs/dbraw/zinc/03/97/47/559039747.db2.gz JWFSIDUJSBITGU-HXUWFJFHSA-N 1 1 400.567 2.395 50 0 HEAAMO CCN(CC)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082138299 559040445 /nfs/dbraw/zinc/04/04/45/559040445.db2.gz YSGFDSORLVMIPN-LJQANCHMSA-N 1 1 401.555 2.336 50 0 HEAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000082147158 559040881 /nfs/dbraw/zinc/04/08/81/559040881.db2.gz GAJJFJGAWYPAOE-IBGZPJMESA-N 1 1 413.566 2.480 50 0 HEAAMO Cc1ocnc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082157296 559041513 /nfs/dbraw/zinc/04/15/13/559041513.db2.gz YGKXKPFQTAXFBS-KRWDZBQOSA-N 1 1 411.506 2.011 50 0 HEAAMO COc1ccc(OC)c(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000085959502 559057915 /nfs/dbraw/zinc/05/79/15/559057915.db2.gz WTHUYMDQFRSUNJ-FQEVSTJZSA-N 1 1 409.486 2.154 50 0 HEAAMO O=C(C[NH+]1CCCCCC1)N1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1 ZINC000092097902 559075549 /nfs/dbraw/zinc/07/55/49/559075549.db2.gz VZXPLWZRKZESAL-UHFFFAOYSA-N 1 1 401.555 2.059 50 0 HEAAMO CC(C)[C@@H](C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl)[NH+]1CCCC1 ZINC000072294125 559088244 /nfs/dbraw/zinc/08/82/44/559088244.db2.gz PSUDCEATUMQCJB-IBGZPJMESA-N 1 1 409.914 2.401 50 0 HEAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](CCO)C[C@@H]12 ZINC000033428960 559190842 /nfs/dbraw/zinc/19/08/42/559190842.db2.gz BKTKCSYTIZBPQN-ISKFKSNPSA-N 1 1 404.514 2.443 50 0 HEAAMO C[NH+]1CCN(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)CC1 ZINC000004907240 559200655 /nfs/dbraw/zinc/20/06/55/559200655.db2.gz WKICKGYBWSSYGF-UHFFFAOYSA-N 1 1 404.396 2.307 50 0 HEAAMO CCc1nn(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)c(=O)c2cc3sccc3n21 ZINC000005109021 559246838 /nfs/dbraw/zinc/24/68/38/559246838.db2.gz ASKXGWIBEWNKLT-AWEZNQCLSA-N 1 1 401.536 2.264 50 0 HEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000409413197 559250560 /nfs/dbraw/zinc/25/05/60/559250560.db2.gz FPAIKKOANXNREN-LEWJYISDSA-N 1 1 412.538 2.075 50 0 HEAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000583648144 560778954 /nfs/dbraw/zinc/77/89/54/560778954.db2.gz FPAIKKOANXNREN-RTWAWAEBSA-N 1 1 412.538 2.075 50 0 HEAAMO C[NH+](C)[C@@H](CNc1c(=O)c(=O)c1N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000101696641 560798250 /nfs/dbraw/zinc/79/82/50/560798250.db2.gz KEOMFCGDGULYNF-FQEVSTJZSA-N 1 1 404.514 2.324 50 0 HEAAMO CSc1cccc(N2C[C@@H](C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000105653900 560876749 /nfs/dbraw/zinc/87/67/49/560876749.db2.gz USNCGMBRXBULGC-BBWFWOEESA-N 1 1 405.564 2.377 50 0 HEAAMO Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)cn2)n1 ZINC000048248030 568433234 /nfs/dbraw/zinc/43/32/34/568433234.db2.gz NUKDQLAGOIFJJP-UHFFFAOYSA-N 1 1 419.533 2.351 50 0 HEAAMO Cc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000019913233 568585704 /nfs/dbraw/zinc/58/57/04/568585704.db2.gz WRAYGPFDBOADCG-UHFFFAOYSA-N 1 1 401.532 2.105 50 0 HEAAMO CN1CC[NH+](CCCNC(=O)CSc2cc(=O)n(C)c3ccc(Cl)cc23)CC1 ZINC000020280274 568596728 /nfs/dbraw/zinc/59/67/28/568596728.db2.gz JGHUEFYWRRTXLR-UHFFFAOYSA-N 1 1 422.982 2.038 50 0 HEAAMO CCOC(=O)C1C(CN2CC[NH+]([C@@H](C)CC)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020284055 568596917 /nfs/dbraw/zinc/59/69/17/568596917.db2.gz RLQHEAKHHIFDLV-OXJNMPFZSA-N 1 1 400.523 2.274 50 0 HEAAMO O=C(C[C@H]1Oc2ccccc2NC1=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020379677 568602548 /nfs/dbraw/zinc/60/25/48/568602548.db2.gz VFONFGSEMATNSU-JOCHJYFZSA-N 1 1 422.529 2.100 50 0 HEAAMO Cn1c2ccccc2c2cnn(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c21 ZINC000020415704 568605971 /nfs/dbraw/zinc/60/59/71/568605971.db2.gz GFVVICVMQACTSV-UHFFFAOYSA-N 1 1 415.497 2.233 50 0 HEAAMO CCc1n[nH]c(=O)c(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1CC ZINC000225444194 568638447 /nfs/dbraw/zinc/63/84/47/568638447.db2.gz KYZWBBFXGSLUSF-INIZCTEOSA-N 1 1 400.548 2.242 50 0 HEAAMO CC1=C(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)SCCO1 ZINC000020919485 568650778 /nfs/dbraw/zinc/65/07/78/568650778.db2.gz QPRCCGNJJVOUEG-UHFFFAOYSA-N 1 1 405.520 2.072 50 0 HEAAMO O=C(CN(C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1)N1CCNCC1 ZINC000021535059 568711835 /nfs/dbraw/zinc/71/18/35/568711835.db2.gz OAKNKEYPECDWMR-UHFFFAOYSA-N 1 1 420.557 2.225 50 0 HEAAMO O=C([C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096344288 568737326 /nfs/dbraw/zinc/73/73/26/568737326.db2.gz YUERZQCABMUGDX-QGZVFWFLSA-N 1 1 421.476 2.399 50 0 HEAAMO O=C(NCc1cccs1)[C@@H]1C[C@@H](n2cnnn2)C[N@H+]1C1C2CC3CC(C2)CC1C3 ZINC000299771730 568874422 /nfs/dbraw/zinc/87/44/22/568874422.db2.gz VZZRZMGEBJWEAO-XPRXYUEOSA-N 1 1 412.563 2.491 50 0 HEAAMO CC(C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[NH+]1CCOCC1 ZINC000058087691 568884045 /nfs/dbraw/zinc/88/40/45/568884045.db2.gz BDAKPUORLKHREZ-PZJWPPBQSA-N 1 1 419.541 2.080 50 0 HEAAMO CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C(C)C)cc1 ZINC000012735283 568924720 /nfs/dbraw/zinc/92/47/20/568924720.db2.gz VFTKPBCXZZGQOK-LEWJYISDSA-N 1 1 419.566 2.313 50 0 HEAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000004101525 568942820 /nfs/dbraw/zinc/94/28/20/568942820.db2.gz FURGNSVWVPRYDK-HNNXBMFYSA-N 1 1 424.592 2.264 50 0 HEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272378 568957327 /nfs/dbraw/zinc/95/73/27/568957327.db2.gz YELZHZPQUNMNIF-GOSISDBHSA-N 1 1 424.545 2.437 50 0 HEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272380 568957344 /nfs/dbraw/zinc/95/73/44/568957344.db2.gz YELZHZPQUNMNIF-SFHVURJKSA-N 1 1 424.545 2.437 50 0 HEAAMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2C1 ZINC000015880198 569017967 /nfs/dbraw/zinc/01/79/67/569017967.db2.gz KOQOAJURLOZCMU-UHFFFAOYSA-N 1 1 408.549 2.412 50 0 HEAAMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2C1 ZINC000015880198 569017968 /nfs/dbraw/zinc/01/79/68/569017968.db2.gz KOQOAJURLOZCMU-UHFFFAOYSA-N 1 1 408.549 2.412 50 0 HEAAMO CCN(CC)C(=O)[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1OC(C)=O ZINC000000607730 569032870 /nfs/dbraw/zinc/03/28/70/569032870.db2.gz JSZILQVIPPROJI-GUDVDZBRSA-N 1 1 404.507 2.423 50 0 world HEAAMO COc1cccc(C[C@H](C(=O)NCCC[N@H+]2CCCC[C@H]2C)n2nnnc2C)c1 ZINC000241644518 569054914 /nfs/dbraw/zinc/05/49/14/569054914.db2.gz PRLNSIINHHTVHG-OXQOHEQNSA-N 1 1 400.527 2.155 50 0 HEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000244594173 569056088 /nfs/dbraw/zinc/05/60/88/569056088.db2.gz DHTQHYOARHEAEV-IRXDYDNUSA-N 1 1 413.609 2.387 50 0 HEAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000006604635 569070842 /nfs/dbraw/zinc/07/08/42/569070842.db2.gz DHJMYTWZSXUKBL-ZDUSSCGKSA-N 1 1 411.911 2.325 50 0 HEAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000006604635 569070843 /nfs/dbraw/zinc/07/08/43/569070843.db2.gz DHJMYTWZSXUKBL-ZDUSSCGKSA-N 1 1 411.911 2.325 50 0 HEAAMO Cn1c2c(C(=O)NCc3ccco3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836094 569104575 /nfs/dbraw/zinc/10/45/75/569104575.db2.gz IIDQHBAZZOVTRE-UHFFFAOYSA-N 1 1 417.469 2.114 50 0 HEAAMO Cc1nc(CSCC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cs1 ZINC000036392803 569167705 /nfs/dbraw/zinc/16/77/05/569167705.db2.gz XSBZHZSPOSUSCZ-UHFFFAOYSA-N 1 1 418.588 2.389 50 0 HEAAMO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908092 569178772 /nfs/dbraw/zinc/17/87/72/569178772.db2.gz CQGNFEFQSXWVLL-UHFFFAOYSA-N 1 1 406.552 2.309 50 0 HEAAMO CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036569396 569201384 /nfs/dbraw/zinc/20/13/84/569201384.db2.gz ZVVINHNERSCXLG-RLLQIKCJSA-N 1 1 407.580 2.370 50 0 HEAAMO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]CCCc2ccccc2)cc1 ZINC000036595020 569204569 /nfs/dbraw/zinc/20/45/69/569204569.db2.gz ZMJJQDBGMGDZKS-RTWAWAEBSA-N 1 1 421.584 2.411 50 0 HEAAMO COc1cc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)ccc1OCc1ccccc1 ZINC000013128346 569211372 /nfs/dbraw/zinc/21/13/72/569211372.db2.gz NRFKIBHWXYNZBB-NRFANRHFSA-N 1 1 400.519 2.399 50 0 HEAAMO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000170616719 569247565 /nfs/dbraw/zinc/24/75/65/569247565.db2.gz VKNZLQZGJXSERP-LBPRGKRZSA-N 1 1 405.973 2.356 50 0 HEAAMO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000170616719 569247566 /nfs/dbraw/zinc/24/75/66/569247566.db2.gz VKNZLQZGJXSERP-LBPRGKRZSA-N 1 1 405.973 2.356 50 0 HEAAMO COc1ccc(-c2cc(=O)n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)cn2)cc1 ZINC000013807133 569257916 /nfs/dbraw/zinc/25/79/16/569257916.db2.gz TZXKXABGHZIDPO-UHFFFAOYSA-N 1 1 418.497 2.263 50 0 HEAAMO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000089904595 569268079 /nfs/dbraw/zinc/26/80/79/569268079.db2.gz IORWHUMIWBMVIQ-QVKFZJNVSA-N 1 1 416.522 2.060 50 0 HEAAMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000027389767 569312306 /nfs/dbraw/zinc/31/23/06/569312306.db2.gz APSMIDLWJIPLSR-UHFFFAOYSA-N 1 1 406.490 2.333 50 0 HEAAMO O=C(c1ccn[nH]1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820118 569320931 /nfs/dbraw/zinc/32/09/31/569320931.db2.gz RVWUADPJACWWGR-HXUWFJFHSA-N 1 1 409.534 2.386 50 0 HEAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)[NH+]1CCC(C(N)=O)CC1 ZINC000002314404 569373022 /nfs/dbraw/zinc/37/30/22/569373022.db2.gz QCFUAISXPCKNAJ-JTQLQIEISA-N 1 1 406.870 2.132 50 0 HEAAMO C[NH+](C)[C@@](C)(C(=O)NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(F)cc1 ZINC000078903243 569421545 /nfs/dbraw/zinc/42/15/45/569421545.db2.gz HADVVHHDKYUCJZ-OAQYLSRUSA-N 1 1 419.522 2.111 50 0 HEAAMO Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000079488482 569432354 /nfs/dbraw/zinc/43/23/54/569432354.db2.gz RGSZPQYNOMXBKV-OAQYLSRUSA-N 1 1 415.559 2.213 50 0 HEAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)[nH]c(=O)c2C1 ZINC000067291837 571068192 /nfs/dbraw/zinc/06/81/92/571068192.db2.gz RXWMQTTYOGGALK-UHFFFAOYSA-N 1 1 402.476 2.410 50 0 HEAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)[nH]c(=O)c2C1 ZINC000067291837 571068196 /nfs/dbraw/zinc/06/81/96/571068196.db2.gz RXWMQTTYOGGALK-UHFFFAOYSA-N 1 1 402.476 2.410 50 0 HEAAMO C[C@H](C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)n1cnc2ccccc21 ZINC000040111532 571169714 /nfs/dbraw/zinc/16/97/14/571169714.db2.gz COUDPROESQXHTJ-QGZVFWFLSA-N 1 1 405.502 2.301 50 0 HEAAMO NS(=O)(=O)c1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000040153708 571201139 /nfs/dbraw/zinc/20/11/39/571201139.db2.gz CHTVYABNXSXDAA-GOSISDBHSA-N 1 1 423.922 2.390 50 0 HEAAMO NS(=O)(=O)c1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000040153708 571201140 /nfs/dbraw/zinc/20/11/40/571201140.db2.gz CHTVYABNXSXDAA-GOSISDBHSA-N 1 1 423.922 2.390 50 0 HEAAMO COc1ccc(COC[C@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)cc1OC ZINC000009647394 571276530 /nfs/dbraw/zinc/27/65/30/571276530.db2.gz POPDUSTUEJMZBF-GOSISDBHSA-N 1 1 403.475 2.485 50 0 HEAAMO