smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000019859508 291382563 /nfs/dbraw/zinc/38/25/63/291382563.db2.gz DRNFJHDNEUXAMP-UHFFFAOYSA-N 1 1 446.547 4.260 50 0 IIAAMO c1ccc(N2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC2)nc1 ZINC000003447644 132265593 /nfs/dbraw/zinc/26/55/93/132265593.db2.gz BYLVHVQVEOOUMM-UHFFFAOYSA-N 1 1 448.640 4.278 50 0 IIAAMO O=C(C[NH+]1CCCCC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000008453979 132282354 /nfs/dbraw/zinc/28/23/54/132282354.db2.gz XWDHDYOHHPDPOC-UHFFFAOYSA-N 1 1 432.520 4.137 50 0 IIAAMO C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013878795 132355172 /nfs/dbraw/zinc/35/51/72/132355172.db2.gz WULBATBMMKEPSA-KOSHJBKYSA-N 1 1 449.576 4.159 50 0 IIAAMO CC(C)(C)c1cc(NCCC[NH+]2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000020519403 519005599 /nfs/dbraw/zinc/00/55/99/519005599.db2.gz FHHKDDTWXLJDDX-UHFFFAOYSA-N 1 1 427.980 4.481 50 0 IIAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014879874 519698067 /nfs/dbraw/zinc/69/80/67/519698067.db2.gz WYVHNOKIWDNRCP-XMMPIXPASA-N 1 1 431.584 4.227 50 0 IIAAMO CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035907815 519716506 /nfs/dbraw/zinc/71/65/06/519716506.db2.gz LZQUGPRWUMASCB-RBBKRZOGSA-N 1 1 431.502 4.093 50 0 IIAAMO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000013048997 519798265 /nfs/dbraw/zinc/79/82/65/519798265.db2.gz UNNCITIJUFOXEZ-GHTZIAJQSA-N 1 1 448.394 4.139 50 0 IIAAMO CC(C)c1nc(CNCc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cs1 ZINC000012704803 519863550 /nfs/dbraw/zinc/86/35/50/519863550.db2.gz CKVWESMYPLAJIR-HSZRJFAPSA-N 1 1 439.625 4.428 50 0 IIAAMO CCOc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1OC ZINC000020774109 520697865 /nfs/dbraw/zinc/69/78/65/520697865.db2.gz JKLKPJRVNABPGT-HSZRJFAPSA-N 1 1 427.564 4.020 50 0 IIAAMO CCOc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1OC ZINC000020774109 520697867 /nfs/dbraw/zinc/69/78/67/520697867.db2.gz JKLKPJRVNABPGT-HSZRJFAPSA-N 1 1 427.564 4.020 50 0 IIAAMO CCOc1ccc(-c2cc(C(=O)NCCC[NH+]3CCN(CC)CC3)c3ccccc3n2)cc1 ZINC000020682301 520804565 /nfs/dbraw/zinc/80/45/65/520804565.db2.gz UGPIPLKAPNQGSE-UHFFFAOYSA-N 1 1 446.595 4.058 50 0 IIAAMO C=C1C(NCCC[N@@H+](Cc2ccccc2)C(C)C)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020465587 520842293 /nfs/dbraw/zinc/84/22/93/520842293.db2.gz ZHEQLAAVKMEGHJ-UHFFFAOYSA-N 1 1 425.598 4.358 50 0 IIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2ccc(C)cc21 ZINC000012444612 521264196 /nfs/dbraw/zinc/26/41/96/521264196.db2.gz WRLDCXBFMFNRKW-NRFANRHFSA-N 1 1 434.584 4.297 50 0 IIAAMO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1[nH]nc2ccc(C)cc21 ZINC000012444612 521264198 /nfs/dbraw/zinc/26/41/98/521264198.db2.gz WRLDCXBFMFNRKW-NRFANRHFSA-N 1 1 434.584 4.297 50 0 IIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1[nH]nc2ccc(C)cc21 ZINC000012444612 521264206 /nfs/dbraw/zinc/26/42/06/521264206.db2.gz WRLDCXBFMFNRKW-NRFANRHFSA-N 1 1 434.584 4.297 50 0 IIAAMO CCCCc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456218 521278705 /nfs/dbraw/zinc/27/87/05/521278705.db2.gz WPYVFALKFDDWFY-UHFFFAOYSA-N 1 1 444.579 4.091 50 0 IIAAMO CCCCc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456218 521278717 /nfs/dbraw/zinc/27/87/17/521278717.db2.gz WPYVFALKFDDWFY-UHFFFAOYSA-N 1 1 444.579 4.091 50 0 IIAAMO COCCc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)cn1 ZINC000012441177 522035719 /nfs/dbraw/zinc/03/57/19/522035719.db2.gz WQHCFAGHENURJQ-DEOSSOPVSA-N 1 1 444.579 4.492 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012764727 522514335 /nfs/dbraw/zinc/51/43/35/522514335.db2.gz RGEOHYIPFAAHOM-IAGOWNOFSA-N 1 1 429.948 4.335 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012764727 522514345 /nfs/dbraw/zinc/51/43/45/522514345.db2.gz RGEOHYIPFAAHOM-IAGOWNOFSA-N 1 1 429.948 4.335 50 0 IIAAMO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cc(-c2ccsc2)[nH]n1 ZINC000012445540 522658171 /nfs/dbraw/zinc/65/81/71/522658171.db2.gz QAHLHLKCCOOBQE-UHFFFAOYSA-N 1 1 426.561 4.304 50 0 IIAAMO COCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000012431368 522968579 /nfs/dbraw/zinc/96/85/79/522968579.db2.gz QDHPGEPGOTVXHU-QFIPXVFZSA-N 1 1 430.564 4.458 50 0 IIAAMO COCc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000012431368 522968587 /nfs/dbraw/zinc/96/85/87/522968587.db2.gz QDHPGEPGOTVXHU-QFIPXVFZSA-N 1 1 430.564 4.458 50 0 IIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012736623 523196372 /nfs/dbraw/zinc/19/63/72/523196372.db2.gz FLHHSHBGWKYSMS-IBGZPJMESA-N 1 1 445.357 4.016 50 0 IIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012736623 523196382 /nfs/dbraw/zinc/19/63/82/523196382.db2.gz FLHHSHBGWKYSMS-IBGZPJMESA-N 1 1 445.357 4.016 50 0 IIAAMO COCCN(Cc1cccc(-n2cccn2)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012758546 523752243 /nfs/dbraw/zinc/75/22/43/523752243.db2.gz RDLPWQIOKRQVNF-DEOSSOPVSA-N 1 1 444.623 4.200 50 0 IIAAMO COCCN(Cc1cccc(-n2cccn2)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012758546 523752250 /nfs/dbraw/zinc/75/22/50/523752250.db2.gz RDLPWQIOKRQVNF-DEOSSOPVSA-N 1 1 444.623 4.200 50 0 IIAAMO COCCN1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835580 523824078 /nfs/dbraw/zinc/82/40/78/523824078.db2.gz LCRFBQZLFWFDCF-NRFANRHFSA-N 1 1 434.584 4.327 50 0 IIAAMO CCc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+]([C@H](C)c2ccccc2)CC3)cc1 ZINC000020467798 523974643 /nfs/dbraw/zinc/97/46/43/523974643.db2.gz SXRMZFHVKYFOMZ-QGZVFWFLSA-N 1 1 448.592 4.182 50 0 IIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)C1 ZINC000020726757 524222596 /nfs/dbraw/zinc/22/25/96/524222596.db2.gz PIAJTFPSARAPJL-JJWXFRNXSA-N 1 1 449.620 4.405 50 0 IIAAMO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908215 524267836 /nfs/dbraw/zinc/26/78/36/524267836.db2.gz YEMNXJKMIBWARF-NRFANRHFSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908215 524267843 /nfs/dbraw/zinc/26/78/43/524267843.db2.gz YEMNXJKMIBWARF-NRFANRHFSA-N 1 1 433.577 4.219 50 0 IIAAMO COc1ccc(OC)c(NC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012298659 524855173 /nfs/dbraw/zinc/85/51/73/524855173.db2.gz BGJBKPDLYXUISV-IBGZPJMESA-N 1 1 429.536 4.261 50 0 IIAAMO C[C@H](NC(=O)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035869752 525186218 /nfs/dbraw/zinc/18/62/18/525186218.db2.gz DXJUHIVEXNDUNR-IDNYDCHQSA-N 1 1 425.576 4.427 50 0 IIAAMO C[C@H](NC(=S)Nc1cccc(Br)c1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031406 525275611 /nfs/dbraw/zinc/27/56/11/525275611.db2.gz SVUPCISOJZVYMW-JXFKEZNVSA-N 1 1 447.446 4.113 50 0 IIAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 ZINC000020573007 525682809 /nfs/dbraw/zinc/68/28/09/525682809.db2.gz MNDAKVLLEBGIEP-UHFFFAOYSA-N 1 1 445.354 4.002 50 0 IIAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022804559 526162635 /nfs/dbraw/zinc/16/26/35/526162635.db2.gz KNLRZBZTIGEIJV-JOCHJYFZSA-N 1 1 429.564 4.377 50 0 IIAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000012342377 526494885 /nfs/dbraw/zinc/49/48/85/526494885.db2.gz FFJFHAQERBODEW-FQEVSTJZSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000012342377 526494890 /nfs/dbraw/zinc/49/48/90/526494890.db2.gz FFJFHAQERBODEW-FQEVSTJZSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000022908141 526582406 /nfs/dbraw/zinc/58/24/06/526582406.db2.gz KYMNPOROZKTHPY-HXUWFJFHSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000022908141 526582410 /nfs/dbraw/zinc/58/24/10/526582410.db2.gz KYMNPOROZKTHPY-HXUWFJFHSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012900507 526724803 /nfs/dbraw/zinc/72/48/03/526724803.db2.gz GRZJVMRTFYSISI-UHFFFAOYSA-N 1 1 432.915 4.130 50 0 IIAAMO O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012900507 526724809 /nfs/dbraw/zinc/72/48/09/526724809.db2.gz GRZJVMRTFYSISI-UHFFFAOYSA-N 1 1 432.915 4.130 50 0 IIAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2)Nc1ccc(Cl)cc1 ZINC000020467737 527057274 /nfs/dbraw/zinc/05/72/74/527057274.db2.gz PGGKLNDDYIXGAP-UHFFFAOYSA-N 1 1 440.956 4.125 50 0 IIAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2)Nc1ccc(Cl)cc1 ZINC000020467737 527057279 /nfs/dbraw/zinc/05/72/79/527057279.db2.gz PGGKLNDDYIXGAP-UHFFFAOYSA-N 1 1 440.956 4.125 50 0 IIAAMO O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020936050 527150460 /nfs/dbraw/zinc/15/04/60/527150460.db2.gz FIZMHPPSBSCURJ-HSZRJFAPSA-N 1 1 445.588 4.180 50 0 IIAAMO O=C(/C=C/c1ccccc1)N1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020599653 527632820 /nfs/dbraw/zinc/63/28/20/527632820.db2.gz BCSHFQGRARCBHD-QBQQZWISSA-N 1 1 445.607 4.063 50 0 IIAAMO COc1ccc(C[NH+]2CCN(c3ccc(NC(=O)/C=C/c4ccccc4)cn3)CC2)cc1 ZINC000034667913 555792042 /nfs/dbraw/zinc/79/20/42/555792042.db2.gz SHYNIUWRMIHKKP-NTEUORMPSA-N 1 1 428.536 4.064 50 0 IIAAMO Cc1cccc(Cn2c(C(=O)N3CC[NH+](C)CC3)cc3sc(Br)cc32)c1 ZINC000034678465 555797168 /nfs/dbraw/zinc/79/71/68/555797168.db2.gz AAQGDGVVQZSWBD-UHFFFAOYSA-N 1 1 432.387 4.210 50 0 IIAAMO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000034683912 555819501 /nfs/dbraw/zinc/81/95/01/555819501.db2.gz NWUVKPIORVBROX-UHFFFAOYSA-N 1 1 439.556 4.389 50 0 IIAAMO Cc1ccccc1C(=O)N(Cc1ccccc1)c1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000034685506 555821073 /nfs/dbraw/zinc/82/10/73/555821073.db2.gz ZZFJMCKOAMBHNX-UHFFFAOYSA-N 1 1 441.575 4.159 50 0 IIAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855503 555923955 /nfs/dbraw/zinc/92/39/55/555923955.db2.gz LKHZBDSEOZENKB-SBUREZEXSA-N 1 1 425.573 4.289 50 0 IIAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855503 555923956 /nfs/dbraw/zinc/92/39/56/555923956.db2.gz LKHZBDSEOZENKB-SBUREZEXSA-N 1 1 425.573 4.289 50 0 IIAAMO CCCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)cc1 ZINC000034855580 555924396 /nfs/dbraw/zinc/92/43/96/555924396.db2.gz BTNPBXAELKHCCW-KOSHJBKYSA-N 1 1 425.573 4.209 50 0 IIAAMO CCCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000034855580 555924398 /nfs/dbraw/zinc/92/43/98/555924398.db2.gz BTNPBXAELKHCCW-KOSHJBKYSA-N 1 1 425.573 4.209 50 0 IIAAMO COCCN(Cc1c(C)nn(C(C)C)c1C)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011662017 556343531 /nfs/dbraw/zinc/34/35/31/556343531.db2.gz QZJDIFANILZEQY-HSZRJFAPSA-N 1 1 438.660 4.409 50 0 IIAAMO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000011819018 556361090 /nfs/dbraw/zinc/36/10/90/556361090.db2.gz KKYDDHTYRTXRNZ-SFHVURJKSA-N 1 1 429.008 4.322 50 0 IIAAMO CC(C)Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000011819018 556361095 /nfs/dbraw/zinc/36/10/95/556361095.db2.gz KKYDDHTYRTXRNZ-SFHVURJKSA-N 1 1 429.008 4.322 50 0 IIAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012005129 556386266 /nfs/dbraw/zinc/38/62/66/556386266.db2.gz YZHHYDFEEKEVPC-LJQANCHMSA-N 1 1 441.535 4.087 50 0 IIAAMO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012053062 556393144 /nfs/dbraw/zinc/39/31/44/556393144.db2.gz GOGYDIJEXXDSLB-XMMPIXPASA-N 1 1 425.479 4.364 50 0 IIAAMO C[N@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)CCc2nc(-c3ccccc3)no2)C1 ZINC000012057058 556394542 /nfs/dbraw/zinc/39/45/42/556394542.db2.gz GOMMEZFAVPNSPB-JOCHJYFZSA-N 1 1 432.568 4.082 50 0 IIAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238431 556400233 /nfs/dbraw/zinc/40/02/33/556400233.db2.gz JEAIKYLDUVSQGX-RBBKRZOGSA-N 1 1 425.525 4.017 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+]2CCCCC2)cc1 ZINC000028289007 556448771 /nfs/dbraw/zinc/44/87/71/556448771.db2.gz ODIWEGWDHJRFCI-QFIPXVFZSA-N 1 1 434.536 4.375 50 0 IIAAMO Cn1c(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc2ccccc21 ZINC000015073374 556497823 /nfs/dbraw/zinc/49/78/23/556497823.db2.gz FOZYFSRDRWWQFJ-KRWDZBQOSA-N 1 1 426.511 4.160 50 0 IIAAMO Cn1c(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc2ccccc21 ZINC000015073374 556497825 /nfs/dbraw/zinc/49/78/25/556497825.db2.gz FOZYFSRDRWWQFJ-KRWDZBQOSA-N 1 1 426.511 4.160 50 0 IIAAMO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000030590202 556499069 /nfs/dbraw/zinc/49/90/69/556499069.db2.gz WHRKBRQAMNEMOE-PKOBYXMFSA-N 1 1 428.964 4.193 50 0 IIAAMO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000030590202 556499070 /nfs/dbraw/zinc/49/90/70/556499070.db2.gz WHRKBRQAMNEMOE-PKOBYXMFSA-N 1 1 428.964 4.193 50 0 IIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000015947171 556568054 /nfs/dbraw/zinc/56/80/54/556568054.db2.gz YRSHDPJYNKEGEX-LJQANCHMSA-N 1 1 439.562 4.261 50 0 IIAAMO Cc1c(C(=O)N2CCC(C)CC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000071889500 556608442 /nfs/dbraw/zinc/60/84/42/556608442.db2.gz NHEDBALUAUQZEA-UHFFFAOYSA-N 1 1 429.568 4.006 50 0 IIAAMO CCn1c2ccccc2nc1CN(CCOC)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019222990 556716240 /nfs/dbraw/zinc/71/62/40/556716240.db2.gz UNSBLPXESLAUPH-JOCHJYFZSA-N 1 1 446.639 4.384 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@H](c3nncn3C)C2)cc1 ZINC000019227017 556716986 /nfs/dbraw/zinc/71/69/86/556716986.db2.gz MXNKUQZYWCAANX-IBGZPJMESA-N 1 1 446.530 4.195 50 0 IIAAMO O=C(c1cccnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)N1CCCCC1 ZINC000078904369 556736370 /nfs/dbraw/zinc/73/63/70/556736370.db2.gz GCBRZASPPNEIIU-UHFFFAOYSA-N 1 1 446.517 4.439 50 0 IIAAMO COCC[N@@H+](C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1cccc(Cl)c1 ZINC000055325415 556740073 /nfs/dbraw/zinc/74/00/73/556740073.db2.gz LHHPWMIIXPVOJA-UHFFFAOYSA-N 1 1 447.944 4.067 50 0 IIAAMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000058142496 556761363 /nfs/dbraw/zinc/76/13/63/556761363.db2.gz DMBPFOVSEWPSCJ-UHFFFAOYSA-N 1 1 433.430 4.124 50 0 IIAAMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)c2ccc(OCCOC)c(OC)c2)cc1)C(C)C ZINC000058278151 556777268 /nfs/dbraw/zinc/77/72/68/556777268.db2.gz HQEMWGJVDNFAQH-LJQANCHMSA-N 1 1 428.573 4.442 50 0 IIAAMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1C ZINC000058379614 556784387 /nfs/dbraw/zinc/78/43/87/556784387.db2.gz CXEYPIDSWDKHRE-QFIPXVFZSA-N 1 1 442.625 4.313 50 0 IIAAMO COc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C[C@@H]2CCO)cc1C ZINC000019788086 556914051 /nfs/dbraw/zinc/91/40/51/556914051.db2.gz ZRLBYEBJYLBWIF-DEOSSOPVSA-N 1 1 448.611 4.079 50 0 IIAAMO COc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C[C@@H]2CCO)cc1C ZINC000019788086 556914058 /nfs/dbraw/zinc/91/40/58/556914058.db2.gz ZRLBYEBJYLBWIF-DEOSSOPVSA-N 1 1 448.611 4.079 50 0 IIAAMO COc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C[C@@H]2CCO)cc1C ZINC000019788086 556914061 /nfs/dbraw/zinc/91/40/61/556914061.db2.gz ZRLBYEBJYLBWIF-DEOSSOPVSA-N 1 1 448.611 4.079 50 0 IIAAMO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000019925579 556944531 /nfs/dbraw/zinc/94/45/31/556944531.db2.gz RWUIVHVVFWEECH-UHFFFAOYSA-N 1 1 429.564 4.412 50 0 IIAAMO Cc1cccc(-n2cc(C[N@@H+]3CCC[C@H](c4nncn4C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000020233830 557001985 /nfs/dbraw/zinc/00/19/85/557001985.db2.gz VVVKUNWFEDGICD-FQEVSTJZSA-N 1 1 430.531 4.495 50 0 IIAAMO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000023144780 557067929 /nfs/dbraw/zinc/06/79/29/557067929.db2.gz LFQUPXCXQWLTSP-MRXNPFEDSA-N 1 1 441.963 4.083 50 0 IIAAMO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297843 557073519 /nfs/dbraw/zinc/07/35/19/557073519.db2.gz CKAIOLMSJKMRMH-CQSZACIVSA-N 1 1 427.661 4.322 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297843 557073522 /nfs/dbraw/zinc/07/35/22/557073522.db2.gz CKAIOLMSJKMRMH-CQSZACIVSA-N 1 1 427.661 4.322 50 0 IIAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Br ZINC000025061610 557193223 /nfs/dbraw/zinc/19/32/23/557193223.db2.gz RLBNACSXFYOTNI-MRXNPFEDSA-N 1 1 430.346 4.047 50 0 IIAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Br ZINC000025061610 557193226 /nfs/dbraw/zinc/19/32/26/557193226.db2.gz RLBNACSXFYOTNI-MRXNPFEDSA-N 1 1 430.346 4.047 50 0 IIAAMO Cc1ccc(S(=O)(=O)C2(C(=O)NCCC[N@H+](C)Cc3ccccc3)CCCC2)cc1C ZINC000032765991 557315591 /nfs/dbraw/zinc/31/55/91/557315591.db2.gz ZKEXJCIJHPLQPS-UHFFFAOYSA-N 1 1 442.625 4.028 50 0 IIAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3CCN(c4nc5cc(C)ccc5[nH]4)CC3)C2)cc1 ZINC000033070896 557323687 /nfs/dbraw/zinc/32/36/87/557323687.db2.gz KSOSGHVHPJEUBA-JOCHJYFZSA-N 1 1 445.611 4.034 50 0 IIAAMO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3CCN(c4nc5ccc(C)cc5[nH]4)CC3)C2)cc1 ZINC000033070896 557323689 /nfs/dbraw/zinc/32/36/89/557323689.db2.gz KSOSGHVHPJEUBA-JOCHJYFZSA-N 1 1 445.611 4.034 50 0 IIAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3CCN(c4nc5ccc(C)cc5[nH]4)CC3)C2)cc1 ZINC000033070896 557323690 /nfs/dbraw/zinc/32/36/90/557323690.db2.gz KSOSGHVHPJEUBA-JOCHJYFZSA-N 1 1 445.611 4.034 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000103708802 557440943 /nfs/dbraw/zinc/44/09/43/557440943.db2.gz YVKDZHZNDVCQAL-ROUUACIJSA-N 1 1 440.613 4.251 50 0 IIAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000044900616 557540077 /nfs/dbraw/zinc/54/00/77/557540077.db2.gz YDCRRODDBLFHKJ-UHFFFAOYSA-N 1 1 444.837 4.315 50 0 IIAAMO CC(C)c1nc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c2ccccn21 ZINC000225424594 557721985 /nfs/dbraw/zinc/72/19/85/557721985.db2.gz ZUVAAPCODDKMAT-KBMIEXCESA-N 1 1 428.540 4.456 50 0 IIAAMO COc1ccc(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(OC)c1 ZINC000014991621 557836896 /nfs/dbraw/zinc/83/68/96/557836896.db2.gz CJOCVDOUGZQDJF-LJQANCHMSA-N 1 1 442.629 4.061 50 0 IIAAMO OCC[C@H]1CN(Cc2cnc(-c3cccc4ccccc43)nc2)CC[N@H+]1C1CCCCC1 ZINC000019790229 563022950 /nfs/dbraw/zinc/02/29/50/563022950.db2.gz LDTYNCRAEFZYDJ-DEOSSOPVSA-N 1 1 430.596 4.498 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984492 568622890 /nfs/dbraw/zinc/62/28/90/568622890.db2.gz VDEXVGMLLYYPSC-FCHUYYIVSA-N 1 1 434.939 4.260 50 0 IIAAMO CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000299757650 568755409 /nfs/dbraw/zinc/75/54/09/568755409.db2.gz IFBVZDVGCNIVOP-YADHBBJMSA-N 1 1 425.529 4.208 50 0 IIAAMO CC[NH+]1CCN(C(=O)CCn2c3cc(Cl)c(Cl)cc3nc2Cc2ccccc2)CC1 ZINC000085405839 568817686 /nfs/dbraw/zinc/81/76/86/568817686.db2.gz YINONZPCCPPVPU-UHFFFAOYSA-N 1 1 445.394 4.488 50 0 IIAAMO CCc1nc2sc(C(=O)N3CCC[N@H+](Cc4ccc(OC)cc4)CC3)c(C)c2c(C)n1 ZINC000026360165 568877129 /nfs/dbraw/zinc/87/71/29/568877129.db2.gz ZSFJARVDILTCKN-UHFFFAOYSA-N 1 1 438.597 4.227 50 0 IIAAMO CCc1nc2sc(C(=O)N3CCC[N@@H+](Cc4ccc(OC)cc4)CC3)c(C)c2c(C)n1 ZINC000026360165 568877131 /nfs/dbraw/zinc/87/71/31/568877131.db2.gz ZSFJARVDILTCKN-UHFFFAOYSA-N 1 1 438.597 4.227 50 0 IIAAMO COc1ccccc1[C@@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)[NH+](C)C ZINC000013013872 568901661 /nfs/dbraw/zinc/90/16/61/568901661.db2.gz RELWHIRSKBTXEW-HXUWFJFHSA-N 1 1 427.545 4.004 50 0 IIAAMO CC(C)Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517392 568908574 /nfs/dbraw/zinc/90/85/74/568908574.db2.gz HNXNDNKUTMDFBQ-QHCPKHFHSA-N 1 1 434.565 4.434 50 0 IIAAMO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000241965576 568912598 /nfs/dbraw/zinc/91/25/98/568912598.db2.gz UTYSQDNUTFAYOB-KNQAVFIVSA-N 1 1 434.374 4.345 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2C)c1 ZINC000036098481 568951808 /nfs/dbraw/zinc/95/18/08/568951808.db2.gz CCXGFHGTUIZCBT-QFIPXVFZSA-N 1 1 435.520 4.174 50 0 IIAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3C)cc2)cc(C)[nH+]1 ZINC000064802079 568961672 /nfs/dbraw/zinc/96/16/72/568961672.db2.gz ZDEWLJDYBUFLDN-UHFFFAOYSA-N 1 1 441.557 4.387 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146316 568962026 /nfs/dbraw/zinc/96/20/26/568962026.db2.gz CXXQPONNTZEJHG-YADHBBJMSA-N 1 1 434.939 4.260 50 0 IIAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147197 568962483 /nfs/dbraw/zinc/96/24/83/568962483.db2.gz VFTFPNGXZFRIJO-ZCYQVOJMSA-N 1 1 434.511 4.261 50 0 IIAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147197 568962486 /nfs/dbraw/zinc/96/24/86/568962486.db2.gz VFTFPNGXZFRIJO-ZCYQVOJMSA-N 1 1 434.511 4.261 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CCCCC1 ZINC000036161372 568967313 /nfs/dbraw/zinc/96/73/13/568967313.db2.gz CTGVYPRVVMKBHQ-AEFFLSMTSA-N 1 1 447.645 4.030 50 0 IIAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246105 568981649 /nfs/dbraw/zinc/98/16/49/568981649.db2.gz SCZMDTWYRCHZMS-NRFANRHFSA-N 1 1 443.588 4.104 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC ZINC000036303950 568994352 /nfs/dbraw/zinc/99/43/52/568994352.db2.gz FERBTCJAUCCKRH-OAQYLSRUSA-N 1 1 439.556 4.201 50 0 IIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](CC(C)C)C[C@@H](C)O)c(C)c1 ZINC000036310108 568996283 /nfs/dbraw/zinc/99/62/83/568996283.db2.gz XSSXMLUOXYPENQ-IRLDBZIGSA-N 1 1 444.641 4.209 50 0 IIAAMO CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC(C)C ZINC000036309559 568996409 /nfs/dbraw/zinc/99/64/09/568996409.db2.gz KFBPRVOSTGVXRB-UGKGYDQZSA-N 1 1 448.604 4.121 50 0 IIAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036341680 569079390 /nfs/dbraw/zinc/07/93/90/569079390.db2.gz YJOPYYOKZPXYQV-XMMPIXPASA-N 1 1 435.568 4.484 50 0 IIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036342697 569079513 /nfs/dbraw/zinc/07/95/13/569079513.db2.gz ZNFLHBQVJBRFMI-VWLOTQADSA-N 1 1 447.579 4.128 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343519 569080455 /nfs/dbraw/zinc/08/04/55/569080455.db2.gz YNRCAUJSRYCVRG-ZCYQVOJMSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343519 569080456 /nfs/dbraw/zinc/08/04/56/569080456.db2.gz YNRCAUJSRYCVRG-ZCYQVOJMSA-N 1 1 447.579 4.256 50 0 IIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036346683 569081380 /nfs/dbraw/zinc/08/13/80/569081380.db2.gz MAHNQIUMVYUFOQ-MRXNPFEDSA-N 1 1 431.483 4.080 50 0 IIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036346683 569081381 /nfs/dbraw/zinc/08/13/81/569081381.db2.gz MAHNQIUMVYUFOQ-MRXNPFEDSA-N 1 1 431.483 4.080 50 0 IIAAMO O=C(C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1)NCc1ccccc1Cl ZINC000065184227 569114014 /nfs/dbraw/zinc/11/40/14/569114014.db2.gz KRHKGUPWACMGKA-UHFFFAOYSA-N 1 1 428.895 4.025 50 0 IIAAMO CN(C)c1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000065184248 569114085 /nfs/dbraw/zinc/11/40/85/569114085.db2.gz IPRXZTWDBQBFJN-UHFFFAOYSA-N 1 1 439.947 4.274 50 0 IIAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000037210460 569140918 /nfs/dbraw/zinc/14/09/18/569140918.db2.gz ULRBRDDTKXDNLD-AEFFLSMTSA-N 1 1 437.565 4.124 50 0 IIAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000037210460 569140920 /nfs/dbraw/zinc/14/09/20/569140920.db2.gz ULRBRDDTKXDNLD-AEFFLSMTSA-N 1 1 437.565 4.124 50 0 IIAAMO Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000009300503 569176811 /nfs/dbraw/zinc/17/68/11/569176811.db2.gz VUEFMTORIPAEDO-UHFFFAOYSA-N 1 1 438.616 4.019 50 0 IIAAMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000252489386 569186688 /nfs/dbraw/zinc/18/66/88/569186688.db2.gz JPUUZIVPOXBCIV-DHWLSRIRSA-N 1 1 448.654 4.365 50 0 IIAAMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000252489386 569186690 /nfs/dbraw/zinc/18/66/90/569186690.db2.gz JPUUZIVPOXBCIV-DHWLSRIRSA-N 1 1 448.654 4.365 50 0 IIAAMO O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000079045172 569323088 /nfs/dbraw/zinc/32/30/88/569323088.db2.gz QIUXMSCJUGRREC-GOSISDBHSA-N 1 1 438.622 4.119 50 0 IIAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000020355778 569361431 /nfs/dbraw/zinc/36/14/31/569361431.db2.gz SXROLFNGFITRGY-UHFFFAOYSA-N 1 1 447.604 4.245 50 0 IIAAMO C[C@@H]1C[C@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000095408994 569365053 /nfs/dbraw/zinc/36/50/53/569365053.db2.gz YJOAPKMPADYJON-IFMALSPDSA-N 1 1 431.536 4.422 50 0 IIAAMO Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)c12 ZINC000020437151 569365607 /nfs/dbraw/zinc/36/56/07/569365607.db2.gz YMIJVKKYLQQEPO-UHFFFAOYSA-N 1 1 447.627 4.389 50 0 IIAAMO O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095477654 569373372 /nfs/dbraw/zinc/37/33/72/569373372.db2.gz UJYFRCKIVGVVAJ-QFIPXVFZSA-N 1 1 436.987 4.097 50 0 IIAAMO Cc1ccc(-n2c(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nnc2C(C)C)cc1 ZINC000096289381 569390680 /nfs/dbraw/zinc/39/06/80/569390680.db2.gz VXLIVHUMMMEQOG-UHFFFAOYSA-N 1 1 449.624 4.379 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000096924936 569402450 /nfs/dbraw/zinc/40/24/50/569402450.db2.gz HMTASVQDFLQKID-OXJNMPFZSA-N 1 1 435.549 4.207 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000096924936 569402452 /nfs/dbraw/zinc/40/24/52/569402452.db2.gz HMTASVQDFLQKID-OXJNMPFZSA-N 1 1 435.549 4.207 50 0 IIAAMO CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@@](C)(O)c2ccco2)cc1)C[C@H]1CCCCO1 ZINC000230205521 569440063 /nfs/dbraw/zinc/44/00/63/569440063.db2.gz FLAHRBOCEODRJK-ZJSXRUAMSA-N 1 1 429.561 4.088 50 0 IIAAMO CCC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245327978 569503837 /nfs/dbraw/zinc/50/38/37/569503837.db2.gz MHHOBLVUYIZPRQ-RBBKRZOGSA-N 1 1 444.641 4.353 50 0 IIAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1cccc(OC)c1 ZINC000245328310 569503876 /nfs/dbraw/zinc/50/38/76/569503876.db2.gz MWXVFKPXFQXFIP-OFNKIYASSA-N 1 1 430.614 4.103 50 0 IIAAMO COc1c(C)cc([C@H]2CCc3nc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cn3C2)cc1C ZINC000245330132 569504021 /nfs/dbraw/zinc/50/40/21/569504021.db2.gz XKKFNCNJUALHDT-RTWAWAEBSA-N 1 1 438.616 4.233 50 0 IIAAMO CC(C)CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](C)O ZINC000245330651 569504043 /nfs/dbraw/zinc/50/40/43/569504043.db2.gz ZZBAMBKDMQAPGE-PGRDOPGGSA-N 1 1 448.604 4.121 50 0 IIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000009151127 569507441 /nfs/dbraw/zinc/50/74/41/569507441.db2.gz UHNKCFOKLPIOLQ-UHFFFAOYSA-N 1 1 438.553 4.010 50 0 IIAAMO Cc1nc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)nn1-c1ccccc1C(C)C ZINC000070038411 569529338 /nfs/dbraw/zinc/52/93/38/569529338.db2.gz FJBWZULWWFJLSB-UHFFFAOYSA-N 1 1 445.611 4.480 50 0 IIAAMO CCOC(=O)C1CC[NH+]([C@@H](c2c3c(sc2NC(C)=O)CCCC3)c2cccnc2)CC1 ZINC000054105804 193928987 /nfs/dbraw/zinc/92/89/87/193928987.db2.gz WTPQRRJWDXJHDV-JOCHJYFZSA-N 1 1 441.597 4.345 50 0 IIAAMO CC1(C)CC([NH+]2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)CC(C)(C)C1 ZINC000012308077 520281999 /nfs/dbraw/zinc/28/19/99/520281999.db2.gz HXGBWXYVQKUCMP-UHFFFAOYSA-N 1 1 440.676 4.479 50 0 IIAAMO CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000012757147 520458027 /nfs/dbraw/zinc/45/80/27/520458027.db2.gz BDKZTZNCZILFNN-HSZRJFAPSA-N 1 1 428.617 4.302 50 0 IIAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991473 520511188 /nfs/dbraw/zinc/51/11/88/520511188.db2.gz WZRSISLCNCCKND-LJQANCHMSA-N 1 1 439.478 4.095 50 0 IIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1cccnc1SC ZINC000012474154 521220537 /nfs/dbraw/zinc/22/05/37/521220537.db2.gz QHAMFSPQEMQJPC-HXUWFJFHSA-N 1 1 427.614 4.229 50 0 IIAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccccc3OC)c[nH]c21 ZINC000035908367 521793346 /nfs/dbraw/zinc/79/33/46/521793346.db2.gz WDRVVXIUTRQZST-QHCPKHFHSA-N 1 1 449.595 4.099 50 0 IIAAMO COc1cc(-c2nc(C[N@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc2c1OCO2 ZINC000015079419 521902913 /nfs/dbraw/zinc/90/29/13/521902913.db2.gz LUOQHRKMZJXORZ-CQSZACIVSA-N 1 1 438.480 4.352 50 0 IIAAMO COc1cc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc2c1OCO2 ZINC000015079419 521902922 /nfs/dbraw/zinc/90/29/22/521902922.db2.gz LUOQHRKMZJXORZ-CQSZACIVSA-N 1 1 438.480 4.352 50 0 IIAAMO COc1cc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000012418508 522081613 /nfs/dbraw/zinc/08/16/13/522081613.db2.gz SXCWJLZDOKAREX-UHFFFAOYSA-N 1 1 444.531 4.240 50 0 IIAAMO COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012596724 522460929 /nfs/dbraw/zinc/46/09/29/522460929.db2.gz LBFMBKMHPDPJII-NRFANRHFSA-N 1 1 445.604 4.101 50 0 IIAAMO CCn1cc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)c2ccc(F)cc2)c2ccccc21 ZINC000035872189 523461829 /nfs/dbraw/zinc/46/18/29/523461829.db2.gz IFOGRCRLPAAIFU-QHCPKHFHSA-N 1 1 437.559 4.161 50 0 IIAAMO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022784982 523719752 /nfs/dbraw/zinc/71/97/52/523719752.db2.gz VYXYANQBSOESGI-CPJSRVTESA-N 1 1 449.620 4.434 50 0 IIAAMO C[NH+]1CCC(N2CCC(Oc3cccc(C(=O)NC4CCCCCCC4)c3)CC2)CC1 ZINC000012386469 523768173 /nfs/dbraw/zinc/76/81/73/523768173.db2.gz PSDSFSRKEVZIOV-UHFFFAOYSA-N 1 1 427.633 4.467 50 0 IIAAMO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)c(OC)c1OC ZINC000021639544 524039945 /nfs/dbraw/zinc/03/99/45/524039945.db2.gz MYNSOAIHMGFMIW-UHFFFAOYSA-N 1 1 442.466 4.083 50 0 IIAAMO COc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)c(OC)c1OC ZINC000021639544 524039947 /nfs/dbraw/zinc/03/99/47/524039947.db2.gz MYNSOAIHMGFMIW-UHFFFAOYSA-N 1 1 442.466 4.083 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915376 524111655 /nfs/dbraw/zinc/11/16/55/524111655.db2.gz POGIVVYSBVDGDZ-GOSISDBHSA-N 1 1 434.584 4.128 50 0 IIAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022804552 524273925 /nfs/dbraw/zinc/27/39/25/524273925.db2.gz KNLRZBZTIGEIJV-QFIPXVFZSA-N 1 1 429.564 4.377 50 0 IIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000022324895 525213625 /nfs/dbraw/zinc/21/36/25/525213625.db2.gz YKIZACHROLRTSM-HUUCEWRRSA-N 1 1 434.993 4.033 50 0 IIAAMO Cc1cccn2c(C[N@@H+](C)CC[C@H]3CCCCO3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012301786 525464055 /nfs/dbraw/zinc/46/40/55/525464055.db2.gz HXCKZJUIVQHBCB-HSZRJFAPSA-N 1 1 448.611 4.348 50 0 IIAAMO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012638644 525842408 /nfs/dbraw/zinc/84/24/08/525842408.db2.gz TUDDEUCIRHTXDW-HNNXBMFYSA-N 1 1 441.519 4.371 50 0 IIAAMO Cc1ccsc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012638644 525842417 /nfs/dbraw/zinc/84/24/17/525842417.db2.gz TUDDEUCIRHTXDW-HNNXBMFYSA-N 1 1 441.519 4.371 50 0 IIAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012690778 526304352 /nfs/dbraw/zinc/30/43/52/526304352.db2.gz KVLAZRGXBBSHBZ-GOSISDBHSA-N 1 1 433.961 4.063 50 0 IIAAMO O=C(NCc1ccccc1F)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870690 526750896 /nfs/dbraw/zinc/75/08/96/526750896.db2.gz RMMDZNHRORDELP-ZEQKJWHPSA-N 1 1 447.529 4.144 50 0 IIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020915904 526752266 /nfs/dbraw/zinc/75/22/66/526752266.db2.gz CNYICNUXUQXVIC-SFHVURJKSA-N 1 1 431.458 4.330 50 0 IIAAMO Cn1ccnc1[C@H]1CCCCN1C(=O)CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012246620 527467969 /nfs/dbraw/zinc/46/79/69/527467969.db2.gz YODDBIWSIATSSP-NOZRDPDXSA-N 1 1 444.579 4.500 50 0 IIAAMO OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1CCCc1ccccc1 ZINC000020781164 527571692 /nfs/dbraw/zinc/57/16/92/527571692.db2.gz HKDWOQIEBCPHIO-DEOSSOPVSA-N 1 1 426.988 4.117 50 0 IIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000020610136 527672376 /nfs/dbraw/zinc/67/23/76/527672376.db2.gz IOYFCNABZRZYLP-UHFFFAOYSA-N 1 1 448.954 4.489 50 0 biogenic IIAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000034683919 555819479 /nfs/dbraw/zinc/81/94/79/555819479.db2.gz RNKGQZVOSIIMBX-UHFFFAOYSA-N 1 1 443.519 4.220 50 0 IIAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)CC1 ZINC000004784693 556011444 /nfs/dbraw/zinc/01/14/44/556011444.db2.gz UVISZRYMJQIEJP-UHFFFAOYSA-N 1 1 425.598 4.227 50 0 IIAAMO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011665821 556346171 /nfs/dbraw/zinc/34/61/71/556346171.db2.gz RNVSNIUHMQLFNB-MHZLTWQESA-N 1 1 435.612 4.324 50 0 IIAAMO COc1ccccc1-c1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)[nH]n1 ZINC000011819275 556360989 /nfs/dbraw/zinc/36/09/89/556360989.db2.gz GCZVFIPZEJTYAZ-OAQYLSRUSA-N 1 1 432.568 4.255 50 0 IIAAMO COc1ccccc1-c1cc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000011819275 556360992 /nfs/dbraw/zinc/36/09/92/556360992.db2.gz GCZVFIPZEJTYAZ-OAQYLSRUSA-N 1 1 432.568 4.255 50 0 IIAAMO COc1ccccc1-c1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000011819275 556360995 /nfs/dbraw/zinc/36/09/95/556360995.db2.gz GCZVFIPZEJTYAZ-OAQYLSRUSA-N 1 1 432.568 4.255 50 0 IIAAMO CCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000011869832 556368550 /nfs/dbraw/zinc/36/85/50/556368550.db2.gz LYXZHQZLVYVMHV-IBGZPJMESA-N 1 1 449.517 4.152 50 0 IIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000011905234 556373936 /nfs/dbraw/zinc/37/39/36/556373936.db2.gz HGXLJDUJHKWEBP-KRWDZBQOSA-N 1 1 430.302 4.264 50 0 IIAAMO CCCC[N@@H+](C)[C@H]1CCc2c(sc3ncn(CCc4cccc(OC)c4)c(=O)c32)C1 ZINC000011909382 556374637 /nfs/dbraw/zinc/37/46/37/556374637.db2.gz RHGGYSAGVZFSHB-SFHVURJKSA-N 1 1 425.598 4.299 50 0 IIAAMO COc1ccc(CCN(Cc2sc(N(C)C)nc2Cl)CC2CC[NH+](C)CC2)cc1 ZINC000012003206 556385890 /nfs/dbraw/zinc/38/58/90/556385890.db2.gz NSDYRABXDDJJQZ-UHFFFAOYSA-N 1 1 437.053 4.258 50 0 IIAAMO CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014751020 556443687 /nfs/dbraw/zinc/44/36/87/556443687.db2.gz GETMWWQWYFLVEE-YADHBBJMSA-N 1 1 433.527 4.144 50 0 IIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccccc2)CCO3)C1 ZINC000014958912 556463555 /nfs/dbraw/zinc/46/35/55/556463555.db2.gz RBICZGAHVDWGTG-DEOSSOPVSA-N 1 1 435.612 4.162 50 0 IIAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)N1CCN(c2ccccn2)CC1 ZINC000014962544 556464600 /nfs/dbraw/zinc/46/46/00/556464600.db2.gz KWJKRVMUMICEAC-LJQANCHMSA-N 1 1 444.982 4.215 50 0 IIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)N1CCN(c2ccccn2)CC1 ZINC000014962544 556464605 /nfs/dbraw/zinc/46/46/05/556464605.db2.gz KWJKRVMUMICEAC-LJQANCHMSA-N 1 1 444.982 4.215 50 0 IIAAMO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H]2CCCCC[N@@H+]2C)C3)s1 ZINC000015001983 556480044 /nfs/dbraw/zinc/48/00/44/556480044.db2.gz SIYDXNJPITUCCD-PKOBYXMFSA-N 1 1 430.545 4.051 50 0 IIAAMO COCc1cc(C)nc2sc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@@H]43)c(N)c21 ZINC000015107425 556504236 /nfs/dbraw/zinc/50/42/36/556504236.db2.gz APVAMQAVSFCOAD-MJGOQNOKSA-N 1 1 436.581 4.090 50 0 IIAAMO C[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305178 556550237 /nfs/dbraw/zinc/55/02/37/556550237.db2.gz YDMYYTCXQLLBAC-QHCPKHFHSA-N 1 1 438.572 4.089 50 0 IIAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nc3c(C)c(Cl)ccc23)CC1 ZINC000017101776 556666304 /nfs/dbraw/zinc/66/63/04/556666304.db2.gz GHQLJEZKJZDSJK-UHFFFAOYSA-N 1 1 437.927 4.370 50 0 IIAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4cccc(OC)c4)cc3OC)C2)CC1 ZINC000011968930 556677574 /nfs/dbraw/zinc/67/75/74/556677574.db2.gz MSAXMPQLYDYDFX-UHFFFAOYSA-N 1 1 440.540 4.186 50 0 IIAAMO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000072313593 556693905 /nfs/dbraw/zinc/69/39/05/556693905.db2.gz NXYNKVNHFOSILY-RTWAWAEBSA-N 1 1 434.584 4.439 50 0 IIAAMO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000072313593 556693907 /nfs/dbraw/zinc/69/39/07/556693907.db2.gz NXYNKVNHFOSILY-RTWAWAEBSA-N 1 1 434.584 4.439 50 0 IIAAMO COCc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000019218766 556713467 /nfs/dbraw/zinc/71/34/67/556713467.db2.gz UCFKTSINIWTKBD-FQEVSTJZSA-N 1 1 437.506 4.231 50 0 IIAAMO COCc1ccc(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000019218766 556713470 /nfs/dbraw/zinc/71/34/70/556713470.db2.gz UCFKTSINIWTKBD-FQEVSTJZSA-N 1 1 437.506 4.231 50 0 IIAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)c1OC ZINC000036103770 556720510 /nfs/dbraw/zinc/72/05/10/556720510.db2.gz DIULGXIURFDXRP-OAQYLSRUSA-N 1 1 429.488 4.016 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)c1OC ZINC000036103770 556720514 /nfs/dbraw/zinc/72/05/14/556720514.db2.gz DIULGXIURFDXRP-OAQYLSRUSA-N 1 1 429.488 4.016 50 0 IIAAMO C[NH+]1CCN(CC(=O)N2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@H]2CCC4)CC1 ZINC000019316052 556735929 /nfs/dbraw/zinc/73/59/29/556735929.db2.gz HUSWUBDMYRAXRD-RUZDIDTESA-N 1 1 434.628 4.156 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168596 556736995 /nfs/dbraw/zinc/73/69/95/556736995.db2.gz ZTOVWRXTPPDPFH-OAQYLSRUSA-N 1 1 442.600 4.108 50 0 IIAAMO C[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc3c(c2)OCO3)Cc2cc(=O)n3ccsc3n2)[C@@H]1C ZINC000058175801 556769388 /nfs/dbraw/zinc/76/93/88/556769388.db2.gz ZOWQVRUMGDZNHN-GPMSIDNRSA-N 1 1 425.554 4.312 50 0 IIAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)[nH+]1 ZINC000067604861 556843898 /nfs/dbraw/zinc/84/38/98/556843898.db2.gz YXMUZDRBTAIHCW-UHFFFAOYSA-N 1 1 428.968 4.091 50 0 IIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)nc(C)[nH+]2)cc1 ZINC000067629744 556845053 /nfs/dbraw/zinc/84/50/53/556845053.db2.gz YGKQAYCXNOSVOD-UHFFFAOYSA-N 1 1 438.482 4.469 50 0 IIAAMO CCC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2nc(-c3ccc(C)cc3)cc2[nH]1 ZINC000033126347 556867070 /nfs/dbraw/zinc/86/70/70/556867070.db2.gz ZQOYLJYSQWLFHQ-UHFFFAOYSA-N 1 1 446.551 4.427 50 0 IIAAMO Cn1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c(-c2ccccc2)n1 ZINC000019744125 556889729 /nfs/dbraw/zinc/88/97/29/556889729.db2.gz CIXRBKMMWCOMSF-HSZRJFAPSA-N 1 1 433.575 4.013 50 0 IIAAMO Brc1ccc(CN2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019788487 556914243 /nfs/dbraw/zinc/91/42/43/556914243.db2.gz QAMMYNZISXKLTP-UHFFFAOYSA-N 1 1 428.418 4.231 50 0 IIAAMO CCCOc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000019792343 556915737 /nfs/dbraw/zinc/91/57/37/556915737.db2.gz MFBWICGWWLUTHP-UHFFFAOYSA-N 1 1 433.552 4.143 50 0 IIAAMO COc1cccc(Cn2c(=O)c(C[N@@H+](C)C[C@@H](O)c3ccccc3)cc3ccc(F)cc32)c1 ZINC000019798702 556916769 /nfs/dbraw/zinc/91/67/69/556916769.db2.gz VACKITAKGWWKLE-AREMUKBSSA-N 1 1 446.522 4.363 50 0 IIAAMO CC1CCN([C@H](C[NH+]2CCC(C)CC2)CS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000019899401 556941678 /nfs/dbraw/zinc/94/16/78/556941678.db2.gz UQGLPKMBJIDDJG-XMMPIXPASA-N 1 1 428.642 4.446 50 0 IIAAMO COc1cc(Br)cc(C)c1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000072040083 557022810 /nfs/dbraw/zinc/02/28/10/557022810.db2.gz LZAKSXROEJLTGB-UHFFFAOYSA-N 1 1 432.362 4.158 50 0 IIAAMO O=C1CCCN1C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(C(F)(F)F)c1 ZINC000048236015 557047175 /nfs/dbraw/zinc/04/71/75/557047175.db2.gz QROXSTSTLJUMCA-IBGZPJMESA-N 1 1 434.458 4.320 50 0 IIAAMO CC(=O)N(c1nc(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cs1)c1ccccc1 ZINC000022931466 557050101 /nfs/dbraw/zinc/05/01/01/557050101.db2.gz WIQPYOCJHSKZJL-UHFFFAOYSA-N 1 1 448.592 4.080 50 0 IIAAMO Cc1cccn2c(=O)cc(C[N@H+](C)[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)nc12 ZINC000022969714 557054985 /nfs/dbraw/zinc/05/49/85/557054985.db2.gz ILIWKDIWZNFNPE-LJQANCHMSA-N 1 1 426.520 4.448 50 0 IIAAMO CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)C[N@H+](Cc1ccccc1)CC2 ZINC000033277326 557059169 /nfs/dbraw/zinc/05/91/69/557059169.db2.gz CBWQWSNFVVOPLM-UHFFFAOYSA-N 1 1 444.579 4.126 50 0 IIAAMO CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)C[N@@H+](Cc1ccccc1)CC2 ZINC000033277326 557059174 /nfs/dbraw/zinc/05/91/74/557059174.db2.gz CBWQWSNFVVOPLM-UHFFFAOYSA-N 1 1 444.579 4.126 50 0 IIAAMO OCC[C@@H]1CN(Cc2cnc(-c3cccc4ccccc43)nc2)CC[N@H+]1Cc1ccccc1 ZINC000023358709 557087333 /nfs/dbraw/zinc/08/73/33/557087333.db2.gz IBAIJXUUIMOQMS-RUZDIDTESA-N 1 1 438.575 4.366 50 0 IIAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc2)[nH+]c(C)n1 ZINC000033326880 557108587 /nfs/dbraw/zinc/10/85/87/557108587.db2.gz QXZDZTFDSAPLMV-UHFFFAOYSA-N 1 1 441.557 4.184 50 0 IIAAMO Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)cc1 ZINC000023882915 557123469 /nfs/dbraw/zinc/12/34/69/557123469.db2.gz BSASNSHPHOUDSK-AREMUKBSSA-N 1 1 429.564 4.297 50 0 IIAAMO Cc1ccc(NC(=O)[C@H](NCc2ccccc2C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000023882915 557123473 /nfs/dbraw/zinc/12/34/73/557123473.db2.gz BSASNSHPHOUDSK-AREMUKBSSA-N 1 1 429.564 4.297 50 0 IIAAMO Cc1nc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)nn1-c1ccc(Cl)cc1 ZINC000023957343 557128067 /nfs/dbraw/zinc/12/80/67/557128067.db2.gz CSSULYUMBWTJQX-UHFFFAOYSA-N 1 1 445.954 4.340 50 0 IIAAMO Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000006895696 557139604 /nfs/dbraw/zinc/13/96/04/557139604.db2.gz GHCZJYSPIBXNMP-PMERELPUSA-N 1 1 428.598 4.127 50 0 IIAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+]Cc5cccnc5)C4=O)cc3)sc2c1 ZINC000018195541 557247642 /nfs/dbraw/zinc/24/76/42/557247642.db2.gz NSDILQXXIVDHCU-HXUWFJFHSA-N 1 1 428.517 4.088 50 0 IIAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100637731 557267042 /nfs/dbraw/zinc/26/70/42/557267042.db2.gz YUXGEAYYXPGKHO-SFHVURJKSA-N 1 1 425.941 4.461 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3c(C)csc3n2)cc1OC ZINC000033268836 557328643 /nfs/dbraw/zinc/32/86/43/557328643.db2.gz HKBDBWDQGAKTAL-UHFFFAOYSA-N 1 1 435.549 4.284 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3c(C)csc3n2)cc1OC ZINC000033268836 557328646 /nfs/dbraw/zinc/32/86/46/557328646.db2.gz HKBDBWDQGAKTAL-UHFFFAOYSA-N 1 1 435.549 4.284 50 0 IIAAMO Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3)n2)o1 ZINC000023335139 557349969 /nfs/dbraw/zinc/34/99/69/557349969.db2.gz CTWQHAPSWBMJAS-QGZVFWFLSA-N 1 1 448.571 4.102 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000023968336 557389386 /nfs/dbraw/zinc/38/93/86/557389386.db2.gz DKIOAAVYRIOWGL-UHFFFAOYSA-N 1 1 425.536 4.265 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050986 557474730 /nfs/dbraw/zinc/47/47/30/557474730.db2.gz PEYPYEUNCXYNSV-XUZZJYLKSA-N 1 1 430.564 4.382 50 0 IIAAMO CC(=O)N[C@H](CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccs1 ZINC000229757501 557833043 /nfs/dbraw/zinc/83/30/43/557833043.db2.gz HXEBVYNIIOWXIV-KGVIQGDOSA-N 1 1 427.614 4.110 50 0 IIAAMO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[N@H+]4CCc5ccccc5C4)sc3c2c1 ZINC000008690980 562963296 /nfs/dbraw/zinc/96/32/96/562963296.db2.gz LKWBUAPDRQILMJ-UHFFFAOYSA-N 1 1 432.545 4.494 50 0 aggregator IIAAMO CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1cccs1 ZINC000009465345 562971645 /nfs/dbraw/zinc/97/16/45/562971645.db2.gz XFFKNCXOGHDQDV-UHFFFAOYSA-N 1 1 443.594 4.034 50 0 IIAAMO CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1cccs1 ZINC000009465345 562971646 /nfs/dbraw/zinc/97/16/46/562971646.db2.gz XFFKNCXOGHDQDV-UHFFFAOYSA-N 1 1 443.594 4.034 50 0 IIAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000023374165 568613819 /nfs/dbraw/zinc/61/38/19/568613819.db2.gz LDBZFFJBIMVVAT-NRFANRHFSA-N 1 1 447.501 4.221 50 0 IIAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000023374165 568613822 /nfs/dbraw/zinc/61/38/22/568613822.db2.gz LDBZFFJBIMVVAT-NRFANRHFSA-N 1 1 447.501 4.221 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000025143125 568639798 /nfs/dbraw/zinc/63/97/98/568639798.db2.gz ZXDLJIVAHILJQZ-GJZGRUSLSA-N 1 1 434.533 4.169 50 0 IIAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000015669151 568801752 /nfs/dbraw/zinc/80/17/52/568801752.db2.gz OUKLUMZLSAKFBX-UHFFFAOYSA-N 1 1 433.512 4.026 50 0 IIAAMO COc1cc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)cc(OC)c1OC ZINC000015679533 568806039 /nfs/dbraw/zinc/80/60/39/568806039.db2.gz VZSZVMPTNUQLEZ-UHFFFAOYSA-N 1 1 439.556 4.015 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681632 568806698 /nfs/dbraw/zinc/80/66/98/568806698.db2.gz IANLPCGBXPDZOE-NRFANRHFSA-N 1 1 437.563 4.495 50 0 IIAAMO Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)on1 ZINC000015731253 568814692 /nfs/dbraw/zinc/81/46/92/568814692.db2.gz RDNLWIHXZANOQJ-UHFFFAOYSA-N 1 1 431.602 4.412 50 0 IIAAMO Cc1cc(NC(=O)CSc2nc(C[NH+](C)C)nc3ccccc32)ccc1Br ZINC000012979664 568891974 /nfs/dbraw/zinc/89/19/74/568891974.db2.gz DVQCBBWFGTYZRH-UHFFFAOYSA-N 1 1 445.386 4.493 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000064459967 568929360 /nfs/dbraw/zinc/92/93/60/568929360.db2.gz ANJHZBVVSAYWPQ-FQEVSTJZSA-N 1 1 425.964 4.434 50 0 IIAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]31)CC2 ZINC000006623693 568941958 /nfs/dbraw/zinc/94/19/58/568941958.db2.gz APKCVAIEWYWHDF-FXVKBQLMSA-N 1 1 425.569 4.376 50 0 biogenic IIAAMO COc1cccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146490 568962736 /nfs/dbraw/zinc/96/27/36/568962736.db2.gz FJISBFYCMXUTRT-RSXGOPAZSA-N 1 1 430.548 4.294 50 0 IIAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000169677688 568989646 /nfs/dbraw/zinc/98/96/46/568989646.db2.gz VKGQATDSZHLVSF-RPWUZVMVSA-N 1 1 448.538 4.399 50 0 IIAAMO O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677370 568989675 /nfs/dbraw/zinc/98/96/75/568989675.db2.gz VWOUUVXVJDQPNA-GGAORHGYSA-N 1 1 443.513 4.095 50 0 IIAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169680311 568990841 /nfs/dbraw/zinc/99/08/41/568990841.db2.gz VFTFPNGXZFRIJO-NOZRDPDXSA-N 1 1 434.511 4.261 50 0 IIAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169680311 568990842 /nfs/dbraw/zinc/99/08/42/568990842.db2.gz VFTFPNGXZFRIJO-NOZRDPDXSA-N 1 1 434.511 4.261 50 0 IIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](C)O ZINC000036304034 568994265 /nfs/dbraw/zinc/99/42/65/568994265.db2.gz ZGCFJUZAALEBDM-MRXNPFEDSA-N 1 1 431.483 4.080 50 0 IIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](C)O ZINC000036304034 568994270 /nfs/dbraw/zinc/99/42/70/568994270.db2.gz ZGCFJUZAALEBDM-MRXNPFEDSA-N 1 1 431.483 4.080 50 0 IIAAMO CC1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000036310832 568996816 /nfs/dbraw/zinc/99/68/16/568996816.db2.gz BIDKTLMNYPYWOD-JOCHJYFZSA-N 1 1 447.023 4.307 50 0 IIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341325 569079330 /nfs/dbraw/zinc/07/93/30/569079330.db2.gz UVQYVOZIUQOAKR-QFIPXVFZSA-N 1 1 425.504 4.007 50 0 IIAAMO COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000036344497 569080288 /nfs/dbraw/zinc/08/02/88/569080288.db2.gz DBABPDXHSIYCAA-HSZRJFAPSA-N 1 1 439.531 4.253 50 0 IIAAMO Cc1ccc(C)c(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000065153612 569112117 /nfs/dbraw/zinc/11/21/17/569112117.db2.gz VJWNEUARTNOILP-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO CC(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000036548242 569117417 /nfs/dbraw/zinc/11/74/17/569117417.db2.gz WEPZKJIBAVSIRI-IZZNHLLZSA-N 1 1 441.575 4.191 50 0 IIAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000065322231 569136540 /nfs/dbraw/zinc/13/65/40/569136540.db2.gz UOPJCDXHMCJENN-UHFFFAOYSA-N 1 1 436.556 4.458 50 0 IIAAMO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000089830413 569165598 /nfs/dbraw/zinc/16/55/98/569165598.db2.gz ZKRYKVSJYZUXLB-HSZRJFAPSA-N 1 1 445.588 4.045 50 0 IIAAMO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000089830413 569165599 /nfs/dbraw/zinc/16/55/99/569165599.db2.gz ZKRYKVSJYZUXLB-HSZRJFAPSA-N 1 1 445.588 4.045 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523703 569198703 /nfs/dbraw/zinc/19/87/03/569198703.db2.gz GTPXADIQRVKYFE-JTHBVZDNSA-N 1 1 430.539 4.311 50 0 IIAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000002361932 569287641 /nfs/dbraw/zinc/28/76/41/569287641.db2.gz KHQPAVWHVJXDAW-INIZCTEOSA-N 1 1 427.917 4.178 50 0 IIAAMO C[C@H]([NH2+]CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)c1ccccc1Cl ZINC000012994335 569306050 /nfs/dbraw/zinc/30/60/50/569306050.db2.gz WDOWGKNKMFVNQO-INIZCTEOSA-N 1 1 425.916 4.177 50 0 IIAAMO C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)c1ccccc1Cl ZINC000012994333 569306102 /nfs/dbraw/zinc/30/61/02/569306102.db2.gz WDOWGKNKMFVNQO-MRXNPFEDSA-N 1 1 425.916 4.177 50 0 IIAAMO Cc1c(COc2ccccc2)cccc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000095446551 569367355 /nfs/dbraw/zinc/36/73/55/569367355.db2.gz IKIFPDSRXLWSEI-UHFFFAOYSA-N 1 1 425.573 4.396 50 0 IIAAMO CCC(=O)Nc1ccc2c(cc(C(=O)N3CC[NH+](CC)CC3)n2Cc2cccc(C)c2)c1 ZINC000096275875 569388368 /nfs/dbraw/zinc/38/83/68/569388368.db2.gz YAIGKAKAEOBLID-UHFFFAOYSA-N 1 1 432.568 4.124 50 0 IIAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000096300320 569392085 /nfs/dbraw/zinc/39/20/85/569392085.db2.gz OAFCMBTWSKINQK-IXCJQBJRSA-N 1 1 436.559 4.343 50 0 biogenic IIAAMO O=C(NCCc1cccs1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096457215 569400693 /nfs/dbraw/zinc/40/06/93/569400693.db2.gz UEDKFWSYNSLDHS-ILBGXUMGSA-N 1 1 449.595 4.109 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 ZINC000670417842 569409916 /nfs/dbraw/zinc/40/99/16/569409916.db2.gz SGACHQKCZOYJAM-IZTPNPOGSA-N 1 1 441.660 4.311 50 0 IIAAMO C=C1C(NC2CC[NH+](Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000015672051 569442824 /nfs/dbraw/zinc/44/28/24/569442824.db2.gz AAFSQQZHKXYVIO-UHFFFAOYSA-N 1 1 429.973 4.067 50 0 IIAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1O ZINC000008722397 569471843 /nfs/dbraw/zinc/47/18/43/569471843.db2.gz ONNRBZCDOPGBJI-QFIPXVFZSA-N 1 1 435.549 4.265 50 0 IIAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1O ZINC000008722397 569471844 /nfs/dbraw/zinc/47/18/44/569471844.db2.gz ONNRBZCDOPGBJI-QFIPXVFZSA-N 1 1 435.549 4.265 50 0 IIAAMO CNC(=O)c1ccc(C[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C2CC2)cc1 ZINC000040059680 569484728 /nfs/dbraw/zinc/48/47/28/569484728.db2.gz RDZYDJVFWAEOEP-JOCHJYFZSA-N 1 1 427.548 4.180 50 0 IIAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccs1 ZINC000009033526 569497153 /nfs/dbraw/zinc/49/71/53/569497153.db2.gz RVESFUQJOGLCIX-WOSRLPQWSA-N 1 1 425.809 4.455 50 0 biogenic IIAAMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)C2CCCCCC2)c1 ZINC000009315328 569522042 /nfs/dbraw/zinc/52/20/42/569522042.db2.gz ZYBMEACMXABQDD-UHFFFAOYSA-N 1 1 429.586 4.105 50 0 IIAAMO COc1cc(C[N@H+](C)Cc2cc(=O)n3cc(C)ccc3n2)ccc1OCc1ccccc1 ZINC000009512217 569542907 /nfs/dbraw/zinc/54/29/07/569542907.db2.gz RFUKWNWBXGRREG-UHFFFAOYSA-N 1 1 429.520 4.223 50 0 IIAAMO COc1cc(C[N@@H+](C)Cc2cc(=O)n3cc(C)ccc3n2)ccc1OCc1ccccc1 ZINC000009512217 569542908 /nfs/dbraw/zinc/54/29/08/569542908.db2.gz RFUKWNWBXGRREG-UHFFFAOYSA-N 1 1 429.520 4.223 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009714249 569562797 /nfs/dbraw/zinc/56/27/97/569562797.db2.gz MWVKQXIEFKXZEW-QFIPXVFZSA-N 1 1 433.577 4.496 50 0 IIAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009714249 569562798 /nfs/dbraw/zinc/56/27/98/569562798.db2.gz MWVKQXIEFKXZEW-QFIPXVFZSA-N 1 1 433.577 4.496 50 0 IIAAMO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)ccc2c1 ZINC000009952929 569574622 /nfs/dbraw/zinc/57/46/22/569574622.db2.gz RLBZMEYBGOCEQO-XMMPIXPASA-N 1 1 446.547 4.415 50 0 IIAAMO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)ccc2c1 ZINC000009952929 569574623 /nfs/dbraw/zinc/57/46/23/569574623.db2.gz RLBZMEYBGOCEQO-XMMPIXPASA-N 1 1 446.547 4.415 50 0 IIAAMO CC[NH+]1CCN(c2ncnc3c2sc2nc(C(C)C)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002412436 132253951 /nfs/dbraw/zinc/25/39/51/132253951.db2.gz BZOQVGYEUWQNOJ-UHFFFAOYSA-N 1 1 425.602 4.356 50 0 IIAAMO Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000009405099 132314800 /nfs/dbraw/zinc/31/48/00/132314800.db2.gz CMFVZVVWFCFLDT-UHFFFAOYSA-N 1 1 438.522 4.210 50 0 IIAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020992823 519438682 /nfs/dbraw/zinc/43/86/82/519438682.db2.gz LEAFFYREVKZLJM-XMMPIXPASA-N 1 1 449.599 4.255 50 0 IIAAMO CC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021796700 519594579 /nfs/dbraw/zinc/59/45/79/519594579.db2.gz NIRXQAFWPVZPAS-UHFFFAOYSA-N 1 1 431.927 4.409 50 0 IIAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)C1 ZINC000012459456 519670762 /nfs/dbraw/zinc/67/07/62/519670762.db2.gz UXCJMPUKUUYIJP-IBGZPJMESA-N 1 1 438.522 4.474 50 0 IIAAMO CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021795614 521097853 /nfs/dbraw/zinc/09/78/53/521097853.db2.gz CIWJDPFUGGSYLL-UHFFFAOYSA-N 1 1 448.527 4.408 50 0 IIAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1cccc(Oc3ccccc3)c1)CC2)C(C)C ZINC000012184005 521177041 /nfs/dbraw/zinc/17/70/41/521177041.db2.gz CEIUOCYOFCNLKQ-RUZDIDTESA-N 1 1 447.583 4.352 50 0 IIAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000012712112 521354241 /nfs/dbraw/zinc/35/42/41/521354241.db2.gz XMAXCEWCYWLICK-VWLOTQADSA-N 1 1 443.540 4.024 50 0 IIAAMO CCC(CC)[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+]1CCOCC1 ZINC000022898679 521604269 /nfs/dbraw/zinc/60/42/69/521604269.db2.gz BCYZDLYCKSKMRO-RUZDIDTESA-N 1 1 432.568 4.164 50 0 IIAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431802 521655176 /nfs/dbraw/zinc/65/51/76/521655176.db2.gz KQZAPXGPTTVCQX-FQEVSTJZSA-N 1 1 444.645 4.304 50 0 IIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431802 521655178 /nfs/dbraw/zinc/65/51/78/521655178.db2.gz KQZAPXGPTTVCQX-FQEVSTJZSA-N 1 1 444.645 4.304 50 0 IIAAMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC([C@H](O)c4cccs4)CC3)c(C)o2)cc1 ZINC000012200740 521928822 /nfs/dbraw/zinc/92/88/22/521928822.db2.gz PXPBZZJVUHTTSD-NRFANRHFSA-N 1 1 426.538 4.444 50 0 IIAAMO C[NH+](C)[C@@H](CN/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21)c1ccco1 ZINC000020664565 522008316 /nfs/dbraw/zinc/00/83/16/522008316.db2.gz DFCAPKCYNMNVDJ-UKQGIEBLSA-N 1 1 435.911 4.353 50 0 IIAAMO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000012761167 522069663 /nfs/dbraw/zinc/06/96/63/522069663.db2.gz KMEOSBMNCULXJR-OAQYLSRUSA-N 1 1 448.394 4.265 50 0 IIAAMO COc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000012730559 522120105 /nfs/dbraw/zinc/12/01/05/522120105.db2.gz OFIVQDJISWKTRJ-OAQYLSRUSA-N 1 1 446.975 4.014 50 0 IIAAMO COc1cc(CN(C)Cc2csc(C)n2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012596103 522355849 /nfs/dbraw/zinc/35/58/49/522355849.db2.gz KNJIHIYMPCGTRK-JOCHJYFZSA-N 1 1 447.645 4.096 50 0 IIAAMO C[N@H+](CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012889323 522681093 /nfs/dbraw/zinc/68/10/93/522681093.db2.gz RWNCMCIQDZWTOB-UHFFFAOYSA-N 1 1 431.817 4.397 50 0 IIAAMO C[N@@H+](CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012889323 522681106 /nfs/dbraw/zinc/68/11/06/522681106.db2.gz RWNCMCIQDZWTOB-UHFFFAOYSA-N 1 1 431.817 4.397 50 0 IIAAMO COc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3cc(C(C)C)ccc3n2)cc1 ZINC000020683097 523096211 /nfs/dbraw/zinc/09/62/11/523096211.db2.gz SSLUAWVLLORKRY-UHFFFAOYSA-N 1 1 447.579 4.486 50 0 IIAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3OC)[NH+]3CCCCC3)no2)cc1 ZINC000011905381 523097523 /nfs/dbraw/zinc/09/75/23/523097523.db2.gz DVRLYPZRIVRYDB-QFIPXVFZSA-N 1 1 435.524 4.316 50 0 IIAAMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326044 523220823 /nfs/dbraw/zinc/22/08/23/523220823.db2.gz KPIQYQXKBIHFIB-KRWDZBQOSA-N 1 1 434.367 4.303 50 0 IIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000020814455 523266297 /nfs/dbraw/zinc/26/62/97/523266297.db2.gz HBKQEOJYIWQSCZ-IBGZPJMESA-N 1 1 440.613 4.424 50 0 IIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000020814455 523266301 /nfs/dbraw/zinc/26/63/01/523266301.db2.gz HBKQEOJYIWQSCZ-IBGZPJMESA-N 1 1 440.613 4.424 50 0 IIAAMO CCc1c(C(=O)N2CC=C(c3ccccc3)CC2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000012455664 523684046 /nfs/dbraw/zinc/68/40/46/523684046.db2.gz DXABLIDNFTXERN-HSZRJFAPSA-N 1 1 433.596 4.133 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)cc1OC ZINC000020539732 523941116 /nfs/dbraw/zinc/94/11/16/523941116.db2.gz JYJCTDYTVQJMOJ-XMMPIXPASA-N 1 1 434.584 4.028 50 0 IIAAMO COc1ccc(CCN(C)[C@@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)cc1OC ZINC000020539732 523941121 /nfs/dbraw/zinc/94/11/21/523941121.db2.gz JYJCTDYTVQJMOJ-XMMPIXPASA-N 1 1 434.584 4.028 50 0 IIAAMO COc1ccc(CCN(C)[C@@H]2CCC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)cc1OC ZINC000020539732 523941126 /nfs/dbraw/zinc/94/11/26/523941126.db2.gz JYJCTDYTVQJMOJ-XMMPIXPASA-N 1 1 434.584 4.028 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(C)c(O)c(C)c3)C2)c(OC)c1 ZINC000012373312 524048109 /nfs/dbraw/zinc/04/81/09/524048109.db2.gz PULALPZCLBOWLB-FQEVSTJZSA-N 1 1 440.584 4.335 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c(OC)c1 ZINC000012386930 524048296 /nfs/dbraw/zinc/04/82/96/524048296.db2.gz OCBUWBINQMKCHR-KRWDZBQOSA-N 1 1 432.511 4.291 50 0 IIAAMO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000012784855 524284650 /nfs/dbraw/zinc/28/46/50/524284650.db2.gz PETHJCOLMIGIMJ-NRFANRHFSA-N 1 1 430.508 4.174 50 0 IIAAMO Cc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cccc(C)c4)[nH]c(=O)c3C2)cc1 ZINC000020467773 524477147 /nfs/dbraw/zinc/47/71/47/524477147.db2.gz YTGOSHKSXFCZRQ-UHFFFAOYSA-N 1 1 434.565 4.088 50 0 IIAAMO Cc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Oc5ncccn5)cc4)[N@H+]4CCC[C@@]34C2=O)o1 ZINC000012570523 524480172 /nfs/dbraw/zinc/48/01/72/524480172.db2.gz CIAQORYXKHBXFF-JTJYXVOQSA-N 1 1 430.508 4.108 50 0 IIAAMO Cc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000021795868 524748685 /nfs/dbraw/zinc/74/86/85/524748685.db2.gz UAEFESHQDJUZDL-UHFFFAOYSA-N 1 1 428.968 4.091 50 0 IIAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012759879 524885944 /nfs/dbraw/zinc/88/59/44/524885944.db2.gz YBBLFYMJWBEQQZ-KBPBESRZSA-N 1 1 438.391 4.401 50 0 IIAAMO COc1ccc(OC)c2nc(N3CCOCC3)c(C[NH2+]Cc3ccccc3Cl)cc12 ZINC000012148886 524924414 /nfs/dbraw/zinc/92/44/14/524924414.db2.gz KVWOENDOOPJJJY-UHFFFAOYSA-N 1 1 427.932 4.032 50 0 IIAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCC([C@@H](O)c3cccs3)CC2)Cc2cc(Cl)ccc2O1 ZINC000012195506 524937048 /nfs/dbraw/zinc/93/70/48/524937048.db2.gz JVKUDGHTPWGNNV-WAIKUNEKSA-N 1 1 449.016 4.347 50 0 IIAAMO C[C@@H](NC(=S)Nc1ccc(Br)cc1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031388 525385616 /nfs/dbraw/zinc/38/56/16/525385616.db2.gz BBNVNNBGIQAVNB-OXQOHEQNSA-N 1 1 447.446 4.113 50 0 IIAAMO C[C@@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000012532888 525412032 /nfs/dbraw/zinc/41/20/32/525412032.db2.gz DHHODUQJNDGTFN-OAQYLSRUSA-N 1 1 446.570 4.437 50 0 IIAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000012678948 525527924 /nfs/dbraw/zinc/52/79/24/525527924.db2.gz IVHPJMXMENJIGN-FQEVSTJZSA-N 1 1 447.626 4.007 50 0 IIAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000012678948 525527934 /nfs/dbraw/zinc/52/79/34/525527934.db2.gz IVHPJMXMENJIGN-FQEVSTJZSA-N 1 1 447.626 4.007 50 0 IIAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(-n5cccn5)cc4C)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012713094 525957075 /nfs/dbraw/zinc/95/70/75/525957075.db2.gz CFENXHSVTBQMJO-NOOLENRPSA-N 1 1 442.563 4.127 50 0 IIAAMO COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)c1 ZINC000035870687 526198198 /nfs/dbraw/zinc/19/81/98/526198198.db2.gz HKHRVFDJYYDLOV-AOYPEHQESA-N 1 1 445.538 4.336 50 0 IIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1)c1[nH]nc2ccccc21 ZINC000012443431 526513730 /nfs/dbraw/zinc/51/37/30/526513730.db2.gz YQDBZWUURZJLCN-KRWDZBQOSA-N 1 1 431.565 4.328 50 0 IIAAMO O=C(NCc1ccccc1F)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870689 526752605 /nfs/dbraw/zinc/75/26/05/526752605.db2.gz RMMDZNHRORDELP-JYFHCDHNSA-N 1 1 447.529 4.144 50 0 IIAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000021795187 526964552 /nfs/dbraw/zinc/96/45/52/526964552.db2.gz ZNHMEZDSQDEJHK-UHFFFAOYSA-N 1 1 448.493 4.148 50 0 IIAAMO Cn1nc(C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)c2c1-c1ccccc1OC2 ZINC000020484930 527543673 /nfs/dbraw/zinc/54/36/73/527543673.db2.gz JSLFOUNLZLCVSR-UHFFFAOYSA-N 1 1 434.540 4.137 50 0 IIAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000009531057 535779170 /nfs/dbraw/zinc/77/91/70/535779170.db2.gz RUODMCCKDABKKH-UHFFFAOYSA-N 1 1 427.508 4.366 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccoc2)CC3)c1 ZINC000011786817 556353831 /nfs/dbraw/zinc/35/38/31/556353831.db2.gz TXWFMULWQGCNJA-JOCHJYFZSA-N 1 1 435.572 4.063 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccoc2)CC3)c1 ZINC000011786817 556353835 /nfs/dbraw/zinc/35/38/35/556353835.db2.gz TXWFMULWQGCNJA-JOCHJYFZSA-N 1 1 435.572 4.063 50 0 IIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000011817756 556360076 /nfs/dbraw/zinc/36/00/76/556360076.db2.gz IGLWZWTXNSJLGA-HXUWFJFHSA-N 1 1 439.556 4.232 50 0 IIAAMO O=C(c1cc(-c2ccccc2F)n[nH]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000011818983 556360912 /nfs/dbraw/zinc/36/09/12/556360912.db2.gz CRFHLIYXOJMJPC-VWLOTQADSA-N 1 1 436.506 4.483 50 0 IIAAMO CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000011843395 556366728 /nfs/dbraw/zinc/36/67/28/556366728.db2.gz BQKOWUJRGQHUQO-OAQYLSRUSA-N 1 1 432.568 4.101 50 0 IIAAMO CN1CCC[C@@H](C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011843395 556366737 /nfs/dbraw/zinc/36/67/37/556366737.db2.gz BQKOWUJRGQHUQO-OAQYLSRUSA-N 1 1 432.568 4.101 50 0 IIAAMO CN1CCC[C@@H](C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011843395 556366738 /nfs/dbraw/zinc/36/67/38/556366738.db2.gz BQKOWUJRGQHUQO-OAQYLSRUSA-N 1 1 432.568 4.101 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)c(OC)c1 ZINC000011878388 556370956 /nfs/dbraw/zinc/37/09/56/556370956.db2.gz FBIXUFFHGSQSBH-GOSISDBHSA-N 1 1 444.597 4.277 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)c(OC)c1 ZINC000011878388 556370958 /nfs/dbraw/zinc/37/09/58/556370958.db2.gz FBIXUFFHGSQSBH-GOSISDBHSA-N 1 1 444.597 4.277 50 0 IIAAMO COc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1OCc1ccccc1 ZINC000014136525 556375111 /nfs/dbraw/zinc/37/51/11/556375111.db2.gz IXGGUXSODUXZKE-UHFFFAOYSA-N 1 1 438.568 4.039 50 0 IIAAMO COc1ccc(F)c(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1 ZINC000011952340 556380625 /nfs/dbraw/zinc/38/06/25/556380625.db2.gz XMALDVAMGCIHDC-UHFFFAOYSA-N 1 1 442.531 4.122 50 0 IIAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000012025736 556387811 /nfs/dbraw/zinc/38/78/11/556387811.db2.gz HPGIZFUCPYSYTM-MRXNPFEDSA-N 1 1 443.548 4.329 50 0 IIAAMO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccccc1)CCC2 ZINC000014242473 556403226 /nfs/dbraw/zinc/40/32/26/556403226.db2.gz ZMVNLLXBSIVCEM-FQEVSTJZSA-N 1 1 426.563 4.403 50 0 IIAAMO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014733001 556437443 /nfs/dbraw/zinc/43/74/43/556437443.db2.gz KKJLKEFTAYYKDA-BJKOFHAPSA-N 1 1 433.596 4.168 50 0 IIAAMO COc1cc(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)ccc1F ZINC000014976092 556468752 /nfs/dbraw/zinc/46/87/52/556468752.db2.gz GVROKSVHOWTVQR-LJQANCHMSA-N 1 1 430.593 4.192 50 0 IIAAMO COc1cc(NC(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1NC(C)=O ZINC000072289427 556485121 /nfs/dbraw/zinc/48/51/21/556485121.db2.gz OHZOLLASUONXCB-HSZRJFAPSA-N 1 1 438.572 4.248 50 0 IIAAMO COCCN(Cc1c(OC)cccc1OC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015062203 556490622 /nfs/dbraw/zinc/49/06/22/556490622.db2.gz OAFCFFLHRHHSPA-UHFFFAOYSA-N 1 1 430.564 4.204 50 0 IIAAMO CC[N@@H+](CCn1cccn1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015064918 556492116 /nfs/dbraw/zinc/49/21/16/556492116.db2.gz SCFLVDOYQPPRKJ-UHFFFAOYSA-N 1 1 429.524 4.046 50 0 IIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@@H]3CCC[N@H+]23)cc1 ZINC000013557103 556517258 /nfs/dbraw/zinc/51/72/58/556517258.db2.gz UZPHINACJLIIRP-MMTROXRISA-N 1 1 443.330 4.137 50 0 IIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@@H]3CCC[N@@H+]23)cc1 ZINC000013557103 556517262 /nfs/dbraw/zinc/51/72/62/556517262.db2.gz UZPHINACJLIIRP-MMTROXRISA-N 1 1 443.330 4.137 50 0 IIAAMO CCc1nnc2c(NCCC[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)nc3ccccc3n12 ZINC000016162624 556586674 /nfs/dbraw/zinc/58/66/74/556586674.db2.gz TYMWHFTVRWQVGA-FQEVSTJZSA-N 1 1 443.599 4.161 50 0 IIAAMO O=C(C[C@@H]1OC(=O)c2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032975589 556600127 /nfs/dbraw/zinc/60/01/27/556600127.db2.gz UAXFVBAFDVDKDG-DEOSSOPVSA-N 1 1 426.516 4.222 50 0 IIAAMO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339401 556601098 /nfs/dbraw/zinc/60/10/98/556601098.db2.gz KAIXMRUPEHZDHM-LJQANCHMSA-N 1 1 445.357 4.016 50 0 IIAAMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339401 556601101 /nfs/dbraw/zinc/60/11/01/556601101.db2.gz KAIXMRUPEHZDHM-LJQANCHMSA-N 1 1 445.357 4.016 50 0 IIAAMO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000033787157 556635149 /nfs/dbraw/zinc/63/51/49/556635149.db2.gz XXAKPPYKBYUAGJ-BJESRGMDSA-N 1 1 428.532 4.434 50 0 IIAAMO CCCO[C@@H]1CCC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055271194 556739385 /nfs/dbraw/zinc/73/93/85/556739385.db2.gz ZZIPWDVOBHCPBR-HSZRJFAPSA-N 1 1 448.611 4.348 50 0 IIAAMO CCCO[C@@H]1CCC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055271194 556739388 /nfs/dbraw/zinc/73/93/88/556739388.db2.gz ZZIPWDVOBHCPBR-HSZRJFAPSA-N 1 1 448.611 4.348 50 0 IIAAMO NC(=O)c1c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)sc2c1CCCC2 ZINC000058173841 556768865 /nfs/dbraw/zinc/76/88/65/556768865.db2.gz OOLQSZDGJNLICA-HXUWFJFHSA-N 1 1 425.579 4.105 50 0 IIAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](CN2CCCCCC2=O)c2ccccc2)c1 ZINC000058202287 556771426 /nfs/dbraw/zinc/77/14/26/556771426.db2.gz SNJADQIHAWTEOB-XMMPIXPASA-N 1 1 436.600 4.081 50 0 IIAAMO CCNc1cc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)[nH+]c(C)n1 ZINC000067603547 556843759 /nfs/dbraw/zinc/84/37/59/556843759.db2.gz NVPSNOHZFCVZDL-UHFFFAOYSA-N 1 1 442.873 4.243 50 0 IIAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000067614124 556844278 /nfs/dbraw/zinc/84/42/78/556844278.db2.gz YICLVNLFYZIPQG-UHFFFAOYSA-N 1 1 441.579 4.405 50 0 IIAAMO C[NH+]1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000033086088 556857007 /nfs/dbraw/zinc/85/70/07/556857007.db2.gz UVAYRAGXIRZHCG-UHFFFAOYSA-N 1 1 449.864 4.306 50 0 IIAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@H]2c1ccc(Cl)cc1 ZINC000020028275 556967660 /nfs/dbraw/zinc/96/76/60/556967660.db2.gz ASCCJPFSHZWRLX-OAQYLSRUSA-N 1 1 434.931 4.062 50 0 IIAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000048261720 557049511 /nfs/dbraw/zinc/04/95/11/557049511.db2.gz CRAYEUBMDCDOHD-VXKWHMMOSA-N 1 1 426.561 4.247 50 0 IIAAMO Cc1noc(CSc2ccccc2C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)n1 ZINC000048331841 557069535 /nfs/dbraw/zinc/06/95/35/557069535.db2.gz UQUMCJCAMLUQMD-UHFFFAOYSA-N 1 1 437.500 4.234 50 0 IIAAMO Cc1csc(-c2cc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)c(C)s2)n1 ZINC000033290015 557071929 /nfs/dbraw/zinc/07/19/29/557071929.db2.gz SLZRYMQFSMWXCF-UHFFFAOYSA-N 1 1 447.651 4.215 50 0 IIAAMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)CC1 ZINC000023478093 557093893 /nfs/dbraw/zinc/09/38/93/557093893.db2.gz GEMFAWUXUVGGTE-DIJPZKQKSA-N 1 1 428.580 4.057 50 0 in-vitro IIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)N1CCN(c2ccccn2)CC1 ZINC000023478581 557094000 /nfs/dbraw/zinc/09/40/00/557094000.db2.gz ZHNUZHYAWMWNFD-NRFANRHFSA-N 1 1 432.568 4.169 50 0 IIAAMO CCOc1ccc(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1 ZINC000033318306 557099774 /nfs/dbraw/zinc/09/97/74/557099774.db2.gz IWLJXUMOXMDSEQ-UHFFFAOYSA-N 1 1 431.540 4.198 50 0 IIAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1ccc2cccc(OC)c21 ZINC000583647597 557241177 /nfs/dbraw/zinc/24/11/77/557241177.db2.gz QOHABHYRBNGTAM-DHIUTWEWSA-N 1 1 441.616 4.170 50 0 biogenic IIAAMO C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000026889118 557250182 /nfs/dbraw/zinc/25/01/82/557250182.db2.gz KXWZPNNFTOJFLE-GOSISDBHSA-N 1 1 448.592 4.051 50 0 IIAAMO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000026889122 557250187 /nfs/dbraw/zinc/25/01/87/557250187.db2.gz KXWZPNNFTOJFLE-SFHVURJKSA-N 1 1 448.592 4.051 50 0 IIAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100644359 557267597 /nfs/dbraw/zinc/26/75/97/557267597.db2.gz KLMLSJGHXCBOAO-GOSISDBHSA-N 1 1 425.941 4.461 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1ccc2c1ccnc2SCc1ccc(F)cc1 ZINC000033298589 557330761 /nfs/dbraw/zinc/33/07/61/557330761.db2.gz PTQQEZGBJTZVQF-SFHVURJKSA-N 1 1 440.588 4.458 50 0 IIAAMO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000105044931 557474246 /nfs/dbraw/zinc/47/42/46/557474246.db2.gz CDVZHNAGNRTIEH-DNQXCXABSA-N 1 1 428.532 4.337 50 0 IIAAMO COCc1cc(C)nc2sc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@H+](C)CC[C@H]43)c(N)c21 ZINC000105105730 557476076 /nfs/dbraw/zinc/47/60/76/557476076.db2.gz APVAMQAVSFCOAD-PKOBYXMFSA-N 1 1 436.581 4.090 50 0 IIAAMO C[N@@H+](CCCNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000045861793 557546001 /nfs/dbraw/zinc/54/60/01/557546001.db2.gz SEIALAUEUGMJGT-RUZDIDTESA-N 1 1 429.564 4.186 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc1OC ZINC000045974065 557556091 /nfs/dbraw/zinc/55/60/91/557556091.db2.gz GNRLYIOZOMENCJ-UHFFFAOYSA-N 1 1 429.520 4.223 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc1OC ZINC000045974065 557556093 /nfs/dbraw/zinc/55/60/93/557556093.db2.gz GNRLYIOZOMENCJ-UHFFFAOYSA-N 1 1 429.520 4.223 50 0 IIAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014071077 557836939 /nfs/dbraw/zinc/83/69/39/557836939.db2.gz HWAHFMOOZCAWFA-DLBZAZTESA-N 1 1 434.565 4.240 50 0 IIAAMO Cc1ccc(/C=C2/C(=O)N3c4ccccc4[C@@]45CC[N@@H+]6CC7=CCO[C@@H]2[C@H]([C@@H]34)[C@H]7C[C@H]65)cc1 ZINC000245226050 557849537 /nfs/dbraw/zinc/84/95/37/557849537.db2.gz GFIRKZRNWVSINQ-RLTPGFAISA-N 1 1 436.555 4.094 50 0 IIAAMO O=C(c1ccc(C[S@](=O)c2cccc(Cl)c2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000009115403 562967094 /nfs/dbraw/zinc/96/70/94/562967094.db2.gz HOKDJVDGJROGTJ-GDLZYMKVSA-N 1 1 434.989 4.331 50 0 IIAAMO O=C(c1ccc(C[S@](=O)c2ccccc2Cl)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000009115510 562967174 /nfs/dbraw/zinc/96/71/74/562967174.db2.gz ZLKDSMFIRQUVST-GDLZYMKVSA-N 1 1 434.989 4.331 50 0 IIAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009671706 562975151 /nfs/dbraw/zinc/97/51/51/562975151.db2.gz GNMKMTONYMLWAC-IBGZPJMESA-N 1 1 447.626 4.007 50 0 IIAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009671706 562975152 /nfs/dbraw/zinc/97/51/52/562975152.db2.gz GNMKMTONYMLWAC-IBGZPJMESA-N 1 1 447.626 4.007 50 0 IIAAMO COc1cc(CNc2nc(C)c(-c3ccn(C[C@H]4CCC[N@@H+](C)C4)n3)s2)ccc1F ZINC000012028251 562980398 /nfs/dbraw/zinc/98/03/98/562980398.db2.gz SBWPJAYWZKIYJX-KRWDZBQOSA-N 1 1 429.565 4.417 50 0 IIAAMO Cc1cccc(-n2cc(C[NH+]3CCN(Cc4nccn4C)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000022932996 563026275 /nfs/dbraw/zinc/02/62/75/563026275.db2.gz BKWIAAHRGPGSJH-UHFFFAOYSA-N 1 1 444.558 4.038 50 0 IIAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000058085783 563143430 /nfs/dbraw/zinc/14/34/30/563143430.db2.gz QQHOVWIRORFMSP-FGZHOGPDSA-N 1 1 448.032 4.060 50 0 IIAAMO CC(C)[N@H+]1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000257355169 568731350 /nfs/dbraw/zinc/73/13/50/568731350.db2.gz OEYYOVRNPJSWTO-IBGZPJMESA-N 1 1 434.584 4.211 50 0 IIAAMO C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)CN(C(=O)[C@@H]1CC13CCCC3)CCO2 ZINC000299779995 568756993 /nfs/dbraw/zinc/75/69/93/568756993.db2.gz LQCHAJRJNHLCBE-QFIPXVFZSA-N 1 1 434.584 4.220 50 0 IIAAMO C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)CN(C(=O)[C@@H]1CC13CCCC3)CCO2 ZINC000299779995 568756994 /nfs/dbraw/zinc/75/69/94/568756994.db2.gz LQCHAJRJNHLCBE-QFIPXVFZSA-N 1 1 434.584 4.220 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676915 568804324 /nfs/dbraw/zinc/80/43/24/568804324.db2.gz IRPNTOWSVUFMNQ-FQEVSTJZSA-N 1 1 433.600 4.085 50 0 IIAAMO NC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000001447708 568817612 /nfs/dbraw/zinc/81/76/12/568817612.db2.gz ILSMWGOYLGYUAM-UHFFFAOYSA-N 1 1 431.927 4.443 50 0 IIAAMO COc1cccc(NC(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)c1 ZINC000015825039 568840557 /nfs/dbraw/zinc/84/05/57/568840557.db2.gz KXXKGWYSBILZDU-UHFFFAOYSA-N 1 1 432.528 4.200 50 0 IIAAMO CCc1ccc(Cl)c(CC)c1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012936940 568865988 /nfs/dbraw/zinc/86/59/88/568865988.db2.gz ODNVKHOBFVAONC-UHFFFAOYSA-N 1 1 443.975 4.460 50 0 IIAAMO COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC ZINC000016044492 568868711 /nfs/dbraw/zinc/86/87/11/568868711.db2.gz ZXDXTZCGQKIDNV-RTBURBONSA-N 1 1 442.581 4.071 50 0 IIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000245328557 568915060 /nfs/dbraw/zinc/91/50/60/568915060.db2.gz UZPHINACJLIIRP-QEEHTWDDSA-N 1 1 443.330 4.137 50 0 IIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000245328557 568915061 /nfs/dbraw/zinc/91/50/61/568915061.db2.gz UZPHINACJLIIRP-QEEHTWDDSA-N 1 1 443.330 4.137 50 0 IIAAMO COCCNC(=O)c1coc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2cccc(C)c2)n1 ZINC000036064011 568944752 /nfs/dbraw/zinc/94/47/52/568944752.db2.gz DBPUOGWEXUUPCK-UHFFFAOYSA-N 1 1 446.551 4.085 50 0 IIAAMO COCCNC(=O)c1coc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2cccc(C)c2)n1 ZINC000036064011 568944754 /nfs/dbraw/zinc/94/47/54/568944754.db2.gz DBPUOGWEXUUPCK-UHFFFAOYSA-N 1 1 446.551 4.085 50 0 IIAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)CC1CC1 ZINC000036246101 568981704 /nfs/dbraw/zinc/98/17/04/568981704.db2.gz YTQUCTZODGXUKQ-JOCHJYFZSA-N 1 1 429.605 4.433 50 0 IIAAMO COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)c1 ZINC000169677782 568989668 /nfs/dbraw/zinc/98/96/68/568989668.db2.gz HKHRVFDJYYDLOV-RSXGOPAZSA-N 1 1 445.538 4.336 50 0 IIAAMO CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677372 568989712 /nfs/dbraw/zinc/98/97/12/568989712.db2.gz LPXDQHXXBPITLN-GGAORHGYSA-N 1 1 445.529 4.341 50 0 IIAAMO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2cccc(F)c2)C[C@@H](O)COC(C)(C)C)C1 ZINC000169680314 568990793 /nfs/dbraw/zinc/99/07/93/568990793.db2.gz MHHSXSQYTKQNJZ-YADHBBJMSA-N 1 1 428.548 4.305 50 0 IIAAMO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2ccccc2)C[C@@H](O)COCc2ccco2)C1 ZINC000169679380 568991127 /nfs/dbraw/zinc/99/11/27/568991127.db2.gz MRQYSCHCGOUHCA-VWNXMTODSA-N 1 1 434.536 4.161 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306014 568995311 /nfs/dbraw/zinc/99/53/11/568995311.db2.gz CJLQARGRRACPPH-HXUWFJFHSA-N 1 1 439.556 4.107 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036308878 568995682 /nfs/dbraw/zinc/99/56/82/568995682.db2.gz YKDCUEZJYOAUCL-OFNKIYASSA-N 1 1 444.641 4.469 50 0 IIAAMO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342500 569079481 /nfs/dbraw/zinc/07/94/81/569079481.db2.gz SIPVJJIWAWXIQX-VWLOTQADSA-N 1 1 447.579 4.128 50 0 IIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3C)C2)c(C)c1 ZINC000036342828 569079497 /nfs/dbraw/zinc/07/94/97/569079497.db2.gz FUNUZCULJDXLKZ-VWLOTQADSA-N 1 1 447.579 4.128 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC ZINC000036346392 569081031 /nfs/dbraw/zinc/08/10/31/569081031.db2.gz JEJJZUYJSCSXKN-NRFANRHFSA-N 1 1 427.520 4.331 50 0 IIAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346568 569081427 /nfs/dbraw/zinc/08/14/27/569081427.db2.gz ZDEQUFJQJSTOGC-HXUWFJFHSA-N 1 1 445.510 4.471 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346568 569081428 /nfs/dbraw/zinc/08/14/28/569081428.db2.gz ZDEQUFJQJSTOGC-HXUWFJFHSA-N 1 1 445.510 4.471 50 0 IIAAMO CC1CCN(c2nnc(-n3cccc3CNCCC[N@@H+](C)C3CCCCC3)s2)CC1 ZINC000007002030 569117529 /nfs/dbraw/zinc/11/75/29/569117529.db2.gz KKBBJQJSQHVYFP-UHFFFAOYSA-N 1 1 430.666 4.309 50 0 IIAAMO C[NH+]1CCN([C@@H](c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c2ccccc2)CC1 ZINC000170615956 569146749 /nfs/dbraw/zinc/14/67/49/569146749.db2.gz FCYXATCPXJCUSV-HSZRJFAPSA-N 1 1 445.498 4.400 50 0 IIAAMO COc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662140 569160926 /nfs/dbraw/zinc/16/09/26/569160926.db2.gz IMVYGSMOAAUUMT-VQTJNVASSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662140 569160927 /nfs/dbraw/zinc/16/09/27/569160927.db2.gz IMVYGSMOAAUUMT-VQTJNVASSA-N 1 1 442.560 4.499 50 0 IIAAMO O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089793775 569164066 /nfs/dbraw/zinc/16/40/66/569164066.db2.gz PVJAQEZGQOQIKP-SFHVURJKSA-N 1 1 449.970 4.039 50 0 IIAAMO CCOc1ccc(-c2nnc(SCCC[NH+]3CCOCC3)n2-c2ccccc2F)cc1 ZINC000253425463 569267238 /nfs/dbraw/zinc/26/72/38/569267238.db2.gz CTAMVCOZZRSSHD-UHFFFAOYSA-N 1 1 442.560 4.287 50 0 IIAAMO O=C(Nc1ccc2c(c1)OCCO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013396857 569315313 /nfs/dbraw/zinc/31/53/13/569315313.db2.gz NRFQWKKDMYKRJU-UHFFFAOYSA-N 1 1 429.520 4.397 50 0 IIAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+]Cc5cccnc5)C4=O)cc3)sc2c1 ZINC000095483050 569374464 /nfs/dbraw/zinc/37/44/64/569374464.db2.gz NSDILQXXIVDHCU-FQEVSTJZSA-N 1 1 428.517 4.088 50 0 IIAAMO COc1ccc(Br)cc1CCC(=O)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685599 569406945 /nfs/dbraw/zinc/40/69/45/569406945.db2.gz NLWLIKKZPJCWHA-NRFANRHFSA-N 1 1 443.385 4.050 50 0 IIAAMO Cc1c(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000504253708 569443871 /nfs/dbraw/zinc/44/38/71/569443871.db2.gz DQZGUVLFYWXYJF-OXQOHEQNSA-N 1 1 436.478 4.074 50 0 IIAAMO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4cccs4)no3)C2)cc1Cl ZINC000031056528 569452959 /nfs/dbraw/zinc/45/29/59/569452959.db2.gz BIHJLLOTOIZJSA-ZDUSSCGKSA-N 1 1 432.933 4.311 50 0 IIAAMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4cccs4)no3)C2)cc1Cl ZINC000031056528 569452960 /nfs/dbraw/zinc/45/29/60/569452960.db2.gz BIHJLLOTOIZJSA-ZDUSSCGKSA-N 1 1 432.933 4.311 50 0 IIAAMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000031557946 569456736 /nfs/dbraw/zinc/45/67/36/569456736.db2.gz FJFLABPSRWKVLM-DEOSSOPVSA-N 1 1 426.520 4.413 50 0 IIAAMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000031557946 569456737 /nfs/dbraw/zinc/45/67/37/569456737.db2.gz FJFLABPSRWKVLM-DEOSSOPVSA-N 1 1 426.520 4.413 50 0 IIAAMO Cc1cccc(NC(=O)CNC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)c1C ZINC000008166038 569462451 /nfs/dbraw/zinc/46/24/51/569462451.db2.gz FJQIMMVQCNIPHL-UHFFFAOYSA-N 1 1 425.548 4.332 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000008328730 569462636 /nfs/dbraw/zinc/46/26/36/569462636.db2.gz VGXPOLAMWNILIP-LJQANCHMSA-N 1 1 427.614 4.246 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)C1 ZINC000008661213 569469808 /nfs/dbraw/zinc/46/98/08/569469808.db2.gz MMXTVPSXLXVUFL-AAUAJYIVSA-N 1 1 439.625 4.143 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008755964 569474038 /nfs/dbraw/zinc/47/40/38/569474038.db2.gz MVHAYKPCDRMHGO-QGZVFWFLSA-N 1 1 434.565 4.241 50 0 IIAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008755964 569474039 /nfs/dbraw/zinc/47/40/39/569474039.db2.gz MVHAYKPCDRMHGO-QGZVFWFLSA-N 1 1 434.565 4.241 50 0 IIAAMO Cc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)cc2)cc1 ZINC000008771717 569475264 /nfs/dbraw/zinc/47/52/64/569475264.db2.gz UWELTPVAOMQDDO-OAQYLSRUSA-N 1 1 433.533 4.118 50 0 IIAAMO Cc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)cc2)cc1 ZINC000008771717 569475265 /nfs/dbraw/zinc/47/52/65/569475265.db2.gz UWELTPVAOMQDDO-OAQYLSRUSA-N 1 1 433.533 4.118 50 0 IIAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000008811254 569476576 /nfs/dbraw/zinc/47/65/76/569476576.db2.gz FVGJNHJULDYXNX-TYBLODHISA-N 1 1 433.596 4.461 50 0 IIAAMO Cc1ccc2nc(COc3ccc(C(=O)N4CC[N@@H+](C)C[C@H]4c4ccccc4)cc3)cn2c1 ZINC000040050303 569484179 /nfs/dbraw/zinc/48/41/79/569484179.db2.gz XTUKADUFJCRSEZ-VWLOTQADSA-N 1 1 440.547 4.351 50 0 IIAAMO Cc1ccc2nc(COc3ccc(C(=O)N4CC[N@H+](C)C[C@H]4c4ccccc4)cc3)cn2c1 ZINC000040050303 569484180 /nfs/dbraw/zinc/48/41/80/569484180.db2.gz XTUKADUFJCRSEZ-VWLOTQADSA-N 1 1 440.547 4.351 50 0 IIAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000040089939 569487371 /nfs/dbraw/zinc/48/73/71/569487371.db2.gz KCFNPYLGMXWEQZ-NRFANRHFSA-N 1 1 426.605 4.317 50 0 IIAAMO CC(=O)Nc1ccc(SCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000040107115 569488427 /nfs/dbraw/zinc/48/84/27/569488427.db2.gz BAXBCPFPFJKNCB-GOSISDBHSA-N 1 1 425.598 4.285 50 0 IIAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000040146904 569492314 /nfs/dbraw/zinc/49/23/14/569492314.db2.gz WUTQVQAYZPSBJV-QKKBWIMNSA-N 1 1 445.922 4.234 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000040146904 569492315 /nfs/dbraw/zinc/49/23/15/569492315.db2.gz WUTQVQAYZPSBJV-QKKBWIMNSA-N 1 1 445.922 4.234 50 0 IIAAMO O=S(=O)([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000040155830 569493999 /nfs/dbraw/zinc/49/39/99/569493999.db2.gz MUWKNPVLTNOKJW-FQEVSTJZSA-N 1 1 441.622 4.080 50 0 IIAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3cccn3C)cc2)cc1 ZINC000009076653 569500362 /nfs/dbraw/zinc/50/03/62/569500362.db2.gz YQBSROYPHJZFRU-XMMPIXPASA-N 1 1 446.551 4.452 50 0 IIAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3cccn3C)cc2)cc1 ZINC000009076653 569500363 /nfs/dbraw/zinc/50/03/63/569500363.db2.gz YQBSROYPHJZFRU-XMMPIXPASA-N 1 1 446.551 4.452 50 0 IIAAMO COc1ccc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1F ZINC000009788847 569568018 /nfs/dbraw/zinc/56/80/18/569568018.db2.gz JEYPDQYPYXKVLO-UHFFFAOYSA-N 1 1 429.499 4.162 50 0 IIAAMO CC[C@@H](c1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)o1)[NH+](C)C ZINC000009980908 569576517 /nfs/dbraw/zinc/57/65/17/569576517.db2.gz GFDHSLFZSPAXKR-INIZCTEOSA-N 1 1 442.589 4.296 50 0 IIAAMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(I)cc2)c1 ZINC000010225962 569579319 /nfs/dbraw/zinc/57/93/19/569579319.db2.gz JNGYSSGITCIMTM-SFHVURJKSA-N 1 1 436.293 4.075 50 0 IIAAMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(I)cc2)c1 ZINC000010225962 569579320 /nfs/dbraw/zinc/57/93/20/569579320.db2.gz JNGYSSGITCIMTM-SFHVURJKSA-N 1 1 436.293 4.075 50 0 IIAAMO Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000013164507 132346163 /nfs/dbraw/zinc/34/61/63/132346163.db2.gz OWMTUIIIHIHFPN-UHFFFAOYSA-N 1 1 430.943 4.305 50 0 IIAAMO C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013878793 132355221 /nfs/dbraw/zinc/35/52/21/132355221.db2.gz WULBATBMMKEPSA-HOYKHHGWSA-N 1 1 449.576 4.159 50 0 IIAAMO CC(C)c1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2ccccc2)cc1 ZINC000035485612 519837556 /nfs/dbraw/zinc/83/75/56/519837556.db2.gz INPVNVHALJUEBS-LOSJGSFVSA-N 1 1 427.548 4.321 50 0 IIAAMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)CC1 ZINC000021796566 521123819 /nfs/dbraw/zinc/12/38/19/521123819.db2.gz UDTNIJJHMZARBM-UHFFFAOYSA-N 1 1 441.535 4.155 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1 ZINC000020934125 521638100 /nfs/dbraw/zinc/63/81/00/521638100.db2.gz BTTIZUZPXPYDJA-JOCHJYFZSA-N 1 1 425.536 4.302 50 0 IIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1 ZINC000020934130 521657146 /nfs/dbraw/zinc/65/71/46/521657146.db2.gz BTTIZUZPXPYDJA-QFIPXVFZSA-N 1 1 425.536 4.302 50 0 IIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)sc2C1 ZINC000021296944 521725083 /nfs/dbraw/zinc/72/50/83/521725083.db2.gz COEPAHWPIRYQRS-UHFFFAOYSA-N 1 1 436.566 4.083 50 0 IIAAMO CC[N@H+]1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)sc2C1 ZINC000021296944 521725084 /nfs/dbraw/zinc/72/50/84/521725084.db2.gz COEPAHWPIRYQRS-UHFFFAOYSA-N 1 1 436.566 4.083 50 0 IIAAMO CC[C@@H](NC(=O)NC(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000036048489 522721522 /nfs/dbraw/zinc/72/15/22/522721522.db2.gz LBBNJWNVAZKHAZ-ZJSXRUAMSA-N 1 1 443.563 4.429 50 0 IIAAMO CC[C@@H](NC(=O)NC(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000036048489 522721524 /nfs/dbraw/zinc/72/15/24/522721524.db2.gz LBBNJWNVAZKHAZ-ZJSXRUAMSA-N 1 1 443.563 4.429 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](C)N(CC[N@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1C)CC2 ZINC000035993562 523038445 /nfs/dbraw/zinc/03/84/45/523038445.db2.gz OIOVENDQAWCFQH-HDICACEKSA-N 1 1 440.584 4.259 50 0 biogenic IIAAMO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCN1CCc3cc(OC)c(OC)cc3[C@@H]1C)CC2 ZINC000035993562 523038452 /nfs/dbraw/zinc/03/84/52/523038452.db2.gz OIOVENDQAWCFQH-HDICACEKSA-N 1 1 440.584 4.259 50 0 biogenic IIAAMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCN1CCc3cc(OC)c(OC)cc3[C@@H]1C)CC2 ZINC000035993562 523038462 /nfs/dbraw/zinc/03/84/62/523038462.db2.gz OIOVENDQAWCFQH-HDICACEKSA-N 1 1 440.584 4.259 50 0 biogenic IIAAMO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1cccc(Cl)c1 ZINC000035843566 523237071 /nfs/dbraw/zinc/23/70/71/523237071.db2.gz QFHCNQKDDMRLDX-QHCPKHFHSA-N 1 1 449.016 4.461 50 0 IIAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1cccc(Cl)c1 ZINC000035843566 523237084 /nfs/dbraw/zinc/23/70/84/523237084.db2.gz QFHCNQKDDMRLDX-QHCPKHFHSA-N 1 1 449.016 4.461 50 0 IIAAMO CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000012802635 523951468 /nfs/dbraw/zinc/95/14/68/523951468.db2.gz ZRQDVRCUENCTHQ-UHFFFAOYSA-N 1 1 433.577 4.025 50 0 IIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)C1 ZINC000021915384 524224345 /nfs/dbraw/zinc/22/43/45/524224345.db2.gz OCCLVIBBYNVPBV-LJQANCHMSA-N 1 1 448.611 4.375 50 0 IIAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012821545 524246339 /nfs/dbraw/zinc/24/63/39/524246339.db2.gz QOCITECVVVPNRP-HNNXBMFYSA-N 1 1 434.367 4.349 50 0 IIAAMO Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)o2)c1 ZINC000020732891 524450107 /nfs/dbraw/zinc/45/01/07/524450107.db2.gz OKGIBXPPUGWFKY-UHFFFAOYSA-N 1 1 446.613 4.087 50 0 IIAAMO Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CC[NH+](Cc2ccc(F)cc2F)CC3)cc1 ZINC000012098517 525415485 /nfs/dbraw/zinc/41/54/85/525415485.db2.gz JOJJPXDSNHZHJO-QFIPXVFZSA-N 1 1 428.523 4.413 50 0 IIAAMO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4nncn4C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000020909081 525907424 /nfs/dbraw/zinc/90/74/24/525907424.db2.gz HHFJKABCAVFDBX-FQEVSTJZSA-N 1 1 430.531 4.495 50 0 IIAAMO Cc1c([C@H](C)[NH2+]Cc2ccc(Sc3nncn3C)o2)cnn1-c1ccc(F)cc1F ZINC000012459787 525920212 /nfs/dbraw/zinc/92/02/12/525920212.db2.gz FKCKEWOCEZHDCZ-LBPRGKRZSA-N 1 1 430.484 4.182 50 0 IIAAMO Cc1ccc2c(C[NH+]3CCN(Cc4cccc(Br)c4)CC3)cc(=O)oc2c1 ZINC000022752971 526130046 /nfs/dbraw/zinc/13/00/46/526130046.db2.gz IMOMMVGDAJNVCK-UHFFFAOYSA-N 1 1 427.342 4.182 50 0 biogenic,in-vitro IIAAMO CSc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 ZINC000012385697 526221399 /nfs/dbraw/zinc/22/13/99/526221399.db2.gz GUDCJDDWCVHWCJ-UHFFFAOYSA-N 1 1 425.583 4.173 50 0 IIAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012690784 526307619 /nfs/dbraw/zinc/30/76/19/526307619.db2.gz KVLAZRGXBBSHBZ-SFHVURJKSA-N 1 1 433.961 4.063 50 0 IIAAMO S=c1n(-c2cccc(Cl)c2)cnn1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022803310 526388382 /nfs/dbraw/zinc/38/83/82/526388382.db2.gz HFCFFRGESSIBLO-VMPITWQZSA-N 1 1 425.989 4.345 50 0 IIAAMO O=C(NCc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930077 526667346 /nfs/dbraw/zinc/66/73/46/526667346.db2.gz HNNMOIDEAAEFGG-UHFFFAOYSA-N 1 1 428.895 4.058 50 0 IIAAMO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930083 526710248 /nfs/dbraw/zinc/71/02/48/526710248.db2.gz SAWBRGCDWKOWDM-UHFFFAOYSA-N 1 1 444.457 4.284 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012859975 526726073 /nfs/dbraw/zinc/72/60/73/526726073.db2.gz MOGNMOOSABZSKQ-UHFFFAOYSA-N 1 1 431.536 4.159 50 0 IIAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000012761812 526728655 /nfs/dbraw/zinc/72/86/55/526728655.db2.gz DHLDUEUWGRGJNB-DEOSSOPVSA-N 1 1 445.563 4.388 50 0 IIAAMO O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000012470510 526741983 /nfs/dbraw/zinc/74/19/83/526741983.db2.gz FQCONGPSFPUYHG-HSZRJFAPSA-N 1 1 447.579 4.064 50 0 IIAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000035592969 526848301 /nfs/dbraw/zinc/84/83/01/526848301.db2.gz BNJOBPFPXLVWGX-NRFANRHFSA-N 1 1 439.943 4.497 50 0 IIAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000035592969 526848305 /nfs/dbraw/zinc/84/83/05/526848305.db2.gz BNJOBPFPXLVWGX-NRFANRHFSA-N 1 1 439.943 4.497 50 0 IIAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000035592973 526848966 /nfs/dbraw/zinc/84/89/66/526848966.db2.gz BNJOBPFPXLVWGX-OAQYLSRUSA-N 1 1 439.943 4.497 50 0 IIAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000035592973 526848971 /nfs/dbraw/zinc/84/89/71/526848971.db2.gz BNJOBPFPXLVWGX-OAQYLSRUSA-N 1 1 439.943 4.497 50 0 IIAAMO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000034668060 555792075 /nfs/dbraw/zinc/79/20/75/555792075.db2.gz DINMNXWLOLVVRL-UHFFFAOYSA-N 1 1 436.531 4.127 50 0 IIAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740314 555883291 /nfs/dbraw/zinc/88/32/91/555883291.db2.gz AATAXLOUXXIGDO-WIOPSUGQSA-N 1 1 425.617 4.390 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855819 555924294 /nfs/dbraw/zinc/92/42/94/555924294.db2.gz GKQKKAQXONYVSN-NRFANRHFSA-N 1 1 425.573 4.209 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855819 555924298 /nfs/dbraw/zinc/92/42/98/555924298.db2.gz GKQKKAQXONYVSN-NRFANRHFSA-N 1 1 425.573 4.209 50 0 IIAAMO C[N@H+]1CCC[C@H]1CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000003871740 555949832 /nfs/dbraw/zinc/94/98/32/555949832.db2.gz LBFDERUQORUFIN-KRWDZBQOSA-N 1 1 438.531 4.174 50 0 in-vivo IIAAMO COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)[NH+]=C3Nc4ccccc4N32)cc(OC)c1OC ZINC000009290216 556274064 /nfs/dbraw/zinc/27/40/64/556274064.db2.gz CQDMOIVUUMEWIF-OAQYLSRUSA-N 1 1 437.496 4.281 50 0 IIAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000013768505 556304344 /nfs/dbraw/zinc/30/43/44/556304344.db2.gz LETHRQGOKYTXCQ-DNRSQYFGSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000013768505 556304349 /nfs/dbraw/zinc/30/43/49/556304349.db2.gz LETHRQGOKYTXCQ-DNRSQYFGSA-N 1 1 438.568 4.319 50 0 IIAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013986328 556351812 /nfs/dbraw/zinc/35/18/12/556351812.db2.gz RYGOEUQVJYQQQX-ILBGXUMGSA-N 1 1 426.516 4.145 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000011816448 556359080 /nfs/dbraw/zinc/35/90/80/556359080.db2.gz XSVKSOGOARFPIU-DEOSSOPVSA-N 1 1 435.612 4.032 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c(F)c1 ZINC000011816560 556359128 /nfs/dbraw/zinc/35/91/28/556359128.db2.gz QJROJJYKNFZCEF-IBGZPJMESA-N 1 1 436.531 4.035 50 0 IIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011842893 556366346 /nfs/dbraw/zinc/36/63/46/556366346.db2.gz WOJDXEMQGPMJRD-JOCHJYFZSA-N 1 1 441.566 4.301 50 0 IIAAMO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@H+](C)CCCCN2CCOCC2)o1 ZINC000011879704 556371775 /nfs/dbraw/zinc/37/17/75/556371775.db2.gz UHBOEFQHIRUCOA-UHFFFAOYSA-N 1 1 426.536 4.124 50 0 IIAAMO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+](C)CCCCN2CCOCC2)o1 ZINC000011879704 556371779 /nfs/dbraw/zinc/37/17/79/556371779.db2.gz UHBOEFQHIRUCOA-UHFFFAOYSA-N 1 1 426.536 4.124 50 0 IIAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000012025729 556387794 /nfs/dbraw/zinc/38/77/94/556387794.db2.gz HPGIZFUCPYSYTM-INIZCTEOSA-N 1 1 443.548 4.329 50 0 IIAAMO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014540907 556425518 /nfs/dbraw/zinc/42/55/18/556425518.db2.gz RPZNBAQNPNXOCX-JOCHJYFZSA-N 1 1 444.579 4.415 50 0 IIAAMO CC(C)C[N@H+]1CCCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000072281879 556463496 /nfs/dbraw/zinc/46/34/96/556463496.db2.gz ASUKKZDGMBETDH-HSZRJFAPSA-N 1 1 442.003 4.392 50 0 IIAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014963545 556464968 /nfs/dbraw/zinc/46/49/68/556464968.db2.gz CHFPCCGUJJPDDB-SNJAAQEYSA-N 1 1 443.595 4.050 50 0 IIAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NCc1ccc(OC(F)F)cc1 ZINC000028966729 556465272 /nfs/dbraw/zinc/46/52/72/556465272.db2.gz ZPKIGRNVINFYNU-UHFFFAOYSA-N 1 1 431.508 4.394 50 0 IIAAMO O=C(c1c[nH]c2ccccc21)[C@@H](O)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000015017683 556486396 /nfs/dbraw/zinc/48/63/96/556486396.db2.gz JYSZSQQCXBFFHG-ZCYQVOJMSA-N 1 1 431.561 4.337 50 0 IIAAMO COc1ccc([C@H](CNC(=O)C[N@@H+]2CCc3ccccc3C2)c2c[nH]c3ccccc32)cc1 ZINC000013164519 556496804 /nfs/dbraw/zinc/49/68/04/556496804.db2.gz VKUPANZUVYCZRP-VWLOTQADSA-N 1 1 439.559 4.483 50 0 IIAAMO COc1ccc([C@H](CNC(=O)C[N@H+]2CCc3ccccc3C2)c2c[nH]c3ccccc32)cc1 ZINC000013164519 556496806 /nfs/dbraw/zinc/49/68/06/556496806.db2.gz VKUPANZUVYCZRP-VWLOTQADSA-N 1 1 439.559 4.483 50 0 IIAAMO Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)c12 ZINC000032898776 556516869 /nfs/dbraw/zinc/51/68/69/556516869.db2.gz DWRUNEWSZJAHIZ-UHFFFAOYSA-N 1 1 434.471 4.278 50 0 IIAAMO Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c12 ZINC000032898776 556516872 /nfs/dbraw/zinc/51/68/72/556516872.db2.gz DWRUNEWSZJAHIZ-UHFFFAOYSA-N 1 1 434.471 4.278 50 0 IIAAMO C[N@@H+]1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000034863373 556584407 /nfs/dbraw/zinc/58/44/07/556584407.db2.gz SFZUDZSYTMGNGS-DQEYMECFSA-N 1 1 427.548 4.063 50 0 IIAAMO C[N@H+]1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000034863373 556584411 /nfs/dbraw/zinc/58/44/11/556584411.db2.gz SFZUDZSYTMGNGS-DQEYMECFSA-N 1 1 427.548 4.063 50 0 IIAAMO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339402 556601026 /nfs/dbraw/zinc/60/10/26/556601026.db2.gz KAIXMRUPEHZDHM-IBGZPJMESA-N 1 1 445.357 4.016 50 0 IIAAMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339402 556601029 /nfs/dbraw/zinc/60/10/29/556601029.db2.gz KAIXMRUPEHZDHM-IBGZPJMESA-N 1 1 445.357 4.016 50 0 IIAAMO O=C(COc1ccc2ccccc2c1Br)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016381490 556603576 /nfs/dbraw/zinc/60/35/76/556603576.db2.gz QHYWEXSSKXZKOG-UHFFFAOYSA-N 1 1 439.353 4.326 50 0 IIAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Br ZINC000016448490 556608671 /nfs/dbraw/zinc/60/86/71/556608671.db2.gz FUIJJZACWBDEET-UHFFFAOYSA-N 1 1 438.753 4.115 50 0 IIAAMO COc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)cc(I)c1O ZINC000016663055 556621180 /nfs/dbraw/zinc/62/11/80/556621180.db2.gz HZORGDMZKWVWFC-UHFFFAOYSA-N 1 1 437.321 4.460 50 0 IIAAMO CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)N4CC[NH+](CC)CC4)c3)C2)cc1 ZINC000033034888 556716722 /nfs/dbraw/zinc/71/67/22/556716722.db2.gz NMFCTCQIRBOOAL-VWLOTQADSA-N 1 1 433.596 4.047 50 0 IIAAMO O=C(CN1CCC[N@@H+](CC2CCCCC2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000057995185 556751642 /nfs/dbraw/zinc/75/16/42/556751642.db2.gz MJQLLGQPJIRRDB-UHFFFAOYSA-N 1 1 435.616 4.276 50 0 IIAAMO COc1ccc(C[N@H+](Cc2cc(=O)n3c(n2)sc2c3CCCC2)CC(C)C)cc1OC ZINC000033068970 556837205 /nfs/dbraw/zinc/83/72/05/556837205.db2.gz DRURBZGGUIFEIB-UHFFFAOYSA-N 1 1 441.597 4.310 50 0 IIAAMO Cc1nc([C@H](C)NC(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)n[nH]1 ZINC000067846802 556847244 /nfs/dbraw/zinc/84/72/44/556847244.db2.gz SBUYMQUQWZLYJY-AWEZNQCLSA-N 1 1 433.984 4.147 50 0 IIAAMO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4cccc(Br)c4)CC3)c2c1 ZINC000033088030 556855812 /nfs/dbraw/zinc/85/58/12/556855812.db2.gz BGWOKMJEZBEURL-UHFFFAOYSA-N 1 1 441.369 4.436 50 0 IIAAMO C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000060475150 556873056 /nfs/dbraw/zinc/87/30/56/556873056.db2.gz LDRFRZYNRMYQAY-MSOLQXFVSA-N 1 1 427.976 4.007 50 0 IIAAMO COc1ccc(OC)c(NC(=O)CC[NH+]2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000019883144 556937647 /nfs/dbraw/zinc/93/76/47/556937647.db2.gz IZSJMGMPTFSAGQ-UHFFFAOYSA-N 1 1 433.552 4.003 50 0 IIAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1OC ZINC000033268830 556986367 /nfs/dbraw/zinc/98/63/67/556986367.db2.gz SHAFOLAWSXZZTH-UHFFFAOYSA-N 1 1 439.512 4.211 50 0 IIAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1OC ZINC000033268830 556986368 /nfs/dbraw/zinc/98/63/68/556986368.db2.gz SHAFOLAWSXZZTH-UHFFFAOYSA-N 1 1 439.512 4.211 50 0 IIAAMO COc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)C3)sc2c1 ZINC000020113934 556987078 /nfs/dbraw/zinc/98/70/78/556987078.db2.gz CQICWBGTNIQDSJ-OTWHNJEPSA-N 1 1 444.645 4.006 50 0 IIAAMO O=C([C@H]1CC(c2ccccc2F)=NO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020328150 557007870 /nfs/dbraw/zinc/00/78/70/557007870.db2.gz CIOLNALRFDAQJG-RUZDIDTESA-N 1 1 443.522 4.253 50 0 IIAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000023181747 557045795 /nfs/dbraw/zinc/04/57/95/557045795.db2.gz QANQVIWJUCBTRP-YADARESESA-N 1 1 435.593 4.439 50 0 IIAAMO Cc1nc(-c2cc(S(=O)(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c(C)s2)sc1C ZINC000033290111 557072300 /nfs/dbraw/zinc/07/23/00/557072300.db2.gz HOPNLRRLUUFKNV-CYBMUJFWSA-N 1 1 427.661 4.197 50 0 IIAAMO CC[N@@H+]1CCC[C@H]1CNCc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000023377838 557088672 /nfs/dbraw/zinc/08/86/72/557088672.db2.gz QAFNIZBHMVYWFJ-DEOSSOPVSA-N 1 1 446.595 4.334 50 0 IIAAMO CC[N@H+]1CCC[C@H]1CNCc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000023377838 557088674 /nfs/dbraw/zinc/08/86/74/557088674.db2.gz QAFNIZBHMVYWFJ-DEOSSOPVSA-N 1 1 446.595 4.334 50 0 IIAAMO CC[N@@H+]1CCC[C@@H]1CNCc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000023377836 557088740 /nfs/dbraw/zinc/08/87/40/557088740.db2.gz QAFNIZBHMVYWFJ-XMMPIXPASA-N 1 1 446.595 4.334 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNCc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000023377836 557088743 /nfs/dbraw/zinc/08/87/43/557088743.db2.gz QAFNIZBHMVYWFJ-XMMPIXPASA-N 1 1 446.595 4.334 50 0 IIAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)N1CCN(c2ccccn2)CC1 ZINC000023478583 557093846 /nfs/dbraw/zinc/09/38/46/557093846.db2.gz ZHNUZHYAWMWNFD-OAQYLSRUSA-N 1 1 432.568 4.169 50 0 IIAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH+]c(C)n1 ZINC000033324505 557106300 /nfs/dbraw/zinc/10/63/00/557106300.db2.gz UAKNTXVJSXJTEG-UHFFFAOYSA-N 1 1 429.521 4.315 50 0 IIAAMO O=C(c1cccnc1N1CCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023908383 557125025 /nfs/dbraw/zinc/12/50/25/557125025.db2.gz JOSQZUHOUCRMFB-UHFFFAOYSA-N 1 1 426.564 4.229 50 0 IIAAMO CC(=O)c1cc2c(cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)OCO2 ZINC000024838132 557166884 /nfs/dbraw/zinc/16/68/84/557166884.db2.gz QRGLZGIURZYNBP-JOCHJYFZSA-N 1 1 426.469 4.136 50 0 IIAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+](C)Cc1cccs1 ZINC000024829983 557169967 /nfs/dbraw/zinc/16/99/67/557169967.db2.gz KFWSVKVWVUSQBH-CQSZACIVSA-N 1 1 427.492 4.063 50 0 IIAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+](C)Cc1cccs1 ZINC000024829983 557169969 /nfs/dbraw/zinc/16/99/69/557169969.db2.gz KFWSVKVWVUSQBH-CQSZACIVSA-N 1 1 427.492 4.063 50 0 IIAAMO Cc1c2ccc(Br)cc2oc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027583359 557266869 /nfs/dbraw/zinc/26/68/69/557266869.db2.gz NTWXULOEWZZLGZ-UHFFFAOYSA-N 1 1 448.405 4.184 50 0 IIAAMO O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104916702 557465176 /nfs/dbraw/zinc/46/51/76/557465176.db2.gz VWOUUVXVJDQPNA-JTHBVZDNSA-N 1 1 443.513 4.095 50 0 IIAAMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000106920881 557533289 /nfs/dbraw/zinc/53/32/89/557533289.db2.gz VGTHDNVHMOVQIF-PZJWPPBQSA-N 1 1 447.501 4.489 50 0 IIAAMO C[C@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000106926277 557533596 /nfs/dbraw/zinc/53/35/96/557533596.db2.gz PKORKFLCUDXWMW-UONOGXRCSA-N 1 1 428.886 4.395 50 0 IIAAMO O=C(c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000009115828 562967180 /nfs/dbraw/zinc/96/71/80/562967180.db2.gz KWNWTXXOSLFWHA-SSEXGKCCSA-N 1 1 449.016 4.472 50 0 IIAAMO O[C@H](COc1ccccc1CNC1(c2ccccc2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012301219 568612980 /nfs/dbraw/zinc/61/29/80/568612980.db2.gz NECGDKSXTQVGPH-SANMLTNESA-N 1 1 428.576 4.264 50 0 IIAAMO O[C@H](COc1ccccc1CNC1(c2ccccc2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000012301219 568612982 /nfs/dbraw/zinc/61/29/82/568612982.db2.gz NECGDKSXTQVGPH-SANMLTNESA-N 1 1 428.576 4.264 50 0 IIAAMO CC(C)C[N@@H+]1CC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)[O-])C1 ZINC000299760592 568755745 /nfs/dbraw/zinc/75/57/45/568755745.db2.gz VEUOUPAFZUZULL-GHTZIAJQSA-N 1 1 441.538 4.039 50 0 IIAAMO CC(C)C[N@H+]1CC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)[O-])C1 ZINC000299760592 568755746 /nfs/dbraw/zinc/75/57/46/568755746.db2.gz VEUOUPAFZUZULL-GHTZIAJQSA-N 1 1 441.538 4.039 50 0 IIAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000015669143 568801718 /nfs/dbraw/zinc/80/17/18/568801718.db2.gz NGILJHLYOMCMFF-UHFFFAOYSA-N 1 1 433.512 4.269 50 0 IIAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000015671353 568802885 /nfs/dbraw/zinc/80/28/85/568802885.db2.gz OLHNCMUBRJWQMH-UHFFFAOYSA-N 1 1 441.532 4.459 50 0 IIAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c(C)c1C ZINC000015671331 568802905 /nfs/dbraw/zinc/80/29/05/568802905.db2.gz PJMGROHXYJFXNN-UHFFFAOYSA-N 1 1 441.557 4.021 50 0 IIAAMO CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983635 568838802 /nfs/dbraw/zinc/83/88/02/568838802.db2.gz DILLGLRMGMRCSI-LEWJYISDSA-N 1 1 437.367 4.386 50 0 IIAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969237 568894109 /nfs/dbraw/zinc/89/41/09/568894109.db2.gz BKGNLSHFTSZWQC-VEXUSMLFSA-N 1 1 444.959 4.361 50 0 biogenic IIAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969237 568894111 /nfs/dbraw/zinc/89/41/11/568894111.db2.gz BKGNLSHFTSZWQC-VEXUSMLFSA-N 1 1 444.959 4.361 50 0 biogenic IIAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991592 568941729 /nfs/dbraw/zinc/94/17/29/568941729.db2.gz HMLQYASYTGAFJM-XMMPIXPASA-N 1 1 449.551 4.478 50 0 IIAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991103 568941794 /nfs/dbraw/zinc/94/17/94/568941794.db2.gz LWTAKMDYPWALLI-JOCHJYFZSA-N 1 1 427.589 4.373 50 0 IIAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063948 568945092 /nfs/dbraw/zinc/94/50/92/568945092.db2.gz JYJXTTTUPQDWMQ-RXVVDRJESA-N 1 1 429.561 4.029 50 0 IIAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063948 568945093 /nfs/dbraw/zinc/94/50/93/568945093.db2.gz JYJXTTTUPQDWMQ-RXVVDRJESA-N 1 1 429.561 4.029 50 0 IIAAMO CC(C)CC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)CC(C)C ZINC000036249339 568983214 /nfs/dbraw/zinc/98/32/14/568983214.db2.gz ZURPFHZLVUNOKW-UHFFFAOYSA-N 1 1 430.568 4.263 50 0 IIAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169679287 568990809 /nfs/dbraw/zinc/99/08/09/568990809.db2.gz VPVXXTXZQRMNHA-IRLDBZIGSA-N 1 1 437.550 4.473 50 0 IIAAMO CC(C)CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](C)O ZINC000036309684 568996444 /nfs/dbraw/zinc/99/64/44/568996444.db2.gz ZZBAMBKDMQAPGE-GCJKJVERSA-N 1 1 448.604 4.121 50 0 IIAAMO CC(C)c1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC3)C3CCCC3)CC2)cc1 ZINC000036310666 568996700 /nfs/dbraw/zinc/99/67/00/568996700.db2.gz CFYVMCXSPZOQGJ-HSZRJFAPSA-N 1 1 426.605 4.141 50 0 IIAAMO CCCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310907 568996906 /nfs/dbraw/zinc/99/69/06/568996906.db2.gz HGCHCLMSUAYJQC-HSZRJFAPSA-N 1 1 428.621 4.387 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2)C1 ZINC000036341591 569079343 /nfs/dbraw/zinc/07/93/43/569079343.db2.gz INDPNGGZZBGCES-NOZRDPDXSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2)C1 ZINC000036341591 569079344 /nfs/dbraw/zinc/07/93/44/569079344.db2.gz INDPNGGZZBGCES-NOZRDPDXSA-N 1 1 447.579 4.256 50 0 IIAAMO Cc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342510 569079517 /nfs/dbraw/zinc/07/95/17/569079517.db2.gz OOJIOURNGAQELJ-VWLOTQADSA-N 1 1 447.579 4.128 50 0 IIAAMO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000036343184 569079688 /nfs/dbraw/zinc/07/96/88/569079688.db2.gz NNRTZFBPALVKDX-HSZRJFAPSA-N 1 1 439.531 4.253 50 0 IIAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342045 569079700 /nfs/dbraw/zinc/07/97/00/569079700.db2.gz OMCFIEYFGBAQBN-OAQYLSRUSA-N 1 1 427.520 4.331 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342045 569079702 /nfs/dbraw/zinc/07/97/02/569079702.db2.gz OMCFIEYFGBAQBN-OAQYLSRUSA-N 1 1 427.520 4.331 50 0 IIAAMO COc1ccc(OC)c([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036344371 569079993 /nfs/dbraw/zinc/07/99/93/569079993.db2.gz JLUZZGWYXWABKH-DEOSSOPVSA-N 1 1 435.568 4.484 50 0 IIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346039 569080811 /nfs/dbraw/zinc/08/08/11/569080811.db2.gz MSVQGLSBVWZXHA-OAQYLSRUSA-N 1 1 439.531 4.474 50 0 IIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346039 569080812 /nfs/dbraw/zinc/08/08/12/569080812.db2.gz MSVQGLSBVWZXHA-OAQYLSRUSA-N 1 1 439.531 4.474 50 0 IIAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346712 569081371 /nfs/dbraw/zinc/08/13/71/569081371.db2.gz ICJUOJJMMIEPDL-OAQYLSRUSA-N 1 1 445.510 4.469 50 0 IIAAMO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2c(n1)onc2-c1ccc(F)cc1 ZINC000036613422 569123854 /nfs/dbraw/zinc/12/38/54/569123854.db2.gz PIHXSOHEPSUMRV-UHFFFAOYSA-N 1 1 430.483 4.295 50 0 IIAAMO Cc1oc2c(c1C(=O)Nc1ccc(N3CCOCC3)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065289662 569130636 /nfs/dbraw/zinc/13/06/36/569130636.db2.gz FESJOYCYZIYUSS-UHFFFAOYSA-N 1 1 431.536 4.235 50 0 IIAAMO Cc1oc2c(c1C(=O)Nc1ccc(N3CCOCC3)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000065289662 569130638 /nfs/dbraw/zinc/13/06/38/569130638.db2.gz FESJOYCYZIYUSS-UHFFFAOYSA-N 1 1 431.536 4.235 50 0 IIAAMO CCOCCN1CC[N@@H+](C[C@@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000252550213 569190862 /nfs/dbraw/zinc/19/08/62/569190862.db2.gz SHTSUYDYNQWHCN-UXHICEINSA-N 1 1 447.620 4.285 50 0 IIAAMO CCOCC[N@@H+]1CCN(C[C@@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000252550213 569190864 /nfs/dbraw/zinc/19/08/64/569190864.db2.gz SHTSUYDYNQWHCN-UXHICEINSA-N 1 1 447.620 4.285 50 0 IIAAMO CCOCC[N@H+]1CCN(C[C@@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000252550213 569190866 /nfs/dbraw/zinc/19/08/66/569190866.db2.gz SHTSUYDYNQWHCN-UXHICEINSA-N 1 1 447.620 4.285 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037470490 569197379 /nfs/dbraw/zinc/19/73/79/569197379.db2.gz RGEOHYIPFAAHOM-IRXDYDNUSA-N 1 1 429.948 4.335 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037470490 569197380 /nfs/dbraw/zinc/19/73/80/569197380.db2.gz RGEOHYIPFAAHOM-IRXDYDNUSA-N 1 1 429.948 4.335 50 0 IIAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000013061905 569308617 /nfs/dbraw/zinc/30/86/17/569308617.db2.gz WFWGECMGHXFJHI-UHFFFAOYSA-N 1 1 445.629 4.085 50 0 IIAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000013061905 569308619 /nfs/dbraw/zinc/30/86/19/569308619.db2.gz WFWGECMGHXFJHI-UHFFFAOYSA-N 1 1 445.629 4.085 50 0 IIAAMO CSc1cccc(Nc2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000020212401 569356377 /nfs/dbraw/zinc/35/63/77/569356377.db2.gz WRALOYJORDJNRK-UHFFFAOYSA-N 1 1 436.581 4.152 50 0 IIAAMO O=C(Cn1ccc2ccccc21)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000225631094 569406170 /nfs/dbraw/zinc/40/61/70/569406170.db2.gz HDKPSWCYFOTNFA-RUZDIDTESA-N 1 1 431.580 4.314 50 0 IIAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000230156857 569439654 /nfs/dbraw/zinc/43/96/54/569439654.db2.gz OAFCMBTWSKINQK-XTEPFMGCSA-N 1 1 436.559 4.343 50 0 biogenic IIAAMO CCOc1ccc2nc(NC(=O)C3CC[NH+](Cc4nc5ccccc5[nH]4)CC3)sc2c1 ZINC000038489447 569463091 /nfs/dbraw/zinc/46/30/91/569463091.db2.gz XVRPYZFDXIEFDH-UHFFFAOYSA-N 1 1 435.553 4.422 50 0 IIAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccn2)N2CC[NH+](C)CC2)c1C ZINC000038546743 569463649 /nfs/dbraw/zinc/46/36/49/569463649.db2.gz IWWBKAVETKMDFR-FQEVSTJZSA-N 1 1 426.611 4.411 50 0 IIAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1OC ZINC000008721986 569471765 /nfs/dbraw/zinc/47/17/65/569471765.db2.gz MZSXIWNEUABPOK-JOCHJYFZSA-N 1 1 435.549 4.178 50 0 IIAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1OC ZINC000008721986 569471766 /nfs/dbraw/zinc/47/17/66/569471766.db2.gz MZSXIWNEUABPOK-JOCHJYFZSA-N 1 1 435.549 4.178 50 0 IIAAMO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1F ZINC000008901715 569484315 /nfs/dbraw/zinc/48/43/15/569484315.db2.gz VXPIVEMCBLGUCY-IBGZPJMESA-N 1 1 426.579 4.182 50 0 IIAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1Cl ZINC000008901664 569484348 /nfs/dbraw/zinc/48/43/48/569484348.db2.gz YTJWKRNHPQKVKX-SFHVURJKSA-N 1 1 429.007 4.306 50 0 IIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Br)OCO4)N3)C1 ZINC000008927654 569487326 /nfs/dbraw/zinc/48/73/26/569487326.db2.gz NSRNNAGNOUZOIF-MRXNPFEDSA-N 1 1 436.331 4.046 50 0 IIAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000040119462 569489387 /nfs/dbraw/zinc/48/93/87/569489387.db2.gz YFWFUCZLDOQPMZ-IBGZPJMESA-N 1 1 441.597 4.098 50 0 IIAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000040146903 569492335 /nfs/dbraw/zinc/49/23/35/569492335.db2.gz WUTQVQAYZPSBJV-SZNDQCEHSA-N 1 1 445.922 4.234 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000040146903 569492336 /nfs/dbraw/zinc/49/23/36/569492336.db2.gz WUTQVQAYZPSBJV-SZNDQCEHSA-N 1 1 445.922 4.234 50 0 IIAAMO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Br)c1OC ZINC000040156915 569494197 /nfs/dbraw/zinc/49/41/97/569494197.db2.gz YEYRMMNEHKGXEJ-MRXNPFEDSA-N 1 1 433.346 4.317 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Br)c1OC ZINC000040156915 569494198 /nfs/dbraw/zinc/49/41/98/569494198.db2.gz YEYRMMNEHKGXEJ-MRXNPFEDSA-N 1 1 433.346 4.317 50 0 IIAAMO CCC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245327976 569503861 /nfs/dbraw/zinc/50/38/61/569503861.db2.gz MHHOBLVUYIZPRQ-IFMALSPDSA-N 1 1 444.641 4.353 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)[NH+]2CCCC2)cc1 ZINC000009128496 569505459 /nfs/dbraw/zinc/50/54/59/569505459.db2.gz DFGIGEPRVQXWBO-VWLOTQADSA-N 1 1 428.532 4.493 50 0 IIAAMO CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000009432375 569534384 /nfs/dbraw/zinc/53/43/84/569534384.db2.gz VRVVRZMLMVKKCY-DNQXCXABSA-N 1 1 447.604 4.297 50 0 IIAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000009488069 569539810 /nfs/dbraw/zinc/53/98/10/569539810.db2.gz XRTBSOUYSOFXJB-DNQXCXABSA-N 1 1 436.471 4.277 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000009680629 569560048 /nfs/dbraw/zinc/56/00/48/569560048.db2.gz YWXYHMPUTHWOQI-QGZVFWFLSA-N 1 1 434.540 4.210 50 0 IIAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009762523 569566528 /nfs/dbraw/zinc/56/65/28/569566528.db2.gz BRQXJJUEGAISOI-JOCHJYFZSA-N 1 1 447.604 4.256 50 0 IIAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699352 569587553 /nfs/dbraw/zinc/58/75/53/569587553.db2.gz HEIHNEJRGMHETE-WNCULLNHSA-N 1 1 447.554 4.494 50 0 IIAAMO CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022933197 519724155 /nfs/dbraw/zinc/72/41/55/519724155.db2.gz AMZXWMPESHIFOV-QGZVFWFLSA-N 1 1 436.581 4.005 50 0 IIAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991472 520511320 /nfs/dbraw/zinc/51/13/20/520511320.db2.gz WZRSISLCNCCKND-IBGZPJMESA-N 1 1 439.478 4.095 50 0 IIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)C1 ZINC000012594316 520539785 /nfs/dbraw/zinc/53/97/85/520539785.db2.gz MKAAFSDEXITBKK-HNNXBMFYSA-N 1 1 433.936 4.113 50 0 IIAAMO CC[N@@H+](CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)Cc1ccccc1 ZINC000020933841 521023142 /nfs/dbraw/zinc/02/31/42/521023142.db2.gz JPEOITAWSYHXNX-UHFFFAOYSA-N 1 1 445.542 4.444 50 0 IIAAMO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022908264 521048974 /nfs/dbraw/zinc/04/89/74/521048974.db2.gz AEOWHXSYOXMGTG-JOCHJYFZSA-N 1 1 449.576 4.001 50 0 IIAAMO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022908264 521048981 /nfs/dbraw/zinc/04/89/81/521048981.db2.gz AEOWHXSYOXMGTG-JOCHJYFZSA-N 1 1 449.576 4.001 50 0 IIAAMO CCOc1ccc2nc(N3CCC[N@@H+](Cc4ccc(NC(C)=O)cc4)CC3)nc(C)c2c1 ZINC000012191362 521302452 /nfs/dbraw/zinc/30/24/52/521302452.db2.gz AAZANXGLTHWMSP-UHFFFAOYSA-N 1 1 433.556 4.008 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012413704 521372172 /nfs/dbraw/zinc/37/21/72/521372172.db2.gz HESXUVBANNOGHZ-IYBDPMFKSA-N 1 1 446.569 4.038 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012413704 521372181 /nfs/dbraw/zinc/37/21/81/521372181.db2.gz HESXUVBANNOGHZ-IYBDPMFKSA-N 1 1 446.569 4.038 50 0 IIAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431801 521634065 /nfs/dbraw/zinc/63/40/65/521634065.db2.gz KQZAPXGPTTVCQX-HXUWFJFHSA-N 1 1 444.645 4.304 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431801 521634069 /nfs/dbraw/zinc/63/40/69/521634069.db2.gz KQZAPXGPTTVCQX-HXUWFJFHSA-N 1 1 444.645 4.304 50 0 IIAAMO CC[NH+]1CCN([C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Br)cc2)CC1 ZINC000021777288 521692862 /nfs/dbraw/zinc/69/28/62/521692862.db2.gz YLWYGJKPFOBRAI-LJQANCHMSA-N 1 1 427.346 4.226 50 0 IIAAMO CC[NH+]1CCN(c2ccc(NC(=O)CNC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000057290029 521698455 /nfs/dbraw/zinc/69/84/55/521698455.db2.gz CQXWIMWUVNULDH-UHFFFAOYSA-N 1 1 428.580 4.146 50 0 IIAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000012315578 523104585 /nfs/dbraw/zinc/10/45/85/523104585.db2.gz BULBOBKHERWKQW-LJQANCHMSA-N 1 1 430.980 4.068 50 0 IIAAMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccccc2-c2ncc[nH]2)Cc2ccccc2C1 ZINC000020998289 523343083 /nfs/dbraw/zinc/34/30/83/523343083.db2.gz NFISKXNRMAXVAH-UHFFFAOYSA-N 1 1 436.559 4.476 50 0 IIAAMO COCCN1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835583 523829019 /nfs/dbraw/zinc/82/90/19/523829019.db2.gz LCRFBQZLFWFDCF-OAQYLSRUSA-N 1 1 434.584 4.327 50 0 IIAAMO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429688 523949384 /nfs/dbraw/zinc/94/93/84/523949384.db2.gz KPVNTVCXQZJLRP-DEOSSOPVSA-N 1 1 440.628 4.361 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429688 523949387 /nfs/dbraw/zinc/94/93/87/523949387.db2.gz KPVNTVCXQZJLRP-DEOSSOPVSA-N 1 1 440.628 4.361 50 0 IIAAMO COc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020686943 524021974 /nfs/dbraw/zinc/02/19/74/524021974.db2.gz YTSPECJUINQHAL-DFIYOIEZSA-N 1 1 449.595 4.162 50 0 IIAAMO COc1ccc(CN2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1OC ZINC000022800209 524033128 /nfs/dbraw/zinc/03/31/28/524033128.db2.gz MXMPQRXJRYJSQY-UHFFFAOYSA-N 1 1 445.563 4.274 50 0 IIAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)CC(C)C)cc1 ZINC000036043000 524039035 /nfs/dbraw/zinc/03/90/35/524039035.db2.gz CUJYVRDUFVZBQG-WXTAPIANSA-N 1 1 440.584 4.363 50 0 IIAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)CC(C)C)cc1 ZINC000036043000 524039037 /nfs/dbraw/zinc/03/90/37/524039037.db2.gz CUJYVRDUFVZBQG-WXTAPIANSA-N 1 1 440.584 4.363 50 0 IIAAMO COc1ccccc1C(=O)N[C@@H](C)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022784942 524352940 /nfs/dbraw/zinc/35/29/40/524352940.db2.gz NFSDPKKDKLLNMX-NBGIEHNGSA-N 1 1 449.620 4.434 50 0 IIAAMO Cc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cccc(C)c4C)[nH]c(=O)c3C2)cc1 ZINC000020467776 524475413 /nfs/dbraw/zinc/47/54/13/524475413.db2.gz KSOPTQQTIBHVAY-UHFFFAOYSA-N 1 1 448.592 4.397 50 0 IIAAMO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2cc(C(C)C)n[nH]2)CC1 ZINC000012306815 524618050 /nfs/dbraw/zinc/61/80/50/524618050.db2.gz JSSAMKYXLZYUPL-UHFFFAOYSA-N 1 1 437.548 4.219 50 0 IIAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(OCc2csc(C)n2)cc1)[NH+](C)C ZINC000021557072 524793465 /nfs/dbraw/zinc/79/34/65/524793465.db2.gz UGLFZVNRKXNQHZ-NRFANRHFSA-N 1 1 425.554 4.072 50 0 IIAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)c(C)c1 ZINC000035457237 525100857 /nfs/dbraw/zinc/10/08/57/525100857.db2.gz PKSFHVLCFCLZLU-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)c(C)c1 ZINC000035457237 525100871 /nfs/dbraw/zinc/10/08/71/525100871.db2.gz PKSFHVLCFCLZLU-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO C[C@H](NC(=O)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035869750 525157308 /nfs/dbraw/zinc/15/73/08/525157308.db2.gz DXJUHIVEXNDUNR-MAFNXUKGSA-N 1 1 425.576 4.427 50 0 IIAAMO C[C@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000012532890 525306563 /nfs/dbraw/zinc/30/65/63/525306563.db2.gz DHHODUQJNDGTFN-NRFANRHFSA-N 1 1 446.570 4.437 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)n2)C1 ZINC000022296250 525385799 /nfs/dbraw/zinc/38/57/99/525385799.db2.gz HBYLPXKALHCSJS-IYOUNJFTSA-N 1 1 430.599 4.063 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)n2)C1 ZINC000022296250 525385806 /nfs/dbraw/zinc/38/58/06/525385806.db2.gz HBYLPXKALHCSJS-IYOUNJFTSA-N 1 1 430.599 4.063 50 0 IIAAMO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCCC[N@@H+]4C)c3n2)cc1 ZINC000021789079 525732041 /nfs/dbraw/zinc/73/20/41/525732041.db2.gz WHNDBNVHEBJKAL-INIZCTEOSA-N 1 1 432.446 4.365 50 0 IIAAMO Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cs3)ccc12 ZINC000014529209 526147997 /nfs/dbraw/zinc/14/79/97/526147997.db2.gz KUCSEJFDURXLBL-GJZGRUSLSA-N 1 1 441.553 4.053 50 0 IIAAMO C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012756646 526153163 /nfs/dbraw/zinc/15/31/63/526153163.db2.gz LLPAIWTXNLZYTG-OAHLLOKOSA-N 1 1 430.346 4.127 50 0 IIAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795566 526196004 /nfs/dbraw/zinc/19/60/04/526196004.db2.gz GGFWARNAMDIOSL-UHFFFAOYSA-N 1 1 434.500 4.018 50 0 IIAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000012297557 526747498 /nfs/dbraw/zinc/74/74/98/526747498.db2.gz YBGLOZQKOAYDAX-MRXNPFEDSA-N 1 1 439.537 4.082 50 0 IIAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000012297557 526747504 /nfs/dbraw/zinc/74/75/04/526747504.db2.gz YBGLOZQKOAYDAX-MRXNPFEDSA-N 1 1 439.537 4.082 50 0 IIAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[nH+]1 ZINC000021794379 527003659 /nfs/dbraw/zinc/00/36/59/527003659.db2.gz IJOFGGZCWHEPDR-UHFFFAOYSA-N 1 1 431.496 4.500 50 0 IIAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794379 527003665 /nfs/dbraw/zinc/00/36/65/527003665.db2.gz IJOFGGZCWHEPDR-UHFFFAOYSA-N 1 1 431.496 4.500 50 0 IIAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000012438937 527318934 /nfs/dbraw/zinc/31/89/34/527318934.db2.gz VBNTUDQREAPGFY-KRWDZBQOSA-N 1 1 432.553 4.175 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000002728169 555803406 /nfs/dbraw/zinc/80/34/06/555803406.db2.gz DPIBTYCAPATMQR-FQEVSTJZSA-N 1 1 435.549 4.207 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855502 555923945 /nfs/dbraw/zinc/92/39/45/555923945.db2.gz LKHZBDSEOZENKB-UZUQRXQVSA-N 1 1 425.573 4.289 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855502 555923947 /nfs/dbraw/zinc/92/39/47/555923947.db2.gz LKHZBDSEOZENKB-UZUQRXQVSA-N 1 1 425.573 4.289 50 0 IIAAMO CCCC[N@@H+](CC)CCNC(=O)Cn1c(C)c(C(=O)OCC)c(C)c1-c1ccccc1 ZINC000005054107 556030246 /nfs/dbraw/zinc/03/02/46/556030246.db2.gz KXIWXELJTYPKOF-UHFFFAOYSA-N 1 1 427.589 4.187 50 0 IIAAMO CC[C@@H](NC(=O)C(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000006874897 556107454 /nfs/dbraw/zinc/10/74/54/556107454.db2.gz ATGNGHHMCJVJNU-ZJSXRUAMSA-N 1 1 428.548 4.493 50 0 IIAAMO CC[C@@H](NC(=O)C(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000006874897 556107457 /nfs/dbraw/zinc/10/74/57/556107457.db2.gz ATGNGHHMCJVJNU-ZJSXRUAMSA-N 1 1 428.548 4.493 50 0 IIAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013770337 556304871 /nfs/dbraw/zinc/30/48/71/556304871.db2.gz ZXXBAAIJVVBJMR-HDYLNDSGSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013770337 556304874 /nfs/dbraw/zinc/30/48/74/556304874.db2.gz ZXXBAAIJVVBJMR-HDYLNDSGSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000009933444 556316988 /nfs/dbraw/zinc/31/69/88/556316988.db2.gz WUESVFUGYXAONW-IBGZPJMESA-N 1 1 443.385 4.255 50 0 IIAAMO OC(c1ccccc1)(c1ccccc1)C1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000011812788 556356502 /nfs/dbraw/zinc/35/65/02/556356502.db2.gz ZLKSUDXSNAHMOU-UHFFFAOYSA-N 1 1 426.520 4.280 50 0 IIAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000014075363 556361411 /nfs/dbraw/zinc/36/14/11/556361411.db2.gz BSXXAEBCSZYXPR-UHFFFAOYSA-N 1 1 432.564 4.175 50 0 IIAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000014075363 556361417 /nfs/dbraw/zinc/36/14/17/556361417.db2.gz BSXXAEBCSZYXPR-UHFFFAOYSA-N 1 1 432.564 4.175 50 0 IIAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccc2nonc21 ZINC000011843851 556367073 /nfs/dbraw/zinc/36/70/73/556367073.db2.gz MYJZBKACISWWAP-QFIPXVFZSA-N 1 1 429.480 4.403 50 0 IIAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1cccc2nonc21 ZINC000011843851 556367076 /nfs/dbraw/zinc/36/70/76/556367076.db2.gz MYJZBKACISWWAP-QFIPXVFZSA-N 1 1 429.480 4.403 50 0 IIAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC000014129557 556374574 /nfs/dbraw/zinc/37/45/74/556374574.db2.gz VHYIBWMYDXSFCN-IBGZPJMESA-N 1 1 447.608 4.142 50 0 IIAAMO COc1ccc(F)c(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 ZINC000011998537 556384947 /nfs/dbraw/zinc/38/49/47/556384947.db2.gz LONLIGMKIJHSPP-GOSISDBHSA-N 1 1 444.547 4.160 50 0 IIAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)[N@H+]3CCC[C@@]123 ZINC000012316012 556403311 /nfs/dbraw/zinc/40/33/11/556403311.db2.gz DZHTXULHUPVGFH-JTJYXVOQSA-N 1 1 432.955 4.464 50 0 IIAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C ZINC000014878633 556452110 /nfs/dbraw/zinc/45/21/10/556452110.db2.gz BAGKDXNTTQDNSI-JOCHJYFZSA-N 1 1 445.611 4.072 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](CCC(C)C)CC3)c1 ZINC000014958138 556463096 /nfs/dbraw/zinc/46/30/96/556463096.db2.gz NHBLNSJZCGHRGQ-JOCHJYFZSA-N 1 1 425.621 4.316 50 0 IIAAMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)ccc1OC(F)F ZINC000029253617 556470867 /nfs/dbraw/zinc/47/08/67/556470867.db2.gz UJTVOXKFRAJORY-HNNXBMFYSA-N 1 1 435.471 4.082 50 0 IIAAMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)ccc1OC(F)F ZINC000029253617 556470869 /nfs/dbraw/zinc/47/08/69/556470869.db2.gz UJTVOXKFRAJORY-HNNXBMFYSA-N 1 1 435.471 4.082 50 0 IIAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000014994063 556476490 /nfs/dbraw/zinc/47/64/90/556476490.db2.gz RLJNOXRDVYBBRT-HSZRJFAPSA-N 1 1 435.572 4.180 50 0 IIAAMO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc2ncnc(NCc3ccco3)c12 ZINC000014996668 556478304 /nfs/dbraw/zinc/47/83/04/556478304.db2.gz BOCGEDRTGDZFAN-SFHVURJKSA-N 1 1 447.564 4.209 50 0 IIAAMO Cc1nn(C)c(C)c1CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181221 556491412 /nfs/dbraw/zinc/49/14/12/556491412.db2.gz CMZJUQJTHFMJMP-UHFFFAOYSA-N 1 1 440.588 4.182 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000015105734 556503946 /nfs/dbraw/zinc/50/39/46/556503946.db2.gz OHLWFLFQUMNPJE-HSZRJFAPSA-N 1 1 437.584 4.292 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000015105734 556503949 /nfs/dbraw/zinc/50/39/49/556503949.db2.gz OHLWFLFQUMNPJE-HSZRJFAPSA-N 1 1 437.584 4.292 50 0 IIAAMO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000013590137 556529033 /nfs/dbraw/zinc/52/90/33/556529033.db2.gz DTJKFBWWGFMFTE-FQEVSTJZSA-N 1 1 427.342 4.036 50 0 IIAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCCC2 ZINC000015946873 556567769 /nfs/dbraw/zinc/56/77/69/556567769.db2.gz SSNMQXWMVATSAR-UHFFFAOYSA-N 1 1 439.537 4.209 50 0 IIAAMO C[NH+]1CCN(CC(=O)N2CCn3c4ccc(C5CCCCC5)cc4c4c3[C@@H]2CCC4)CC1 ZINC000019316049 556735897 /nfs/dbraw/zinc/73/58/97/556735897.db2.gz HUSWUBDMYRAXRD-VWLOTQADSA-N 1 1 434.628 4.156 50 0 IIAAMO O=C(c1cccn1Cc1ccncc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000058342106 556781887 /nfs/dbraw/zinc/78/18/87/556781887.db2.gz BXFHDDWCTNAWJJ-UHFFFAOYSA-N 1 1 436.559 4.479 50 0 IIAAMO Cc1ccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000097954618 556850448 /nfs/dbraw/zinc/85/04/48/556850448.db2.gz IFCGKIDDASYPJS-LBNVMWSVSA-N 1 1 428.624 4.371 50 0 IIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000019771233 556913148 /nfs/dbraw/zinc/91/31/48/556913148.db2.gz XCMCJRHXACXIHD-MRXNPFEDSA-N 1 1 439.503 4.093 50 0 IIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000019771233 556913151 /nfs/dbraw/zinc/91/31/51/556913151.db2.gz XCMCJRHXACXIHD-MRXNPFEDSA-N 1 1 439.503 4.093 50 0 IIAAMO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC1CCCCC1 ZINC000019823814 556925188 /nfs/dbraw/zinc/92/51/88/556925188.db2.gz UUFSYCZROPBVQJ-UHFFFAOYSA-N 1 1 433.596 4.149 50 0 IIAAMO CCCCOc1c(I)cc(C[NH2+]CCN(CC)CC)cc1OCC ZINC000019922787 556943980 /nfs/dbraw/zinc/94/39/80/556943980.db2.gz AYNSMMGRALVDJI-UHFFFAOYSA-N 1 1 448.389 4.300 50 0 IIAAMO O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020328076 557008077 /nfs/dbraw/zinc/00/80/77/557008077.db2.gz QWRBQFCSOXAQIB-VWLOTQADSA-N 1 1 443.522 4.253 50 0 IIAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000023181745 557045731 /nfs/dbraw/zinc/04/57/31/557045731.db2.gz QANQVIWJUCBTRP-CYFREDJKSA-N 1 1 435.593 4.439 50 0 IIAAMO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000023144775 557067998 /nfs/dbraw/zinc/06/79/98/557067998.db2.gz LFQUPXCXQWLTSP-INIZCTEOSA-N 1 1 441.963 4.083 50 0 IIAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C1CCCCC1 ZINC000048342813 557071361 /nfs/dbraw/zinc/07/13/61/557071361.db2.gz RVGRRJQHBWLWMI-UHFFFAOYSA-N 1 1 441.597 4.243 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1)NCc1ccc(F)c(F)c1 ZINC000023478424 557094065 /nfs/dbraw/zinc/09/40/65/557094065.db2.gz SFMFZSUOQMYHCI-HNNXBMFYSA-N 1 1 430.524 4.278 50 0 IIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000049604860 557115177 /nfs/dbraw/zinc/11/51/77/557115177.db2.gz CRGNQXJSQUALGF-HXUWFJFHSA-N 1 1 429.524 4.082 50 0 IIAAMO CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000000792535 557116120 /nfs/dbraw/zinc/11/61/20/557116120.db2.gz JICFRIASYYNYNI-UHFFFAOYSA-N 1 1 447.623 4.181 50 0 IIAAMO COc1cc(CCC2CC[NH+](CC(=O)Nc3ccnn3C3CCCC3)CC2)cc(OC)c1 ZINC000011414387 557144055 /nfs/dbraw/zinc/14/40/55/557144055.db2.gz ZJVAELAODBJIMS-UHFFFAOYSA-N 1 1 440.588 4.299 50 0 IIAAMO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1Cl ZINC000024865990 557175261 /nfs/dbraw/zinc/17/52/61/557175261.db2.gz GGBBRPXNFSKIFG-SJKOYZFVSA-N 1 1 425.838 4.297 50 0 IIAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000022995677 557275756 /nfs/dbraw/zinc/27/57/56/557275756.db2.gz OFTNGSMNVGKTJU-UHFFFAOYSA-N 1 1 445.611 4.252 50 0 IIAAMO C(Nc1nc(C2CC2)nc2sc3c(c21)CCCC3)[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000060861166 557311841 /nfs/dbraw/zinc/31/18/41/557311841.db2.gz BBIXRAFDBKEUDT-QFIPXVFZSA-N 1 1 430.643 4.067 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2)C1 ZINC000105008246 557471699 /nfs/dbraw/zinc/47/16/99/557471699.db2.gz INDPNGGZZBGCES-UKILVPOCSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2)C1 ZINC000105008246 557471701 /nfs/dbraw/zinc/47/17/01/557471701.db2.gz INDPNGGZZBGCES-UKILVPOCSA-N 1 1 447.579 4.256 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105019200 557473127 /nfs/dbraw/zinc/47/31/27/557473127.db2.gz WHFMJHOYAPUAAH-UKILVPOCSA-N 1 1 426.576 4.481 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3ccc(C)cc3n2)cc1OC ZINC000045974093 557555944 /nfs/dbraw/zinc/55/59/44/557555944.db2.gz ZRPKQCVTALTZEP-UHFFFAOYSA-N 1 1 429.520 4.223 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccc(C)cc3n2)cc1OC ZINC000045974093 557555946 /nfs/dbraw/zinc/55/59/46/557555946.db2.gz ZRPKQCVTALTZEP-UHFFFAOYSA-N 1 1 429.520 4.223 50 0 IIAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1Cl ZINC000029045541 557731315 /nfs/dbraw/zinc/73/13/15/557731315.db2.gz LAUZVUZDQLTZLK-NRFANRHFSA-N 1 1 444.362 4.236 50 0 IIAAMO CC[C@@H](c1nnc(SCC(=O)Nc2cccnc2Cl)n1-c1ccccc1)[NH+](C)C ZINC000002726019 562930106 /nfs/dbraw/zinc/93/01/06/562930106.db2.gz KTNSZBJIQMJEGJ-INIZCTEOSA-N 1 1 430.965 4.059 50 0 IIAAMO COCCCNC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590218 562951526 /nfs/dbraw/zinc/95/15/26/562951526.db2.gz KBUJTBDLHAWKDI-LJQANCHMSA-N 1 1 432.634 4.340 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009288937 562968899 /nfs/dbraw/zinc/96/88/99/562968899.db2.gz YVKDZHZNDVCQAL-MSOLQXFVSA-N 1 1 440.613 4.251 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984488 568623172 /nfs/dbraw/zinc/62/31/72/568623172.db2.gz VDEXVGMLLYYPSC-FGZHOGPDSA-N 1 1 434.939 4.260 50 0 IIAAMO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000015681875 568806850 /nfs/dbraw/zinc/80/68/50/568806850.db2.gz SXPQKRITZKDITF-UHFFFAOYSA-N 1 1 442.579 4.312 50 0 IIAAMO C[N@@H+](CCNC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1)C1CCCCC1 ZINC000015733409 568815667 /nfs/dbraw/zinc/81/56/67/568815667.db2.gz RVZMGMLAUBGFGK-UHFFFAOYSA-N 1 1 434.540 4.163 50 0 IIAAMO Cc1ccc2ccc3cc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)[nH]c3c2n1 ZINC000085577769 568825309 /nfs/dbraw/zinc/82/53/09/568825309.db2.gz HLJVIHXKJVOKDE-UHFFFAOYSA-N 1 1 447.970 4.230 50 0 IIAAMO CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)ccc3[nH]2)cc1 ZINC000015863823 568849443 /nfs/dbraw/zinc/84/94/43/568849443.db2.gz WCPJOMZVAPJUJY-GOSISDBHSA-N 1 1 447.583 4.106 50 0 IIAAMO COc1ccc(C(=O)N[C@H](OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C(Cl)(Cl)Cl)cc1 ZINC000016041378 568868329 /nfs/dbraw/zinc/86/83/29/568868329.db2.gz ATPAPKBRPPCFQM-VDZJLULYSA-N 1 1 449.806 4.402 50 0 IIAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012950156 568871947 /nfs/dbraw/zinc/87/19/47/568871947.db2.gz YOQLOYQURBIBES-LJQANCHMSA-N 1 1 430.552 4.017 50 0 IIAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012950156 568871950 /nfs/dbraw/zinc/87/19/50/568871950.db2.gz YOQLOYQURBIBES-LJQANCHMSA-N 1 1 430.552 4.017 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)cc1OC ZINC000036095998 568951597 /nfs/dbraw/zinc/95/15/97/568951597.db2.gz RMRCHRUAQZHTSP-OAQYLSRUSA-N 1 1 429.488 4.016 50 0 IIAAMO CCNC(=O)N[C@@H](CC)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006695780 568952548 /nfs/dbraw/zinc/95/25/48/568952548.db2.gz VKESGOSEXZWSNU-URXFXBBRSA-N 1 1 425.573 4.209 50 0 IIAAMO COc1ccccc1NC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1 ZINC000064801543 568961516 /nfs/dbraw/zinc/96/15/16/568961516.db2.gz FWYQBNBAUNETSX-UHFFFAOYSA-N 1 1 434.500 4.018 50 0 IIAAMO Cc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COC(C)C)C2)cc1 ZINC000036146054 568962256 /nfs/dbraw/zinc/96/22/56/568962256.db2.gz QVHFCVVXVMGGMB-XZOQPEGZSA-N 1 1 430.976 4.430 50 0 IIAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@H](O)COc3ccccc3C)n2)cc1 ZINC000036147605 568962549 /nfs/dbraw/zinc/96/25/49/568962549.db2.gz LHEMCXZNZLVSGG-QFIPXVFZSA-N 1 1 447.535 4.431 50 0 IIAAMO Cc1nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859446 568972458 /nfs/dbraw/zinc/97/24/58/568972458.db2.gz PFQICPHGYPEQDK-UHFFFAOYSA-N 1 1 446.595 4.138 50 0 IIAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H](CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799368 568990174 /nfs/dbraw/zinc/99/01/74/568990174.db2.gz RZEVKFKWUUEZIU-SFHVURJKSA-N 1 1 428.602 4.109 50 0 IIAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H](CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799367 568990351 /nfs/dbraw/zinc/99/03/51/568990351.db2.gz RZEVKFKWUUEZIU-GOSISDBHSA-N 1 1 428.602 4.109 50 0 IIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)CC ZINC000036309406 568995780 /nfs/dbraw/zinc/99/57/80/568995780.db2.gz NUBJGLANUMUIIK-UNMCSNQZSA-N 1 1 444.641 4.353 50 0 IIAAMO CCN(CC)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310765 568996879 /nfs/dbraw/zinc/99/68/79/568996879.db2.gz SQEJFSNXGMHMLA-QHCPKHFHSA-N 1 1 428.621 4.387 50 0 IIAAMO C[N@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341785 569078934 /nfs/dbraw/zinc/07/89/34/569078934.db2.gz KAAKHRURWZDLBC-QHCPKHFHSA-N 1 1 445.494 4.364 50 0 IIAAMO C[N@@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341785 569078935 /nfs/dbraw/zinc/07/89/35/569078935.db2.gz KAAKHRURWZDLBC-QHCPKHFHSA-N 1 1 445.494 4.364 50 0 IIAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346681 569081404 /nfs/dbraw/zinc/08/14/04/569081404.db2.gz BPVPYRVFYUXHRG-NRFANRHFSA-N 1 1 445.510 4.471 50 0 IIAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346681 569081405 /nfs/dbraw/zinc/08/14/05/569081405.db2.gz BPVPYRVFYUXHRG-NRFANRHFSA-N 1 1 445.510 4.471 50 0 IIAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3c(C)noc3n2)cc1 ZINC000036613825 569123977 /nfs/dbraw/zinc/12/39/77/569123977.db2.gz TUWVVFWIEFQEMR-UHFFFAOYSA-N 1 1 442.519 4.165 50 0 IIAAMO O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000037136362 569140295 /nfs/dbraw/zinc/14/02/95/569140295.db2.gz GWLBTCSYFXHNMO-UHFFFAOYSA-N 1 1 425.479 4.287 50 0 IIAAMO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F)c1ccc(-c2ccccc2)nn1 ZINC000170617685 569146847 /nfs/dbraw/zinc/14/68/47/569146847.db2.gz HTXWGUPEFBIFNJ-UXHICEINSA-N 1 1 440.469 4.417 50 0 IIAAMO COc1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662029 569160837 /nfs/dbraw/zinc/16/08/37/569160837.db2.gz RTPFTTKFXSIMNB-PMACEKPBSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662029 569160838 /nfs/dbraw/zinc/16/08/38/569160838.db2.gz RTPFTTKFXSIMNB-PMACEKPBSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016891258 569165719 /nfs/dbraw/zinc/16/57/19/569165719.db2.gz XUSVATLRTSCCDN-CYFREDJKSA-N 1 1 435.593 4.439 50 0 IIAAMO COc1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016891264 569165807 /nfs/dbraw/zinc/16/58/07/569165807.db2.gz GOBFYLIDZNMIAP-YADARESESA-N 1 1 435.593 4.439 50 0 IIAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(C(=O)N3CCCC[C@H]3C)cc2)C1 ZINC000252452609 569184298 /nfs/dbraw/zinc/18/42/98/569184298.db2.gz QYCFUCZZNWMFKY-NHCUHLMSSA-N 1 1 428.621 4.013 50 0 IIAAMO CC(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000095394251 569363520 /nfs/dbraw/zinc/36/35/20/569363520.db2.gz QNVTYLOSYRZUDJ-UHFFFAOYSA-N 1 1 435.351 4.356 50 0 IIAAMO CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@](C)(O)c2ccco2)cc1)C[C@@H]1CCCCO1 ZINC000095460786 569369794 /nfs/dbraw/zinc/36/97/94/569369794.db2.gz FLAHRBOCEODRJK-URXFXBBRSA-N 1 1 429.561 4.088 50 0 IIAAMO CCCn1c(C(=O)N2CC[NH+](CC)CC2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000096275187 569388275 /nfs/dbraw/zinc/38/82/75/569388275.db2.gz YXWNEFPCXFMIOB-UHFFFAOYSA-N 1 1 432.568 4.390 50 0 IIAAMO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000096457213 569400814 /nfs/dbraw/zinc/40/08/14/569400814.db2.gz FUUKPPZRNLTKLV-RSXGOPAZSA-N 1 1 447.529 4.144 50 0 IIAAMO CCOc1cc(C(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc(OCC)c1OCC ZINC000225686892 569407112 /nfs/dbraw/zinc/40/71/12/569407112.db2.gz WSHSGPRXLKBUIJ-QFIPXVFZSA-N 1 1 438.568 4.156 50 0 IIAAMO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000057364816 569432301 /nfs/dbraw/zinc/43/23/01/569432301.db2.gz BUPBNLSDLRTQIP-IBGZPJMESA-N 1 1 431.536 4.223 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057478338 569435840 /nfs/dbraw/zinc/43/58/40/569435840.db2.gz OOEXQYQDLKYHFJ-NRFANRHFSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057478338 569435841 /nfs/dbraw/zinc/43/58/41/569435841.db2.gz OOEXQYQDLKYHFJ-NRFANRHFSA-N 1 1 427.932 4.033 50 0 IIAAMO COc1ccc(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000038906827 569469380 /nfs/dbraw/zinc/46/93/80/569469380.db2.gz ICRMLYKGYOBVKD-UHFFFAOYSA-N 1 1 430.548 4.294 50 0 IIAAMO Cc1ccc2nc(COc3ccc(C(=O)N4CC[N@@H+](C)C[C@@H]4c4ccccc4)cc3)cn2c1 ZINC000040050302 569484153 /nfs/dbraw/zinc/48/41/53/569484153.db2.gz XTUKADUFJCRSEZ-RUZDIDTESA-N 1 1 440.547 4.351 50 0 IIAAMO Cc1ccc2nc(COc3ccc(C(=O)N4CC[N@H+](C)C[C@@H]4c4ccccc4)cc3)cn2c1 ZINC000040050302 569484154 /nfs/dbraw/zinc/48/41/54/569484154.db2.gz XTUKADUFJCRSEZ-RUZDIDTESA-N 1 1 440.547 4.351 50 0 IIAAMO CCC(=O)N1CCc2cc(C(=O)Nc3nc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cs3)ccc21 ZINC000040144347 569491996 /nfs/dbraw/zinc/49/19/96/569491996.db2.gz BYTOLSOYBNZPLY-HOTGVXAUSA-N 1 1 426.586 4.172 50 0 IIAAMO COc1ccc(C(=O)N[C@H](OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)cc1 ZINC000009033507 569497161 /nfs/dbraw/zinc/49/71/61/569497161.db2.gz ATPAPKBRPPCFQM-KVSKMBFKSA-N 1 1 449.806 4.402 50 0 biogenic IIAAMO C[N@@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000009115660 569502837 /nfs/dbraw/zinc/50/28/37/569502837.db2.gz KDHGRIXIIUIFLD-PMERELPUSA-N 1 1 444.984 4.493 50 0 IIAAMO CSc1ccc(C[N@H+](C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000009155545 569508290 /nfs/dbraw/zinc/50/82/90/569508290.db2.gz RVVJBBJPDQKAJQ-UHFFFAOYSA-N 1 1 437.565 4.026 50 0 IIAAMO CSc1ccc(C[N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000009155545 569508291 /nfs/dbraw/zinc/50/82/91/569508291.db2.gz RVVJBBJPDQKAJQ-UHFFFAOYSA-N 1 1 437.565 4.026 50 0 IIAAMO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000009731712 569564677 /nfs/dbraw/zinc/56/46/77/569564677.db2.gz CQDXMJGKWBJFPE-UHFFFAOYSA-N 1 1 447.023 4.364 50 0 IIAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009762520 569566498 /nfs/dbraw/zinc/56/64/98/569566498.db2.gz BRQXJJUEGAISOI-QFIPXVFZSA-N 1 1 447.604 4.256 50 0 IIAAMO C/C=C(\C)C(=O)N1CCC([C@H](Cc2ccccc2F)[N@@H+](C)Cc2cn(C)nc2C)CC1 ZINC000020783301 518480756 /nfs/dbraw/zinc/48/07/56/518480756.db2.gz OSFUDNORONTISZ-FRJMIPQNSA-N 1 1 426.580 4.116 50 0 IIAAMO CC(C)Cc1cc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n[nH]1 ZINC000020783431 519432705 /nfs/dbraw/zinc/43/27/05/519432705.db2.gz CEEOKCFMFMFOFF-HSZRJFAPSA-N 1 1 449.565 4.414 50 0 IIAAMO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035907814 519714696 /nfs/dbraw/zinc/71/46/96/519714696.db2.gz LZQUGPRWUMASCB-IFMALSPDSA-N 1 1 431.502 4.093 50 0 IIAAMO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000013048995 519820038 /nfs/dbraw/zinc/82/00/38/519820038.db2.gz UNNCITIJUFOXEZ-RXVVDRJESA-N 1 1 448.394 4.139 50 0 IIAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2OCc2ccccc2Br)C1 ZINC000078935303 520246696 /nfs/dbraw/zinc/24/66/96/520246696.db2.gz LRQUOWMHXLUMSF-KRWDZBQOSA-N 1 1 431.374 4.442 50 0 IIAAMO CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)c(OC)cc1Br)[NH2+]CC2 ZINC000020478025 520797624 /nfs/dbraw/zinc/79/76/24/520797624.db2.gz QZOWSGFQNCCZEG-NRFANRHFSA-N 1 1 436.346 4.499 50 0 IIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)CC1 ZINC000012441565 520923868 /nfs/dbraw/zinc/92/38/68/520923868.db2.gz RDYLDIRXHHVNHD-SFHVURJKSA-N 1 1 435.996 4.069 50 0 IIAAMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2OC)CC1 ZINC000036628586 521123784 /nfs/dbraw/zinc/12/37/84/521123784.db2.gz BPMMIDJKYBWHJM-UHFFFAOYSA-N 1 1 441.535 4.155 50 0 IIAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012579580 521180107 /nfs/dbraw/zinc/18/01/07/521180107.db2.gz MAZPNMZUYFHQQM-XMMPIXPASA-N 1 1 439.581 4.330 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988234 521635965 /nfs/dbraw/zinc/63/59/65/521635965.db2.gz WFWLKRLQRPCPBC-HSZRJFAPSA-N 1 1 434.584 4.204 50 0 IIAAMO COCCc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)cn1 ZINC000012441175 522035266 /nfs/dbraw/zinc/03/52/66/522035266.db2.gz WQHCFAGHENURJQ-XMMPIXPASA-N 1 1 444.579 4.492 50 0 IIAAMO CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[N@H+]1CCCC[C@@H]1CC ZINC000020644246 522172948 /nfs/dbraw/zinc/17/29/48/522172948.db2.gz BQFCIGRRUIVPIV-MOPGFXCFSA-N 1 1 444.645 4.058 50 0 IIAAMO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000012850506 522454899 /nfs/dbraw/zinc/45/48/99/522454899.db2.gz OMNZNMJZTLSPQU-QGZVFWFLSA-N 1 1 425.838 4.078 50 0 IIAAMO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000012850506 522454910 /nfs/dbraw/zinc/45/49/10/522454910.db2.gz OMNZNMJZTLSPQU-QGZVFWFLSA-N 1 1 425.838 4.078 50 0 IIAAMO CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697143 523139563 /nfs/dbraw/zinc/13/95/63/523139563.db2.gz IVKKVSIPUKJZEM-XMMPIXPASA-N 1 1 439.506 4.072 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020508781 523170415 /nfs/dbraw/zinc/17/04/15/523170415.db2.gz WXPHNGKOXRETEO-HXUWFJFHSA-N 1 1 447.579 4.384 50 0 IIAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCN3CCCC3=O)c(C)o2)c(OC)c1 ZINC000012711370 523201235 /nfs/dbraw/zinc/20/12/35/523201235.db2.gz OBISNQFKJDUNJH-GOSISDBHSA-N 1 1 427.545 4.034 50 0 IIAAMO CCc1c(C(=O)N2CC=C(c3ccccc3)CC2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000012455666 523683404 /nfs/dbraw/zinc/68/34/04/523683404.db2.gz DXABLIDNFTXERN-QHCPKHFHSA-N 1 1 433.596 4.133 50 0 IIAAMO CCc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5CCOCC5)cc4sc3n2)cc1 ZINC000020490335 523858058 /nfs/dbraw/zinc/85/80/58/523858058.db2.gz UUABOICWASQGPN-UHFFFAOYSA-N 1 1 448.592 4.231 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)cc1OC ZINC000012592736 523941097 /nfs/dbraw/zinc/94/10/97/523941097.db2.gz ZVRRYRZOZQDHDJ-GOSISDBHSA-N 1 1 433.499 4.153 50 0 IIAAMO CCc1ccc(Sc2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020724906 524018990 /nfs/dbraw/zinc/01/89/90/524018990.db2.gz FEEFYSCYNTWJOJ-UHFFFAOYSA-N 1 1 435.593 4.401 50 0 IIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000035399178 524087546 /nfs/dbraw/zinc/08/75/46/524087546.db2.gz QBYQZICXVWKAIH-SFHVURJKSA-N 1 1 435.012 4.212 50 0 IIAAMO Cc1cccc(-c2cnc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)CC3)nc2)c1 ZINC000035455238 524109665 /nfs/dbraw/zinc/10/96/65/524109665.db2.gz MJVZBDQUZKFESO-OAQYLSRUSA-N 1 1 435.616 4.049 50 0 IIAAMO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022810934 524322436 /nfs/dbraw/zinc/32/24/36/524322436.db2.gz SKTKODIABOQZAQ-UGKGYDQZSA-N 1 1 426.630 4.047 50 0 IIAAMO COc1ccccc1CN(C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012714568 524434928 /nfs/dbraw/zinc/43/49/28/524434928.db2.gz RZTMKHGHLVSSQM-XMMPIXPASA-N 1 1 426.601 4.331 50 0 IIAAMO COc1ccccc1CN(C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012714568 524434933 /nfs/dbraw/zinc/43/49/33/524434933.db2.gz RZTMKHGHLVSSQM-XMMPIXPASA-N 1 1 426.601 4.331 50 0 IIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)cc1C ZINC000035844018 524928250 /nfs/dbraw/zinc/92/82/50/524928250.db2.gz FYLCRYPUYAAHSU-BJESRGMDSA-N 1 1 428.532 4.434 50 0 IIAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000012911385 524954728 /nfs/dbraw/zinc/95/47/28/524954728.db2.gz ULRBRDDTKXDNLD-FUHWJXTLSA-N 1 1 437.565 4.124 50 0 IIAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000012911385 524954741 /nfs/dbraw/zinc/95/47/41/524954741.db2.gz ULRBRDDTKXDNLD-FUHWJXTLSA-N 1 1 437.565 4.124 50 0 IIAAMO Cc1ccccc1C(=O)NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012622293 525051840 /nfs/dbraw/zinc/05/18/40/525051840.db2.gz OVBHDDQCHWVCRE-UHFFFAOYSA-N 1 1 429.589 4.417 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)[NH+]2CCCCC2)cc1 ZINC000012804703 525184757 /nfs/dbraw/zinc/18/47/57/525184757.db2.gz YTEXIVVWKLOHNA-OAQYLSRUSA-N 1 1 437.584 4.444 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000012791800 525407751 /nfs/dbraw/zinc/40/77/51/525407751.db2.gz VAAUEPQDLWNLSF-JOCHJYFZSA-N 1 1 443.975 4.329 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000012791800 525407756 /nfs/dbraw/zinc/40/77/56/525407756.db2.gz VAAUEPQDLWNLSF-JOCHJYFZSA-N 1 1 443.975 4.329 50 0 IIAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CC[NH+](C)CC1)occ3-c1ccccc1 ZINC000020622224 525964237 /nfs/dbraw/zinc/96/42/37/525964237.db2.gz GOHPDYHXVPUGRZ-UHFFFAOYSA-N 1 1 430.504 4.221 50 0 IIAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccc4c3OCCO4)CC2)cc1 ZINC000023334734 525980350 /nfs/dbraw/zinc/98/03/50/525980350.db2.gz HHIPYQANWSDORX-VWLOTQADSA-N 1 1 428.532 4.314 50 0 IIAAMO Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020677981 526147968 /nfs/dbraw/zinc/14/79/68/526147968.db2.gz MCGZHZMEYSDACW-UHFFFAOYSA-N 1 1 448.563 4.166 50 0 IIAAMO COc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)CC2=O)c1 ZINC000036724270 526161410 /nfs/dbraw/zinc/16/14/10/526161410.db2.gz QRFYASHEHYQDFR-FQEVSTJZSA-N 1 1 435.568 4.451 50 0 IIAAMO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc12 ZINC000012785651 526291160 /nfs/dbraw/zinc/29/11/60/526291160.db2.gz WTFNTIBQGOLDQA-SFHVURJKSA-N 1 1 426.517 4.219 50 0 IIAAMO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1cc2ccccc2oc1=O ZINC000022766086 526494205 /nfs/dbraw/zinc/49/42/05/526494205.db2.gz PTJMKVPFUQYJAM-QFIPXVFZSA-N 1 1 430.529 4.384 50 0 IIAAMO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1cc2ccccc2oc1=O ZINC000022766086 526494212 /nfs/dbraw/zinc/49/42/12/526494212.db2.gz PTJMKVPFUQYJAM-QFIPXVFZSA-N 1 1 430.529 4.384 50 0 IIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1ccc2nsnc2c1 ZINC000020601065 526496327 /nfs/dbraw/zinc/49/63/27/526496327.db2.gz KIGKFIBOKCBLJG-XMMPIXPASA-N 1 1 444.560 4.334 50 0 IIAAMO O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020936053 527098096 /nfs/dbraw/zinc/09/80/96/527098096.db2.gz FIZMHPPSBSCURJ-QHCPKHFHSA-N 1 1 445.588 4.180 50 0 IIAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000020648297 527409525 /nfs/dbraw/zinc/40/95/25/527409525.db2.gz MHZOSKJASRRYCB-UHFFFAOYSA-N 1 1 443.547 4.058 50 0 IIAAMO OCC[C@H]1CN(Cc2nc(-c3ccc(F)cc3)cs2)CC[N@H+]1CCc1ccccc1 ZINC000020778390 527573080 /nfs/dbraw/zinc/57/30/80/527573080.db2.gz HDLXGJPWWXCULE-QFIPXVFZSA-N 1 1 425.573 4.061 50 0 IIAAMO COc1ccccc1C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000034681825 555815233 /nfs/dbraw/zinc/81/52/33/555815233.db2.gz QJPQUVGLYXPTSW-UHFFFAOYSA-N 1 1 434.515 4.194 50 0 IIAAMO CCCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)cc1 ZINC000034855577 555923907 /nfs/dbraw/zinc/92/39/07/555923907.db2.gz BTNPBXAELKHCCW-MHECFPHRSA-N 1 1 425.573 4.209 50 0 IIAAMO CCCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000034855577 555923909 /nfs/dbraw/zinc/92/39/09/555923909.db2.gz BTNPBXAELKHCCW-MHECFPHRSA-N 1 1 425.573 4.209 50 0 IIAAMO O=c1[nH]c2ccccc2n1CCC[NH+]1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1 ZINC000004175569 555973053 /nfs/dbraw/zinc/97/30/53/555973053.db2.gz FGXWKSZFVQUSTL-UHFFFAOYSA-N 1 1 425.920 4.178 50 0 world IIAAMO C[C@H]1C[C@@H](N2CCN(Cc3ccc(Br)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000097377127 556132262 /nfs/dbraw/zinc/13/22/62/556132262.db2.gz RZZYJTLEPWZAAW-CVDCTZTESA-N 1 1 443.433 4.015 50 0 IIAAMO CCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000011869828 556368493 /nfs/dbraw/zinc/36/84/93/556368493.db2.gz LYXZHQZLVYVMHV-LJQANCHMSA-N 1 1 449.517 4.152 50 0 IIAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)Cc2ccccc2O1 ZINC000011880540 556372475 /nfs/dbraw/zinc/37/24/75/556372475.db2.gz GGZLIRQXXJGBPR-SFHVURJKSA-N 1 1 428.960 4.383 50 0 IIAAMO COc1cccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)c1OC ZINC000012028686 556388180 /nfs/dbraw/zinc/38/81/80/556388180.db2.gz XTRQHCPBISGDOV-REIDKSKDSA-N 1 1 426.944 4.295 50 0 IIAAMO O=C(c1cc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809518 556394417 /nfs/dbraw/zinc/39/44/17/556394417.db2.gz ORWNGERRTKHOAM-UHFFFAOYSA-N 1 1 447.535 4.354 50 0 IIAAMO CCn1cc(C[NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cn1 ZINC000012056726 556394464 /nfs/dbraw/zinc/39/44/64/556394464.db2.gz FVXQCULWNIEIPA-UHFFFAOYSA-N 1 1 430.980 4.272 50 0 IIAAMO O=C1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCN1Cc1ccncc1 ZINC000012079774 556398676 /nfs/dbraw/zinc/39/86/76/556398676.db2.gz XHUUEEKXSOZTRH-UHFFFAOYSA-N 1 1 437.547 4.169 50 0 IIAAMO Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3)n2)cc1 ZINC000032579067 556406068 /nfs/dbraw/zinc/40/60/68/556406068.db2.gz BQBQBQKODWWKSS-LJQANCHMSA-N 1 1 434.540 4.081 50 0 IIAAMO COc1ccc(OC)c([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)c1 ZINC000032622372 556409711 /nfs/dbraw/zinc/40/97/11/556409711.db2.gz QQJJDGUPMMXJBC-IBGZPJMESA-N 1 1 441.553 4.377 50 0 IIAAMO O=c1c(Cl)c(N2CC[NH+](Cc3csc4ccccc34)CC2)cnn1-c1ccccc1 ZINC000032853507 556431811 /nfs/dbraw/zinc/43/18/11/556431811.db2.gz ZDMBXFJMTYTLOT-UHFFFAOYSA-N 1 1 436.968 4.423 50 0 IIAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C ZINC000014878634 556452395 /nfs/dbraw/zinc/45/23/95/556452395.db2.gz BAGKDXNTTQDNSI-QFIPXVFZSA-N 1 1 445.611 4.072 50 0 IIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)CC1 ZINC000014954313 556461519 /nfs/dbraw/zinc/46/15/19/556461519.db2.gz FNTBBUVXBBQAOG-LJQANCHMSA-N 1 1 425.529 4.218 50 0 IIAAMO COc1cccc(-n2cc(C[N@@H+](C)[C@@H]3CCC(=O)N(Cc4ccccc4F)CC3)cn2)c1 ZINC000014984174 556472011 /nfs/dbraw/zinc/47/20/11/556472011.db2.gz RYKSTHSMGNFSGS-OAQYLSRUSA-N 1 1 436.531 4.033 50 0 IIAAMO c1cc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ncccn2)c1 ZINC000015064122 556491600 /nfs/dbraw/zinc/49/16/00/556491600.db2.gz NHMZGYYEOWFDPZ-UHFFFAOYSA-N 1 1 430.600 4.319 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)CCCc3cccs3)C2)cc1OC ZINC000015066091 556492712 /nfs/dbraw/zinc/49/27/12/556492712.db2.gz PQFMTKQMIXDXBO-FQEVSTJZSA-N 1 1 430.614 4.254 50 0 IIAAMO Cc1ccc(/C=C2/C(=O)N3c4ccccc4[C@@]45CC[N@@H+]6CC7=CCO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@H]65)cc1 ZINC000030836011 556507453 /nfs/dbraw/zinc/50/74/53/556507453.db2.gz GFIRKZRNWVSINQ-BEAYLOHESA-N 1 1 436.555 4.094 50 0 biogenic IIAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(SCc2cscn2)cc1 ZINC000032905413 556548507 /nfs/dbraw/zinc/54/85/07/556548507.db2.gz VGNSSUIIOOSUKE-UHFFFAOYSA-N 1 1 439.606 4.198 50 0 IIAAMO C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305179 556550246 /nfs/dbraw/zinc/55/02/46/556550246.db2.gz YDMYYTCXQLLBAC-HSZRJFAPSA-N 1 1 438.572 4.089 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1OC ZINC000015890206 556561653 /nfs/dbraw/zinc/56/16/53/556561653.db2.gz UEYITJHDTAPIIQ-DEOSSOPVSA-N 1 1 436.596 4.397 50 0 IIAAMO C[C@@H]1C[N@@H+](C2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000015962416 556569751 /nfs/dbraw/zinc/56/97/51/556569751.db2.gz TVKCFCZANTZCSU-OYRHEFFESA-N 1 1 446.595 4.323 50 0 IIAAMO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000016044066 556578621 /nfs/dbraw/zinc/57/86/21/556578621.db2.gz UTYSQDNUTFAYOB-DENIHFKCSA-N 1 1 434.374 4.345 50 0 IIAAMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034867718 556584674 /nfs/dbraw/zinc/58/46/74/556584674.db2.gz KELYDPDZFFHFEC-HOTGVXAUSA-N 1 1 430.346 4.127 50 0 IIAAMO O=C(C[C@H]1OC(=O)c2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032975590 556600182 /nfs/dbraw/zinc/60/01/82/556600182.db2.gz UAXFVBAFDVDKDG-XMMPIXPASA-N 1 1 426.516 4.222 50 0 IIAAMO CC[C@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C)cc1 ZINC000016422306 556606230 /nfs/dbraw/zinc/60/62/30/556606230.db2.gz GQFZKZNCFGGGFW-FQEVSTJZSA-N 1 1 434.506 4.188 50 0 IIAAMO CC[C@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C)cc1 ZINC000016422306 556606234 /nfs/dbraw/zinc/60/62/34/556606234.db2.gz GQFZKZNCFGGGFW-FQEVSTJZSA-N 1 1 434.506 4.188 50 0 IIAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018180814 556685854 /nfs/dbraw/zinc/68/58/54/556685854.db2.gz KLMLSJGHXCBOAO-SFHVURJKSA-N 1 1 425.941 4.461 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@@H](c3nncn3C)C2)cc1 ZINC000019227014 556716922 /nfs/dbraw/zinc/71/69/22/556716922.db2.gz MXNKUQZYWCAANX-LJQANCHMSA-N 1 1 446.530 4.195 50 0 IIAAMO CC(=O)c1c(C)n(Cc2ccccc2)c(=S)nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055010010 556732409 /nfs/dbraw/zinc/73/24/09/556732409.db2.gz GVZMIWSPUPJHFD-UHFFFAOYSA-N 1 1 432.593 4.494 50 0 IIAAMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCN(C)CC1)c1ccccc1S2 ZINC000019363126 556745733 /nfs/dbraw/zinc/74/57/33/556745733.db2.gz ONORYECFZPCHNK-UHFFFAOYSA-N 1 1 440.569 4.022 50 0 IIAAMO Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368402 556748816 /nfs/dbraw/zinc/74/88/16/556748816.db2.gz UBEBWXBGIMCBDR-KDURUIRLSA-N 1 1 431.024 4.214 50 0 IIAAMO COc1cc2c3c(c1)C(C[NH+]1CCC(Cc4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000334160684 556836735 /nfs/dbraw/zinc/83/67/35/556836735.db2.gz JVHWAEXRKPIMDK-UHFFFAOYSA-N 1 1 430.548 4.355 50 0 IIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)Cc1cccs1 ZINC000033071075 556851471 /nfs/dbraw/zinc/85/14/71/556851471.db2.gz HUMQFLCFRVQWKL-GOSISDBHSA-N 1 1 439.629 4.258 50 0 IIAAMO CC[N@@H+]1CCC[C@@H]1CNc1c2ccc(F)cc2ncc1S(=O)(=O)c1cccc(F)c1 ZINC000071775297 556888028 /nfs/dbraw/zinc/88/80/28/556888028.db2.gz YJAAECHJOYHLAF-QGZVFWFLSA-N 1 1 431.508 4.242 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNc1c2ccc(F)cc2ncc1S(=O)(=O)c1cccc(F)c1 ZINC000071775297 556888029 /nfs/dbraw/zinc/88/80/29/556888029.db2.gz YJAAECHJOYHLAF-QGZVFWFLSA-N 1 1 431.508 4.242 50 0 IIAAMO CC(=O)c1cccc(CN(Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000019791484 556915173 /nfs/dbraw/zinc/91/51/73/556915173.db2.gz MKKCACZXKOLTJL-UHFFFAOYSA-N 1 1 434.628 4.093 50 0 IIAAMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000019811704 556919160 /nfs/dbraw/zinc/91/91/60/556919160.db2.gz OWOAYLYUJWRNBK-UHFFFAOYSA-N 1 1 425.576 4.203 50 0 IIAAMO Cc1nn(-c2ccccc2)nc1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019835185 556928115 /nfs/dbraw/zinc/92/81/15/556928115.db2.gz UXZAZMVIEXKNSF-UHFFFAOYSA-N 1 1 435.531 4.104 50 0 IIAAMO CCCCN(C)C(=O)c1nc2ccccn2c1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019840379 556929396 /nfs/dbraw/zinc/92/93/96/556929396.db2.gz XPIXSFQACFOKPN-JLHYYAGUSA-N 1 1 445.611 4.037 50 0 IIAAMO COCCOc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020227760 557001066 /nfs/dbraw/zinc/00/10/66/557001066.db2.gz MQIZJAYPLMTMJL-UHFFFAOYSA-N 1 1 430.548 4.259 50 0 IIAAMO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(OC)c1 ZINC000023115552 557005903 /nfs/dbraw/zinc/00/59/03/557005903.db2.gz DONSRRFQVGCESP-FNEOHHHZSA-N 1 1 430.976 4.252 50 0 IIAAMO CCCN(C(=O)c1ccccc1Br)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000097002008 557014056 /nfs/dbraw/zinc/01/40/56/557014056.db2.gz SCFKCNDKTYTSKD-UHFFFAOYSA-N 1 1 431.378 4.377 50 0 IIAAMO Cc1nc(-c2ccccc2Cl)sc1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000020426540 557015538 /nfs/dbraw/zinc/01/55/38/557015538.db2.gz LTJNQJGJLKDWOZ-UHFFFAOYSA-N 1 1 447.048 4.452 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000023055440 557060853 /nfs/dbraw/zinc/06/08/53/557060853.db2.gz RWJHZONSCHATCA-RUZDIDTESA-N 1 1 437.584 4.083 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3sc(N(C)C)nc3Cl)C2)cc1 ZINC000023339803 557085653 /nfs/dbraw/zinc/08/56/53/557085653.db2.gz KCGOWRRVLRKRQM-SFHVURJKSA-N 1 1 437.053 4.258 50 0 IIAAMO CC[N@H+]1CCc2ncnc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2C1 ZINC000049401003 557097068 /nfs/dbraw/zinc/09/70/68/557097068.db2.gz ZESFLGZZXUQMNZ-UHFFFAOYSA-N 1 1 430.883 4.258 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cc(=O)n3cc(C)ccc3n1)CC2 ZINC000023873058 557121562 /nfs/dbraw/zinc/12/15/62/557121562.db2.gz KMHUVUBLVSYHTD-MHZLTWQESA-N 1 1 441.531 4.168 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cc(=O)n3cc(C)ccc3n1)CC2 ZINC000023873058 557121564 /nfs/dbraw/zinc/12/15/64/557121564.db2.gz KMHUVUBLVSYHTD-MHZLTWQESA-N 1 1 441.531 4.168 50 0 IIAAMO COc1ccc([C@@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)[NH+]2CCCC2)cc1 ZINC000023994208 557130459 /nfs/dbraw/zinc/13/04/59/557130459.db2.gz LXVIOKKPYJIXEV-GOSISDBHSA-N 1 1 429.369 4.117 50 0 IIAAMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000025361093 557205995 /nfs/dbraw/zinc/20/59/95/557205995.db2.gz FIZSKKCCVYXKMZ-JOCHJYFZSA-N 1 1 435.499 4.149 50 0 IIAAMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000025361093 557205997 /nfs/dbraw/zinc/20/59/97/557205997.db2.gz FIZSKKCCVYXKMZ-JOCHJYFZSA-N 1 1 435.499 4.149 50 0 IIAAMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000025361099 557206024 /nfs/dbraw/zinc/20/60/24/557206024.db2.gz FIZSKKCCVYXKMZ-QFIPXVFZSA-N 1 1 435.499 4.149 50 0 IIAAMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000025361099 557206025 /nfs/dbraw/zinc/20/60/25/557206025.db2.gz FIZSKKCCVYXKMZ-QFIPXVFZSA-N 1 1 435.499 4.149 50 0 IIAAMO Nc1nc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)nc2sc3c(c21)CCCCC3 ZINC000027367976 557261182 /nfs/dbraw/zinc/26/11/82/557261182.db2.gz CSSUVUXRRGGBEY-UHFFFAOYSA-N 1 1 449.624 4.071 50 0 IIAAMO COc1ccc(OC)c(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000220964596 557312801 /nfs/dbraw/zinc/31/28/01/557312801.db2.gz IOUHNUVFPGCLNF-UHFFFAOYSA-N 1 1 430.548 4.294 50 0 IIAAMO Cn1ccnc1[C@@H]1CCCCN1C(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104432678 557326798 /nfs/dbraw/zinc/32/67/98/557326798.db2.gz YODDBIWSIATSSP-UKILVPOCSA-N 1 1 444.579 4.500 50 0 IIAAMO COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N4CC[NH+](CC(C)C)CC4)cc3)n[nH]c1-2 ZINC000023336862 557349147 /nfs/dbraw/zinc/34/91/47/557349147.db2.gz OMEJDBLMIZVJBJ-UHFFFAOYSA-N 1 1 444.579 4.265 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000103708796 557440874 /nfs/dbraw/zinc/44/08/74/557440874.db2.gz YVKDZHZNDVCQAL-ZWKOTPCHSA-N 1 1 440.613 4.251 50 0 IIAAMO O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000104915053 557464760 /nfs/dbraw/zinc/46/47/60/557464760.db2.gz SMPKGLFKYJDAAJ-VPUSJEBWSA-N 1 1 443.566 4.048 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2)C1 ZINC000105010185 557471963 /nfs/dbraw/zinc/47/19/63/557471963.db2.gz CWHIBUSIEMDKFP-RCZVLFRGSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2)C1 ZINC000105010185 557471965 /nfs/dbraw/zinc/47/19/65/557471965.db2.gz CWHIBUSIEMDKFP-RCZVLFRGSA-N 1 1 447.579 4.256 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105018886 557473089 /nfs/dbraw/zinc/47/30/89/557473089.db2.gz WYISCOCJHXSOHA-ILBGXUMGSA-N 1 1 426.576 4.481 50 0 IIAAMO Cc1ccc(/C=C2/C(=O)N3c4ccccc4[C@@]45CC[N@@H+]6CC7=CCO[C@@H]2[C@@H]([C@@H]34)[C@H]7C[C@H]65)cc1 ZINC000245226051 557849546 /nfs/dbraw/zinc/84/95/46/557849546.db2.gz GFIRKZRNWVSINQ-VDSQZRBCSA-N 1 1 436.555 4.094 50 0 IIAAMO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000002262298 562926629 /nfs/dbraw/zinc/92/66/29/562926629.db2.gz UIRMQYLIOLIYRX-CYBMUJFWSA-N 1 1 436.350 4.168 50 0 IIAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1C(F)(F)F ZINC000058021478 563143285 /nfs/dbraw/zinc/14/32/85/563143285.db2.gz OQFWQLDZWGXMGZ-UHFFFAOYSA-N 1 1 426.870 4.303 50 0 IIAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982844 568623116 /nfs/dbraw/zinc/62/31/16/568623116.db2.gz GSEQSROAANZUGX-CLJLJLNGSA-N 1 1 448.538 4.399 50 0 IIAAMO COc1ccc(CNc2nc(C)c(-c3ccn(C[C@@H]4CCC[N@@H+](C)C4)n3)s2)cc1OC ZINC000299786624 568757509 /nfs/dbraw/zinc/75/75/09/568757509.db2.gz WYGJDWSWRHBRPG-GOSISDBHSA-N 1 1 441.601 4.286 50 0 IIAAMO CCCCS[C@@H]1CCCC[C@@H]1OC(=O)CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586685 568759505 /nfs/dbraw/zinc/75/95/05/568759505.db2.gz WXRHXRQJLTZHBC-YUVXSKOASA-N 1 1 432.630 4.045 50 0 biogenic IIAAMO CN(C)c1[nH+]cc(CNC(=O)CC2(CC(=O)c3ccc(Cl)s3)CCCCC2)n1C ZINC000084303902 568796938 /nfs/dbraw/zinc/79/69/38/568796938.db2.gz PUNJIWCALHRJNZ-UHFFFAOYSA-N 1 1 437.009 4.431 50 0 IIAAMO O=C(CCCNC(=O)c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012981740 568894512 /nfs/dbraw/zinc/89/45/12/568894512.db2.gz GJSPVGCNNICADB-UHFFFAOYSA-N 1 1 447.604 4.192 50 0 IIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1C ZINC000245309747 568914398 /nfs/dbraw/zinc/91/43/98/568914398.db2.gz FYLCRYPUYAAHSU-GSPCLOLRSA-N 1 1 428.532 4.434 50 0 IIAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000245312353 568914783 /nfs/dbraw/zinc/91/47/83/568914783.db2.gz URXXWCUIYWGBRM-GKBBYZSKSA-N 1 1 436.552 4.339 50 0 IIAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000245312353 568914786 /nfs/dbraw/zinc/91/47/86/568914786.db2.gz URXXWCUIYWGBRM-GKBBYZSKSA-N 1 1 436.552 4.339 50 0 IIAAMO O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064663385 568943721 /nfs/dbraw/zinc/94/37/21/568943721.db2.gz CKOSFBBDBUYCSP-RUZDIDTESA-N 1 1 441.575 4.189 50 0 IIAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)c1OC ZINC000036103768 568953029 /nfs/dbraw/zinc/95/30/29/568953029.db2.gz DIULGXIURFDXRP-NRFANRHFSA-N 1 1 429.488 4.016 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)c1OC ZINC000036103768 568953032 /nfs/dbraw/zinc/95/30/32/568953032.db2.gz DIULGXIURFDXRP-NRFANRHFSA-N 1 1 429.488 4.016 50 0 IIAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2)cc(C)[nH+]1 ZINC000064801753 568961499 /nfs/dbraw/zinc/96/14/99/568961499.db2.gz PFVLLRWOFNNZOY-UHFFFAOYSA-N 1 1 427.530 4.078 50 0 IIAAMO COc1ccc(C)cc1NC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1 ZINC000064801593 568961540 /nfs/dbraw/zinc/96/15/40/568961540.db2.gz ABBAXEXJFRHYOX-UHFFFAOYSA-N 1 1 448.527 4.326 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146956 568962778 /nfs/dbraw/zinc/96/27/78/568962778.db2.gz HUUSDDMAXNKQPA-JYFHCDHNSA-N 1 1 446.547 4.130 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC ZINC000036304573 568994750 /nfs/dbraw/zinc/99/47/50/568994750.db2.gz OPECBSGEDFWDRE-OAQYLSRUSA-N 1 1 439.556 4.201 50 0 IIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC ZINC000036305928 568995363 /nfs/dbraw/zinc/99/53/63/568995363.db2.gz CDZBERIAPSHAJH-HXUWFJFHSA-N 1 1 439.556 4.107 50 0 IIAAMO COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306137 568995422 /nfs/dbraw/zinc/99/54/22/568995422.db2.gz OUZHEOWKUNCFLL-FQEVSTJZSA-N 1 1 439.556 4.106 50 0 IIAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036341720 569078944 /nfs/dbraw/zinc/07/89/44/569078944.db2.gz MHDMJJGTMVSHEN-QFIPXVFZSA-N 1 1 425.504 4.007 50 0 IIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036342093 569079610 /nfs/dbraw/zinc/07/96/10/569079610.db2.gz HGHNGLNLWXALNI-QFIPXVFZSA-N 1 1 439.531 4.474 50 0 IIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036342093 569079611 /nfs/dbraw/zinc/07/96/11/569079611.db2.gz HGHNGLNLWXALNI-QFIPXVFZSA-N 1 1 439.531 4.474 50 0 IIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346368 569081115 /nfs/dbraw/zinc/08/11/15/569081115.db2.gz PHCOKKZFZOZWSK-JOCHJYFZSA-N 1 1 439.531 4.474 50 0 IIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346368 569081117 /nfs/dbraw/zinc/08/11/17/569081117.db2.gz PHCOKKZFZOZWSK-JOCHJYFZSA-N 1 1 439.531 4.474 50 0 IIAAMO COc1ccc(-c2nc(-c3ccc(C(=O)NCC[N@@H+](C)C4CCCCC4)s3)no2)cc1 ZINC000065062903 569097260 /nfs/dbraw/zinc/09/72/60/569097260.db2.gz PDRQOGUTULTRPC-UHFFFAOYSA-N 1 1 440.569 4.468 50 0 IIAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@H+]1CCCC(C)(C)C1 ZINC000002309842 569272120 /nfs/dbraw/zinc/27/21/20/569272120.db2.gz SMACRVBEYMLSPN-GFCCVEGCSA-N 1 1 436.350 4.166 50 0 IIAAMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H]([NH2+]C1CCN(C3CC3)CC1)c1ccccc1O2 ZINC000095455513 569368546 /nfs/dbraw/zinc/36/85/46/569368546.db2.gz ODSHSRYFLRJJFN-OFVILXPXSA-N 1 1 427.589 4.106 50 0 IIAAMO Fc1ccccc1-c1ccc(C[NH+]2CCN([C@@H]3CCN(CC(F)(F)F)C3)CC2)s1 ZINC000095457032 569368926 /nfs/dbraw/zinc/36/89/26/569368926.db2.gz ZKEHXZYESXMKOY-MRXNPFEDSA-N 1 1 427.511 4.308 50 0 IIAAMO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000096300319 569392067 /nfs/dbraw/zinc/39/20/67/569392067.db2.gz OAFCMBTWSKINQK-IAPPQJPRSA-N 1 1 436.559 4.343 50 0 biogenic IIAAMO COc1ccc(Br)c(C(=O)N2CCC([N@H+]3CCc4sccc4C3)CC2)c1 ZINC000225688926 569407079 /nfs/dbraw/zinc/40/70/79/569407079.db2.gz HLSDDAPRPTWMQN-UHFFFAOYSA-N 1 1 435.387 4.182 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000057135530 569429777 /nfs/dbraw/zinc/42/97/77/569429777.db2.gz IYOIQEOMOWHIPZ-PGKMIFDNSA-N 1 1 446.334 4.272 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000057135530 569429779 /nfs/dbraw/zinc/42/97/79/569429779.db2.gz IYOIQEOMOWHIPZ-PGKMIFDNSA-N 1 1 446.334 4.272 50 0 IIAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c(OC)c1 ZINC000057256220 569430102 /nfs/dbraw/zinc/43/01/02/569430102.db2.gz HOMLLWMAIIPJLX-UHFFFAOYSA-N 1 1 449.526 4.417 50 0 IIAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000003048405 569438848 /nfs/dbraw/zinc/43/88/48/569438848.db2.gz GTPLVJBRTJEFTJ-RUZDIDTESA-N 1 1 433.596 4.463 50 0 IIAAMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)cc1C ZINC000057997126 569444381 /nfs/dbraw/zinc/44/43/81/569444381.db2.gz BPXQWDFFCMMNMR-FQEVSTJZSA-N 1 1 443.613 4.099 50 0 IIAAMO C[NH+]1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546504 569463588 /nfs/dbraw/zinc/46/35/88/569463588.db2.gz MASUISPGTIMYJV-QFIPXVFZSA-N 1 1 436.581 4.204 50 0 IIAAMO COc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000038546400 569463616 /nfs/dbraw/zinc/46/36/16/569463616.db2.gz UOFNUEQFDYWTKY-OAQYLSRUSA-N 1 1 425.554 4.247 50 0 IIAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3cccn3-c3ccc(C)cc3)[NH+](C)C)cc(=O)c2c1 ZINC000008717990 569471206 /nfs/dbraw/zinc/47/12/06/569471206.db2.gz LKKBSHUAVFVWBL-QHCPKHFHSA-N 1 1 443.547 4.487 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000008779851 569475615 /nfs/dbraw/zinc/47/56/15/569475615.db2.gz UINNNTLHPPEZKB-UHFFFAOYSA-N 1 1 440.632 4.120 50 0 IIAAMO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1Cl ZINC000008901667 569484350 /nfs/dbraw/zinc/48/43/50/569484350.db2.gz YTJWKRNHPQKVKX-GOSISDBHSA-N 1 1 429.007 4.306 50 0 IIAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008939563 569488315 /nfs/dbraw/zinc/48/83/15/569488315.db2.gz HWAHFMOOZCAWFA-IRXDYDNUSA-N 1 1 434.565 4.240 50 0 IIAAMO CC(=O)Nc1ccc(SCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000040107116 569488421 /nfs/dbraw/zinc/48/84/21/569488421.db2.gz BAXBCPFPFJKNCB-SFHVURJKSA-N 1 1 425.598 4.285 50 0 IIAAMO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Br)c1OC ZINC000040156914 569494176 /nfs/dbraw/zinc/49/41/76/569494176.db2.gz YEYRMMNEHKGXEJ-INIZCTEOSA-N 1 1 433.346 4.317 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Br)c1OC ZINC000040156914 569494177 /nfs/dbraw/zinc/49/41/77/569494177.db2.gz YEYRMMNEHKGXEJ-INIZCTEOSA-N 1 1 433.346 4.317 50 0 IIAAMO C[NH+]1CCN(CCc2ccc(NC(=O)COc3ccc(Oc4ccccc4)cc3)cc2)CC1 ZINC000040157065 569494260 /nfs/dbraw/zinc/49/42/60/569494260.db2.gz PNDJCMILYZMNGR-UHFFFAOYSA-N 1 1 445.563 4.286 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1c2cc(C)cc1C ZINC000009042178 569497722 /nfs/dbraw/zinc/49/77/22/569497722.db2.gz VPBLXOLTDCARML-SDWUMEBZSA-N 1 1 439.943 4.236 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000009256044 569516688 /nfs/dbraw/zinc/51/66/88/569516688.db2.gz BBOPKEPDFVNTBW-GOSISDBHSA-N 1 1 447.373 4.251 50 0 IIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000009256045 569516704 /nfs/dbraw/zinc/51/67/04/569516704.db2.gz BBOPKEPDFVNTBW-SFHVURJKSA-N 1 1 447.373 4.251 50 0 IIAAMO Cc1cc(-c2ccc(C)c(S(=O)(=O)NC[C@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)c2)on1 ZINC000009268709 569517584 /nfs/dbraw/zinc/51/75/84/569517584.db2.gz JFLMKKDMTVUKML-OAQYLSRUSA-N 1 1 439.581 4.067 50 0 IIAAMO CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000009432376 569534368 /nfs/dbraw/zinc/53/43/68/569534368.db2.gz VRVVRZMLMVKKCY-RPWUZVMVSA-N 1 1 447.604 4.297 50 0 IIAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nn2)CC1 ZINC000010186610 132243196 /nfs/dbraw/zinc/24/31/96/132243196.db2.gz OLQNNSIOMHPYKR-UHFFFAOYSA-N 1 1 442.350 4.455 50 0 IIAAMO COc1ccc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1OC ZINC000009949096 132332553 /nfs/dbraw/zinc/33/25/53/132332553.db2.gz BYLQPOXPDLSEDT-UHFFFAOYSA-N 1 1 441.535 4.031 50 0 IIAAMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCN(c2ccccc2F)CC1 ZINC000013940555 132355395 /nfs/dbraw/zinc/35/53/95/132355395.db2.gz KJUXOUALXMYGMO-UHFFFAOYSA-N 1 1 433.930 4.179 50 0 IIAAMO CC(C)CNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035907813 519741148 /nfs/dbraw/zinc/74/11/48/519741148.db2.gz LPXDQHXXBPITLN-JTHBVZDNSA-N 1 1 445.529 4.341 50 0 IIAAMO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012790098 519798483 /nfs/dbraw/zinc/79/84/83/519798483.db2.gz JIQLBFJVNAZTSG-VQTJNVASSA-N 1 1 436.383 4.167 50 0 IIAAMO CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012457868 519826532 /nfs/dbraw/zinc/82/65/32/519826532.db2.gz VZDAFRMMKGPBRO-HHHXNRCGSA-N 1 1 449.639 4.185 50 0 IIAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560316 520512780 /nfs/dbraw/zinc/51/27/80/520512780.db2.gz CFYSQFVGGMADQS-ZJSXRUAMSA-N 1 1 433.552 4.046 50 0 IIAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000012710423 521181068 /nfs/dbraw/zinc/18/10/68/521181068.db2.gz FVRFZYFTVPNYCY-RUZDIDTESA-N 1 1 427.589 4.477 50 0 IIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3nn(C)c4c3CSc3ccccc3-4)cc2)CC1 ZINC000020485277 521688900 /nfs/dbraw/zinc/68/89/00/521688900.db2.gz DTFMXHIEGWSETQ-UHFFFAOYSA-N 1 1 447.608 4.083 50 0 IIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3sc(COc4ccc(F)cc4)nc3C)sc2C1 ZINC000021296991 521725002 /nfs/dbraw/zinc/72/50/02/521725002.db2.gz LZUUWQTVMAKHGB-UHFFFAOYSA-N 1 1 432.546 4.256 50 0 IIAAMO CC[N@H+]1CCc2nc(NC(=O)c3sc(COc4ccc(F)cc4)nc3C)sc2C1 ZINC000021296991 521725003 /nfs/dbraw/zinc/72/50/03/521725003.db2.gz LZUUWQTVMAKHGB-UHFFFAOYSA-N 1 1 432.546 4.256 50 0 IIAAMO CC[C@@H](NC(=O)NC(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000036048487 522720322 /nfs/dbraw/zinc/72/03/22/522720322.db2.gz LBBNJWNVAZKHAZ-QPPBQGQZSA-N 1 1 443.563 4.429 50 0 IIAAMO CC[C@@H](NC(=O)NC(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000036048487 522720328 /nfs/dbraw/zinc/72/03/28/522720328.db2.gz LBBNJWNVAZKHAZ-QPPBQGQZSA-N 1 1 443.563 4.429 50 0 IIAAMO C[N@@H+](CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C1CCCCC1 ZINC000020985648 522860759 /nfs/dbraw/zinc/86/07/59/522860759.db2.gz OZVOXBRHOORPDB-UHFFFAOYSA-N 1 1 427.614 4.246 50 0 IIAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH]c2ccccc12 ZINC000012458838 523730985 /nfs/dbraw/zinc/73/09/85/523730985.db2.gz ROCCWSGQDNAVKZ-OAQYLSRUSA-N 1 1 445.607 4.065 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3nccn3-c3ccc(OC)cc3)C2)cc1 ZINC000012305549 523949250 /nfs/dbraw/zinc/94/92/50/523949250.db2.gz MSXOGDVODIPYEA-QHCPKHFHSA-N 1 1 448.611 4.276 50 0 IIAAMO CCc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022908196 523968314 /nfs/dbraw/zinc/96/83/14/523968314.db2.gz XGZSMWKCUSZKPX-JOCHJYFZSA-N 1 1 433.577 4.165 50 0 IIAAMO CCc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022908196 523968320 /nfs/dbraw/zinc/96/83/20/523968320.db2.gz XGZSMWKCUSZKPX-JOCHJYFZSA-N 1 1 433.577 4.165 50 0 IIAAMO COc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1O ZINC000020450260 524029255 /nfs/dbraw/zinc/02/92/55/524029255.db2.gz HPRRPGXHKUZGAD-NRFANRHFSA-N 1 1 449.517 4.206 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1O ZINC000020450260 524029257 /nfs/dbraw/zinc/02/92/57/524029257.db2.gz HPRRPGXHKUZGAD-NRFANRHFSA-N 1 1 449.517 4.206 50 0 IIAAMO COc1cccc2c1OCC(C[N@H+]1CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C1)=C2 ZINC000012764395 524233618 /nfs/dbraw/zinc/23/36/18/524233618.db2.gz LMEIHWVCYYNHBX-NRFANRHFSA-N 1 1 444.535 4.007 50 0 IIAAMO COc1cccc2c1OCC(C[N@@H+]1CCC[C@H](N3CCN(c4ccccc4C)CC3)C1)=C2 ZINC000020472669 524234421 /nfs/dbraw/zinc/23/44/21/524234421.db2.gz HTDYHDOZAPDHPG-DEOSSOPVSA-N 1 1 433.596 4.066 50 0 IIAAMO COc1cccc2c1OCC(C[N@H+]1CCC[C@H](N3CCN(c4ccccc4C)CC3)C1)=C2 ZINC000020472669 524234430 /nfs/dbraw/zinc/23/44/30/524234430.db2.gz HTDYHDOZAPDHPG-DEOSSOPVSA-N 1 1 433.596 4.066 50 0 IIAAMO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908212 524267578 /nfs/dbraw/zinc/26/75/78/524267578.db2.gz YEMNXJKMIBWARF-OAQYLSRUSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908212 524267590 /nfs/dbraw/zinc/26/75/90/524267590.db2.gz YEMNXJKMIBWARF-OAQYLSRUSA-N 1 1 433.577 4.219 50 0 IIAAMO COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OC[C@H]3CCCC[N@H+]3C)c2n1 ZINC000021788924 524268550 /nfs/dbraw/zinc/26/85/50/524268550.db2.gz WRINCUGMWHQOFV-CQSZACIVSA-N 1 1 448.445 4.065 50 0 IIAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cn1 ZINC000012759705 524303421 /nfs/dbraw/zinc/30/34/21/524303421.db2.gz ZCDNLBXMJAWGQF-DEOSSOPVSA-N 1 1 425.960 4.352 50 0 IIAAMO Cc1cccc(C[NH+]2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[nH]3)CC2)c1 ZINC000022915054 524398985 /nfs/dbraw/zinc/39/89/85/524398985.db2.gz WMRXWPFFXBSFNR-UHFFFAOYSA-N 1 1 430.577 4.278 50 0 IIAAMO COc1ccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1 ZINC000021795314 524549747 /nfs/dbraw/zinc/54/97/47/524549747.db2.gz AVQUWUFXKRSJIX-UHFFFAOYSA-N 1 1 432.528 4.200 50 0 IIAAMO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1C ZINC000022908210 524576655 /nfs/dbraw/zinc/57/66/55/524576655.db2.gz LESIRZOGDFZRCC-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1C ZINC000022908210 524576665 /nfs/dbraw/zinc/57/66/65/524576665.db2.gz LESIRZOGDFZRCC-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000021857857 524625297 /nfs/dbraw/zinc/62/52/97/524625297.db2.gz NOAQCCGQBISMRU-JOCHJYFZSA-N 1 1 432.524 4.062 50 0 IIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000021857857 524625305 /nfs/dbraw/zinc/62/53/05/524625305.db2.gz NOAQCCGQBISMRU-JOCHJYFZSA-N 1 1 432.524 4.062 50 0 IIAAMO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[NH+](C)C ZINC000021805271 524732368 /nfs/dbraw/zinc/73/23/68/524732368.db2.gz KUQROEDEKADUNG-GOSISDBHSA-N 1 1 444.329 4.145 50 0 IIAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000022295226 524886052 /nfs/dbraw/zinc/88/60/52/524886052.db2.gz DLSOYNIVDJYXRY-IRXDYDNUSA-N 1 1 442.629 4.287 50 0 IIAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)c(Br)c1 ZINC000012734374 525191344 /nfs/dbraw/zinc/19/13/44/525191344.db2.gz VLKMFCFXASREBB-QGZVFWFLSA-N 1 1 446.389 4.053 50 0 IIAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)c(Br)c1 ZINC000012734374 525191353 /nfs/dbraw/zinc/19/13/53/525191353.db2.gz VLKMFCFXASREBB-QGZVFWFLSA-N 1 1 446.389 4.053 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000012598778 525242342 /nfs/dbraw/zinc/24/23/42/525242342.db2.gz ALCLWRIVYOZOHR-NRFANRHFSA-N 1 1 439.947 4.485 50 0 IIAAMO COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000012785631 525730236 /nfs/dbraw/zinc/73/02/36/525730236.db2.gz GGBNZQFRHUNUML-QFIPXVFZSA-N 1 1 448.498 4.313 50 0 IIAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2)c1OC ZINC000036031671 525923882 /nfs/dbraw/zinc/92/38/82/525923882.db2.gz WBUACYQPQXJBEX-JOCHJYFZSA-N 1 1 425.500 4.285 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2)c1OC ZINC000036031671 525923891 /nfs/dbraw/zinc/92/38/91/525923891.db2.gz WBUACYQPQXJBEX-JOCHJYFZSA-N 1 1 425.500 4.285 50 0 IIAAMO Cc1coc2cc3oc(=O)c(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)c(C)c3cc12 ZINC000020592344 526291279 /nfs/dbraw/zinc/29/12/79/526291279.db2.gz IPDHASJLSGARKG-UHFFFAOYSA-N 1 1 430.504 4.043 50 0 IIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1)NCc1ccccc1Cl ZINC000012372935 526570359 /nfs/dbraw/zinc/57/03/59/526570359.db2.gz BFVYXCFFXCZCCD-LJQANCHMSA-N 1 1 430.976 4.020 50 0 IIAAMO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)c12 ZINC000022888427 526677519 /nfs/dbraw/zinc/67/75/19/526677519.db2.gz FOKYFCCMJSSJKS-UHFFFAOYSA-N 1 1 426.520 4.465 50 0 IIAAMO O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000012470516 526741669 /nfs/dbraw/zinc/74/16/69/526741669.db2.gz FQCONGPSFPUYHG-QHCPKHFHSA-N 1 1 447.579 4.064 50 0 IIAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000021795183 526963991 /nfs/dbraw/zinc/96/39/91/526963991.db2.gz CEPBKLOHQOQPPE-UHFFFAOYSA-N 1 1 448.493 4.148 50 0 IIAAMO O=C1N(C[N@H+](CCc2ccccc2)Cc2ccccc2)c2ccccc2C12OCCCO2 ZINC000020681489 527038074 /nfs/dbraw/zinc/03/80/74/527038074.db2.gz CAGHBABGYSAISZ-UHFFFAOYSA-N 1 1 428.532 4.325 50 0 IIAAMO O=C1N(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c2ccccc2C12OCCCO2 ZINC000020681489 527038077 /nfs/dbraw/zinc/03/80/77/527038077.db2.gz CAGHBABGYSAISZ-UHFFFAOYSA-N 1 1 428.532 4.325 50 0 IIAAMO O=c1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2cc3c(cc2o1)CCC3 ZINC000012854092 527477503 /nfs/dbraw/zinc/47/75/03/527477503.db2.gz OIRVSXVFBCNSMT-UHFFFAOYSA-N 1 1 429.442 4.018 50 0 IIAAMO CCc1ccc2nc(N3CCC(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)CC3)sc2c1 ZINC000004757412 556009751 /nfs/dbraw/zinc/00/97/51/556009751.db2.gz CZLSUZSWHWEXDJ-GOSISDBHSA-N 1 1 428.646 4.313 50 0 IIAAMO COCCN(Cc1c(C)nn(C(C)C)c1C)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011662016 556343585 /nfs/dbraw/zinc/34/35/85/556343585.db2.gz QZJDIFANILZEQY-QHCPKHFHSA-N 1 1 438.660 4.409 50 0 IIAAMO O=C(CCc1ccc2c(c1)OCO2)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011815220 556358448 /nfs/dbraw/zinc/35/84/48/556358448.db2.gz MCJLZSPMMRRYEI-RUZDIDTESA-N 1 1 442.506 4.141 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000011816447 556359107 /nfs/dbraw/zinc/35/91/07/556359107.db2.gz XSVKSOGOARFPIU-XMMPIXPASA-N 1 1 435.612 4.032 50 0 IIAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000011817445 556360088 /nfs/dbraw/zinc/36/00/88/556360088.db2.gz MHQKFKXPZLTYQA-HXUWFJFHSA-N 1 1 433.552 4.009 50 0 IIAAMO COCCN(Cc1ccc(OC)c(OC)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011818839 556360416 /nfs/dbraw/zinc/36/04/16/556360416.db2.gz FRMNMIDBGBERQY-JOCHJYFZSA-N 1 1 438.612 4.032 50 0 IIAAMO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012053064 556393229 /nfs/dbraw/zinc/39/32/29/556393229.db2.gz GOGYDIJEXXDSLB-DEOSSOPVSA-N 1 1 425.479 4.364 50 0 IIAAMO O=C(c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000032809838 556394905 /nfs/dbraw/zinc/39/49/05/556394905.db2.gz JTRUAJUZNNDQEA-NRFANRHFSA-N 1 1 433.527 4.368 50 0 IIAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1Br ZINC000012973478 556419734 /nfs/dbraw/zinc/41/97/34/556419734.db2.gz QXKJPEGRHXYXQF-INIZCTEOSA-N 1 1 430.346 4.047 50 0 IIAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1Br ZINC000012973478 556419736 /nfs/dbraw/zinc/41/97/36/556419736.db2.gz QXKJPEGRHXYXQF-INIZCTEOSA-N 1 1 430.346 4.047 50 0 IIAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1 ZINC000032860419 556447618 /nfs/dbraw/zinc/44/76/18/556447618.db2.gz MNXXNUXAIKYHGZ-UHFFFAOYSA-N 1 1 438.959 4.191 50 0 IIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1 ZINC000032860419 556447623 /nfs/dbraw/zinc/44/76/23/556447623.db2.gz MNXXNUXAIKYHGZ-UHFFFAOYSA-N 1 1 438.959 4.191 50 0 IIAAMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028288224 556448129 /nfs/dbraw/zinc/44/81/29/556448129.db2.gz VRWNRFVLSNTMPA-HNNXBMFYSA-N 1 1 447.354 4.184 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288878 556448529 /nfs/dbraw/zinc/44/85/29/556448529.db2.gz ASRAPIBNPAQUBA-OAQYLSRUSA-N 1 1 434.536 4.375 50 0 IIAAMO COc1ccc(-c2ncc(C[N@H+]3CCC[C@H](CNC(=O)CCc4ccccc4)C3)cn2)cc1 ZINC000014963538 556465032 /nfs/dbraw/zinc/46/50/32/556465032.db2.gz HJXJVEFSRQOXEJ-JOCHJYFZSA-N 1 1 444.579 4.113 50 0 IIAAMO CCc1c(C(=O)NCc2cc3ccccc3s2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000014998261 556478798 /nfs/dbraw/zinc/47/87/98/556478798.db2.gz DJCXLBFQZLABSU-IBGZPJMESA-N 1 1 437.609 4.348 50 0 IIAAMO O=C(c1c[nH]c2ccccc21)[C@H](O)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000015017684 556486411 /nfs/dbraw/zinc/48/64/11/556486411.db2.gz JYSZSQQCXBFFHG-UKILVPOCSA-N 1 1 431.561 4.337 50 0 IIAAMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000030030295 556489937 /nfs/dbraw/zinc/48/99/37/556489937.db2.gz ZGAPJXJFOFZCSG-QHCPKHFHSA-N 1 1 446.547 4.412 50 0 IIAAMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000030030295 556489940 /nfs/dbraw/zinc/48/99/40/556489940.db2.gz ZGAPJXJFOFZCSG-QHCPKHFHSA-N 1 1 446.547 4.412 50 0 IIAAMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000072305226 556550476 /nfs/dbraw/zinc/55/04/76/556550476.db2.gz VGTHDNVHMOVQIF-FPOVZHCZSA-N 1 1 447.501 4.489 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1OC ZINC000015890204 556561592 /nfs/dbraw/zinc/56/15/92/556561592.db2.gz UEYITJHDTAPIIQ-XMMPIXPASA-N 1 1 436.596 4.397 50 0 IIAAMO C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016044521 556579017 /nfs/dbraw/zinc/57/90/17/556579017.db2.gz FCZVIXVQAWWCEB-JOCHJYFZSA-N 1 1 442.559 4.095 50 0 IIAAMO C[C@H](c1cccc2ccccc21)[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C1CC1 ZINC000032911850 556585069 /nfs/dbraw/zinc/58/50/69/556585069.db2.gz LAMCXNFHBXHXCR-MRXNPFEDSA-N 1 1 437.490 4.398 50 0 IIAAMO COc1ccc(/C=C/C(=O)NCCCN2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000005057761 556627991 /nfs/dbraw/zinc/62/79/91/556627991.db2.gz YDSMCGCCFXJMPY-CJSWHLHFSA-N 1 1 427.633 4.190 50 0 IIAAMO CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC(C)C ZINC000248229174 556676531 /nfs/dbraw/zinc/67/65/31/556676531.db2.gz KFBPRVOSTGVXRB-DENIHFKCSA-N 1 1 448.604 4.121 50 0 IIAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000018271354 556688774 /nfs/dbraw/zinc/68/87/74/556688774.db2.gz BPBAVGSPVIPOAU-GOSISDBHSA-N 1 1 427.863 4.132 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2C)c1 ZINC000036098479 556717487 /nfs/dbraw/zinc/71/74/87/556717487.db2.gz CCXGFHGTUIZCBT-JOCHJYFZSA-N 1 1 435.520 4.174 50 0 IIAAMO COc1ccccc1N1CC[NH+](C[C@H](C)N(C(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000059606980 556803138 /nfs/dbraw/zinc/80/31/38/556803138.db2.gz MDUDKPOIYPKKNF-NRFANRHFSA-N 1 1 436.600 4.214 50 0 IIAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc(F)cc4)CC3)c2C(=O)N1Cc1ccsc1 ZINC000064103336 556822664 /nfs/dbraw/zinc/82/26/64/556822664.db2.gz DBHRBWJAUKAGHM-UHFFFAOYSA-N 1 1 435.524 4.006 50 0 IIAAMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033068966 556836548 /nfs/dbraw/zinc/83/65/48/556836548.db2.gz NSVPLANAHLVXNQ-UHFFFAOYSA-N 1 1 427.570 4.064 50 0 IIAAMO CCC[N@@H+](Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)CC1CC1 ZINC000019741524 556883938 /nfs/dbraw/zinc/88/39/38/556883938.db2.gz RRPYPOCULUHHPB-UHFFFAOYSA-N 1 1 437.632 4.047 50 0 IIAAMO CCC[N@H+](Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)CC1CC1 ZINC000019741524 556883942 /nfs/dbraw/zinc/88/39/42/556883942.db2.gz RRPYPOCULUHHPB-UHFFFAOYSA-N 1 1 437.632 4.047 50 0 IIAAMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCc2cn3ccccc3n2)Cc2ccccc2C1 ZINC000019852109 556930960 /nfs/dbraw/zinc/93/09/60/556930960.db2.gz BXEGKNLOZZWSRE-UHFFFAOYSA-N 1 1 438.575 4.053 50 0 IIAAMO COc1ccc(CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000019890198 556939364 /nfs/dbraw/zinc/93/93/64/556939364.db2.gz MVWAIEMDFNJRSM-JOCHJYFZSA-N 1 1 426.944 4.325 50 0 IIAAMO O=C1CCCN1C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(C(F)(F)F)c1 ZINC000048236014 557047158 /nfs/dbraw/zinc/04/71/58/557047158.db2.gz QROXSTSTLJUMCA-LJQANCHMSA-N 1 1 434.458 4.320 50 0 IIAAMO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1OC ZINC000022931971 557050475 /nfs/dbraw/zinc/05/04/75/557050475.db2.gz AWABCANODNBDOJ-QGZVFWFLSA-N 1 1 439.581 4.063 50 0 IIAAMO CCC[N@H+]1CCc2nc(SCc3nc(-c4ccccc4OC)oc3C)[nH]c(=O)c2C1 ZINC000033287195 557064124 /nfs/dbraw/zinc/06/41/24/557064124.db2.gz NDJFUUJSANVZFV-UHFFFAOYSA-N 1 1 426.542 4.215 50 0 IIAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC[NH+]2CCOCC2)cc1 ZINC000023153888 557069892 /nfs/dbraw/zinc/06/98/92/557069892.db2.gz GJYLTCKAZZCKKA-UHFFFAOYSA-N 1 1 431.515 4.361 50 0 IIAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000023236660 557075970 /nfs/dbraw/zinc/07/59/70/557075970.db2.gz GLJJFVDTIHGHRG-UHFFFAOYSA-N 1 1 446.551 4.169 50 0 IIAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1)c1cccc(C(F)(F)F)c1 ZINC000023310323 557083532 /nfs/dbraw/zinc/08/35/32/557083532.db2.gz HOMDMBXAVGQCMQ-INIZCTEOSA-N 1 1 444.457 4.397 50 0 IIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1)c1cccc(C(F)(F)F)c1 ZINC000023310323 557083533 /nfs/dbraw/zinc/08/35/33/557083533.db2.gz HOMDMBXAVGQCMQ-INIZCTEOSA-N 1 1 444.457 4.397 50 0 IIAAMO O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)NCc1ccccc1Cl ZINC000049377803 557095003 /nfs/dbraw/zinc/09/50/03/557095003.db2.gz RDQFGJITSYVMEQ-UHFFFAOYSA-N 1 1 428.895 4.025 50 0 IIAAMO O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000017590150 557099069 /nfs/dbraw/zinc/09/90/69/557099069.db2.gz OPWQEEKRPKLERV-UHFFFAOYSA-N 1 1 445.485 4.180 50 0 IIAAMO C[N@@H+](CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)[C@H]1CCCc2ccccc21 ZINC000049590357 557116944 /nfs/dbraw/zinc/11/69/44/557116944.db2.gz YITFHQNOVPYXSY-DEOSSOPVSA-N 1 1 431.536 4.256 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cc(=O)n3c(C)cccc3n1)CC2 ZINC000023873094 557122041 /nfs/dbraw/zinc/12/20/41/557122041.db2.gz STCXXLNCEGRSKB-MHZLTWQESA-N 1 1 441.531 4.168 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cc(=O)n3c(C)cccc3n1)CC2 ZINC000023873094 557122044 /nfs/dbraw/zinc/12/20/44/557122044.db2.gz STCXXLNCEGRSKB-MHZLTWQESA-N 1 1 441.531 4.168 50 0 IIAAMO COc1ccc2cc([C@]3(C)NC(=O)N(C[N@@H+]4CCC[C@@H]4c4cccs4)C3=O)ccc2c1 ZINC000023935740 557126563 /nfs/dbraw/zinc/12/65/63/557126563.db2.gz NGIVPLBWISRNAL-YKSBVNFPSA-N 1 1 435.549 4.472 50 0 IIAAMO COc1ccc2cc([C@]3(C)NC(=O)N(C[N@H+]4CCC[C@@H]4c4cccs4)C3=O)ccc2c1 ZINC000023935740 557126566 /nfs/dbraw/zinc/12/65/66/557126566.db2.gz NGIVPLBWISRNAL-YKSBVNFPSA-N 1 1 435.549 4.472 50 0 IIAAMO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000024807753 557168392 /nfs/dbraw/zinc/16/83/92/557168392.db2.gz RLGZGEDOEGYGRA-KGLIPLIRSA-N 1 1 447.366 4.469 50 0 IIAAMO COc1ccc(CCNC(=O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1OC ZINC000025397822 557208095 /nfs/dbraw/zinc/20/80/95/557208095.db2.gz JJEYDDYRWOJOBO-DEOSSOPVSA-N 1 1 430.548 4.010 50 0 IIAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCn1ccc2cccc(OC)c21 ZINC000583647601 557241154 /nfs/dbraw/zinc/24/11/54/557241154.db2.gz QOHABHYRBNGTAM-PKTZIBPZSA-N 1 1 441.616 4.170 50 0 biogenic IIAAMO COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000011667700 557325541 /nfs/dbraw/zinc/32/55/41/557325541.db2.gz VFWMKCDMDOIRPP-UHFFFAOYSA-N 1 1 443.388 4.378 50 0 IIAAMO COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CC[N@H+](C(C)C)C2 ZINC000011667700 557325545 /nfs/dbraw/zinc/32/55/45/557325545.db2.gz VFWMKCDMDOIRPP-UHFFFAOYSA-N 1 1 443.388 4.378 50 0 IIAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccc4c3OCCO4)CC2)cc1 ZINC000023334735 557349726 /nfs/dbraw/zinc/34/97/26/557349726.db2.gz HHIPYQANWSDORX-RUZDIDTESA-N 1 1 428.532 4.314 50 0 IIAAMO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000023982416 557389673 /nfs/dbraw/zinc/38/96/73/557389673.db2.gz UOZLDBLOTXYKFE-INIZCTEOSA-N 1 1 431.569 4.495 50 0 IIAAMO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000023982416 557389674 /nfs/dbraw/zinc/38/96/74/557389674.db2.gz UOZLDBLOTXYKFE-INIZCTEOSA-N 1 1 431.569 4.495 50 0 IIAAMO Cc1ccccc1C(=O)N[C@@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033530274 557408216 /nfs/dbraw/zinc/40/82/16/557408216.db2.gz PRLMFLIRGCCTLT-QFIPXVFZSA-N 1 1 441.575 4.047 50 0 IIAAMO CC[C@H](c1nnc(SCC(=O)Nc2cccnc2Cl)n1-c1ccccc1)[NH+](C)C ZINC000002726020 562930119 /nfs/dbraw/zinc/93/01/19/562930119.db2.gz KTNSZBJIQMJEGJ-MRXNPFEDSA-N 1 1 430.965 4.059 50 0 IIAAMO CCn1c2ccccc2c2sc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2c1=O ZINC000008599366 562954734 /nfs/dbraw/zinc/95/47/34/562954734.db2.gz UQTQNOGVVCMXOG-UHFFFAOYSA-N 1 1 433.577 4.488 50 0 IIAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CCCCC1 ZINC000104988400 568623817 /nfs/dbraw/zinc/62/38/17/568623817.db2.gz CTGVYPRVVMKBHQ-FUHWJXTLSA-N 1 1 447.645 4.030 50 0 IIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263586220 568759515 /nfs/dbraw/zinc/75/95/15/568759515.db2.gz RJYDVNNGTAGUTL-MDNUFGMLSA-N 1 1 429.630 4.269 50 0 biogenic IIAAMO CCCCS[C@H]1CCCC[C@H]1OC(=O)CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586684 568759523 /nfs/dbraw/zinc/75/95/23/568759523.db2.gz WXRHXRQJLTZHBC-PSBKLILYSA-N 1 1 432.630 4.045 50 0 biogenic IIAAMO COc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000015679536 568806102 /nfs/dbraw/zinc/80/61/02/568806102.db2.gz BIKDOUBJCKSDMG-GOSISDBHSA-N 1 1 439.556 4.015 50 0 IIAAMO COc1ccc(C[N@@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)cc1C ZINC000104482678 568837491 /nfs/dbraw/zinc/83/74/91/568837491.db2.gz NNBJHHGSYVJZOE-JOCHJYFZSA-N 1 1 437.609 4.196 50 0 IIAAMO COc1ccc(C[N@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)cc1C ZINC000104482678 568837493 /nfs/dbraw/zinc/83/74/93/568837493.db2.gz NNBJHHGSYVJZOE-JOCHJYFZSA-N 1 1 437.609 4.196 50 0 IIAAMO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3ccccc3Cl)C[C@H](O)COC(C)C)C2)cc1 ZINC000104982787 568839194 /nfs/dbraw/zinc/83/91/94/568839194.db2.gz SWPUKSPWBIQSAW-RBBKRZOGSA-N 1 1 446.975 4.130 50 0 IIAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3ccccc3Cl)C[C@H](O)COC(C)C)C2)cc1 ZINC000104982787 568839195 /nfs/dbraw/zinc/83/91/95/568839195.db2.gz SWPUKSPWBIQSAW-RBBKRZOGSA-N 1 1 446.975 4.130 50 0 IIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000015987200 568861944 /nfs/dbraw/zinc/86/19/44/568861944.db2.gz NOGABQKHFOYBGO-AFXVXQJMSA-N 1 1 428.532 4.434 50 0 IIAAMO C[N@H+](CCCc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012946974 568871325 /nfs/dbraw/zinc/87/13/25/568871325.db2.gz SRTALXONHQZMPT-UHFFFAOYSA-N 1 1 443.429 4.057 50 0 IIAAMO C[N@@H+](CCCc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012946974 568871328 /nfs/dbraw/zinc/87/13/28/568871328.db2.gz SRTALXONHQZMPT-UHFFFAOYSA-N 1 1 443.429 4.057 50 0 IIAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012950162 568871995 /nfs/dbraw/zinc/87/19/95/568871995.db2.gz YOQLOYQURBIBES-IBGZPJMESA-N 1 1 430.552 4.017 50 0 IIAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012950162 568871996 /nfs/dbraw/zinc/87/19/96/568871996.db2.gz YOQLOYQURBIBES-IBGZPJMESA-N 1 1 430.552 4.017 50 0 IIAAMO Cc1cccc2nc(CN(C)Cc3cccc(OC[C@H](O)C[NH+]4CCCCCC4)c3)[nH]c21 ZINC000053537534 568877017 /nfs/dbraw/zinc/87/70/17/568877017.db2.gz PSCSLHSPMBDSSY-JOCHJYFZSA-N 1 1 436.600 4.119 50 0 IIAAMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000575618721 568882287 /nfs/dbraw/zinc/88/22/87/568882287.db2.gz BHZXUOWRBVKLDY-QGZVFWFLSA-N 1 1 426.460 4.174 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000229482638 568886560 /nfs/dbraw/zinc/88/65/60/568886560.db2.gz HMTASVQDFLQKID-UZLBHIALSA-N 1 1 435.549 4.207 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000229482638 568886562 /nfs/dbraw/zinc/88/65/62/568886562.db2.gz HMTASVQDFLQKID-UZLBHIALSA-N 1 1 435.549 4.207 50 0 IIAAMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573409 568905451 /nfs/dbraw/zinc/90/54/51/568905451.db2.gz KELYDPDZFFHFEC-HZPDHXFCSA-N 1 1 430.346 4.127 50 0 IIAAMO COc1ccc2cc([C@@]3(C)NC(=O)N(C[N@@H+]4CCC[C@H]4c4cccs4)C3=O)ccc2c1 ZINC000239358418 568911406 /nfs/dbraw/zinc/91/14/06/568911406.db2.gz NGIVPLBWISRNAL-GBXCKJPGSA-N 1 1 435.549 4.472 50 0 IIAAMO COc1ccc2cc([C@@]3(C)NC(=O)N(C[N@H+]4CCC[C@H]4c4cccs4)C3=O)ccc2c1 ZINC000239358418 568911409 /nfs/dbraw/zinc/91/14/09/568911409.db2.gz NGIVPLBWISRNAL-GBXCKJPGSA-N 1 1 435.549 4.472 50 0 IIAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)C(c2ccccc2)c2ccccc2)c(C)c1 ZINC000016513824 568920446 /nfs/dbraw/zinc/92/04/46/568920446.db2.gz FUMUADVILIBMKL-UHFFFAOYSA-N 1 1 429.564 4.388 50 0 IIAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)C(c2ccccc2)c2ccccc2)c(C)c1 ZINC000016513824 568920447 /nfs/dbraw/zinc/92/04/47/568920447.db2.gz FUMUADVILIBMKL-UHFFFAOYSA-N 1 1 429.564 4.388 50 0 IIAAMO CN(c1ccc(NC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1F)C1CCCCC1 ZINC000089382617 568921320 /nfs/dbraw/zinc/92/13/20/568921320.db2.gz UBCWHYYNRVPWDZ-JOCHJYFZSA-N 1 1 445.627 4.228 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036095990 568951565 /nfs/dbraw/zinc/95/15/65/568951565.db2.gz RATOQEKEFVVXLQ-DEOSSOPVSA-N 1 1 439.527 4.423 50 0 IIAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147064 568962504 /nfs/dbraw/zinc/96/25/04/568962504.db2.gz FEPWIGORRUUXNZ-ZCYQVOJMSA-N 1 1 434.511 4.261 50 0 IIAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147064 568962505 /nfs/dbraw/zinc/96/25/05/568962505.db2.gz FEPWIGORRUUXNZ-ZCYQVOJMSA-N 1 1 434.511 4.261 50 0 IIAAMO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678932 568990183 /nfs/dbraw/zinc/99/01/83/568990183.db2.gz LZQUGPRWUMASCB-IRLDBZIGSA-N 1 1 431.502 4.093 50 0 IIAAMO CC(C)CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000169680068 568990751 /nfs/dbraw/zinc/99/07/51/568990751.db2.gz PROUWLVYZDGUOS-XMSQKQJNSA-N 1 1 448.604 4.121 50 0 IIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O ZINC000036309241 568995852 /nfs/dbraw/zinc/99/58/52/568995852.db2.gz DQMWZDUHGVKYEW-XXBNENTESA-N 1 1 444.641 4.469 50 0 IIAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H](O)Cc1ccccc1 ZINC000036312938 568998128 /nfs/dbraw/zinc/99/81/28/568998128.db2.gz UPOLCRHCCZTQSW-XMMPIXPASA-N 1 1 449.595 4.384 50 0 IIAAMO COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCCCC2)c(OC)c1 ZINC000036343176 569079617 /nfs/dbraw/zinc/07/96/17/569079617.db2.gz QGDRQRYQZZLUCU-QFIPXVFZSA-N 1 1 425.504 4.007 50 0 IIAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342044 569079625 /nfs/dbraw/zinc/07/96/25/569079625.db2.gz OMCFIEYFGBAQBN-NRFANRHFSA-N 1 1 427.520 4.331 50 0 IIAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342044 569079626 /nfs/dbraw/zinc/07/96/26/569079626.db2.gz OMCFIEYFGBAQBN-NRFANRHFSA-N 1 1 427.520 4.331 50 0 IIAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346253 569081176 /nfs/dbraw/zinc/08/11/76/569081176.db2.gz ZBEJKVXTPZMOLM-NRFANRHFSA-N 1 1 427.520 4.331 50 0 IIAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346253 569081178 /nfs/dbraw/zinc/08/11/78/569081178.db2.gz ZBEJKVXTPZMOLM-NRFANRHFSA-N 1 1 427.520 4.331 50 0 IIAAMO CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@@H+](C)C2CCCCC2)[C@@H]1c1cccs1 ZINC000006875498 569095177 /nfs/dbraw/zinc/09/51/77/569095177.db2.gz GCIJTONOPNGJLN-YADHBBJMSA-N 1 1 425.598 4.039 50 0 IIAAMO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016891261 569165811 /nfs/dbraw/zinc/16/58/11/569165811.db2.gz XUSVATLRTSCCDN-DVECYGJZSA-N 1 1 435.593 4.439 50 0 IIAAMO Cc1cccc2[nH+]c(Cn3c(=O)c(C(F)(F)F)nc4ccc(C(F)(F)F)cc43)cn21 ZINC000253424020 569267130 /nfs/dbraw/zinc/26/71/30/569267130.db2.gz XGKLZHSTPILENB-UHFFFAOYSA-N 1 1 426.320 4.439 50 0 IIAAMO Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c(C)c12 ZINC000013366420 569289911 /nfs/dbraw/zinc/28/99/11/569289911.db2.gz RNYCNMKCBHEQOO-FQEVSTJZSA-N 1 1 427.637 4.138 50 0 IIAAMO CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c12 ZINC000079189642 569327933 /nfs/dbraw/zinc/32/79/33/569327933.db2.gz CQXPWLJFBAUNHT-LEWJYISDSA-N 1 1 440.584 4.204 50 0 biogenic IIAAMO C[C@H]1C[C@@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000095408997 569365206 /nfs/dbraw/zinc/36/52/06/569365206.db2.gz YJOAPKMPADYJON-UNMCSNQZSA-N 1 1 431.536 4.422 50 0 IIAAMO O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CC[NH+](C2CCCCC2)CC1 ZINC000020643533 569374900 /nfs/dbraw/zinc/37/49/00/569374900.db2.gz AJAUFTOZRGLKAC-UHFFFAOYSA-N 1 1 442.629 4.096 50 0 IIAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000096457212 569400822 /nfs/dbraw/zinc/40/08/22/569400822.db2.gz FUUKPPZRNLTKLV-AHWVRZQESA-N 1 1 447.529 4.144 50 0 IIAAMO CCOc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@@H]3COCc3ccccc3)CC2)cc1 ZINC000225630768 569406233 /nfs/dbraw/zinc/40/62/33/569406233.db2.gz PNCGJVMKSFRMSD-RUZDIDTESA-N 1 1 436.596 4.300 50 0 IIAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1O ZINC000008722398 569471812 /nfs/dbraw/zinc/47/18/12/569471812.db2.gz ONNRBZCDOPGBJI-JOCHJYFZSA-N 1 1 435.549 4.265 50 0 IIAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1O ZINC000008722398 569471813 /nfs/dbraw/zinc/47/18/13/569471813.db2.gz ONNRBZCDOPGBJI-JOCHJYFZSA-N 1 1 435.549 4.265 50 0 IIAAMO CC[NH+](CC)[C@@H](CNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000040043243 569483638 /nfs/dbraw/zinc/48/36/38/569483638.db2.gz UTWZKDFKGQSTTF-QFIPXVFZSA-N 1 1 440.565 4.066 50 0 IIAAMO C[N@@H+](Cc1ccccc1NC(=O)CNC(=O)NCc1ccc(F)cc1)C1CCCCC1 ZINC000040057948 569484602 /nfs/dbraw/zinc/48/46/02/569484602.db2.gz OQGFVIGCMWEMII-UHFFFAOYSA-N 1 1 426.536 4.028 50 0 IIAAMO CNC(=O)c1ccc(C[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C2CC2)cc1 ZINC000040059679 569484766 /nfs/dbraw/zinc/48/47/66/569484766.db2.gz RDZYDJVFWAEOEP-QFIPXVFZSA-N 1 1 427.548 4.180 50 0 IIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OCc1ccccc1 ZINC000009235276 569514072 /nfs/dbraw/zinc/51/40/72/569514072.db2.gz HGJYQVNNOQTYKL-QFIPXVFZSA-N 1 1 435.549 4.178 50 0 IIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OCc1ccccc1 ZINC000009235276 569514073 /nfs/dbraw/zinc/51/40/73/569514073.db2.gz HGJYQVNNOQTYKL-QFIPXVFZSA-N 1 1 435.549 4.178 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000009595074 569550698 /nfs/dbraw/zinc/55/06/98/569550698.db2.gz WISAVWVOIPFZLQ-UHFFFAOYSA-N 1 1 433.596 4.331 50 0 IIAAMO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c12 ZINC000009610392 569552544 /nfs/dbraw/zinc/55/25/44/569552544.db2.gz LJJBMNXNPINERA-SFHVURJKSA-N 1 1 439.991 4.398 50 0 IIAAMO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000009812387 569569111 /nfs/dbraw/zinc/56/91/11/569569111.db2.gz COWYEQSELHOPFX-LJQANCHMSA-N 1 1 434.367 4.400 50 0 IIAAMO COc1cc(COCC2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)cc(OC)c1 ZINC000077191423 569585985 /nfs/dbraw/zinc/58/59/85/569585985.db2.gz SBXACTHWXQFJPK-UHFFFAOYSA-N 1 1 426.557 4.188 50 0 IIAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nn2)CC1 ZINC000010186611 132243223 /nfs/dbraw/zinc/24/32/23/132243223.db2.gz OUNDNFMXXRRJME-UHFFFAOYSA-N 1 1 442.350 4.455 50 0 IIAAMO c1c(-c2ccccc2)sc2ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c12 ZINC000003244620 132262746 /nfs/dbraw/zinc/26/27/46/132262746.db2.gz CEKCUONLEQUTNK-UHFFFAOYSA-N 1 1 430.533 4.409 50 0 IIAAMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009118053 132304385 /nfs/dbraw/zinc/30/43/85/132304385.db2.gz GAKFTUPSAHANAC-NRFANRHFSA-N 1 1 440.632 4.119 50 0 IIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cc(C)cc(C)c4)CC3)n2)cc1 ZINC000009573261 132321999 /nfs/dbraw/zinc/32/19/99/132321999.db2.gz VOZNGABCMBCDIN-UHFFFAOYSA-N 1 1 431.540 4.116 50 0 IIAAMO CC(C)Cc1cc(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n[nH]1 ZINC000020783434 519432265 /nfs/dbraw/zinc/43/22/65/519432265.db2.gz CEEOKCFMFMFOFF-QHCPKHFHSA-N 1 1 449.565 4.414 50 0 IIAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000012246385 519714682 /nfs/dbraw/zinc/71/46/82/519714682.db2.gz OKNVMCWFODULLT-PXNSSMCTSA-N 1 1 428.989 4.476 50 0 IIAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000012246385 519714683 /nfs/dbraw/zinc/71/46/83/519714683.db2.gz OKNVMCWFODULLT-PXNSSMCTSA-N 1 1 428.989 4.476 50 0 IIAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000012458826 520464233 /nfs/dbraw/zinc/46/42/33/520464233.db2.gz KQIRQMOLRHRAPN-UHFFFAOYSA-N 1 1 427.541 4.100 50 0 IIAAMO CC[NH+](CC)c1ccc(-n2cc3c(c2-c2ccccc2Cl)c(=O)n(C)c(=O)n3C)cc1 ZINC000021168239 520879383 /nfs/dbraw/zinc/87/93/83/520879383.db2.gz YOIUWYZBOMLRGD-UHFFFAOYSA-N 1 1 436.943 4.195 50 0 IIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(C)c1C)CC[N@H+](Cc1ccccc1)C2 ZINC000035457218 521538375 /nfs/dbraw/zinc/53/83/75/521538375.db2.gz YBWCLSYBKMUVHY-UHFFFAOYSA-N 1 1 444.579 4.010 50 0 IIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cccc(C)c1C)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457218 521538383 /nfs/dbraw/zinc/53/83/83/521538383.db2.gz YBWCLSYBKMUVHY-UHFFFAOYSA-N 1 1 444.579 4.010 50 0 IIAAMO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012597350 521747867 /nfs/dbraw/zinc/74/78/67/521747867.db2.gz LQVSACKBRQBKKS-OAQYLSRUSA-N 1 1 448.586 4.290 50 0 IIAAMO C[NH+](C)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1Cl ZINC000012773723 522027348 /nfs/dbraw/zinc/02/73/48/522027348.db2.gz JSRYCDBNDWNNSZ-NRFANRHFSA-N 1 1 426.923 4.186 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012754806 522514440 /nfs/dbraw/zinc/51/44/40/522514440.db2.gz OFMLIVOQLWWGIH-QGZVFWFLSA-N 1 1 443.975 4.012 50 0 IIAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)cc(OC)c1 ZINC000012714085 522655177 /nfs/dbraw/zinc/65/51/77/522655177.db2.gz MSRNULIQIBVDIP-QGZVFWFLSA-N 1 1 430.520 4.482 50 0 IIAAMO COCc1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)ccc1OC ZINC000012301751 522938901 /nfs/dbraw/zinc/93/89/01/522938901.db2.gz ZBMWBZXTMONHKT-XTJBDQBJSA-N 1 1 440.971 4.433 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041050 523045465 /nfs/dbraw/zinc/04/54/65/523045465.db2.gz QVUSYQIUBMSHDU-VWLOTQADSA-N 1 1 444.575 4.471 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041050 523045478 /nfs/dbraw/zinc/04/54/78/523045478.db2.gz QVUSYQIUBMSHDU-VWLOTQADSA-N 1 1 444.575 4.471 50 0 IIAAMO CN(Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012711220 523261349 /nfs/dbraw/zinc/26/13/49/523261349.db2.gz AFOCWXLWQZGHIC-QFIPXVFZSA-N 1 1 441.019 4.256 50 0 IIAAMO CN(Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012711220 523261362 /nfs/dbraw/zinc/26/13/62/523261362.db2.gz AFOCWXLWQZGHIC-QFIPXVFZSA-N 1 1 441.019 4.256 50 0 IIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000020814458 523267451 /nfs/dbraw/zinc/26/74/51/523267451.db2.gz HBKQEOJYIWQSCZ-LJQANCHMSA-N 1 1 440.613 4.424 50 0 IIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000020814458 523267455 /nfs/dbraw/zinc/26/74/55/523267455.db2.gz HBKQEOJYIWQSCZ-LJQANCHMSA-N 1 1 440.613 4.424 50 0 IIAAMO COCCN(Cc1csc(C(C)=O)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012429687 523772309 /nfs/dbraw/zinc/77/23/09/523772309.db2.gz OBOGXSPKNLANBL-HXUWFJFHSA-N 1 1 426.626 4.279 50 0 IIAAMO CN1CC[NH+](CCCNC(=O)c2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)CC1 ZINC000020466664 523896650 /nfs/dbraw/zinc/89/66/50/523896650.db2.gz ONGWUDVQHZOCKN-UHFFFAOYSA-N 1 1 443.016 4.340 50 0 IIAAMO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429689 523948885 /nfs/dbraw/zinc/94/88/85/523948885.db2.gz KPVNTVCXQZJLRP-XMMPIXPASA-N 1 1 440.628 4.361 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429689 523948887 /nfs/dbraw/zinc/94/88/87/523948887.db2.gz KPVNTVCXQZJLRP-XMMPIXPASA-N 1 1 440.628 4.361 50 0 IIAAMO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012868941 524043936 /nfs/dbraw/zinc/04/39/36/524043936.db2.gz AYCKNIFLIXUYBG-KRWDZBQOSA-N 1 1 434.506 4.052 50 0 IIAAMO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012868941 524043939 /nfs/dbraw/zinc/04/39/39/524043939.db2.gz AYCKNIFLIXUYBG-KRWDZBQOSA-N 1 1 434.506 4.052 50 0 IIAAMO Cc1cc(C)n(Cc2cccc(C(=O)N(C)[C@@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)c2)n1 ZINC000012755998 524540383 /nfs/dbraw/zinc/54/03/83/524540383.db2.gz GHMWHOMYKKYLSI-AREMUKBSSA-N 1 1 442.607 4.252 50 0 IIAAMO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1C ZINC000022908207 524576180 /nfs/dbraw/zinc/57/61/80/524576180.db2.gz LESIRZOGDFZRCC-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1C ZINC000022908207 524576186 /nfs/dbraw/zinc/57/61/86/524576186.db2.gz LESIRZOGDFZRCC-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000022324904 524884053 /nfs/dbraw/zinc/88/40/53/524884053.db2.gz YKIZACHROLRTSM-GJZGRUSLSA-N 1 1 434.993 4.033 50 0 IIAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000012765749 524914065 /nfs/dbraw/zinc/91/40/65/524914065.db2.gz MUKBKSAGCWPYPX-HXUWFJFHSA-N 1 1 447.373 4.262 50 0 IIAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000012765749 524914077 /nfs/dbraw/zinc/91/40/77/524914077.db2.gz MUKBKSAGCWPYPX-HXUWFJFHSA-N 1 1 447.373 4.262 50 0 IIAAMO C[C@H](NC(=O)Cc1cccs1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020857453 524990385 /nfs/dbraw/zinc/99/03/85/524990385.db2.gz KXPDHYPHPNQWGB-MBSDFSHPSA-N 1 1 425.623 4.420 50 0 IIAAMO C[C@H](NC(=S)Nc1cccc(Br)c1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031413 525276283 /nfs/dbraw/zinc/27/62/83/525276283.db2.gz SVUPCISOJZVYMW-OXJNMPFZSA-N 1 1 447.446 4.113 50 0 IIAAMO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000020597580 525685814 /nfs/dbraw/zinc/68/58/14/525685814.db2.gz DOPMQQZDOUWYCE-UHFFFAOYSA-N 1 1 439.987 4.412 50 0 IIAAMO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000022773793 525859488 /nfs/dbraw/zinc/85/94/88/525859488.db2.gz UUNOQOJEZZJYNS-SFHVURJKSA-N 1 1 426.948 4.456 50 0 IIAAMO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000022773788 525859973 /nfs/dbraw/zinc/85/99/73/525859973.db2.gz UUNOQOJEZZJYNS-GOSISDBHSA-N 1 1 426.948 4.456 50 0 IIAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012903124 526137511 /nfs/dbraw/zinc/13/75/11/526137511.db2.gz JLIMDXZKZPXJNE-CQSZACIVSA-N 1 1 426.870 4.293 50 0 IIAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012903124 526137513 /nfs/dbraw/zinc/13/75/13/526137513.db2.gz JLIMDXZKZPXJNE-CQSZACIVSA-N 1 1 426.870 4.293 50 0 IIAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000012757140 526169212 /nfs/dbraw/zinc/16/92/12/526169212.db2.gz CWSAGVOCKRJZDA-UHFFFAOYSA-N 1 1 438.753 4.310 50 0 IIAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000012757140 526169219 /nfs/dbraw/zinc/16/92/19/526169219.db2.gz CWSAGVOCKRJZDA-UHFFFAOYSA-N 1 1 438.753 4.310 50 0 IIAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NCCCc1ccncc1 ZINC000020906111 526495506 /nfs/dbraw/zinc/49/55/06/526495506.db2.gz MBEJAVWIJMWJNE-RUZDIDTESA-N 1 1 433.527 4.296 50 0 IIAAMO O=C(CN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1ccccc1Br ZINC000022912581 526777827 /nfs/dbraw/zinc/77/78/27/526777827.db2.gz XUAWYPRSXIEPQX-UHFFFAOYSA-N 1 1 444.398 4.420 50 0 IIAAMO O=C(c1nc2sccn2c1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)N1CCCC1 ZINC000020776017 526918002 /nfs/dbraw/zinc/91/80/02/526918002.db2.gz NOUSONOWJGVTFI-MRXNPFEDSA-N 1 1 435.553 4.153 50 0 IIAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000009892286 527027870 /nfs/dbraw/zinc/02/78/70/527027870.db2.gz BPBAVGSPVIPOAU-SFHVURJKSA-N 1 1 427.863 4.132 50 0 IIAAMO O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)N=C1c1ccc(Br)cc1 ZINC000035430873 527060329 /nfs/dbraw/zinc/06/03/29/527060329.db2.gz ALSNTLZSKIGTHG-UHFFFAOYSA-N 1 1 432.749 4.014 50 0 IIAAMO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012433678 527138564 /nfs/dbraw/zinc/13/85/64/527138564.db2.gz GJDIHJPVGCGJCD-OAQYLSRUSA-N 1 1 426.524 4.113 50 0 IIAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccn1-c1ccccn1 ZINC000012448666 527147384 /nfs/dbraw/zinc/14/73/84/527147384.db2.gz VDXVEUVHGSMYOQ-QHCPKHFHSA-N 1 1 426.524 4.051 50 0 IIAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@H+]1Cc1cccn1-c1ccccn1 ZINC000012448666 527147388 /nfs/dbraw/zinc/14/73/88/527147388.db2.gz VDXVEUVHGSMYOQ-QHCPKHFHSA-N 1 1 426.524 4.051 50 0 IIAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000012307974 527433779 /nfs/dbraw/zinc/43/37/79/527433779.db2.gz YRSAQZQQNBTXLY-GOSISDBHSA-N 1 1 429.480 4.261 50 0 IIAAMO Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000034675515 555794131 /nfs/dbraw/zinc/79/41/31/555794131.db2.gz MMCZNADFPYGMLC-UHFFFAOYSA-N 1 1 441.575 4.159 50 0 IIAAMO Cc1ccc(Cn2c(C(=O)N3CC[NH+](C)CC3)cc3sc(Br)cc32)cc1 ZINC000034678464 555797108 /nfs/dbraw/zinc/79/71/08/555797108.db2.gz AHZCYFLXWFJICY-UHFFFAOYSA-N 1 1 432.387 4.210 50 0 IIAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccco3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681469 555814601 /nfs/dbraw/zinc/81/46/01/555814601.db2.gz FXBNUVZZYKOTJY-UHFFFAOYSA-N 1 1 430.430 4.268 50 0 IIAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3cccc(F)c3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681931 555815613 /nfs/dbraw/zinc/81/56/13/555815613.db2.gz HMLZRZGLHILFID-UHFFFAOYSA-N 1 1 440.469 4.464 50 0 IIAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000011662697 556343881 /nfs/dbraw/zinc/34/38/81/556343881.db2.gz ROKIMKNFDNEECF-INIZCTEOSA-N 1 1 435.553 4.230 50 0 IIAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000011662697 556343885 /nfs/dbraw/zinc/34/38/85/556343885.db2.gz ROKIMKNFDNEECF-INIZCTEOSA-N 1 1 435.553 4.230 50 0 IIAAMO CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)CCn2cc[nH+]c2CC)C1 ZINC000011664389 556345258 /nfs/dbraw/zinc/34/52/58/556345258.db2.gz CHRADXZPIFOFMY-VWLOTQADSA-N 1 1 425.573 4.030 50 0 IIAAMO OCCOc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011665345 556345703 /nfs/dbraw/zinc/34/57/03/556345703.db2.gz GAURDHUVBCTIRB-RUZDIDTESA-N 1 1 437.628 4.500 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000011818093 556360563 /nfs/dbraw/zinc/36/05/63/556360563.db2.gz KTOHRJCMWLSQBX-XMMPIXPASA-N 1 1 435.612 4.032 50 0 IIAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)Cc2ccccc2O1 ZINC000011880539 556372461 /nfs/dbraw/zinc/37/24/61/556372461.db2.gz GGZLIRQXXJGBPR-GOSISDBHSA-N 1 1 428.960 4.383 50 0 IIAAMO COc1cc(CN2C(=O)CC[C@@H]3C[N@H+](Cc4ccc(C)cc4)CC[C@@H]32)cc(OC)c1OC ZINC000011881818 556373221 /nfs/dbraw/zinc/37/32/21/556373221.db2.gz DHOZHHLMPOHHDN-YADHBBJMSA-N 1 1 438.568 4.034 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1)N1CCN(c2ccccn2)CC1 ZINC000014962540 556464572 /nfs/dbraw/zinc/46/45/72/556464572.db2.gz KWJKRVMUMICEAC-IBGZPJMESA-N 1 1 444.982 4.215 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1)N1CCN(c2ccccn2)CC1 ZINC000014962540 556464576 /nfs/dbraw/zinc/46/45/76/556464576.db2.gz KWJKRVMUMICEAC-IBGZPJMESA-N 1 1 444.982 4.215 50 0 IIAAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000014990681 556474783 /nfs/dbraw/zinc/47/47/83/556474783.db2.gz OIZGZMLFUMZUPX-LJQANCHMSA-N 1 1 441.963 4.100 50 0 IIAAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000014990681 556474785 /nfs/dbraw/zinc/47/47/85/556474785.db2.gz OIZGZMLFUMZUPX-LJQANCHMSA-N 1 1 441.963 4.100 50 0 IIAAMO Clc1ccccc1-c1ccc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)s1 ZINC000029527618 556477541 /nfs/dbraw/zinc/47/75/41/556477541.db2.gz WAFXTIQYYDWCGN-UHFFFAOYSA-N 1 1 436.972 4.366 50 0 IIAAMO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC=C(c2c(OC)cc(OC)cc2OC)CC1 ZINC000029641221 556479484 /nfs/dbraw/zinc/47/94/84/556479484.db2.gz RELHFGFDOKJUKA-LJQANCHMSA-N 1 1 438.568 4.239 50 0 IIAAMO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC=C(c2c(OC)cc(OC)cc2OC)CC1 ZINC000029641221 556479487 /nfs/dbraw/zinc/47/94/87/556479487.db2.gz RELHFGFDOKJUKA-LJQANCHMSA-N 1 1 438.568 4.239 50 0 IIAAMO Cc1cccc(-n2cc(C[NH+]3CCN(c4cnccn4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000015064353 556491709 /nfs/dbraw/zinc/49/17/09/556491709.db2.gz SICUZJOKTQQGEG-UHFFFAOYSA-N 1 1 428.515 4.099 50 0 IIAAMO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1 ZINC000015078360 556499967 /nfs/dbraw/zinc/49/99/67/556499967.db2.gz NKNGZQYDQYPDNZ-UHFFFAOYSA-N 1 1 432.923 4.423 50 0 IIAAMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955130 556517972 /nfs/dbraw/zinc/51/79/72/556517972.db2.gz XEHLNAQVMFZRAD-UHFFFAOYSA-N 1 1 441.329 4.350 50 0 IIAAMO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955128 556517999 /nfs/dbraw/zinc/51/79/99/556517999.db2.gz AMDSZZSIVKNYPJ-UHFFFAOYSA-N 1 1 441.329 4.350 50 0 IIAAMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000072305337 556552980 /nfs/dbraw/zinc/55/29/80/556552980.db2.gz ODNGNVGNXADKCK-MRXNPFEDSA-N 1 1 443.569 4.070 50 0 IIAAMO COc1cc(NC(=O)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c(OC)cc1Cl ZINC000072308755 556567477 /nfs/dbraw/zinc/56/74/77/556567477.db2.gz TZNNZXYGIWOCMD-HXUWFJFHSA-N 1 1 432.948 4.058 50 0 IIAAMO Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC000015987156 556571103 /nfs/dbraw/zinc/57/11/03/556571103.db2.gz PUODCBLVQKVECY-MRXNPFEDSA-N 1 1 441.944 4.486 50 0 IIAAMO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000015659154 556572186 /nfs/dbraw/zinc/57/21/86/556572186.db2.gz HYRIWUUVLRNBPQ-SPHKWJJASA-N 1 1 447.623 4.111 50 0 IIAAMO CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146010 556593918 /nfs/dbraw/zinc/59/39/18/556593918.db2.gz DILLGLRMGMRCSI-RTWAWAEBSA-N 1 1 437.367 4.386 50 0 IIAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000060267300 556601160 /nfs/dbraw/zinc/60/11/60/556601160.db2.gz BDJHLKSIMDPAEI-LJQANCHMSA-N 1 1 443.613 4.307 50 0 IIAAMO COc1ccccc1/C=C1\Oc2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2NC1=O ZINC000032983738 556602301 /nfs/dbraw/zinc/60/23/01/556602301.db2.gz YSKCTSSWCZGIAR-SNFPTOCBSA-N 1 1 449.551 4.062 50 0 IIAAMO CC(C)[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000016695282 556628562 /nfs/dbraw/zinc/62/85/62/556628562.db2.gz NZYOVSADOJZAAT-SANMLTNESA-N 1 1 446.595 4.416 50 0 IIAAMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4cccc(C)c4)oc3C)C2)cc1 ZINC000013574580 556698333 /nfs/dbraw/zinc/69/83/33/556698333.db2.gz FEGIRYMCKCJPBY-JOCHJYFZSA-N 1 1 433.552 4.495 50 0 IIAAMO COCC[N@H+]1CC[C@H](CN(C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223692 556716112 /nfs/dbraw/zinc/71/61/12/556716112.db2.gz RBOQJPXOYFELDV-OAQYLSRUSA-N 1 1 436.575 4.387 50 0 IIAAMO COCCN1CC[C@H](C[N@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223692 556716126 /nfs/dbraw/zinc/71/61/26/556716126.db2.gz RBOQJPXOYFELDV-OAQYLSRUSA-N 1 1 436.575 4.387 50 0 IIAAMO COCCN1CC[C@H](C[N@@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223692 556716129 /nfs/dbraw/zinc/71/61/29/556716129.db2.gz RBOQJPXOYFELDV-OAQYLSRUSA-N 1 1 436.575 4.387 50 0 IIAAMO COCC[N@H+]1CC[C@@H](CN(C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223689 556716178 /nfs/dbraw/zinc/71/61/78/556716178.db2.gz RBOQJPXOYFELDV-NRFANRHFSA-N 1 1 436.575 4.387 50 0 IIAAMO COCCN1CC[C@@H](C[N@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223689 556716185 /nfs/dbraw/zinc/71/61/85/556716185.db2.gz RBOQJPXOYFELDV-NRFANRHFSA-N 1 1 436.575 4.387 50 0 IIAAMO COCCN1CC[C@@H](C[N@@H+](C)Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000019223689 556716186 /nfs/dbraw/zinc/71/61/86/556716186.db2.gz RBOQJPXOYFELDV-NRFANRHFSA-N 1 1 436.575 4.387 50 0 IIAAMO CN(C(=O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000058015467 556754039 /nfs/dbraw/zinc/75/40/39/556754039.db2.gz PEPRLGZFPNNOJX-OAQYLSRUSA-N 1 1 449.526 4.019 50 0 IIAAMO O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000058217219 556772905 /nfs/dbraw/zinc/77/29/05/556772905.db2.gz MZGMJGWRGSILQI-UHFFFAOYSA-N 1 1 428.960 4.282 50 0 IIAAMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1C ZINC000058379616 556784375 /nfs/dbraw/zinc/78/43/75/556784375.db2.gz CXEYPIDSWDKHRE-JOCHJYFZSA-N 1 1 442.625 4.313 50 0 IIAAMO COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008901678 556851364 /nfs/dbraw/zinc/85/13/64/556851364.db2.gz KGSNDEUBDPLTMC-KRWDZBQOSA-N 1 1 429.007 4.306 50 0 IIAAMO O=C(Cc1c[nH]c2ccccc12)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000019741848 556884940 /nfs/dbraw/zinc/88/49/40/556884940.db2.gz YJJOETZGLYCTPC-SANMLTNESA-N 1 1 425.532 4.463 50 0 IIAAMO Brc1cccc(CN2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000019788780 556914011 /nfs/dbraw/zinc/91/40/11/556914011.db2.gz AELHAYKHYGKTFK-UHFFFAOYSA-N 1 1 428.418 4.231 50 0 IIAAMO O=C(c1cc(F)cc2c1OCOC2)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019835168 556928131 /nfs/dbraw/zinc/92/81/31/556928131.db2.gz XZXLTQQMDYGJAL-UHFFFAOYSA-N 1 1 430.479 4.220 50 0 IIAAMO O=C(c1cc2cccc3c2n(c1=O)CC3)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019862126 556933947 /nfs/dbraw/zinc/93/39/47/556933947.db2.gz JGFWJTLJYGMCTC-UHFFFAOYSA-N 1 1 449.554 4.105 50 0 IIAAMO CSc1ccc([C@H]2[NH+]=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000020028277 556967586 /nfs/dbraw/zinc/96/75/86/556967586.db2.gz AEJBNXWFULGOFT-QFIPXVFZSA-N 1 1 446.580 4.131 50 0 IIAAMO CC(C)(C)c1cc([C@H](c2ccncc2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000020192126 556996237 /nfs/dbraw/zinc/99/62/37/556996237.db2.gz NRTPCGCHVLRMHY-QHCPKHFHSA-N 1 1 425.617 4.082 50 0 IIAAMO Clc1ccc(-c2cc3ncnc(NC[C@@H]([C@H]4CCOC4)[NH+]4CCOCC4)c3s2)cc1 ZINC000048326451 557068807 /nfs/dbraw/zinc/06/88/07/557068807.db2.gz XDWOEZCPXKWZRE-LPHOPBHVSA-N 1 1 444.988 4.161 50 0 IIAAMO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023389276 557090357 /nfs/dbraw/zinc/09/03/57/557090357.db2.gz SNDSIQFHZGRUAC-MHZLTWQESA-N 1 1 444.575 4.178 50 0 IIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000049604859 557115158 /nfs/dbraw/zinc/11/51/58/557115158.db2.gz CRGNQXJSQUALGF-FQEVSTJZSA-N 1 1 429.524 4.082 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cc(=O)n3c(C)cccc3n1)CC2 ZINC000023873095 557121857 /nfs/dbraw/zinc/12/18/57/557121857.db2.gz STCXXLNCEGRSKB-HHHXNRCGSA-N 1 1 441.531 4.168 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cc(=O)n3c(C)cccc3n1)CC2 ZINC000023873095 557121862 /nfs/dbraw/zinc/12/18/62/557121862.db2.gz STCXXLNCEGRSKB-HHHXNRCGSA-N 1 1 441.531 4.168 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000027668223 557270986 /nfs/dbraw/zinc/27/09/86/557270986.db2.gz NDMUQUDWGOXJPL-HXUWFJFHSA-N 1 1 440.927 4.412 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000104730466 557459258 /nfs/dbraw/zinc/45/92/58/557459258.db2.gz DGWDNHUACNLQBT-QRQCRPRQSA-N 1 1 437.496 4.198 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000104730466 557459263 /nfs/dbraw/zinc/45/92/63/557459263.db2.gz DGWDNHUACNLQBT-QRQCRPRQSA-N 1 1 437.496 4.198 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105011338 557472808 /nfs/dbraw/zinc/47/28/08/557472808.db2.gz QGSWPEOPTDVNBV-UKILVPOCSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105011338 557472810 /nfs/dbraw/zinc/47/28/10/557472810.db2.gz QGSWPEOPTDVNBV-UKILVPOCSA-N 1 1 447.579 4.256 50 0 IIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Br)cc1 ZINC000003262848 562933481 /nfs/dbraw/zinc/93/34/81/562933481.db2.gz PIZSXFVKTPLNGH-HKUYNNGSSA-N 1 1 444.398 4.080 50 0 IIAAMO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000012573711 562982803 /nfs/dbraw/zinc/98/28/03/562982803.db2.gz KLYCVHKEWQKVBA-UHFFFAOYSA-N 1 1 432.923 4.423 50 0 IIAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982878 568622730 /nfs/dbraw/zinc/62/27/30/568622730.db2.gz JUIFPDABEWZFMR-XZOQPEGZSA-N 1 1 430.976 4.369 50 0 IIAAMO COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H](C)C1)CCC2 ZINC000002072929 568742555 /nfs/dbraw/zinc/74/25/55/568742555.db2.gz LVCBMWWFAVHDRR-HNNXBMFYSA-N 1 1 427.570 4.168 50 0 IIAAMO COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H](C)C1)CCC2 ZINC000002072929 568742556 /nfs/dbraw/zinc/74/25/56/568742556.db2.gz LVCBMWWFAVHDRR-HNNXBMFYSA-N 1 1 427.570 4.168 50 0 IIAAMO CCCOc1ccc(C[N@H+](CCC)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000015418818 568762015 /nfs/dbraw/zinc/76/20/15/568762015.db2.gz NLTAOCNAAKGBLE-UHFFFAOYSA-N 1 1 441.572 4.037 50 0 IIAAMO CCCOc1ccc(C[N@@H+](CCC)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1OC ZINC000015418818 568762017 /nfs/dbraw/zinc/76/20/17/568762017.db2.gz NLTAOCNAAKGBLE-UHFFFAOYSA-N 1 1 441.572 4.037 50 0 IIAAMO Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H](c3csc4ccccc43)[NH+](C)C)cc2)co1 ZINC000575622195 568883055 /nfs/dbraw/zinc/88/30/55/568883055.db2.gz XMVJSZPVJBBXQG-NRFANRHFSA-N 1 1 441.578 4.446 50 0 IIAAMO O=C(Nc1ccccc1Oc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000229849834 568887119 /nfs/dbraw/zinc/88/71/19/568887119.db2.gz KJKUGEAELYWBPP-FYYLOGMGSA-N 1 1 431.536 4.483 50 0 IIAAMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000006582012 568933834 /nfs/dbraw/zinc/93/38/34/568933834.db2.gz SFFUZSHPKSEYQK-LJQANCHMSA-N 1 1 426.948 4.362 50 0 IIAAMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)CC1 ZINC000169620846 568969979 /nfs/dbraw/zinc/96/99/79/568969979.db2.gz GEMFAWUXUVGGTE-XZIKAVMCSA-N 1 1 428.580 4.057 50 0 IIAAMO Cc1ccc(-c2nc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c3n2CCCCC3)cc1 ZINC000006749282 568972265 /nfs/dbraw/zinc/97/22/65/568972265.db2.gz WBMCHVPNLDXZJI-UHFFFAOYSA-N 1 1 428.580 4.373 50 0 IIAAMO Cc1ccc(-c2nc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c3n2CCCCC3)cc1 ZINC000006749282 568972266 /nfs/dbraw/zinc/97/22/66/568972266.db2.gz WBMCHVPNLDXZJI-UHFFFAOYSA-N 1 1 428.580 4.373 50 0 IIAAMO CCCCc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)N(C)CCC)C3CCCC3)CC2)cc1 ZINC000036250772 568984231 /nfs/dbraw/zinc/98/42/31/568984231.db2.gz FMNQHCDFMKLIDZ-XMMPIXPASA-N 1 1 427.633 4.214 50 0 IIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)CC ZINC000169680362 568990821 /nfs/dbraw/zinc/99/08/21/568990821.db2.gz NUBJGLANUMUIIK-RBBKRZOGSA-N 1 1 444.641 4.353 50 0 IIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC ZINC000036305925 568995433 /nfs/dbraw/zinc/99/54/33/568995433.db2.gz CDZBERIAPSHAJH-FQEVSTJZSA-N 1 1 439.556 4.107 50 0 IIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC ZINC000036306292 568995648 /nfs/dbraw/zinc/99/56/48/568995648.db2.gz RFGDCFCMKOHRFG-FQEVSTJZSA-N 1 1 439.556 4.107 50 0 IIAAMO CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC(C)C ZINC000036309095 568995767 /nfs/dbraw/zinc/99/57/67/568995767.db2.gz XIYRZRKEMXNQIO-REWPJTCUSA-N 1 1 444.641 4.290 50 0 IIAAMO CCC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309141 568995827 /nfs/dbraw/zinc/99/58/27/568995827.db2.gz OPZKSNAVAZBEPP-REWPJTCUSA-N 1 1 444.641 4.434 50 0 IIAAMO COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)Cc1ccccc1 ZINC000036313003 568998084 /nfs/dbraw/zinc/99/80/84/568998084.db2.gz OZVMLMBJPKQGPJ-QHCPKHFHSA-N 1 1 435.568 4.341 50 0 IIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](CCOC)C[C@@H](C)O ZINC000036316366 568999873 /nfs/dbraw/zinc/99/98/73/568999873.db2.gz JHIZVZQTAXTVGK-LJQANCHMSA-N 1 1 439.556 4.065 50 0 IIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](CCOC)C[C@@H](C)O ZINC000036316366 568999874 /nfs/dbraw/zinc/99/98/74/568999874.db2.gz JHIZVZQTAXTVGK-LJQANCHMSA-N 1 1 439.556 4.065 50 0 IIAAMO COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000036343183 569079662 /nfs/dbraw/zinc/07/96/62/569079662.db2.gz NNRTZFBPALVKDX-QHCPKHFHSA-N 1 1 439.531 4.253 50 0 IIAAMO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCCC2)c(OC)c1 ZINC000036344459 569080262 /nfs/dbraw/zinc/08/02/62/569080262.db2.gz GILQORRAHPXUDB-XMMPIXPASA-N 1 1 435.568 4.484 50 0 IIAAMO C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606028 569143864 /nfs/dbraw/zinc/14/38/64/569143864.db2.gz UQQWFCSWCNVVSX-AUUYWEPGSA-N 1 1 427.346 4.319 50 0 IIAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)n1 ZINC000195529359 569204227 /nfs/dbraw/zinc/20/42/27/569204227.db2.gz GVNMHVVYSJLPOU-DNQXCXABSA-N 1 1 445.563 4.147 50 0 IIAAMO CC(=O)N[C@H](CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000195529228 569204247 /nfs/dbraw/zinc/20/42/47/569204247.db2.gz VMSBKEVHWJULOK-KGVIQGDOSA-N 1 1 427.614 4.110 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)C1 ZINC000020116018 569335096 /nfs/dbraw/zinc/33/50/96/569335096.db2.gz MMXTVPSXLXVUFL-OVNVTHAWSA-N 1 1 439.625 4.143 50 0 IIAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)Cn2c3ccccc3nc2SC(F)F)c1 ZINC000095948746 569376533 /nfs/dbraw/zinc/37/65/33/569376533.db2.gz XRLDAQCTPZTDOL-UHFFFAOYSA-N 1 1 441.507 4.221 50 0 IIAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000096007059 569379499 /nfs/dbraw/zinc/37/94/99/569379499.db2.gz QQJLRDKXZYPOCO-HLAWJBBLSA-N 1 1 433.379 4.370 50 0 IIAAMO COc1ccc(N(Cc2cccs2)C(=O)CN2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000096124607 569385549 /nfs/dbraw/zinc/38/55/49/569385549.db2.gz VCYAKDZDXHCJCR-UHFFFAOYSA-N 1 1 441.622 4.169 50 0 IIAAMO CC[C@H](c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1-c1ccccc1)[NH+](C)C ZINC000002638499 569413445 /nfs/dbraw/zinc/41/34/45/569413445.db2.gz DOMNQLCJSIJAOU-HXUWFJFHSA-N 1 1 437.569 4.213 50 0 IIAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000057403317 569433628 /nfs/dbraw/zinc/43/36/28/569433628.db2.gz DDPDRQHNZAGKTF-JOCHJYFZSA-N 1 1 427.501 4.172 50 0 IIAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1 ZINC000058021487 569445424 /nfs/dbraw/zinc/44/54/24/569445424.db2.gz GEMKHRNAKURARR-UHFFFAOYSA-N 1 1 437.769 4.046 50 0 IIAAMO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nc(Cc4ccccc4)c(C)[nH]3)cc2)CC1 ZINC000008720178 569471493 /nfs/dbraw/zinc/47/14/93/569471493.db2.gz HYRRVXFADMOSDV-UHFFFAOYSA-N 1 1 449.624 4.182 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245328423 569503929 /nfs/dbraw/zinc/50/39/29/569503929.db2.gz OJLKOOAHACFCBL-FYYLOGMGSA-N 1 1 446.975 4.130 50 0 IIAAMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c(-c2ccccc2)nc2sccn21 ZINC000009202384 569511205 /nfs/dbraw/zinc/51/12/05/569511205.db2.gz HCRAPOFYYOIHGQ-UHFFFAOYSA-N 1 1 447.564 4.482 50 0 IIAAMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c(-c2ccccc2)nc2sccn21 ZINC000009202384 569511206 /nfs/dbraw/zinc/51/12/06/569511206.db2.gz HCRAPOFYYOIHGQ-UHFFFAOYSA-N 1 1 447.564 4.482 50 0 IIAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000009228280 569513612 /nfs/dbraw/zinc/51/36/12/569513612.db2.gz MSKWRRDBZZKIDH-UHFFFAOYSA-N 1 1 441.553 4.364 50 0 IIAAMO Cc1c(-c2ccccc2)sc2ncnc(N3CCC[N@H+](CC(=O)NC(C)(C)C)CC3)c12 ZINC000009257248 569516819 /nfs/dbraw/zinc/51/68/19/569516819.db2.gz IKKQSWJMYRGIFP-UHFFFAOYSA-N 1 1 437.613 4.094 50 0 IIAAMO Cc1c(-c2ccccc2)sc2ncnc(N3CCC[N@@H+](CC(=O)NC(C)(C)C)CC3)c12 ZINC000009257248 569516820 /nfs/dbraw/zinc/51/68/20/569516820.db2.gz IKKQSWJMYRGIFP-UHFFFAOYSA-N 1 1 437.613 4.094 50 0 IIAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@H]4C[C@@H]4c4ccccc4F)CC3)n2)cc1 ZINC000070019791 569528847 /nfs/dbraw/zinc/52/88/47/569528847.db2.gz BDJAKKTWILDDPD-YADHBBJMSA-N 1 1 448.542 4.065 50 0 IIAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC3(CC2)OCCO3)cc1 ZINC000001447652 132245579 /nfs/dbraw/zinc/24/55/79/132245579.db2.gz PZDVGXDHTIVRLV-UHFFFAOYSA-N 1 1 442.519 4.439 50 0 IIAAMO CC[NH+]1CCN(c2ncnc3c2sc2nc(-c4ccco4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000009087356 132302207 /nfs/dbraw/zinc/30/22/07/132302207.db2.gz DZLLDLYYSVRKQZ-UHFFFAOYSA-N 1 1 449.580 4.493 50 0 IIAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCN(c4nccs4)CC3)c2c1C ZINC000009613867 132323653 /nfs/dbraw/zinc/32/36/53/132323653.db2.gz RNRDLCIEYCKKCN-UHFFFAOYSA-N 1 1 442.658 4.323 50 0 IIAAMO O=S(=O)(c1ccc(Cl)s1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000009795011 132329224 /nfs/dbraw/zinc/32/92/24/132329224.db2.gz OPCUBMUDXBWUOA-UHFFFAOYSA-N 1 1 428.366 4.114 50 0 IIAAMO C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013878796 132355247 /nfs/dbraw/zinc/35/52/47/132355247.db2.gz WULBATBMMKEPSA-UUOWRZLLSA-N 1 1 449.576 4.159 50 0 IIAAMO CC(C)(C)c1ccc(OCCC[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000022791055 519040706 /nfs/dbraw/zinc/04/07/06/519040706.db2.gz PUPZDXMLTSXQQE-UHFFFAOYSA-N 1 1 427.564 4.148 50 0 IIAAMO CC(=O)N1CCc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000021004416 519630490 /nfs/dbraw/zinc/63/04/90/519630490.db2.gz UZQGTFKEUURPQX-UHFFFAOYSA-N 1 1 439.559 4.143 50 0 IIAAMO CCOc1ccc([C@@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444398 521250908 /nfs/dbraw/zinc/25/09/08/521250908.db2.gz SJWUHMNAKMLBIW-XTEPFMGCSA-N 1 1 447.575 4.446 50 0 IIAAMO COc1cc(CNCc2cccc(F)c2F)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012303968 522466223 /nfs/dbraw/zinc/46/62/23/522466223.db2.gz UNJWGLBDTJNPGM-OAQYLSRUSA-N 1 1 448.554 4.267 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036040974 523045410 /nfs/dbraw/zinc/04/54/10/523045410.db2.gz HBMRBANKSBOWFD-VWLOTQADSA-N 1 1 444.575 4.471 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036040974 523045420 /nfs/dbraw/zinc/04/54/20/523045420.db2.gz HBMRBANKSBOWFD-VWLOTQADSA-N 1 1 444.575 4.471 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCCN(C(C)=O)CC2)cc1F ZINC000012709745 523245497 /nfs/dbraw/zinc/24/54/97/523245497.db2.gz XINZYBCXGCOLLM-UHFFFAOYSA-N 1 1 436.531 4.050 50 0 IIAAMO COc1ccc(C(=O)NC[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2)cc1 ZINC000036041025 523709715 /nfs/dbraw/zinc/70/97/15/523709715.db2.gz CGJSAXVESLDUNR-DEOSSOPVSA-N 1 1 446.547 4.242 50 0 IIAAMO COc1ccc(C(=O)NC[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2)cc1 ZINC000036041025 523709721 /nfs/dbraw/zinc/70/97/21/523709721.db2.gz CGJSAXVESLDUNR-DEOSSOPVSA-N 1 1 446.547 4.242 50 0 IIAAMO COc1ccc(CC[N@H+](Cc2ccccc2)C[C@@H](O)COc2cccc(C)c2)cc1OC ZINC000034077531 523942390 /nfs/dbraw/zinc/94/23/90/523942390.db2.gz RWAPDDZKWZBSNX-XMMPIXPASA-N 1 1 435.564 4.497 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000012465077 524029318 /nfs/dbraw/zinc/02/93/18/524029318.db2.gz MJPRLFSUKLTXAY-LJQANCHMSA-N 1 1 426.557 4.021 50 0 IIAAMO COc1ccc(CNC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012555632 524068367 /nfs/dbraw/zinc/06/83/67/524068367.db2.gz VQMHMCFDADIOKV-UHFFFAOYSA-N 1 1 431.605 4.477 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000035399175 524101306 /nfs/dbraw/zinc/10/13/06/524101306.db2.gz UQEBHQFFAGSMHT-GOSISDBHSA-N 1 1 435.012 4.355 50 0 IIAAMO COc1cccc2c1OCC(C[N@@H+]1CCC[C@@H](N3CCN(c4ccccc4C)CC3)C1)=C2 ZINC000020472667 524235161 /nfs/dbraw/zinc/23/51/61/524235161.db2.gz HTDYHDOZAPDHPG-XMMPIXPASA-N 1 1 433.596 4.066 50 0 IIAAMO COc1cccc2c1OCC(C[N@H+]1CCC[C@@H](N3CCN(c4ccccc4C)CC3)C1)=C2 ZINC000020472667 524235168 /nfs/dbraw/zinc/23/51/68/524235168.db2.gz HTDYHDOZAPDHPG-XMMPIXPASA-N 1 1 433.596 4.066 50 0 IIAAMO C[C@H](NC(=S)Nc1ccc(Br)cc1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031377 525277353 /nfs/dbraw/zinc/27/73/53/525277353.db2.gz BBNVNNBGIQAVNB-JXFKEZNVSA-N 1 1 447.446 4.113 50 0 IIAAMO C[C@@H](NC(=S)Nc1cccc(Br)c1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031410 525386911 /nfs/dbraw/zinc/38/69/11/525386911.db2.gz SVUPCISOJZVYMW-UZLBHIALSA-N 1 1 447.446 4.113 50 0 IIAAMO Cc1cccn2cc(COc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)nc12 ZINC000022380590 525474800 /nfs/dbraw/zinc/47/48/00/525474800.db2.gz PODUASCLQGWGNJ-UHFFFAOYSA-N 1 1 440.547 4.180 50 0 IIAAMO COc1ccc2[nH]c(CC[N@H+](C)Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)nc2c1 ZINC000020600816 525481903 /nfs/dbraw/zinc/48/19/03/525481903.db2.gz SQIZDIKJDPYMOJ-UHFFFAOYSA-N 1 1 431.418 4.315 50 0 IIAAMO COc1ccc2[nH]c(CC[N@@H+](C)Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)nc2c1 ZINC000020600816 525481908 /nfs/dbraw/zinc/48/19/08/525481908.db2.gz SQIZDIKJDPYMOJ-UHFFFAOYSA-N 1 1 431.418 4.315 50 0 IIAAMO Cc1c([C@@H](C)[NH2+]Cc2ccc(Sc3nncn3C)o2)cnn1-c1ccc(F)cc1F ZINC000012459786 525900085 /nfs/dbraw/zinc/90/00/85/525900085.db2.gz FKCKEWOCEZHDCZ-GFCCVEGCSA-N 1 1 430.484 4.182 50 0 IIAAMO COc1cccc(C[N@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1OC ZINC000012911301 525914208 /nfs/dbraw/zinc/91/42/08/525914208.db2.gz OFQUJCXGMVYWOF-UHFFFAOYSA-N 1 1 432.520 4.395 50 0 IIAAMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1OC ZINC000012911301 525914222 /nfs/dbraw/zinc/91/42/22/525914222.db2.gz OFQUJCXGMVYWOF-UHFFFAOYSA-N 1 1 432.520 4.395 50 0 IIAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000022908225 526494685 /nfs/dbraw/zinc/49/46/85/526494685.db2.gz YXPOVGSSJQPOFD-FQEVSTJZSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000022908225 526494690 /nfs/dbraw/zinc/49/46/90/526494690.db2.gz YXPOVGSSJQPOFD-FQEVSTJZSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(NCc1cccc(F)c1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870683 526719505 /nfs/dbraw/zinc/71/95/05/526719505.db2.gz IXPQYWBERNZOIL-AZGAKELHSA-N 1 1 447.529 4.144 50 0 IIAAMO O=C(NCc1ccccc1F)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035870691 526752814 /nfs/dbraw/zinc/75/28/14/526752814.db2.gz RMMDZNHRORDELP-OZXSUGGESA-N 1 1 447.529 4.144 50 0 IIAAMO O=C1NC2(CC[NH+](Cc3ccccc3Cl)CC2)N=C1c1ccc(Br)cc1 ZINC000035430853 527059822 /nfs/dbraw/zinc/05/98/22/527059822.db2.gz OZLRHLHKTRLORG-UHFFFAOYSA-N 1 1 432.749 4.014 50 0 IIAAMO Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OC[C@H]4CCCC[N@H+]4C)cc3)c12 ZINC000036616648 527684067 /nfs/dbraw/zinc/68/40/67/527684067.db2.gz MYKWCCVBQMEYKI-LJQANCHMSA-N 1 1 433.556 4.270 50 0 IIAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1)c1ccc(F)cc1F ZINC000034681903 555815603 /nfs/dbraw/zinc/81/56/03/555815603.db2.gz SLJJPTYWWSWYBL-UHFFFAOYSA-N 1 1 440.469 4.464 50 0 IIAAMO Cc1ccc(N2CC[NH+](C[C@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1C ZINC000034685890 555821054 /nfs/dbraw/zinc/82/10/54/555821054.db2.gz FZQSOVWLOQEYED-QHCPKHFHSA-N 1 1 442.991 4.012 50 0 IIAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1cccc(OC)c1 ZINC000034740340 555883695 /nfs/dbraw/zinc/88/36/95/555883695.db2.gz MWXVFKPXFQXFIP-NZQKXSOJSA-N 1 1 430.614 4.103 50 0 IIAAMO CCCC[N@@H+](CC)CCCNC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1 ZINC000004757435 556009742 /nfs/dbraw/zinc/00/97/42/556009742.db2.gz SQXFRFNUVVQDBR-UHFFFAOYSA-N 1 1 432.634 4.150 50 0 IIAAMO COc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)C3)sc2c1 ZINC000004757530 556010003 /nfs/dbraw/zinc/01/00/03/556010003.db2.gz CQICWBGTNIQDSJ-CEXWTWQISA-N 1 1 444.645 4.006 50 0 IIAAMO C[C@@H]1C[C@@H](N2CCN(Cc3ccc(Br)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000097377126 556132109 /nfs/dbraw/zinc/13/21/09/556132109.db2.gz RZZYJTLEPWZAAW-XXBNENTESA-N 1 1 443.433 4.015 50 0 IIAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009144764 556249257 /nfs/dbraw/zinc/24/92/57/556249257.db2.gz YZTOYQSOIROUIO-UHFFFAOYSA-N 1 1 449.551 4.246 50 0 IIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000032768768 556333556 /nfs/dbraw/zinc/33/35/56/556333556.db2.gz HGWDSBCBJGIBTH-QHCPKHFHSA-N 1 1 447.535 4.018 50 0 IIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000032768768 556333558 /nfs/dbraw/zinc/33/35/58/556333558.db2.gz HGWDSBCBJGIBTH-QHCPKHFHSA-N 1 1 447.535 4.018 50 0 IIAAMO CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CCn2cc[nH+]c2CC)C1 ZINC000011664388 556345362 /nfs/dbraw/zinc/34/53/62/556345362.db2.gz CHRADXZPIFOFMY-RUZDIDTESA-N 1 1 425.573 4.030 50 0 IIAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)o1 ZINC000014019690 556356283 /nfs/dbraw/zinc/35/62/83/556356283.db2.gz BRGDSJNJCASYFH-UHFFFAOYSA-N 1 1 449.555 4.315 50 0 IIAAMO O=C(CC[C@H]1CCC[N@H+](CCCC(F)(F)F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011874441 556370530 /nfs/dbraw/zinc/37/05/30/556370530.db2.gz JTUCQPXOAUHTQE-OAQYLSRUSA-N 1 1 425.539 4.166 50 0 IIAAMO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014228345 556395727 /nfs/dbraw/zinc/39/57/27/556395727.db2.gz LFJXIVHPVLXZBV-UHFFFAOYSA-N 1 1 434.005 4.157 50 0 IIAAMO COc1ccc(OC)c([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCCC2)c1 ZINC000032622337 556409688 /nfs/dbraw/zinc/40/96/88/556409688.db2.gz NHDPELADEWYSBP-JOCHJYFZSA-N 1 1 435.524 4.316 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCCC2)cc1OC ZINC000028296053 556451310 /nfs/dbraw/zinc/45/13/10/556451310.db2.gz KNKYCCVKNXDFJN-OAQYLSRUSA-N 1 1 435.524 4.316 50 0 IIAAMO C[N@@H+]1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000030030516 556489872 /nfs/dbraw/zinc/48/98/72/556489872.db2.gz DPTNYQQNAQPNNS-RUZDIDTESA-N 1 1 440.547 4.131 50 0 IIAAMO C[N@H+]1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000030030516 556489873 /nfs/dbraw/zinc/48/98/73/556489873.db2.gz DPTNYQQNAQPNNS-RUZDIDTESA-N 1 1 440.547 4.131 50 0 IIAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000015063791 556491489 /nfs/dbraw/zinc/49/14/89/556491489.db2.gz JSGACFNCXINNLO-GOSISDBHSA-N 1 1 432.553 4.036 50 0 IIAAMO Cc1ccc2nc(OCc3ccccc3Cl)c(C[NH2+][C@@H]3CCS(=O)(=O)C3)cc2c1 ZINC000015067125 556493342 /nfs/dbraw/zinc/49/33/42/556493342.db2.gz HYDPCVBNPRSRCV-LJQANCHMSA-N 1 1 430.957 4.052 50 0 IIAAMO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015344510 556522266 /nfs/dbraw/zinc/52/22/66/556522266.db2.gz KZRWVSKPHTYNBX-WYMLVPIESA-N 1 1 426.516 4.362 50 0 IIAAMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000015856067 556557554 /nfs/dbraw/zinc/55/75/54/556557554.db2.gz COKBSDZAACUTPA-UHFFFAOYSA-N 1 1 429.967 4.036 50 0 IIAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1cc(C)ccc1C ZINC000033436919 556564283 /nfs/dbraw/zinc/56/42/83/556564283.db2.gz ROSVPAITKQQWEB-VWLOTQADSA-N 1 1 442.625 4.425 50 0 IIAAMO Cc1cc(N2CCC([N@@H+](C)CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)nc(C)n1 ZINC000072308287 556565884 /nfs/dbraw/zinc/56/58/84/556565884.db2.gz YATLELOZPCKZFO-UHFFFAOYSA-N 1 1 429.568 4.300 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000034857625 556584115 /nfs/dbraw/zinc/58/41/15/556584115.db2.gz DGWDNHUACNLQBT-NYHFZMIOSA-N 1 1 437.496 4.198 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000034857625 556584119 /nfs/dbraw/zinc/58/41/19/556584119.db2.gz DGWDNHUACNLQBT-NYHFZMIOSA-N 1 1 437.496 4.198 50 0 IIAAMO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000011754018 556651407 /nfs/dbraw/zinc/65/14/07/556651407.db2.gz PYGMBZWJEZXOTA-SANMLTNESA-N 1 1 428.567 4.289 50 0 IIAAMO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000011754018 556651409 /nfs/dbraw/zinc/65/14/09/556651409.db2.gz PYGMBZWJEZXOTA-SANMLTNESA-N 1 1 428.567 4.289 50 0 IIAAMO O=C(NCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(n2cccc2)CCCCC1 ZINC000033019403 556676075 /nfs/dbraw/zinc/67/60/75/556676075.db2.gz AMKAVCIGIQMXRB-UHFFFAOYSA-N 1 1 448.533 4.105 50 0 IIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000019229176 556717846 /nfs/dbraw/zinc/71/78/46/556717846.db2.gz ASGOESCRDRVRRQ-HXUWFJFHSA-N 1 1 426.992 4.076 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000019229175 556717882 /nfs/dbraw/zinc/71/78/82/556717882.db2.gz ASGOESCRDRVRRQ-FQEVSTJZSA-N 1 1 426.992 4.076 50 0 IIAAMO COc1cc(CN(C)Cc2nc(C)cs2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000055131871 556735612 /nfs/dbraw/zinc/73/56/12/556735612.db2.gz LYHVPHNXZGRYRQ-NRFANRHFSA-N 1 1 447.645 4.096 50 0 IIAAMO CC(C)c1nc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)cs1 ZINC000055310664 556740145 /nfs/dbraw/zinc/74/01/45/556740145.db2.gz GSDKCMWRUKEVLN-LJQANCHMSA-N 1 1 433.021 4.347 50 0 IIAAMO CCOc1ccccc1Oc1ccc(CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000058155735 556762507 /nfs/dbraw/zinc/76/25/07/556762507.db2.gz RYXYZZCCHGBDTN-IBGZPJMESA-N 1 1 426.561 4.336 50 0 IIAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc43)CC2)C[C@H](C)O1 ZINC000058342814 556782129 /nfs/dbraw/zinc/78/21/29/556782129.db2.gz YNHGJBWDMJFRPQ-KDURUIRLSA-N 1 1 433.552 4.456 50 0 IIAAMO O=C(c1csc(-c2cccc(Cl)c2)n1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000060100853 556806627 /nfs/dbraw/zinc/80/66/27/556806627.db2.gz ZDEWQYOQPICRQV-UHFFFAOYSA-N 1 1 447.910 4.190 50 0 IIAAMO Cc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](Cc4ccc(Cl)cc4)CC3)no2)nc1 ZINC000033069230 556850733 /nfs/dbraw/zinc/85/07/33/556850733.db2.gz FWYWHEGTYRXDHJ-UHFFFAOYSA-N 1 1 437.931 4.287 50 0 IIAAMO Cc1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4ccc(Cl)cc4)CC3)no2)nc1 ZINC000033069230 556850735 /nfs/dbraw/zinc/85/07/35/556850735.db2.gz FWYWHEGTYRXDHJ-UHFFFAOYSA-N 1 1 437.931 4.287 50 0 IIAAMO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c(C)c1 ZINC000019879897 556936889 /nfs/dbraw/zinc/93/68/89/556936889.db2.gz WIUZYCLKMQWEOH-VWLOTQADSA-N 1 1 444.575 4.096 50 0 IIAAMO Cc1ccc(Cl)c(OCn2ccc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)n2)c1 ZINC000020028698 556967887 /nfs/dbraw/zinc/96/78/87/556967887.db2.gz DVNVFJPLOUWGJV-UHFFFAOYSA-N 1 1 438.959 4.148 50 0 IIAAMO Brc1cccc(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3n2)c1 ZINC000020149824 556990941 /nfs/dbraw/zinc/99/09/41/556990941.db2.gz QSNDOLWPHAOKLE-UHFFFAOYSA-N 1 1 425.330 4.051 50 0 IIAAMO CCOC(=O)COc1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000020167732 556994305 /nfs/dbraw/zinc/99/43/05/556994305.db2.gz ZBYOQRZAOXAQTN-UHFFFAOYSA-N 1 1 432.520 4.269 50 0 IIAAMO Cc1cccc(-n2cc(C[N@@H+]3CCC[C@@H](c4nncn4C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000020233827 557002034 /nfs/dbraw/zinc/00/20/34/557002034.db2.gz VVVKUNWFEDGICD-HXUWFJFHSA-N 1 1 430.531 4.495 50 0 IIAAMO O=C([C@@H]1CC(c2ccccc2F)=NO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020328156 557008099 /nfs/dbraw/zinc/00/80/99/557008099.db2.gz CIOLNALRFDAQJG-VWLOTQADSA-N 1 1 443.522 4.253 50 0 IIAAMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000048235258 557046878 /nfs/dbraw/zinc/04/68/78/557046878.db2.gz OVIMEPFOKPMGPG-AZUAARDMSA-N 1 1 439.581 4.090 50 0 IIAAMO COc1ccc(CN2CC[NH+](CCOc3cc(C)ccc3C(C)C)CC2)c(OC)c1OC ZINC000022942779 557054408 /nfs/dbraw/zinc/05/44/08/557054408.db2.gz KWLUWMPUFNVIMJ-UHFFFAOYSA-N 1 1 442.600 4.341 50 0 IIAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000022972400 557055273 /nfs/dbraw/zinc/05/52/73/557055273.db2.gz VPDJBHYOCJXJRQ-RUZDIDTESA-N 1 1 449.595 4.095 50 0 IIAAMO Clc1ccc(-c2cc3ncnc(NC[C@H]([C@@H]4CCOC4)[NH+]4CCOCC4)c3s2)cc1 ZINC000048326450 557068675 /nfs/dbraw/zinc/06/86/75/557068675.db2.gz XDWOEZCPXKWZRE-VQIMIIECSA-N 1 1 444.988 4.161 50 0 IIAAMO OCC[C@H]1CN(Cc2cnc(-c3cccc4ccccc43)nc2)CC[N@H+]1Cc1ccccc1 ZINC000023358711 557087638 /nfs/dbraw/zinc/08/76/38/557087638.db2.gz IBAIJXUUIMOQMS-VWLOTQADSA-N 1 1 438.575 4.366 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCC2)cc1 ZINC000023487299 557094928 /nfs/dbraw/zinc/09/49/28/557094928.db2.gz HSSTVLSZNFDQCJ-LJQANCHMSA-N 1 1 426.900 4.022 50 0 IIAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)[nH+]1 ZINC000033326734 557108711 /nfs/dbraw/zinc/10/87/11/557108711.db2.gz KAYVRMJSAWLIAB-UHFFFAOYSA-N 1 1 440.454 4.287 50 0 IIAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+](C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000011373170 557130208 /nfs/dbraw/zinc/13/02/08/557130208.db2.gz KLMZHLTVRLYRAW-VWLOTQADSA-N 1 1 435.499 4.453 50 0 IIAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@@H+](C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000011373170 557130211 /nfs/dbraw/zinc/13/02/11/557130211.db2.gz KLMZHLTVRLYRAW-VWLOTQADSA-N 1 1 435.499 4.453 50 0 IIAAMO COc1ccc(OCC[N@H+](C)CC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000011432546 557147422 /nfs/dbraw/zinc/14/74/22/557147422.db2.gz CDBUYGUAMWKCBU-QHCPKHFHSA-N 1 1 442.606 4.303 50 0 IIAAMO COc1ccc(OCC[N@@H+](C)CC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000011432546 557147426 /nfs/dbraw/zinc/14/74/26/557147426.db2.gz CDBUYGUAMWKCBU-QHCPKHFHSA-N 1 1 442.606 4.303 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000024984682 557185801 /nfs/dbraw/zinc/18/58/01/557185801.db2.gz ACOSYRUVYCJHFF-CQSZACIVSA-N 1 1 446.569 4.278 50 0 IIAAMO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025063475 557193597 /nfs/dbraw/zinc/19/35/97/557193597.db2.gz MQQFXKTXOLNCET-OAQYLSRUSA-N 1 1 442.563 4.130 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000027668225 557270892 /nfs/dbraw/zinc/27/08/92/557270892.db2.gz NDMUQUDWGOXJPL-FQEVSTJZSA-N 1 1 440.927 4.412 50 0 IIAAMO O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104916697 557465209 /nfs/dbraw/zinc/46/52/09/557465209.db2.gz VWOUUVXVJDQPNA-FYYLOGMGSA-N 1 1 443.513 4.095 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000105051317 557474751 /nfs/dbraw/zinc/47/47/51/557474751.db2.gz JYPNQLAITXMONF-UKILVPOCSA-N 1 1 426.576 4.481 50 0 IIAAMO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000106361766 557528563 /nfs/dbraw/zinc/52/85/63/557528563.db2.gz PMMZAHXHLUYXPI-VQTJNVASSA-N 1 1 438.616 4.037 50 0 IIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)n2)C1 ZINC000045946317 557550862 /nfs/dbraw/zinc/55/08/62/557550862.db2.gz YOEUYHCDYHJINY-HZPDHXFCSA-N 1 1 436.622 4.207 50 0 IIAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)c1 ZINC000225680314 557762312 /nfs/dbraw/zinc/76/23/12/557762312.db2.gz ANMBKKVWLORXHL-DYESRHJHSA-N 1 1 433.560 4.003 50 0 IIAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000004302281 562943077 /nfs/dbraw/zinc/94/30/77/562943077.db2.gz URXXWCUIYWGBRM-RFLWCCGPSA-N 1 1 436.552 4.339 50 0 IIAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000004302281 562943079 /nfs/dbraw/zinc/94/30/79/562943079.db2.gz URXXWCUIYWGBRM-RFLWCCGPSA-N 1 1 436.552 4.339 50 0 IIAAMO COc1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c(OC)c1 ZINC000008590200 562951541 /nfs/dbraw/zinc/95/15/41/562951541.db2.gz PDKKKGNFXKGJLJ-OAHLLOKOSA-N 1 1 440.569 4.427 50 0 IIAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000023374162 568613886 /nfs/dbraw/zinc/61/38/86/568613886.db2.gz LDBZFFJBIMVVAT-OAQYLSRUSA-N 1 1 447.501 4.221 50 0 IIAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000023374162 568613889 /nfs/dbraw/zinc/61/38/89/568613889.db2.gz LDBZFFJBIMVVAT-OAQYLSRUSA-N 1 1 447.501 4.221 50 0 IIAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 ZINC000104054484 568622297 /nfs/dbraw/zinc/62/22/97/568622297.db2.gz KQAFMCZKNKXFKS-ISKFKSNPSA-N 1 1 449.595 4.217 50 0 IIAAMO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)NCC[N@@H+](Cc1ccccc1)C(C)C ZINC000015727618 568812705 /nfs/dbraw/zinc/81/27/05/568812705.db2.gz FZNIAVLEMSTKQE-UHFFFAOYSA-N 1 1 435.572 4.162 50 0 IIAAMO CC[NH+]1CCN(C(=O)Cn2c3cc(Cl)c(Cl)cc3nc2Cc2ccccc2)CC1 ZINC000085405810 568817849 /nfs/dbraw/zinc/81/78/49/568817849.db2.gz SARVEMZJBPQFCV-UHFFFAOYSA-N 1 1 431.367 4.098 50 0 IIAAMO COc1ccc(-n2c(=O)c3ccccc3nc2SCC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000013009585 568899869 /nfs/dbraw/zinc/89/98/69/568899869.db2.gz BUGHFCWYOTYGSN-KRWDZBQOSA-N 1 1 439.581 4.369 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)Cc2ccccc2)c1OC ZINC000036103730 568953003 /nfs/dbraw/zinc/95/30/03/568953003.db2.gz NOVWJTGQGJLUPT-JOCHJYFZSA-N 1 1 435.520 4.038 50 0 IIAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COC(C)C)C2)cc1 ZINC000036146212 568962174 /nfs/dbraw/zinc/96/21/74/568962174.db2.gz UIFVZWRJBBORRM-GGAORHGYSA-N 1 1 446.975 4.130 50 0 IIAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064814506 568964056 /nfs/dbraw/zinc/96/40/56/568964056.db2.gz IZQNYZMFLMYGIH-UHFFFAOYSA-N 1 1 445.495 4.208 50 0 IIAAMO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000064820222 568966935 /nfs/dbraw/zinc/96/69/35/568966935.db2.gz QXDGJTWLGHZQIB-LBPRGKRZSA-N 1 1 426.380 4.326 50 0 IIAAMO CCCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036250760 568984227 /nfs/dbraw/zinc/98/42/27/568984227.db2.gz NYWLKWARCGDUGP-FQEVSTJZSA-N 1 1 440.415 4.178 50 0 IIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O ZINC000036308882 568995689 /nfs/dbraw/zinc/99/56/89/568995689.db2.gz UNCAJBSARARORS-AVRDEDQJSA-N 1 1 430.614 4.079 50 0 IIAAMO CCN(CC)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310764 568996890 /nfs/dbraw/zinc/99/68/90/568996890.db2.gz SQEJFSNXGMHMLA-HSZRJFAPSA-N 1 1 428.621 4.387 50 0 IIAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)CC(C)C ZINC000036312147 568997531 /nfs/dbraw/zinc/99/75/31/568997531.db2.gz OVVIVOWGIUMPOG-SFHVURJKSA-N 1 1 430.568 4.406 50 0 IIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](CCOC)C[C@H](C)O ZINC000036316367 568999869 /nfs/dbraw/zinc/99/98/69/568999869.db2.gz JHIZVZQTAXTVGK-IBGZPJMESA-N 1 1 439.556 4.065 50 0 IIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](CCOC)C[C@H](C)O ZINC000036316367 568999870 /nfs/dbraw/zinc/99/98/70/568999870.db2.gz JHIZVZQTAXTVGK-IBGZPJMESA-N 1 1 439.556 4.065 50 0 IIAAMO Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342511 569079460 /nfs/dbraw/zinc/07/94/60/569079460.db2.gz OOJIOURNGAQELJ-RUZDIDTESA-N 1 1 447.579 4.128 50 0 IIAAMO CC(=O)Nc1ccc(SCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000036397452 569100454 /nfs/dbraw/zinc/10/04/54/569100454.db2.gz MDJXRJZBTTULGJ-GOSISDBHSA-N 1 1 425.598 4.285 50 0 IIAAMO Cc1ccc(-c2ncc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c(-c3ccncc3)n2)cc1 ZINC000065153920 569112206 /nfs/dbraw/zinc/11/22/06/569112206.db2.gz JGNCHWUDNYFKQN-UHFFFAOYSA-N 1 1 449.558 4.302 50 0 IIAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[N@@H+](Cc3ccco3)C3CCCC3)c21 ZINC000007001335 569117548 /nfs/dbraw/zinc/11/75/48/569117548.db2.gz NOLVBGMNMOABHG-UHFFFAOYSA-N 1 1 426.517 4.466 50 0 IIAAMO C[C@@H](Oc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cn1)c1ccccc1 ZINC000065565681 569139380 /nfs/dbraw/zinc/13/93/80/569139380.db2.gz MJPHEEVYFKBFCL-HXUWFJFHSA-N 1 1 430.552 4.221 50 0 IIAAMO C[C@@H]1CCCCN1C(=O)c1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000252452608 569184285 /nfs/dbraw/zinc/18/42/85/569184285.db2.gz QYCFUCZZNWMFKY-LEWJYISDSA-N 1 1 428.621 4.013 50 0 IIAAMO O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000002250486 569213820 /nfs/dbraw/zinc/21/38/20/569213820.db2.gz LNVMLYFVPHQNEA-UHFFFAOYSA-N 1 1 431.536 4.244 50 0 IIAAMO O=C(NCCc1ccccc1)c1nnc(-c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)o1 ZINC000013364282 569314206 /nfs/dbraw/zinc/31/42/06/569314206.db2.gz WAJOCMBHIRPAHW-UHFFFAOYSA-N 1 1 438.531 4.267 50 0 IIAAMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000328591880 569317118 /nfs/dbraw/zinc/31/71/18/569317118.db2.gz FQUZMGWCIQAYAS-UHFFFAOYSA-N 1 1 449.452 4.019 50 0 IIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000079192837 569328158 /nfs/dbraw/zinc/32/81/58/569328158.db2.gz SJWVKPJGYIXVJM-SQJMNOBHSA-N 1 1 429.564 4.044 50 0 biogenic IIAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020284080 569358876 /nfs/dbraw/zinc/35/88/76/569358876.db2.gz HJDYSJLIBXYCGH-QHCPKHFHSA-N 1 1 437.540 4.286 50 0 IIAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020284080 569358877 /nfs/dbraw/zinc/35/88/77/569358877.db2.gz HJDYSJLIBXYCGH-QHCPKHFHSA-N 1 1 437.540 4.286 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020284080 569358879 /nfs/dbraw/zinc/35/88/79/569358879.db2.gz HJDYSJLIBXYCGH-QHCPKHFHSA-N 1 1 437.540 4.286 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020284080 569358881 /nfs/dbraw/zinc/35/88/81/569358881.db2.gz HJDYSJLIBXYCGH-QHCPKHFHSA-N 1 1 437.540 4.286 50 0 IIAAMO Cc1cc2sc(N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)nc2c(C)c1 ZINC000020383659 569362730 /nfs/dbraw/zinc/36/27/30/569362730.db2.gz AJHMDAUJOVNGLR-UHFFFAOYSA-N 1 1 448.636 4.474 50 0 IIAAMO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H]([NH2+]C1CCN(C3CC3)CC1)c1ccccc1O2 ZINC000095455514 569368578 /nfs/dbraw/zinc/36/85/78/569368578.db2.gz ODSHSRYFLRJJFN-SQJMNOBHSA-N 1 1 427.589 4.106 50 0 IIAAMO CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@@](C)(O)c2ccco2)cc1)C[C@@H]1CCCCO1 ZINC000095460787 569369760 /nfs/dbraw/zinc/36/97/60/569369760.db2.gz FLAHRBOCEODRJK-XUZZJYLKSA-N 1 1 429.561 4.088 50 0 IIAAMO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000095947443 569376438 /nfs/dbraw/zinc/37/64/38/569376438.db2.gz FWQNTUUZWCWWAX-LJQANCHMSA-N 1 1 444.004 4.005 50 0 IIAAMO O=C(NCCc1cccs1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096457214 569400698 /nfs/dbraw/zinc/40/06/98/569400698.db2.gz UEDKFWSYNSLDHS-UKILVPOCSA-N 1 1 449.595 4.109 50 0 IIAAMO CCOc1cc(C(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc(OCC)c1OCC ZINC000225686920 569407188 /nfs/dbraw/zinc/40/71/88/569407188.db2.gz WSHSGPRXLKBUIJ-JOCHJYFZSA-N 1 1 438.568 4.156 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1c2cccc1Cl ZINC000057151234 569429874 /nfs/dbraw/zinc/42/98/74/569429874.db2.gz QUYRBEYFUJAIEK-IEROGBPDSA-N 1 1 446.334 4.272 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1c2cccc1Cl ZINC000057151234 569429877 /nfs/dbraw/zinc/42/98/77/569429877.db2.gz QUYRBEYFUJAIEK-IEROGBPDSA-N 1 1 446.334 4.272 50 0 IIAAMO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000057380571 569432683 /nfs/dbraw/zinc/43/26/83/569432683.db2.gz JDQFXJSLWGFWPP-UHFFFAOYSA-N 1 1 428.941 4.061 50 0 IIAAMO O=C(Nc1cc2ccccc2cc1C(=O)N1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000057473815 569435786 /nfs/dbraw/zinc/43/57/86/569435786.db2.gz VOHKFJBQMUGNTO-UHFFFAOYSA-N 1 1 427.548 4.189 50 0 IIAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000003048406 569438807 /nfs/dbraw/zinc/43/88/07/569438807.db2.gz GTPLVJBRTJEFTJ-VWLOTQADSA-N 1 1 433.596 4.463 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)c(C)sc2NC(=O)c2ccc(OC)cc2)C1 ZINC000008763682 569474582 /nfs/dbraw/zinc/47/45/82/569474582.db2.gz NAQALVNNGWXGJD-GOSISDBHSA-N 1 1 430.570 4.401 50 0 IIAAMO C[NH+]1CCN([C@H](CNC(=O)Nc2cccnc2Oc2ccccc2)c2cccs2)CC1 ZINC000040121145 569489528 /nfs/dbraw/zinc/48/95/28/569489528.db2.gz SHGPMQFLSJDTSW-HXUWFJFHSA-N 1 1 437.569 4.046 50 0 IIAAMO Cc1cccc([S@@](=O)Cc2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)o2)c1 ZINC000009115384 569502714 /nfs/dbraw/zinc/50/27/14/569502714.db2.gz JMPFECKJUPEYRC-WJOKGBTCSA-N 1 1 436.577 4.074 50 0 IIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OCc1ccccc1 ZINC000009235278 569514036 /nfs/dbraw/zinc/51/40/36/569514036.db2.gz HGJYQVNNOQTYKL-JOCHJYFZSA-N 1 1 435.549 4.178 50 0 IIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OCc1ccccc1 ZINC000009235278 569514037 /nfs/dbraw/zinc/51/40/37/569514037.db2.gz HGJYQVNNOQTYKL-JOCHJYFZSA-N 1 1 435.549 4.178 50 0 IIAAMO CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2F)CC1 ZINC000009265360 569517376 /nfs/dbraw/zinc/51/73/76/569517376.db2.gz ZMDPHDSCCAYSTK-UHFFFAOYSA-N 1 1 427.451 4.131 50 0 IIAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009388947 569528600 /nfs/dbraw/zinc/52/86/00/569528600.db2.gz XKJKUQZMKYQRAX-QGZVFWFLSA-N 1 1 431.492 4.299 50 0 IIAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009388947 569528601 /nfs/dbraw/zinc/52/86/01/569528601.db2.gz XKJKUQZMKYQRAX-QGZVFWFLSA-N 1 1 431.492 4.299 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000009514626 569543179 /nfs/dbraw/zinc/54/31/79/569543179.db2.gz ZLOSQNQTXOSEHV-MRXNPFEDSA-N 1 1 434.565 4.007 50 0 IIAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000009514626 569543180 /nfs/dbraw/zinc/54/31/80/569543180.db2.gz ZLOSQNQTXOSEHV-MRXNPFEDSA-N 1 1 434.565 4.007 50 0 IIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2nnnn2-c2ccccc2)n1 ZINC000009912906 569573284 /nfs/dbraw/zinc/57/32/84/569573284.db2.gz NMCGLSAURHEZFB-UHFFFAOYSA-N 1 1 425.587 4.277 50 0 IIAAMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(I)cc2)c1 ZINC000010225965 569579264 /nfs/dbraw/zinc/57/92/64/569579264.db2.gz JNGYSSGITCIMTM-GOSISDBHSA-N 1 1 436.293 4.075 50 0 IIAAMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(I)cc2)c1 ZINC000010225965 569579265 /nfs/dbraw/zinc/57/92/65/569579265.db2.gz JNGYSSGITCIMTM-GOSISDBHSA-N 1 1 436.293 4.075 50 0 IIAAMO COc1cc(COCC2CC[NH+](CC(=O)Nc3cccc(Cl)c3)CC2)cc(OC)c1 ZINC000077191426 569585951 /nfs/dbraw/zinc/58/59/51/569585951.db2.gz XDDVXKYPNRJZBQ-UHFFFAOYSA-N 1 1 432.948 4.225 50 0 IIAAMO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+](C)CCC ZINC000035991202 569587773 /nfs/dbraw/zinc/58/77/73/569587773.db2.gz BVKMIEHVOIXSEG-IBGZPJMESA-N 1 1 440.371 4.405 50 0 IIAAMO COc1ccc(F)cc1C[NH+]1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000013117884 132345120 /nfs/dbraw/zinc/34/51/20/132345120.db2.gz FORWAAHXDWVLDS-UHFFFAOYSA-N 1 1 429.499 4.162 50 0 IIAAMO C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013878794 132355228 /nfs/dbraw/zinc/35/52/28/132355228.db2.gz WULBATBMMKEPSA-MHECFPHRSA-N 1 1 449.576 4.159 50 0 IIAAMO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000020540138 519022906 /nfs/dbraw/zinc/02/29/06/519022906.db2.gz LTTFUUJKOWLYKN-LJQANCHMSA-N 1 1 427.614 4.372 50 0 IIAAMO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000020540138 519022910 /nfs/dbraw/zinc/02/29/10/519022910.db2.gz LTTFUUJKOWLYKN-LJQANCHMSA-N 1 1 427.614 4.372 50 0 IIAAMO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012790092 519798451 /nfs/dbraw/zinc/79/84/51/519798451.db2.gz JIQLBFJVNAZTSG-WOJBJXKFSA-N 1 1 436.383 4.167 50 0 IIAAMO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000013048991 519820017 /nfs/dbraw/zinc/82/00/17/519820017.db2.gz UNNCITIJUFOXEZ-NQIIRXRSSA-N 1 1 448.394 4.139 50 0 IIAAMO CCCOc1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000040930040 520354031 /nfs/dbraw/zinc/35/40/31/520354031.db2.gz VYFIETGNXDIVSX-UHFFFAOYSA-N 1 1 434.540 4.054 50 0 IIAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000012711183 520457487 /nfs/dbraw/zinc/45/74/87/520457487.db2.gz DUFRKIILLAPVCP-UHFFFAOYSA-N 1 1 433.552 4.487 50 0 IIAAMO CC[N@@H+](CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1)Cc1ccccc1 ZINC000020980665 521021320 /nfs/dbraw/zinc/02/13/20/521021320.db2.gz YWZXBPQZNFKPOS-UHFFFAOYSA-N 1 1 445.542 4.444 50 0 IIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(CC(C)C)on1 ZINC000012572313 521220317 /nfs/dbraw/zinc/22/03/17/521220317.db2.gz CSTKXBLNEASBAR-OAQYLSRUSA-N 1 1 427.589 4.299 50 0 IIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1n[nH]c2ccc(C)cc21 ZINC000012444610 521220468 /nfs/dbraw/zinc/22/04/68/521220468.db2.gz WRLDCXBFMFNRKW-OAQYLSRUSA-N 1 1 434.584 4.297 50 0 IIAAMO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1[nH]nc2ccc(C)cc21 ZINC000012444610 521220478 /nfs/dbraw/zinc/22/04/78/521220478.db2.gz WRLDCXBFMFNRKW-OAQYLSRUSA-N 1 1 434.584 4.297 50 0 IIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1[nH]nc2ccc(C)cc21 ZINC000012444610 521220485 /nfs/dbraw/zinc/22/04/85/521220485.db2.gz WRLDCXBFMFNRKW-OAQYLSRUSA-N 1 1 434.584 4.297 50 0 IIAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012579588 521356682 /nfs/dbraw/zinc/35/66/82/521356682.db2.gz MAZPNMZUYFHQQM-DEOSSOPVSA-N 1 1 439.581 4.330 50 0 IIAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000035925682 521541097 /nfs/dbraw/zinc/54/10/97/521541097.db2.gz FYGPRIAHEMLHBE-UHFFFAOYSA-N 1 1 426.568 4.480 50 0 IIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)sc2C1 ZINC000021294767 521725008 /nfs/dbraw/zinc/72/50/08/521725008.db2.gz JGULOODJWUQLJG-UHFFFAOYSA-N 1 1 427.551 4.273 50 0 IIAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)sc2C1 ZINC000021294767 521725009 /nfs/dbraw/zinc/72/50/09/521725009.db2.gz JGULOODJWUQLJG-UHFFFAOYSA-N 1 1 427.551 4.273 50 0 IIAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=S)NC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036043255 523048280 /nfs/dbraw/zinc/04/82/80/523048280.db2.gz GUGWXKDUQGFROS-KOSHJBKYSA-N 1 1 441.641 4.373 50 0 IIAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000020906333 523640439 /nfs/dbraw/zinc/64/04/39/523640439.db2.gz RVZLDVHIPVOFGG-JOCHJYFZSA-N 1 1 449.565 4.325 50 0 IIAAMO CCn1nc(C)c(CN2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000020906333 523640450 /nfs/dbraw/zinc/64/04/50/523640450.db2.gz RVZLDVHIPVOFGG-JOCHJYFZSA-N 1 1 449.565 4.325 50 0 IIAAMO CCc1c(C(=O)NCc2ccccc2C(F)(F)F)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000012219155 523696402 /nfs/dbraw/zinc/69/64/02/523696402.db2.gz RHJDYPUNSNTBNV-SFHVURJKSA-N 1 1 449.517 4.152 50 0 IIAAMO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022784988 523734245 /nfs/dbraw/zinc/73/42/45/523734245.db2.gz VYXYANQBSOESGI-NLFFAJNJSA-N 1 1 449.620 4.434 50 0 IIAAMO COCCN(Cc1csc(C(C)=O)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012429686 523773111 /nfs/dbraw/zinc/77/31/11/523773111.db2.gz OBOGXSPKNLANBL-FQEVSTJZSA-N 1 1 426.626 4.279 50 0 IIAAMO COc1cccc2c1OCC(C[N@H+]1CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C1)=C2 ZINC000012764390 524234841 /nfs/dbraw/zinc/23/48/41/524234841.db2.gz LMEIHWVCYYNHBX-OAQYLSRUSA-N 1 1 444.535 4.007 50 0 IIAAMO Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 ZINC000020452288 524448202 /nfs/dbraw/zinc/44/82/02/524448202.db2.gz WORNQRHTIKXJKP-HSZRJFAPSA-N 1 1 425.642 4.393 50 0 IIAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3OC(F)F)[N@H+]3CCC[C@@]23C1=O ZINC000012459828 524456091 /nfs/dbraw/zinc/45/60/91/524456091.db2.gz YRCQLRQDBXPISL-KDLAUNOPSA-N 1 1 428.479 4.235 50 0 IIAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000012911382 525103807 /nfs/dbraw/zinc/10/38/07/525103807.db2.gz ULRBRDDTKXDNLD-SJLPKXTDSA-N 1 1 437.565 4.124 50 0 IIAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000012911382 525103817 /nfs/dbraw/zinc/10/38/17/525103817.db2.gz ULRBRDDTKXDNLD-SJLPKXTDSA-N 1 1 437.565 4.124 50 0 IIAAMO Cc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000013056045 525130007 /nfs/dbraw/zinc/13/00/07/525130007.db2.gz HPRGUMLHCVUNEO-QGZVFWFLSA-N 1 1 435.490 4.309 50 0 IIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)n2)C1 ZINC000022296248 525212604 /nfs/dbraw/zinc/21/26/04/525212604.db2.gz HBYLPXKALHCSJS-LBTNJELSSA-N 1 1 430.599 4.063 50 0 IIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012759864 525212822 /nfs/dbraw/zinc/21/28/22/525212822.db2.gz YBBLFYMJWBEQQZ-ZIAGYGMSSA-N 1 1 438.391 4.401 50 0 IIAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000022914449 525223108 /nfs/dbraw/zinc/22/31/08/525223108.db2.gz ZYRPWXBTRASGAR-RUZDIDTESA-N 1 1 429.612 4.182 50 0 IIAAMO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000022914449 525223113 /nfs/dbraw/zinc/22/31/13/525223113.db2.gz ZYRPWXBTRASGAR-RUZDIDTESA-N 1 1 429.612 4.182 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000022295222 525386580 /nfs/dbraw/zinc/38/65/80/525386580.db2.gz DLSOYNIVDJYXRY-CALCHBBNSA-N 1 1 442.629 4.287 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000022295222 525386588 /nfs/dbraw/zinc/38/65/88/525386588.db2.gz DLSOYNIVDJYXRY-CALCHBBNSA-N 1 1 442.629 4.287 50 0 IIAAMO Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CC[NH+](Cc2ccc(F)cc2F)CC3)cc1 ZINC000012098519 525415961 /nfs/dbraw/zinc/41/59/61/525415961.db2.gz JOJJPXDSNHZHJO-JOCHJYFZSA-N 1 1 428.523 4.413 50 0 IIAAMO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)sc2ncnc(NC3CCCC3)c12 ZINC000012211981 525647391 /nfs/dbraw/zinc/64/73/91/525647391.db2.gz BKSPUECVFRMPJT-IBGZPJMESA-N 1 1 435.597 4.359 50 0 IIAAMO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCCC[N@@H+]4C)c3n2)cc1 ZINC000021789074 525731915 /nfs/dbraw/zinc/73/19/15/525731915.db2.gz WHNDBNVHEBJKAL-MRXNPFEDSA-N 1 1 432.446 4.365 50 0 IIAAMO Cc1c(NC(=O)C[NH+]2CCC(CCc3ccc(C)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000012332486 525834833 /nfs/dbraw/zinc/83/48/33/525834833.db2.gz LDNGXVSWKSQNOI-UHFFFAOYSA-N 1 1 446.595 4.076 50 0 IIAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000012761688 525968630 /nfs/dbraw/zinc/96/86/30/525968630.db2.gz AGXIIAPREQWHEN-LJQANCHMSA-N 1 1 434.540 4.054 50 0 IIAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000012761688 525968639 /nfs/dbraw/zinc/96/86/39/525968639.db2.gz AGXIIAPREQWHEN-LJQANCHMSA-N 1 1 434.540 4.054 50 0 IIAAMO Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)N3CC[NH+](C)CC3)c(=O)oc12 ZINC000020624253 525997550 /nfs/dbraw/zinc/99/75/50/525997550.db2.gz FPHMDGWNCJWHNC-UHFFFAOYSA-N 1 1 448.494 4.279 50 0 IIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036033827 526040217 /nfs/dbraw/zinc/04/02/17/526040217.db2.gz CYLQRASCHMCPPP-NLFFAJNJSA-N 1 1 428.536 4.367 50 0 IIAAMO COc1cccc(N2C[C@H](C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)CC2=O)c1 ZINC000036724267 526163900 /nfs/dbraw/zinc/16/39/00/526163900.db2.gz QRFYASHEHYQDFR-HXUWFJFHSA-N 1 1 435.568 4.451 50 0 IIAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000012793077 526169235 /nfs/dbraw/zinc/16/92/35/526169235.db2.gz GEHGMJXNNXIGJT-UHFFFAOYSA-N 1 1 438.753 4.310 50 0 IIAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000012793077 526169242 /nfs/dbraw/zinc/16/92/42/526169242.db2.gz GEHGMJXNNXIGJT-UHFFFAOYSA-N 1 1 438.753 4.310 50 0 IIAAMO CSc1ncc(Cl)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020500956 526221527 /nfs/dbraw/zinc/22/15/27/526221527.db2.gz OOHHJYQYZSPKRS-UHFFFAOYSA-N 1 1 438.984 4.399 50 0 IIAAMO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc12 ZINC000012785656 526290946 /nfs/dbraw/zinc/29/09/46/526290946.db2.gz WTFNTIBQGOLDQA-GOSISDBHSA-N 1 1 426.517 4.219 50 0 IIAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)NCCCc1ccncc1 ZINC000020906109 526495784 /nfs/dbraw/zinc/49/57/84/526495784.db2.gz MBEJAVWIJMWJNE-VWLOTQADSA-N 1 1 433.527 4.296 50 0 IIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035894124 527203821 /nfs/dbraw/zinc/20/38/21/527203821.db2.gz UYUUSTHGNKNXCK-NOZRDPDXSA-N 1 1 433.502 4.467 50 0 IIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 ZINC000020649063 527672564 /nfs/dbraw/zinc/67/25/64/527672564.db2.gz MJAFHKYCSQVDHI-UHFFFAOYSA-N 1 1 446.576 4.206 50 0 IIAAMO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012300865 527699927 /nfs/dbraw/zinc/69/99/27/527699927.db2.gz FMBPQRZSJBQFTJ-INIZCTEOSA-N 1 1 442.995 4.287 50 0 IIAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000034668503 555792348 /nfs/dbraw/zinc/79/23/48/555792348.db2.gz IXFHVRRXDYRPLB-UHFFFAOYSA-N 1 1 433.527 4.087 50 0 IIAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3cccs3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681925 555815733 /nfs/dbraw/zinc/81/57/33/555815733.db2.gz YDUFUNQCAQZALR-UHFFFAOYSA-N 1 1 428.508 4.386 50 0 IIAAMO COc1cc(C(=O)N(CCc2ccccc2)C2=C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1OC ZINC000004257203 555979396 /nfs/dbraw/zinc/97/93/96/555979396.db2.gz JSBSWTSUJPJWAN-RTWAWAEBSA-N 1 1 436.552 4.148 50 0 IIAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000008838279 556226369 /nfs/dbraw/zinc/22/63/69/556226369.db2.gz NMECJSGEUJSGGT-SFHVURJKSA-N 1 1 425.535 4.446 50 0 IIAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 ZINC000008838279 556226371 /nfs/dbraw/zinc/22/63/71/556226371.db2.gz NMECJSGEUJSGGT-SFHVURJKSA-N 1 1 425.535 4.446 50 0 IIAAMO COc1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000097546837 556247365 /nfs/dbraw/zinc/24/73/65/556247365.db2.gz LLNXKKJMOBFZOZ-NBGIEHNGSA-N 1 1 449.620 4.434 50 0 IIAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000011662696 556343997 /nfs/dbraw/zinc/34/39/97/556343997.db2.gz ROKIMKNFDNEECF-MRXNPFEDSA-N 1 1 435.553 4.230 50 0 IIAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000011662696 556344001 /nfs/dbraw/zinc/34/40/01/556344001.db2.gz ROKIMKNFDNEECF-MRXNPFEDSA-N 1 1 435.553 4.230 50 0 IIAAMO COc1ccccc1-c1cc(C(=O)N(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)[nH]n1 ZINC000011819276 556361470 /nfs/dbraw/zinc/36/14/70/556361470.db2.gz GCZVFIPZEJTYAZ-NRFANRHFSA-N 1 1 432.568 4.255 50 0 IIAAMO COc1ccccc1-c1cc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000011819276 556361473 /nfs/dbraw/zinc/36/14/73/556361473.db2.gz GCZVFIPZEJTYAZ-NRFANRHFSA-N 1 1 432.568 4.255 50 0 IIAAMO COc1ccccc1-c1cc(C(=O)N(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000011819276 556361478 /nfs/dbraw/zinc/36/14/78/556361478.db2.gz GCZVFIPZEJTYAZ-NRFANRHFSA-N 1 1 432.568 4.255 50 0 IIAAMO COc1cc(OC)c(OC)cc1CN(C)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011843240 556366266 /nfs/dbraw/zinc/36/62/66/556366266.db2.gz OKCRNVPJYIMWSF-LJQANCHMSA-N 1 1 430.564 4.238 50 0 IIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](CN3CCCC3=O)C2)c1 ZINC000011955776 556380633 /nfs/dbraw/zinc/38/06/33/556380633.db2.gz VNDCFUXOEGBJQM-OAQYLSRUSA-N 1 1 444.579 4.382 50 0 IIAAMO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000011974937 556383230 /nfs/dbraw/zinc/38/32/30/556383230.db2.gz ZXBNHZAWOPHENP-JOCHJYFZSA-N 1 1 449.580 4.271 50 0 IIAAMO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccccc1)CCC2 ZINC000014242474 556403232 /nfs/dbraw/zinc/40/32/32/556403232.db2.gz ZMVNLLXBSIVCEM-HXUWFJFHSA-N 1 1 426.563 4.403 50 0 IIAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000014273640 556411404 /nfs/dbraw/zinc/41/14/04/556411404.db2.gz GSEJRZJERPKRJT-UHFFFAOYSA-N 1 1 447.510 4.171 50 0 IIAAMO CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014532868 556421647 /nfs/dbraw/zinc/42/16/47/556421647.db2.gz RERYGOXNBNVVSD-LOSJGSFVSA-N 1 1 447.623 4.067 50 0 IIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1 ZINC000027915230 556435168 /nfs/dbraw/zinc/43/51/68/556435168.db2.gz REDUOPQFOGHFAN-UHFFFAOYSA-N 1 1 443.547 4.296 50 0 IIAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@@H]1CCCc2ccccc21 ZINC000013117909 556471041 /nfs/dbraw/zinc/47/10/41/556471041.db2.gz RDQPKEVCDRGJSB-LJQANCHMSA-N 1 1 429.446 4.234 50 0 IIAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NCc1ccc2c(c1)OCO2 ZINC000014983554 556471661 /nfs/dbraw/zinc/47/16/61/556471661.db2.gz QWNYPBWALUMYMN-RUZDIDTESA-N 1 1 448.494 4.197 50 0 IIAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)NCc1ccc2c(c1)OCO2 ZINC000014983551 556471679 /nfs/dbraw/zinc/47/16/79/556471679.db2.gz QWNYPBWALUMYMN-VWLOTQADSA-N 1 1 448.494 4.197 50 0 IIAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)cc1 ZINC000015074299 556498429 /nfs/dbraw/zinc/49/84/29/556498429.db2.gz QUSADPXRZUPWIM-GOSISDBHSA-N 1 1 435.524 4.197 50 0 IIAAMO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000016044067 556578610 /nfs/dbraw/zinc/57/86/10/556578610.db2.gz UTYSQDNUTFAYOB-SIKLNZKXSA-N 1 1 434.374 4.345 50 0 IIAAMO C[C@@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000016422288 556606311 /nfs/dbraw/zinc/60/63/11/556606311.db2.gz HRXNSDYAINCZOI-OAHLLOKOSA-N 1 1 440.897 4.143 50 0 IIAAMO C[C@@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000016422288 556606313 /nfs/dbraw/zinc/60/63/13/556606313.db2.gz HRXNSDYAINCZOI-OAHLLOKOSA-N 1 1 440.897 4.143 50 0 IIAAMO CN(C(=O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000058015469 556754031 /nfs/dbraw/zinc/75/40/31/556754031.db2.gz PEPRLGZFPNNOJX-NRFANRHFSA-N 1 1 449.526 4.019 50 0 IIAAMO CC(=O)N[C@@H](CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccs1 ZINC000058067570 556756564 /nfs/dbraw/zinc/75/65/64/556756564.db2.gz HXEBVYNIIOWXIV-SVMVAKDDSA-N 1 1 427.614 4.110 50 0 IIAAMO Fc1cccc(Cl)c1Cn1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019639619 556836881 /nfs/dbraw/zinc/83/68/81/556836881.db2.gz OALBWJGARSIHKI-UHFFFAOYSA-N 1 1 443.979 4.239 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc1OC ZINC000033068973 556837595 /nfs/dbraw/zinc/83/75/95/556837595.db2.gz YQDSIHFQYOJMPB-UHFFFAOYSA-N 1 1 435.549 4.284 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc1OC ZINC000033068973 556837596 /nfs/dbraw/zinc/83/75/96/556837596.db2.gz YQDSIHFQYOJMPB-UHFFFAOYSA-N 1 1 435.549 4.284 50 0 IIAAMO COc1ccc(CCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1OC ZINC000019913231 556943628 /nfs/dbraw/zinc/94/36/28/556943628.db2.gz WNHFEHOIMQCRCH-UHFFFAOYSA-N 1 1 430.548 4.235 50 0 biogenic IIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc4c(cccc4NC(C)=O)n3)C2)cc1OC ZINC000020117803 556987151 /nfs/dbraw/zinc/98/71/51/556987151.db2.gz PVMAPOCKCHKYBN-LJQANCHMSA-N 1 1 447.535 4.305 50 0 IIAAMO COc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)CC3)sc2c1 ZINC000020113885 556987183 /nfs/dbraw/zinc/98/71/83/556987183.db2.gz LOYBMXUXHHBUOP-HDICACEKSA-N 1 1 444.645 4.006 50 0 IIAAMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1OC ZINC000020169365 556994621 /nfs/dbraw/zinc/99/46/21/556994621.db2.gz LMTDXCBBKKQXEP-UHFFFAOYSA-N 1 1 434.939 4.067 50 0 IIAAMO CC1(C)[C@@]2(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC[C@]1(C)C(=O)O2 ZINC000020292528 557006029 /nfs/dbraw/zinc/00/60/29/557006029.db2.gz HHEWFUZKEUYRFP-SXOMAYOGSA-N 1 1 432.564 4.042 50 0 IIAAMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Br)c1OC ZINC000019877794 557059059 /nfs/dbraw/zinc/05/90/59/557059059.db2.gz CXTAXDCNJNISNV-INIZCTEOSA-N 1 1 436.346 4.255 50 0 IIAAMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Br)c1OC ZINC000019877794 557059066 /nfs/dbraw/zinc/05/90/66/557059066.db2.gz CXTAXDCNJNISNV-INIZCTEOSA-N 1 1 436.346 4.255 50 0 IIAAMO CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCC[NH+]3CCCCCC3)c2)n1 ZINC000033297842 557073692 /nfs/dbraw/zinc/07/36/92/557073692.db2.gz DATQCIGUMCADFW-UHFFFAOYSA-N 1 1 427.661 4.323 50 0 IIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]1 ZINC000023994079 557390248 /nfs/dbraw/zinc/39/02/48/557390248.db2.gz VJPMWFHGDXSYBY-UHFFFAOYSA-N 1 1 425.895 4.284 50 0 IIAAMO C[C@@H](SCC[N@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1)c1cn(-c2ccccc2)nn1 ZINC000408516886 557411980 /nfs/dbraw/zinc/41/19/80/557411980.db2.gz QBEBMDGJNKEOEX-RTBURBONSA-N 1 1 433.585 4.335 50 0 IIAAMO C[C@@H](SCC[N@@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1)c1cn(-c2ccccc2)nn1 ZINC000408516886 557411982 /nfs/dbraw/zinc/41/19/82/557411982.db2.gz QBEBMDGJNKEOEX-RTBURBONSA-N 1 1 433.585 4.335 50 0 IIAAMO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000051317156 557466365 /nfs/dbraw/zinc/46/63/65/557466365.db2.gz SOYLAWOWABUWPK-UHFFFAOYSA-N 1 1 446.429 4.486 50 0 IIAAMO COCc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)ccc1OC ZINC000012072628 557527082 /nfs/dbraw/zinc/52/70/82/557527082.db2.gz ZHVHOCHPBYTTJM-SANMLTNESA-N 1 1 442.575 4.477 50 0 IIAAMO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000106860142 557533023 /nfs/dbraw/zinc/53/30/23/557533023.db2.gz WHRKBRQAMNEMOE-MJGOQNOKSA-N 1 1 428.964 4.193 50 0 IIAAMO C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000106860142 557533026 /nfs/dbraw/zinc/53/30/26/557533026.db2.gz WHRKBRQAMNEMOE-MJGOQNOKSA-N 1 1 428.964 4.193 50 0 IIAAMO COc1cc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC(C)C)cc(OC)c1OC ZINC000045974147 557555987 /nfs/dbraw/zinc/55/59/87/557555987.db2.gz WPLOKTDWWFZLGO-UHFFFAOYSA-N 1 1 445.947 4.032 50 0 IIAAMO Cc1ccc(/C=C2/C(=O)N3c4ccccc4[C@@]45CC[N@@H+]6CC7=CCO[C@@H]2[C@H]([C@H]34)[C@H]7C[C@H]65)cc1 ZINC000245226052 557849509 /nfs/dbraw/zinc/84/95/09/557849509.db2.gz GFIRKZRNWVSINQ-WRIMFVRDSA-N 1 1 436.555 4.094 50 0 IIAAMO C[N@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1cccc(Br)c1 ZINC000002651477 562929338 /nfs/dbraw/zinc/92/93/38/562929338.db2.gz ANGVEPFEISKGIC-INIZCTEOSA-N 1 1 429.152 4.083 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982911 568623982 /nfs/dbraw/zinc/62/39/82/568623982.db2.gz OEUVVJJOOWYKOU-FCHUYYIVSA-N 1 1 434.939 4.260 50 0 IIAAMO CCN(Cc1ccc(OC)c(F)c1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310084 568754973 /nfs/dbraw/zinc/75/49/73/568754973.db2.gz GKMWWBYOMMXHFP-OAQYLSRUSA-N 1 1 442.531 4.181 50 0 IIAAMO CCN(Cc1ccc(OC)c(F)c1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310084 568754974 /nfs/dbraw/zinc/75/49/74/568754974.db2.gz GKMWWBYOMMXHFP-OAQYLSRUSA-N 1 1 442.531 4.181 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1 ZINC000084692280 568800028 /nfs/dbraw/zinc/80/00/28/568800028.db2.gz SCZLBYLRMMQUBF-SFHVURJKSA-N 1 1 430.618 4.422 50 0 IIAAMO COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1C ZINC000015671330 568803018 /nfs/dbraw/zinc/80/30/18/568803018.db2.gz MSFXMLCTGRIESU-UHFFFAOYSA-N 1 1 441.557 4.021 50 0 IIAAMO CC(C)c1[nH+]ccn1CC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000090560543 568887780 /nfs/dbraw/zinc/88/77/80/568887780.db2.gz VFJBXJYDODMQOE-UHFFFAOYSA-N 1 1 431.480 4.006 50 0 IIAAMO CCOC(=O)C1CC[NH+]([C@H](c2c3c(sc2NC(C)=O)CCCC3)c2cccnc2)CC1 ZINC000054105802 568918557 /nfs/dbraw/zinc/91/85/57/568918557.db2.gz WTPQRRJWDXJHDV-QFIPXVFZSA-N 1 1 441.597 4.345 50 0 IIAAMO Cc1c(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1-c1cc[nH+]cc1 ZINC000089545056 568936959 /nfs/dbraw/zinc/93/69/59/568936959.db2.gz SOUIAWMAEYWTQQ-JSGCOSHPSA-N 1 1 447.322 4.305 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccccc2F)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095351 568951356 /nfs/dbraw/zinc/95/13/56/568951356.db2.gz VEWGSNUDYCIUHN-OAQYLSRUSA-N 1 1 425.500 4.285 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccccc2F)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095351 568951358 /nfs/dbraw/zinc/95/13/58/568951358.db2.gz VEWGSNUDYCIUHN-OAQYLSRUSA-N 1 1 425.500 4.285 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146019 568962058 /nfs/dbraw/zinc/96/20/58/568962058.db2.gz OEUVVJJOOWYKOU-VXKWHMMOSA-N 1 1 434.939 4.260 50 0 IIAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@@H](O)COc3ccccc3C)n2)cc1 ZINC000036147609 568962560 /nfs/dbraw/zinc/96/25/60/568962560.db2.gz LHEMCXZNZLVSGG-JOCHJYFZSA-N 1 1 447.535 4.431 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CCCCC1 ZINC000036161377 568967393 /nfs/dbraw/zinc/96/73/93/568967393.db2.gz CTGVYPRVVMKBHQ-WMZOPIPTSA-N 1 1 447.645 4.030 50 0 IIAAMO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2cccc(Cl)c2)C[C@@H](O)COC(C)C)C1 ZINC000169680055 568990388 /nfs/dbraw/zinc/99/03/88/568990388.db2.gz INUWNWKBCWJEAU-YADHBBJMSA-N 1 1 430.976 4.430 50 0 IIAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304025 568994294 /nfs/dbraw/zinc/99/42/94/568994294.db2.gz WAULJOMWHKSQDN-FQEVSTJZSA-N 1 1 445.510 4.471 50 0 IIAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304025 568994295 /nfs/dbraw/zinc/99/42/95/568994295.db2.gz WAULJOMWHKSQDN-FQEVSTJZSA-N 1 1 445.510 4.471 50 0 IIAAMO COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306140 568995427 /nfs/dbraw/zinc/99/54/27/568995427.db2.gz OUZHEOWKUNCFLL-HXUWFJFHSA-N 1 1 439.556 4.106 50 0 IIAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036344359 569080081 /nfs/dbraw/zinc/08/00/81/569080081.db2.gz JBZPABTVFYOWMO-DEOSSOPVSA-N 1 1 435.568 4.484 50 0 IIAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346309 569081171 /nfs/dbraw/zinc/08/11/71/569081171.db2.gz QEBJXROQZVOATB-NRFANRHFSA-N 1 1 427.520 4.330 50 0 IIAAMO O=C(COc1ccc(Cl)cc1Cl)NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700101 569135159 /nfs/dbraw/zinc/13/51/59/569135159.db2.gz MNZYOPXVPUYDNB-NRFANRHFSA-N 1 1 437.367 4.342 50 0 IIAAMO O=C(COc1ccc(Cl)cc1Cl)NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700101 569135161 /nfs/dbraw/zinc/13/51/61/569135161.db2.gz MNZYOPXVPUYDNB-NRFANRHFSA-N 1 1 437.367 4.342 50 0 IIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)CCCc4ccccc4)CC3)n2)cc1 ZINC000017012179 569170431 /nfs/dbraw/zinc/17/04/31/569170431.db2.gz VSNNXKHCVWNMDS-UHFFFAOYSA-N 1 1 445.567 4.209 50 0 IIAAMO COc1ccc(C[NH+]2CCN(c3cc(Oc4ccc(F)cc4Cl)ncn3)CC2)cc1 ZINC000037357560 569173904 /nfs/dbraw/zinc/17/39/04/569173904.db2.gz GCCJAFDIFQDMOB-UHFFFAOYSA-N 1 1 428.895 4.392 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524393 569198586 /nfs/dbraw/zinc/19/85/86/569198586.db2.gz WHFMJHOYAPUAAH-NOZRDPDXSA-N 1 1 426.576 4.481 50 0 IIAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5CC(=O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000253388615 569264336 /nfs/dbraw/zinc/26/43/36/569264336.db2.gz HIDAYMRWVVNXAO-IVMXHLPVSA-N 1 1 427.629 4.095 50 0 biogenic IIAAMO NC(=O)NCCCCNc1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000078821614 569319332 /nfs/dbraw/zinc/31/93/32/569319332.db2.gz AWGCXTBNOZMKCW-UHFFFAOYSA-N 1 1 438.601 4.205 50 0 IIAAMO COC(=O)c1ccc2c(=O)[nH]c(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)nc2c1 ZINC000079024391 569322781 /nfs/dbraw/zinc/32/27/81/569322781.db2.gz JFWBUTWWHRXCOZ-LPHOPBHVSA-N 1 1 441.553 4.052 50 0 IIAAMO COC(=O)c1ccc2c(=O)[nH]c(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)nc2c1 ZINC000079024391 569322783 /nfs/dbraw/zinc/32/27/83/569322783.db2.gz JFWBUTWWHRXCOZ-LPHOPBHVSA-N 1 1 441.553 4.052 50 0 IIAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2ccccc2SCC(N)=O)c1 ZINC000079073070 569324551 /nfs/dbraw/zinc/32/45/51/569324551.db2.gz JDOAPCNJIYBZKA-UHFFFAOYSA-N 1 1 428.602 4.208 50 0 IIAAMO C[C@H]1C[C@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000095408995 569365017 /nfs/dbraw/zinc/36/50/17/569365017.db2.gz YJOAPKMPADYJON-RBBKRZOGSA-N 1 1 431.536 4.422 50 0 IIAAMO O=C(C[NH2+][C@H](CN1CCCC1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000095462573 569370175 /nfs/dbraw/zinc/37/01/75/569370175.db2.gz QMQONKWHCDMIHJ-XMMPIXPASA-N 1 1 429.568 4.115 50 0 IIAAMO COc1cc(C(=O)OCCCC[N@@H+]2CC=C(c3ccccc3)CC2)cc(OC)c1OC ZINC000096027429 569380783 /nfs/dbraw/zinc/38/07/83/569380783.db2.gz QDKWKHXUQWGITH-UHFFFAOYSA-N 1 1 425.525 4.439 50 0 IIAAMO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1F ZINC000008901719 569484346 /nfs/dbraw/zinc/48/43/46/569484346.db2.gz VXPIVEMCBLGUCY-LJQANCHMSA-N 1 1 426.579 4.182 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2)C1 ZINC000040121408 569489568 /nfs/dbraw/zinc/48/95/68/569489568.db2.gz MDKPLYDOFXURCF-DFIYOIEZSA-N 1 1 449.595 4.212 50 0 IIAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)n1 ZINC000040149581 569492562 /nfs/dbraw/zinc/49/25/62/569492562.db2.gz GVNMHVVYSJLPOU-ZEQRLZLVSA-N 1 1 445.563 4.147 50 0 IIAAMO CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000040149590 569492568 /nfs/dbraw/zinc/49/25/68/569492568.db2.gz ODVFOLCHYONJFW-UHFFFAOYSA-N 1 1 446.551 4.274 50 0 IIAAMO C[N@@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000009115662 569502781 /nfs/dbraw/zinc/50/27/81/569502781.db2.gz KDHGRIXIIUIFLD-SSEXGKCCSA-N 1 1 444.984 4.493 50 0 IIAAMO CCOC(=O)c1sc2ncnc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c2c1C ZINC000009414734 569532048 /nfs/dbraw/zinc/53/20/48/569532048.db2.gz XLBBMPVHNANGQI-UHFFFAOYSA-N 1 1 428.533 4.028 50 0 IIAAMO CCn1c(=O)cc(SCC(=O)NCCC[N@@H+](CC)Cc2ccccc2)c2ccccc21 ZINC000009610515 569552603 /nfs/dbraw/zinc/55/26/03/569552603.db2.gz GOIGMAYRSYQEFC-UHFFFAOYSA-N 1 1 437.609 4.142 50 0 IIAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000009630288 569553592 /nfs/dbraw/zinc/55/35/92/569553592.db2.gz YGPOIOXNGUGWRT-UHFFFAOYSA-N 1 1 438.018 4.389 50 0 IIAAMO CCC[N@H+]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000009630288 569553593 /nfs/dbraw/zinc/55/35/93/569553593.db2.gz YGPOIOXNGUGWRT-UHFFFAOYSA-N 1 1 438.018 4.389 50 0 IIAAMO COc1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4F)oc3C)CC2)cc1 ZINC000009731851 569564766 /nfs/dbraw/zinc/56/47/66/569564766.db2.gz ZFNHUXDNEGVELA-UHFFFAOYSA-N 1 1 437.515 4.326 50 0 IIAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3cc(Cl)ccc3-n3cncn3)ccc2c1 ZINC000009798111 569568529 /nfs/dbraw/zinc/56/85/29/569568529.db2.gz WYUUKVSSCITOLU-UHFFFAOYSA-N 1 1 435.915 4.153 50 0 IIAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3cc(Cl)ccc3-n3cncn3)ccc2c1 ZINC000009798111 569568530 /nfs/dbraw/zinc/56/85/30/569568530.db2.gz WYUUKVSSCITOLU-UHFFFAOYSA-N 1 1 435.915 4.153 50 0 IIAAMO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCOCC1 ZINC000019632614 291382935 /nfs/dbraw/zinc/38/29/35/291382935.db2.gz XGALLCVXEZPNRQ-UHFFFAOYSA-N 1 1 446.910 4.276 50 0 aggregator,fda IIAAMO CC[C@H](C)[N@@H+](CCNC(=O)CCC(=O)N1CCOc2ccc(C)cc21)C1CCCCC1 ZINC000006798186 132279116 /nfs/dbraw/zinc/27/91/16/132279116.db2.gz PPFUDBJUIGBUQM-FQEVSTJZSA-N 1 1 429.605 4.050 50 0 IIAAMO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000008763684 132293531 /nfs/dbraw/zinc/29/35/31/132293531.db2.gz HIFNHQCEYHSGGT-UHFFFAOYSA-N 1 1 436.581 4.343 50 0 IIAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908090 519661380 /nfs/dbraw/zinc/66/13/80/519661380.db2.gz VPVXXTXZQRMNHA-RBBKRZOGSA-N 1 1 437.550 4.473 50 0 IIAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC000012198026 520458675 /nfs/dbraw/zinc/45/86/75/520458675.db2.gz YPJHZPJNHLBLOE-UHFFFAOYSA-N 1 1 425.554 4.306 50 0 IIAAMO CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)[C@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000012434252 520461118 /nfs/dbraw/zinc/46/11/18/520461118.db2.gz BCANUERMKLXXHX-FQEVSTJZSA-N 1 1 425.573 4.372 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3cc(Br)ccc3OC)n2)C1 ZINC000020941115 521301885 /nfs/dbraw/zinc/30/18/85/521301885.db2.gz DQHJDXCUECXOTK-ZDUSSCGKSA-N 1 1 439.375 4.356 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cc(Br)ccc3OC)n2)C1 ZINC000020941115 521301895 /nfs/dbraw/zinc/30/18/95/521301895.db2.gz DQHJDXCUECXOTK-ZDUSSCGKSA-N 1 1 439.375 4.356 50 0 IIAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000012710426 521356085 /nfs/dbraw/zinc/35/60/85/521356085.db2.gz FVRFZYFTVPNYCY-VWLOTQADSA-N 1 1 427.589 4.477 50 0 IIAAMO CCCN(C)c1cc(C(C)C)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000036049799 521516587 /nfs/dbraw/zinc/51/65/87/521516587.db2.gz DDIJUMABRALWRB-UHFFFAOYSA-N 1 1 441.645 4.126 50 0 IIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)ccc1C)CC[N@H+](Cc1ccccc1)C2 ZINC000035457223 521539064 /nfs/dbraw/zinc/53/90/64/521539064.db2.gz VPYLAMJAXKJIBD-UHFFFAOYSA-N 1 1 444.579 4.010 50 0 IIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)ccc1C)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457223 521539074 /nfs/dbraw/zinc/53/90/74/521539074.db2.gz VPYLAMJAXKJIBD-UHFFFAOYSA-N 1 1 444.579 4.010 50 0 IIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3noc4c3CSc3ccccc3-4)cc2)CC1 ZINC000022936352 521688868 /nfs/dbraw/zinc/68/88/68/521688868.db2.gz UOVMBVGKQMINNA-UHFFFAOYSA-N 1 1 434.565 4.337 50 0 IIAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc(OC)c1OC ZINC000012387290 522376470 /nfs/dbraw/zinc/37/64/70/522376470.db2.gz CCGKQFCYXOUTRX-IBGZPJMESA-N 1 1 427.541 4.433 50 0 IIAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc(OC)c1OC ZINC000012387290 522376476 /nfs/dbraw/zinc/37/64/76/522376476.db2.gz CCGKQFCYXOUTRX-IBGZPJMESA-N 1 1 427.541 4.433 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020508784 523018959 /nfs/dbraw/zinc/01/89/59/523018959.db2.gz WXPHNGKOXRETEO-FQEVSTJZSA-N 1 1 447.579 4.384 50 0 IIAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000012315579 523027765 /nfs/dbraw/zinc/02/77/65/523027765.db2.gz BULBOBKHERWKQW-IBGZPJMESA-N 1 1 430.980 4.068 50 0 IIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)COc1ccccc1 ZINC000012093592 523042769 /nfs/dbraw/zinc/04/27/69/523042769.db2.gz WYECCYRQQDGJDD-FQEVSTJZSA-N 1 1 434.502 4.497 50 0 IIAAMO COCC[N@@H+](Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21)C(C)C ZINC000020538454 523736805 /nfs/dbraw/zinc/73/68/05/523736805.db2.gz YZCBQQCGPBUAAZ-UHFFFAOYSA-N 1 1 440.975 4.043 50 0 IIAAMO COc1ccc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012596854 524005572 /nfs/dbraw/zinc/00/55/72/524005572.db2.gz GMOKQICMMRSOGF-JOCHJYFZSA-N 1 1 443.563 4.028 50 0 IIAAMO COc1ccc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012596854 524005575 /nfs/dbraw/zinc/00/55/75/524005575.db2.gz GMOKQICMMRSOGF-JOCHJYFZSA-N 1 1 443.563 4.028 50 0 IIAAMO Cc1ccc(C)c(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000033277355 524139041 /nfs/dbraw/zinc/13/90/41/524139041.db2.gz WKQYSFNTBYXQPG-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO Cc1ccc(C)c(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000033277355 524139047 /nfs/dbraw/zinc/13/90/47/524139047.db2.gz WKQYSFNTBYXQPG-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO Cc1cccc(-n2ncc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c2-n2cccc2)c1 ZINC000020980107 524146363 /nfs/dbraw/zinc/14/63/63/524146363.db2.gz RDDYFPMIKAFGTF-UHFFFAOYSA-N 1 1 427.552 4.223 50 0 IIAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000020453656 524263477 /nfs/dbraw/zinc/26/34/77/524263477.db2.gz CVDBIRJRVMBSAK-QFIPXVFZSA-N 1 1 449.599 4.372 50 0 IIAAMO COc1ccccc1NC(=O)CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022197550 524589882 /nfs/dbraw/zinc/58/98/82/524589882.db2.gz WPZPSUSNVDPCMQ-UHFFFAOYSA-N 1 1 429.564 4.431 50 0 IIAAMO COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[NH+](C)C ZINC000021805274 524794338 /nfs/dbraw/zinc/79/43/38/524794338.db2.gz KUQROEDEKADUNG-SFHVURJKSA-N 1 1 444.329 4.145 50 0 IIAAMO COc1ccc(OCC[NH+]2CCN(Cc3cc4ccc(OC)cc4nc3Cl)CC2)cc1 ZINC000022912606 524957594 /nfs/dbraw/zinc/95/75/94/524957594.db2.gz UXKCCDDLAOQGSR-UHFFFAOYSA-N 1 1 441.959 4.102 50 0 IIAAMO Cc1ccccc1-c1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000022909914 525005652 /nfs/dbraw/zinc/00/56/52/525005652.db2.gz CJGWBPHTQFCYQT-HHHXNRCGSA-N 1 1 435.656 4.403 50 0 IIAAMO Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000013056047 525130885 /nfs/dbraw/zinc/13/08/85/525130885.db2.gz HPRGUMLHCVUNEO-KRWDZBQOSA-N 1 1 435.490 4.309 50 0 IIAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)c(Br)c1 ZINC000012734376 525211898 /nfs/dbraw/zinc/21/18/98/525211898.db2.gz VLKMFCFXASREBB-KRWDZBQOSA-N 1 1 446.389 4.053 50 0 IIAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)c(Br)c1 ZINC000012734376 525211906 /nfs/dbraw/zinc/21/19/06/525211906.db2.gz VLKMFCFXASREBB-KRWDZBQOSA-N 1 1 446.389 4.053 50 0 IIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)C1 ZINC000022295220 525212483 /nfs/dbraw/zinc/21/24/83/525212483.db2.gz DLSOYNIVDJYXRY-IAGOWNOFSA-N 1 1 442.629 4.287 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000012799917 525242787 /nfs/dbraw/zinc/24/27/87/525242787.db2.gz MDOGDKZBQVFSEQ-QFIPXVFZSA-N 1 1 425.529 4.218 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000012799917 525242791 /nfs/dbraw/zinc/24/27/91/525242791.db2.gz MDOGDKZBQVFSEQ-QFIPXVFZSA-N 1 1 425.529 4.218 50 0 IIAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](Cc4cccs4)CC3)n2)cc1Cl ZINC000034678316 525255594 /nfs/dbraw/zinc/25/55/94/525255594.db2.gz APTRPPHYAZSGOV-UHFFFAOYSA-N 1 1 430.961 4.268 50 0 IIAAMO Cc1cccn2c(C[N@@H+](C)CC[C@@H]3CCCCO3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012301783 525464091 /nfs/dbraw/zinc/46/40/91/525464091.db2.gz HXCKZJUIVQHBCB-QHCPKHFHSA-N 1 1 448.611 4.348 50 0 IIAAMO Cc1c(C(=O)NCC[C@H]2CCC[N@@H+]2C)sc2ncnc(NCCc3ccccc3F)c12 ZINC000012456820 525617046 /nfs/dbraw/zinc/61/70/46/525617046.db2.gz BTRVJQCAJPXTRP-QGZVFWFLSA-N 1 1 441.576 4.008 50 0 IIAAMO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4nncn4C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000020909078 525908145 /nfs/dbraw/zinc/90/81/45/525908145.db2.gz HHFJKABCAVFDBX-HXUWFJFHSA-N 1 1 430.531 4.495 50 0 IIAAMO C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1coc(CN3CC[NH+](Cc4ccccc4)CC3)n1)C2 ZINC000020775911 525915941 /nfs/dbraw/zinc/91/59/41/525915941.db2.gz VYRLWMZAFLQGQD-QFQXNSOFSA-N 1 1 436.600 4.033 50 0 IIAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000012761684 525968552 /nfs/dbraw/zinc/96/85/52/525968552.db2.gz AGXIIAPREQWHEN-IBGZPJMESA-N 1 1 434.540 4.054 50 0 IIAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)c1 ZINC000012761684 525968567 /nfs/dbraw/zinc/96/85/67/525968567.db2.gz AGXIIAPREQWHEN-IBGZPJMESA-N 1 1 434.540 4.054 50 0 IIAAMO COc1cccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)c1 ZINC000021795310 526187930 /nfs/dbraw/zinc/18/79/30/526187930.db2.gz MUYDZEYGHFJMSC-UHFFFAOYSA-N 1 1 432.528 4.200 50 0 IIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000035876938 526239226 /nfs/dbraw/zinc/23/92/26/526239226.db2.gz UZPHINACJLIIRP-UIXUWTQFSA-N 1 1 443.330 4.137 50 0 IIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000035876938 526239230 /nfs/dbraw/zinc/23/92/30/526239230.db2.gz UZPHINACJLIIRP-UIXUWTQFSA-N 1 1 443.330 4.137 50 0 IIAAMO O=C(NCc1cccc(F)c1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035870686 526717954 /nfs/dbraw/zinc/71/79/54/526717954.db2.gz IXPQYWBERNZOIL-RSXGOPAZSA-N 1 1 447.529 4.144 50 0 IIAAMO O=C(NCc1cccc(F)c1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035870685 526719414 /nfs/dbraw/zinc/71/94/14/526719414.db2.gz IXPQYWBERNZOIL-AHWVRZQESA-N 1 1 447.529 4.144 50 0 IIAAMO O=C(NCc1cccc(F)c1)[C@H]1Cc2ccccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000035870707 526719641 /nfs/dbraw/zinc/71/96/41/526719641.db2.gz ZMINZEFTLSFHMP-BDYUSTAISA-N 1 1 443.566 4.048 50 0 IIAAMO Clc1cccc(-c2cc3c(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nccn3n2)c1 ZINC000035506113 526971580 /nfs/dbraw/zinc/97/15/80/526971580.db2.gz FRFIRTOHMLAHSH-UHFFFAOYSA-N 1 1 447.926 4.101 50 0 IIAAMO NC(=O)c1c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)sc2c1CCCC2 ZINC000012799534 527020713 /nfs/dbraw/zinc/02/07/13/527020713.db2.gz WUSUFFJUCWVNCM-FQEVSTJZSA-N 1 1 443.569 4.244 50 0 IIAAMO O=C(Nc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035894122 527203430 /nfs/dbraw/zinc/20/34/30/527203430.db2.gz UYUUSTHGNKNXCK-ZCYQVOJMSA-N 1 1 433.502 4.467 50 0 IIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894121 527204018 /nfs/dbraw/zinc/20/40/18/527204018.db2.gz UYUUSTHGNKNXCK-ILBGXUMGSA-N 1 1 433.502 4.467 50 0 IIAAMO O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020604343 527337826 /nfs/dbraw/zinc/33/78/26/527337826.db2.gz NJACJIBHNPCYRM-UHFFFAOYSA-N 1 1 434.540 4.089 50 0 IIAAMO Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)c(C)c12 ZINC000021167552 527575147 /nfs/dbraw/zinc/57/51/47/527575147.db2.gz VEXVHQFXIZGXIF-FQEVSTJZSA-N 1 1 439.648 4.425 50 0 IIAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)[C@H]2CCCC[C@@H]21 ZINC000012317416 527682659 /nfs/dbraw/zinc/68/26/59/527682659.db2.gz BCRBIMCWXKFKTH-AOJNWGRGSA-N 1 1 431.536 4.458 50 0 IIAAMO Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OC[C@@H]4CCCC[N@H+]4C)cc3)c12 ZINC000036616647 527683991 /nfs/dbraw/zinc/68/39/91/527683991.db2.gz MYKWCCVBQMEYKI-IBGZPJMESA-N 1 1 433.556 4.270 50 0 IIAAMO COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(c2cccc(C)[nH+]2)CC1 ZINC000009429820 536970649 /nfs/dbraw/zinc/97/06/49/536970649.db2.gz KNAQWUZOUIDHHT-UHFFFAOYSA-N 1 1 428.540 4.052 50 0 IIAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002734747 555805728 /nfs/dbraw/zinc/80/57/28/555805728.db2.gz HSPRQEFFNKFHOP-SFHVURJKSA-N 1 1 431.374 4.328 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000034754901 555899900 /nfs/dbraw/zinc/89/99/00/555899900.db2.gz JYPNQLAITXMONF-NOZRDPDXSA-N 1 1 426.576 4.481 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855575 555923922 /nfs/dbraw/zinc/92/39/22/555923922.db2.gz DMEOFHCLLZQYJN-HOYKHHGWSA-N 1 1 425.573 4.208 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855575 555923924 /nfs/dbraw/zinc/92/39/24/555923924.db2.gz DMEOFHCLLZQYJN-HOYKHHGWSA-N 1 1 425.573 4.208 50 0 IIAAMO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000009041848 556241986 /nfs/dbraw/zinc/24/19/86/556241986.db2.gz SGGCTDDEVLJPJE-FQEVSTJZSA-N 1 1 427.342 4.036 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000004466023 556309551 /nfs/dbraw/zinc/30/95/51/556309551.db2.gz SPCVDRWAFFUROT-VYVDHXHBSA-N 1 1 425.529 4.125 50 0 IIAAMO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCC[N@H+]2CCCC[C@@H]2CC)c1C ZINC000009830259 556310444 /nfs/dbraw/zinc/31/04/44/556310444.db2.gz GBPHNLAERCYAQR-QFIPXVFZSA-N 1 1 439.600 4.329 50 0 IIAAMO COc1ccc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C(C)C)n2)cc1OC ZINC000032759540 556319852 /nfs/dbraw/zinc/31/98/52/556319852.db2.gz ZKMNEWVBAKCZOF-JOCHJYFZSA-N 1 1 425.485 4.012 50 0 IIAAMO CN(C(=O)CC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)C1CC[NH+](C)CC1 ZINC000011840751 556364809 /nfs/dbraw/zinc/36/48/09/556364809.db2.gz WEPHZDNHTGOFBH-GOSISDBHSA-N 1 1 425.539 4.250 50 0 IIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccsc2)CCO3)C1 ZINC000012001477 556385615 /nfs/dbraw/zinc/38/56/15/556385615.db2.gz KFBHKTZFZDYYFR-JOCHJYFZSA-N 1 1 441.641 4.223 50 0 IIAAMO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cc(F)ccc3F)CC2)c1 ZINC000012072449 556396226 /nfs/dbraw/zinc/39/62/26/556396226.db2.gz COUMZGKRKUNRKD-UHFFFAOYSA-N 1 1 430.495 4.253 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)cc1OC ZINC000032623085 556410438 /nfs/dbraw/zinc/41/04/38/556410438.db2.gz HMHAIJCEGKAEQO-SFHVURJKSA-N 1 1 441.553 4.377 50 0 IIAAMO COc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000032825227 556410667 /nfs/dbraw/zinc/41/06/67/556410667.db2.gz PZTDDGKUQWLXJC-UHFFFAOYSA-N 1 1 429.528 4.067 50 0 IIAAMO CSc1ccc(Cl)c(C(=O)N2CCN(c3nc(C[NH+]4CCCC4)cs3)CC2)c1 ZINC000065200013 556419294 /nfs/dbraw/zinc/41/92/94/556419294.db2.gz CMQGLAFNGKPDEF-UHFFFAOYSA-N 1 1 437.034 4.077 50 0 IIAAMO COc1cc(CNc2nc(C)c(-c3ccn(C[C@H]4CCC[N@@H+](C)C4)n3)s2)cc(OC)c1 ZINC000014879446 556452860 /nfs/dbraw/zinc/45/28/60/556452860.db2.gz WRGYRFNJOKMCDV-KRWDZBQOSA-N 1 1 441.601 4.286 50 0 IIAAMO CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000014950623 556460798 /nfs/dbraw/zinc/46/07/98/556460798.db2.gz ZZYSFVUZSJJSAB-UHFFFAOYSA-N 1 1 433.596 4.199 50 0 IIAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC000014976100 556468918 /nfs/dbraw/zinc/46/89/18/556468918.db2.gz OBJROZAXIRWESC-GOSISDBHSA-N 1 1 426.561 4.332 50 0 IIAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000014994065 556476935 /nfs/dbraw/zinc/47/69/35/556476935.db2.gz RLJNOXRDVYBBRT-QHCPKHFHSA-N 1 1 435.572 4.180 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCc3ccccc3C2)c2c[nH]c3ccccc32)cc1 ZINC000013164518 556496788 /nfs/dbraw/zinc/49/67/88/556496788.db2.gz VKUPANZUVYCZRP-RUZDIDTESA-N 1 1 439.559 4.483 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)C[N@H+]2CCc3ccccc3C2)c2c[nH]c3ccccc32)cc1 ZINC000013164518 556496789 /nfs/dbraw/zinc/49/67/89/556496789.db2.gz VKUPANZUVYCZRP-RUZDIDTESA-N 1 1 439.559 4.483 50 0 IIAAMO COc1ccc(OC)c(NC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c1 ZINC000015073109 556497243 /nfs/dbraw/zinc/49/72/43/556497243.db2.gz BZQOQRRKNJXPSI-IBGZPJMESA-N 1 1 441.572 4.131 50 0 IIAAMO CC[N@@H+]1CCc2nc(NC(=O)Cc3c(C)[nH]c4ccc(Br)cc43)sc2C1 ZINC000030560465 556497698 /nfs/dbraw/zinc/49/76/98/556497698.db2.gz HUWRQCBTUOQTIN-UHFFFAOYSA-N 1 1 433.375 4.255 50 0 IIAAMO CC[N@H+]1CCc2nc(NC(=O)Cc3c(C)[nH]c4ccc(Br)cc43)sc2C1 ZINC000030560465 556497701 /nfs/dbraw/zinc/49/77/01/556497701.db2.gz HUWRQCBTUOQTIN-UHFFFAOYSA-N 1 1 433.375 4.255 50 0 IIAAMO O=C(CSc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000015079191 556500205 /nfs/dbraw/zinc/50/02/05/556500205.db2.gz MAZWLFSIUZPILV-NRFANRHFSA-N 1 1 430.017 4.245 50 0 IIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000072308061 556563632 /nfs/dbraw/zinc/56/36/32/556563632.db2.gz PANSDTRIEDAPSB-DEOSSOPVSA-N 1 1 438.568 4.431 50 0 IIAAMO COc1ccccc1/C=C1\Oc2ccc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc2NC1=O ZINC000032983773 556602734 /nfs/dbraw/zinc/60/27/34/556602734.db2.gz JPXJEDPCNKZUNJ-ULJHMMPZSA-N 1 1 449.551 4.062 50 0 IIAAMO COc1ccc(/C=C/C(=O)NCCCN2CCC([N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000005057763 556627952 /nfs/dbraw/zinc/62/79/52/556627952.db2.gz YDSMCGCCFXJMPY-HLEHNYBKSA-N 1 1 427.633 4.190 50 0 IIAAMO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000016695281 556628614 /nfs/dbraw/zinc/62/86/14/556628614.db2.gz NZYOVSADOJZAAT-AREMUKBSSA-N 1 1 446.595 4.416 50 0 IIAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(c2nc3ccc(OCC)cc3s2)CC1 ZINC000005137088 556640020 /nfs/dbraw/zinc/64/00/20/556640020.db2.gz AWFZJBGBTUXWSL-UHFFFAOYSA-N 1 1 432.634 4.150 50 0 IIAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)[nH+]1 ZINC000033014154 556664613 /nfs/dbraw/zinc/66/46/13/556664613.db2.gz UKXCQXDCWVKDIS-UHFFFAOYSA-N 1 1 441.491 4.488 50 0 IIAAMO Cc1nc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc(N2CCCC2)[nH+]1 ZINC000033014154 556664616 /nfs/dbraw/zinc/66/46/16/556664616.db2.gz UKXCQXDCWVKDIS-UHFFFAOYSA-N 1 1 441.491 4.488 50 0 IIAAMO NC(=O)C1CC[NH+]([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000058159610 556764102 /nfs/dbraw/zinc/76/41/02/556764102.db2.gz JQRKNXXCDJQEQE-SFHVURJKSA-N 1 1 439.865 4.236 50 0 IIAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)C1 ZINC000058175427 556769141 /nfs/dbraw/zinc/76/91/41/556769141.db2.gz QYCFUCZZNWMFKY-RTWAWAEBSA-N 1 1 428.621 4.013 50 0 IIAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000072401592 556801059 /nfs/dbraw/zinc/80/10/59/556801059.db2.gz NPBQXAVJEYPTOR-UHFFFAOYSA-N 1 1 434.492 4.436 50 0 IIAAMO C[NH+]1CCN(c2nc3ccccc3nc2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000033086073 556856982 /nfs/dbraw/zinc/85/69/82/556856982.db2.gz RDHVSCMOLKOXKS-UHFFFAOYSA-N 1 1 449.864 4.306 50 0 IIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126116 556866735 /nfs/dbraw/zinc/86/67/35/556866735.db2.gz NCDJRTOXHXNGQU-OAQYLSRUSA-N 1 1 434.559 4.055 50 0 IIAAMO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1cccc(Cl)c1 ZINC000011228544 556876119 /nfs/dbraw/zinc/87/61/19/556876119.db2.gz MEQKMUSIKRCUQI-AWEZNQCLSA-N 1 1 441.881 4.276 50 0 IIAAMO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000011228544 556876123 /nfs/dbraw/zinc/87/61/23/556876123.db2.gz MEQKMUSIKRCUQI-AWEZNQCLSA-N 1 1 441.881 4.276 50 0 IIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000019771234 556913134 /nfs/dbraw/zinc/91/31/34/556913134.db2.gz XCMCJRHXACXIHD-INIZCTEOSA-N 1 1 439.503 4.093 50 0 IIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000019771234 556913136 /nfs/dbraw/zinc/91/31/36/556913136.db2.gz XCMCJRHXACXIHD-INIZCTEOSA-N 1 1 439.503 4.093 50 0 IIAAMO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000019889988 556938868 /nfs/dbraw/zinc/93/88/68/556938868.db2.gz GAXLASJONLSCSC-BWAHOGKJSA-N 1 1 443.547 4.012 50 0 IIAAMO Cc1cc(=O)n2c(n1)NC(N1CCN(c3ccccc3)CC1)=[NH+][C@@H]2c1ccc(Cl)cc1 ZINC000020028274 556967412 /nfs/dbraw/zinc/96/74/12/556967412.db2.gz ASCCJPFSHZWRLX-NRFANRHFSA-N 1 1 434.931 4.062 50 0 IIAAMO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048288984 557054532 /nfs/dbraw/zinc/05/45/32/557054532.db2.gz PPPRGTDZSRSXHX-ZDUSSCGKSA-N 1 1 428.286 4.335 50 0 IIAAMO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048288984 557054535 /nfs/dbraw/zinc/05/45/35/557054535.db2.gz PPPRGTDZSRSXHX-ZDUSSCGKSA-N 1 1 428.286 4.335 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2cc(=O)n3ccsc3n2)[C@@H](C)Cc2cccs2)cc1 ZINC000023054970 557060466 /nfs/dbraw/zinc/06/04/66/557060466.db2.gz NHBKYTXTCILRRQ-INIZCTEOSA-N 1 1 425.579 4.460 50 0 IIAAMO CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(-n4cc[nH+]c4C)c(F)c3)n2)cc1 ZINC000048314233 557067861 /nfs/dbraw/zinc/06/78/61/557067861.db2.gz OGYZABNNFYHBID-UHFFFAOYSA-N 1 1 435.459 4.340 50 0 IIAAMO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000023153131 557069363 /nfs/dbraw/zinc/06/93/63/557069363.db2.gz OYYZHRGZGFQGQP-DEOSSOPVSA-N 1 1 425.536 4.486 50 0 IIAAMO CC(=O)N[C@@H](CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000048375030 557076355 /nfs/dbraw/zinc/07/63/55/557076355.db2.gz VMSBKEVHWJULOK-SVMVAKDDSA-N 1 1 427.614 4.110 50 0 IIAAMO Cc1ccc2occ(C[NH+]3CCC(O)(c4ccc(Br)cc4)CC3)c(=O)c2c1 ZINC000023281966 557081819 /nfs/dbraw/zinc/08/18/19/557081819.db2.gz DVYFRPRXKGJWHJ-UHFFFAOYSA-N 1 1 428.326 4.348 50 0 IIAAMO Cc1c(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000023339365 557085660 /nfs/dbraw/zinc/08/56/60/557085660.db2.gz XDZZASQZPMEHDP-QFIPXVFZSA-N 1 1 447.579 4.367 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cc(=O)n3cc(C)ccc3n1)CC2 ZINC000023873059 557122074 /nfs/dbraw/zinc/12/20/74/557122074.db2.gz KMHUVUBLVSYHTD-HHHXNRCGSA-N 1 1 441.531 4.168 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cc(=O)n3cc(C)ccc3n1)CC2 ZINC000023873059 557122077 /nfs/dbraw/zinc/12/20/77/557122077.db2.gz KMHUVUBLVSYHTD-HHHXNRCGSA-N 1 1 441.531 4.168 50 0 IIAAMO Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CC[NH+](CCO)CC3)c2c1C ZINC000023956271 557127583 /nfs/dbraw/zinc/12/75/83/557127583.db2.gz AUAHLZMXFFRLJT-UHFFFAOYSA-N 1 1 449.045 4.368 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2nn3c(nc(C)cc3=O)s2)[C@@H](C)Cc2cccs2)cc1 ZINC000024893023 557177322 /nfs/dbraw/zinc/17/73/22/557177322.db2.gz GEHHJTGUWTZOEE-INIZCTEOSA-N 1 1 440.594 4.163 50 0 IIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000096230638 557184915 /nfs/dbraw/zinc/18/49/15/557184915.db2.gz OMOGMPYQUXKTFC-INIZCTEOSA-N 1 1 431.483 4.080 50 0 IIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000096230638 557184918 /nfs/dbraw/zinc/18/49/18/557184918.db2.gz OMOGMPYQUXKTFC-INIZCTEOSA-N 1 1 431.483 4.080 50 0 IIAAMO O=C(Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1)c1cccs1 ZINC000010974878 557198688 /nfs/dbraw/zinc/19/86/88/557198688.db2.gz RAOQGTWPUNLFST-UHFFFAOYSA-N 1 1 437.540 4.488 50 0 IIAAMO O=C(Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1)c1cccs1 ZINC000010974878 557198692 /nfs/dbraw/zinc/19/86/92/557198692.db2.gz RAOQGTWPUNLFST-UHFFFAOYSA-N 1 1 437.540 4.488 50 0 IIAAMO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3ccccc3Cl)C[C@@H](O)COC(C)C)C2)cc1 ZINC000169677616 557209816 /nfs/dbraw/zinc/20/98/16/557209816.db2.gz SWPUKSPWBIQSAW-IFMALSPDSA-N 1 1 446.975 4.130 50 0 IIAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3ccccc3Cl)C[C@@H](O)COC(C)C)C2)cc1 ZINC000169677616 557209819 /nfs/dbraw/zinc/20/98/19/557209819.db2.gz SWPUKSPWBIQSAW-IFMALSPDSA-N 1 1 446.975 4.130 50 0 IIAAMO O=C(c1c[nH]c2ccccc21)[C@H](O)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000101016708 557281423 /nfs/dbraw/zinc/28/14/23/557281423.db2.gz JYSZSQQCXBFFHG-ILBGXUMGSA-N 1 1 431.561 4.337 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105011334 557472724 /nfs/dbraw/zinc/47/27/24/557472724.db2.gz QGSWPEOPTDVNBV-ILBGXUMGSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105011334 557472727 /nfs/dbraw/zinc/47/27/27/557472727.db2.gz QGSWPEOPTDVNBV-ILBGXUMGSA-N 1 1 447.579 4.256 50 0 IIAAMO Cc1csc(-c2cccc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)c2)n1 ZINC000107148821 557534767 /nfs/dbraw/zinc/53/47/67/557534767.db2.gz MGABPGKLWMHMHZ-UNMCSNQZSA-N 1 1 436.581 4.123 50 0 IIAAMO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1cccc(C(F)(F)F)c1 ZINC000238937437 557842076 /nfs/dbraw/zinc/84/20/76/557842076.db2.gz VJYXGAZNXULYBW-MRXNPFEDSA-N 1 1 438.833 4.498 50 0 IIAAMO C[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1cccc(Br)c1 ZINC000002651479 562929330 /nfs/dbraw/zinc/92/93/30/562929330.db2.gz ANGVEPFEISKGIC-MRXNPFEDSA-N 1 1 429.152 4.083 50 0 IIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 ZINC000009440416 562971156 /nfs/dbraw/zinc/97/11/56/562971156.db2.gz KQAFMCZKNKXFKS-UPVQGACJSA-N 1 1 449.595 4.217 50 0 IIAAMO COc1ccc([C@@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440835 563024939 /nfs/dbraw/zinc/02/49/39/563024939.db2.gz VARZVSBFQFXSMO-XNMGPUDCSA-N 1 1 433.548 4.056 50 0 IIAAMO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@@H](O)COCc2ccco2)C1 ZINC000104982523 568622778 /nfs/dbraw/zinc/62/27/78/568622778.db2.gz MRQYSCHCGOUHCA-ISKFKSNPSA-N 1 1 434.536 4.161 50 0 IIAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984284 568623228 /nfs/dbraw/zinc/62/32/28/568623228.db2.gz VWELLJAHZMKOKP-XZOQPEGZSA-N 1 1 430.976 4.369 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983016 568623853 /nfs/dbraw/zinc/62/38/53/568623853.db2.gz CXXQPONNTZEJHG-FCHUYYIVSA-N 1 1 434.939 4.260 50 0 IIAAMO COc1cc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc2c1OCO2 ZINC000015079417 568636687 /nfs/dbraw/zinc/63/66/87/568636687.db2.gz LUOQHRKMZJXORZ-AWEZNQCLSA-N 1 1 438.480 4.352 50 0 IIAAMO COc1cc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc2c1OCO2 ZINC000015079417 568636691 /nfs/dbraw/zinc/63/66/91/568636691.db2.gz LUOQHRKMZJXORZ-AWEZNQCLSA-N 1 1 438.480 4.352 50 0 IIAAMO O=C(Nc1ccccc1Oc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000084535861 568798603 /nfs/dbraw/zinc/79/86/03/568798603.db2.gz KJKUGEAELYWBPP-JTHBVZDNSA-N 1 1 431.536 4.483 50 0 IIAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000015671347 568802928 /nfs/dbraw/zinc/80/29/28/568802928.db2.gz DIUIBJQWDLIGKW-UHFFFAOYSA-N 1 1 441.532 4.459 50 0 IIAAMO CCCC[N@@H+](CCNC(=O)c1c(C)oc2ncnc(N3CCCCC3)c21)Cc1ccco1 ZINC000015727596 568812768 /nfs/dbraw/zinc/81/27/68/568812768.db2.gz WWUFAGHIEPKSHG-UHFFFAOYSA-N 1 1 439.560 4.147 50 0 IIAAMO CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)ccc3[nH]2)cc1 ZINC000015863824 568849495 /nfs/dbraw/zinc/84/94/95/568849495.db2.gz WCPJOMZVAPJUJY-SFHVURJKSA-N 1 1 447.583 4.106 50 0 IIAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000245312354 568914814 /nfs/dbraw/zinc/91/48/14/568914814.db2.gz URXXWCUIYWGBRM-LIKDZFNVSA-N 1 1 436.552 4.339 50 0 IIAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000245312354 568914816 /nfs/dbraw/zinc/91/48/16/568914816.db2.gz URXXWCUIYWGBRM-LIKDZFNVSA-N 1 1 436.552 4.339 50 0 IIAAMO C[C@H]1C[N@H+](CCC(=O)N[C@H](c2ccccn2)C(F)(F)F)Cc2cc(Cl)ccc2O1 ZINC000252448917 568919667 /nfs/dbraw/zinc/91/96/67/568919667.db2.gz WTQODOYCKGEZHN-ORAYPTAESA-N 1 1 427.854 4.128 50 0 IIAAMO C[C@H]1C[N@@H+](CCC(=O)N[C@H](c2ccccn2)C(F)(F)F)Cc2cc(Cl)ccc2O1 ZINC000252448917 568919668 /nfs/dbraw/zinc/91/96/68/568919668.db2.gz WTQODOYCKGEZHN-ORAYPTAESA-N 1 1 427.854 4.128 50 0 IIAAMO COc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c1 ZINC000064800838 568961290 /nfs/dbraw/zinc/96/12/90/568961290.db2.gz ATMGLTDPYHWSNZ-UHFFFAOYSA-N 1 1 433.512 4.398 50 0 IIAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801583 568961473 /nfs/dbraw/zinc/96/14/73/568961473.db2.gz UBGRYMYHYHPVFB-UHFFFAOYSA-N 1 1 436.491 4.457 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146317 568962120 /nfs/dbraw/zinc/96/21/20/568962120.db2.gz CXXQPONNTZEJHG-VXKWHMMOSA-N 1 1 434.939 4.260 50 0 IIAAMO CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036208309 568973372 /nfs/dbraw/zinc/97/33/72/568973372.db2.gz LWCDBGYGTHFKRF-FQEVSTJZSA-N 1 1 427.545 4.180 50 0 IIAAMO CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036208309 568973373 /nfs/dbraw/zinc/97/33/73/568973373.db2.gz LWCDBGYGTHFKRF-FQEVSTJZSA-N 1 1 427.545 4.180 50 0 IIAAMO CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678933 568990279 /nfs/dbraw/zinc/99/02/79/568990279.db2.gz LZQUGPRWUMASCB-UNMCSNQZSA-N 1 1 431.502 4.093 50 0 IIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](C)O ZINC000036304036 568994344 /nfs/dbraw/zinc/99/43/44/568994344.db2.gz ZGCFJUZAALEBDM-INIZCTEOSA-N 1 1 431.483 4.080 50 0 IIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](C)O ZINC000036304036 568994345 /nfs/dbraw/zinc/99/43/45/568994345.db2.gz ZGCFJUZAALEBDM-INIZCTEOSA-N 1 1 431.483 4.080 50 0 IIAAMO CC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036308876 568995609 /nfs/dbraw/zinc/99/56/09/568995609.db2.gz YKDCUEZJYOAUCL-REWPJTCUSA-N 1 1 444.641 4.469 50 0 IIAAMO CC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C(C)C ZINC000036312288 568997617 /nfs/dbraw/zinc/99/76/17/568997617.db2.gz FRWCWSIYSIKJBF-UHFFFAOYSA-N 1 1 430.568 4.263 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036345569 569080650 /nfs/dbraw/zinc/08/06/50/569080650.db2.gz QGSWPEOPTDVNBV-NOZRDPDXSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036345569 569080651 /nfs/dbraw/zinc/08/06/51/569080651.db2.gz QGSWPEOPTDVNBV-NOZRDPDXSA-N 1 1 447.579 4.256 50 0 IIAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346567 569081439 /nfs/dbraw/zinc/08/14/39/569081439.db2.gz ZDEQUFJQJSTOGC-FQEVSTJZSA-N 1 1 445.510 4.471 50 0 IIAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346567 569081441 /nfs/dbraw/zinc/08/14/41/569081441.db2.gz ZDEQUFJQJSTOGC-FQEVSTJZSA-N 1 1 445.510 4.471 50 0 IIAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346711 569081448 /nfs/dbraw/zinc/08/14/48/569081448.db2.gz ICJUOJJMMIEPDL-NRFANRHFSA-N 1 1 445.510 4.469 50 0 IIAAMO CC[C@@H](NC(=O)C1CC1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000006874755 569094854 /nfs/dbraw/zinc/09/48/54/569094854.db2.gz SDDFNQAYVDFAAH-QPPBQGQZSA-N 1 1 426.532 4.247 50 0 IIAAMO CC[C@@H](NC(=O)C1CC1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000006874755 569094856 /nfs/dbraw/zinc/09/48/56/569094856.db2.gz SDDFNQAYVDFAAH-QPPBQGQZSA-N 1 1 426.532 4.247 50 0 IIAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037210716 569140827 /nfs/dbraw/zinc/14/08/27/569140827.db2.gz NJFOKFGMJMJSBQ-HOTGVXAUSA-N 1 1 430.346 4.127 50 0 IIAAMO Cc1nc(-c2cccc(NC(=O)NCc3ccccc3C[N@H+]3CCC[C@H]3CO)c2)oc1C ZINC000170609697 569144703 /nfs/dbraw/zinc/14/47/03/569144703.db2.gz QMNJGDLIGQNFSY-QHCPKHFHSA-N 1 1 434.540 4.237 50 0 IIAAMO COc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662144 569160961 /nfs/dbraw/zinc/16/09/61/569160961.db2.gz IMVYGSMOAAUUMT-PMACEKPBSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662144 569160962 /nfs/dbraw/zinc/16/09/62/569160962.db2.gz IMVYGSMOAAUUMT-PMACEKPBSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1ccc(NC(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000017042559 569171637 /nfs/dbraw/zinc/17/16/37/569171637.db2.gz VKGAGRSLDYQIPZ-UHFFFAOYSA-N 1 1 432.528 4.200 50 0 IIAAMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000252489387 569186748 /nfs/dbraw/zinc/18/67/48/569186748.db2.gz JPUUZIVPOXBCIV-SEPFQZFQSA-N 1 1 448.654 4.365 50 0 IIAAMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000252489387 569186750 /nfs/dbraw/zinc/18/67/50/569186750.db2.gz JPUUZIVPOXBCIV-SEPFQZFQSA-N 1 1 448.654 4.365 50 0 IIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000002199699 569191602 /nfs/dbraw/zinc/19/16/02/569191602.db2.gz CNEAOBOAPPBZSD-LIKDZFNVSA-N 1 1 438.568 4.324 50 0 IIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000002199699 569191604 /nfs/dbraw/zinc/19/16/04/569191604.db2.gz CNEAOBOAPPBZSD-LIKDZFNVSA-N 1 1 438.568 4.324 50 0 IIAAMO COc1ccccc1-c1nnc(SCCC[NH+]2CCOCC2)n1CCc1ccccc1 ZINC000253425831 569267234 /nfs/dbraw/zinc/26/72/34/569267234.db2.gz RILVTWFZVXSHNA-UHFFFAOYSA-N 1 1 438.597 4.011 50 0 IIAAMO COc1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4cccc(Cl)c4)C3)n2)c(OC)c1OC ZINC000020211472 569356250 /nfs/dbraw/zinc/35/62/50/569356250.db2.gz KIEOIZURXIRDIT-OAHLLOKOSA-N 1 1 429.904 4.405 50 0 IIAAMO COc1ccc(-c2noc(C[N@H+]3CC[C@@H](c4cccc(Cl)c4)C3)n2)c(OC)c1OC ZINC000020211472 569356251 /nfs/dbraw/zinc/35/62/51/569356251.db2.gz KIEOIZURXIRDIT-OAHLLOKOSA-N 1 1 429.904 4.405 50 0 IIAAMO C[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000095469130 569371397 /nfs/dbraw/zinc/37/13/97/569371397.db2.gz WJBZKIMZARVSQZ-UONOGXRCSA-N 1 1 432.918 4.325 50 0 IIAAMO Cc1ncc(C[NH+]2CCSCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095474926 569372618 /nfs/dbraw/zinc/37/26/18/569372618.db2.gz LPAPLOUPJKQHPH-UHFFFAOYSA-N 1 1 436.489 4.187 50 0 IIAAMO CCN(C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095942633 569375561 /nfs/dbraw/zinc/37/55/61/569375561.db2.gz ALGDMLUEZYZRDO-FUPPJEDESA-N 1 1 436.600 4.429 50 0 IIAAMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](C)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000095991547 569378171 /nfs/dbraw/zinc/37/81/71/569378171.db2.gz YGVHUMJIIPMPEH-HNNXBMFYSA-N 1 1 434.367 4.400 50 0 IIAAMO CCCn1c(C(=O)N2CC[NH+](CC)CC2)cc2cc(NC(=O)c3ccccc3F)ccc21 ZINC000096276547 569388676 /nfs/dbraw/zinc/38/86/76/569388676.db2.gz KGNXUYXTIJPOJO-UHFFFAOYSA-N 1 1 436.531 4.220 50 0 IIAAMO CCOc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@H]3COCc3ccccc3)CC2)cc1 ZINC000225630801 569406248 /nfs/dbraw/zinc/40/62/48/569406248.db2.gz PNCGJVMKSFRMSD-VWLOTQADSA-N 1 1 436.596 4.300 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 ZINC000670417843 569409897 /nfs/dbraw/zinc/40/98/97/569409897.db2.gz SGACHQKCZOYJAM-JNDMAISQSA-N 1 1 441.660 4.311 50 0 IIAAMO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1-c1ccccc1)[NH+](C)C ZINC000002638498 569413369 /nfs/dbraw/zinc/41/33/69/569413369.db2.gz DOMNQLCJSIJAOU-FQEVSTJZSA-N 1 1 437.569 4.213 50 0 IIAAMO C[NH+]1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccncc2)CC1 ZINC000038546506 569463614 /nfs/dbraw/zinc/46/36/14/569463614.db2.gz XXVHEWRMWAFXJZ-QFIPXVFZSA-N 1 1 436.581 4.204 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205058 569464599 /nfs/dbraw/zinc/46/45/99/569464599.db2.gz GUZGBTWNSSQDFH-OAQYLSRUSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205058 569464600 /nfs/dbraw/zinc/46/46/00/569464600.db2.gz GUZGBTWNSSQDFH-OAQYLSRUSA-N 1 1 427.932 4.033 50 0 IIAAMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000039563989 569481754 /nfs/dbraw/zinc/48/17/54/569481754.db2.gz MJAOPWXTPNESHF-UHFFFAOYSA-N 1 1 441.641 4.444 50 0 IIAAMO CCC(=O)N1CCc2cc(C(=O)Nc3nc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cs3)ccc21 ZINC000040144348 569491999 /nfs/dbraw/zinc/49/19/99/569491999.db2.gz BYTOLSOYBNZPLY-HZPDHXFCSA-N 1 1 426.586 4.172 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)C1 ZINC000245235636 569500416 /nfs/dbraw/zinc/50/04/16/569500416.db2.gz MMXTVPSXLXVUFL-FKKSXTGDSA-N 1 1 439.625 4.143 50 0 IIAAMO Cc1cccc([S@](=O)Cc2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)o2)c1 ZINC000009115386 569502676 /nfs/dbraw/zinc/50/26/76/569502676.db2.gz JMPFECKJUPEYRC-HKBQPEDESA-N 1 1 436.577 4.074 50 0 IIAAMO CC(C)CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](C)O ZINC000245328791 569504005 /nfs/dbraw/zinc/50/40/05/569504005.db2.gz PROUWLVYZDGUOS-PGRDOPGGSA-N 1 1 448.604 4.121 50 0 IIAAMO Cc1cc(-c2ccc(C)c(S(=O)(=O)NC[C@@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)c2)on1 ZINC000009268710 569517567 /nfs/dbraw/zinc/51/75/67/569517567.db2.gz JFLMKKDMTVUKML-NRFANRHFSA-N 1 1 439.581 4.067 50 0 IIAAMO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C)CO2 ZINC000009777076 569567132 /nfs/dbraw/zinc/56/71/32/569567132.db2.gz PKNMZUHLHQLWKB-UHFFFAOYSA-N 1 1 432.568 4.168 50 0 IIAAMO C[N@@H+](CCCNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)Cc1ccccc1 ZINC000009919446 569573505 /nfs/dbraw/zinc/57/35/05/569573505.db2.gz SEKUXFNOQNFUHO-UHFFFAOYSA-N 1 1 428.536 4.165 50 0 IIAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009949637 569574250 /nfs/dbraw/zinc/57/42/50/569574250.db2.gz GXBFLXHNBUUJCF-INIZCTEOSA-N 1 1 434.565 4.240 50 0 IIAAMO CC[C@H](c1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)o1)[NH+](C)C ZINC000009980911 569576526 /nfs/dbraw/zinc/57/65/26/569576526.db2.gz GFDHSLFZSPAXKR-MRXNPFEDSA-N 1 1 442.589 4.296 50 0 IIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(OCc4cccnc4)c3)CC2)cc1 ZINC000071803453 569581770 /nfs/dbraw/zinc/58/17/70/569581770.db2.gz XEDCTSSXTSMKNI-UHFFFAOYSA-N 1 1 431.536 4.017 50 0 IIAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020992818 519437428 /nfs/dbraw/zinc/43/74/28/519437428.db2.gz LEAFFYREVKZLJM-DEOSSOPVSA-N 1 1 449.599 4.255 50 0 IIAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908089 519659417 /nfs/dbraw/zinc/65/94/17/519659417.db2.gz VPVXXTXZQRMNHA-IFMALSPDSA-N 1 1 437.550 4.473 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559176 520508082 /nfs/dbraw/zinc/50/80/82/520508082.db2.gz BJZOLRUXDPAJEX-NRFANRHFSA-N 1 1 443.569 4.347 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559176 520508088 /nfs/dbraw/zinc/50/80/88/520508088.db2.gz BJZOLRUXDPAJEX-NRFANRHFSA-N 1 1 443.569 4.347 50 0 IIAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560336 520509148 /nfs/dbraw/zinc/50/91/48/520509148.db2.gz KTGIGYRLXKIITI-HSZRJFAPSA-N 1 1 437.540 4.204 50 0 IIAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560336 520509155 /nfs/dbraw/zinc/50/91/55/520509155.db2.gz KTGIGYRLXKIITI-HSZRJFAPSA-N 1 1 437.540 4.204 50 0 IIAAMO CCOc1ccc([C@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444403 521277908 /nfs/dbraw/zinc/27/79/08/521277908.db2.gz SJWUHMNAKMLBIW-IAPPQJPRSA-N 1 1 447.575 4.446 50 0 IIAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012596568 521356649 /nfs/dbraw/zinc/35/66/49/521356649.db2.gz NRCVXZLWNIVZQZ-DEOSSOPVSA-N 1 1 438.959 4.309 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000012898339 521372203 /nfs/dbraw/zinc/37/22/03/521372203.db2.gz GGGYRPPCYOJBCX-UHFFFAOYSA-N 1 1 446.569 4.420 50 0 IIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734570 521657408 /nfs/dbraw/zinc/65/74/08/521657408.db2.gz SPCVDRWAFFUROT-RSZPVBOMSA-N 1 1 425.529 4.125 50 0 IIAAMO COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2CCn2ccnc2C)cc(OC)c1OC ZINC000012437414 521900497 /nfs/dbraw/zinc/90/04/97/521900497.db2.gz GWAOYTHVBQTDQB-FQEVSTJZSA-N 1 1 439.560 4.052 50 0 IIAAMO COC(=O)c1ccc(C[N@@H+]2CCOc3ccc([C@@](C)(O)COc4ccccc4)cc3C2)cc1 ZINC000012155438 522012864 /nfs/dbraw/zinc/01/28/64/522012864.db2.gz CDPDKPRMEHFQAB-MHZLTWQESA-N 1 1 447.531 4.154 50 0 IIAAMO COC(=O)c1ccc(C[N@H+]2CCOc3ccc([C@@](C)(O)COc4ccccc4)cc3C2)cc1 ZINC000012155438 522012872 /nfs/dbraw/zinc/01/28/72/522012872.db2.gz CDPDKPRMEHFQAB-MHZLTWQESA-N 1 1 447.531 4.154 50 0 IIAAMO COC(=O)c1ccc(C[N@@H+]2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)cc1 ZINC000012155444 522015265 /nfs/dbraw/zinc/01/52/65/522015265.db2.gz CDPDKPRMEHFQAB-HHHXNRCGSA-N 1 1 447.531 4.154 50 0 IIAAMO COC(=O)c1ccc(C[N@H+]2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)cc1 ZINC000012155444 522015280 /nfs/dbraw/zinc/01/52/80/522015280.db2.gz CDPDKPRMEHFQAB-HHHXNRCGSA-N 1 1 447.531 4.154 50 0 IIAAMO C[N@@H+](CCCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)Cc1ccccc1 ZINC000035560066 522768832 /nfs/dbraw/zinc/76/88/32/522768832.db2.gz KTBUIAUBSHVAPM-UHFFFAOYSA-N 1 1 430.527 4.476 50 0 IIAAMO CCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697008 523139899 /nfs/dbraw/zinc/13/98/99/523139899.db2.gz PZGAPGXDKNMPJA-XMMPIXPASA-N 1 1 437.971 4.447 50 0 IIAAMO CCc1c(C(=O)NCc2ccccc2C(F)(F)F)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000012219154 523696594 /nfs/dbraw/zinc/69/65/94/523696594.db2.gz RHJDYPUNSNTBNV-GOSISDBHSA-N 1 1 449.517 4.152 50 0 IIAAMO CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000021296771 523698875 /nfs/dbraw/zinc/69/88/75/523698875.db2.gz IIXJIKDGCYPXOQ-UHFFFAOYSA-N 1 1 438.582 4.267 50 0 IIAAMO CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000021296771 523698883 /nfs/dbraw/zinc/69/88/83/523698883.db2.gz IIXJIKDGCYPXOQ-UHFFFAOYSA-N 1 1 438.582 4.267 50 0 IIAAMO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012920434 524067687 /nfs/dbraw/zinc/06/76/87/524067687.db2.gz JCGJPOSOLBHJGU-UHFFFAOYSA-N 1 1 434.506 4.376 50 0 IIAAMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012920434 524067688 /nfs/dbraw/zinc/06/76/88/524067688.db2.gz JCGJPOSOLBHJGU-UHFFFAOYSA-N 1 1 434.506 4.376 50 0 IIAAMO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022908244 524131510 /nfs/dbraw/zinc/13/15/10/524131510.db2.gz BWGVBOLTBDNGDE-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022908244 524131520 /nfs/dbraw/zinc/13/15/20/524131520.db2.gz BWGVBOLTBDNGDE-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccco2)CC3)c1 ZINC000020917521 524370039 /nfs/dbraw/zinc/37/00/39/524370039.db2.gz ISDXVQLGWDXZTK-QFIPXVFZSA-N 1 1 435.572 4.063 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccco2)CC3)c1 ZINC000020917521 524370048 /nfs/dbraw/zinc/37/00/48/524370048.db2.gz ISDXVQLGWDXZTK-QFIPXVFZSA-N 1 1 435.572 4.063 50 0 IIAAMO COc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000020856238 524478041 /nfs/dbraw/zinc/47/80/41/524478041.db2.gz IKGBTBVSHRVDTL-NRFANRHFSA-N 1 1 433.552 4.495 50 0 IIAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021795570 524580043 /nfs/dbraw/zinc/58/00/43/524580043.db2.gz QAKHAFFALNVJAE-UHFFFAOYSA-N 1 1 434.500 4.018 50 0 IIAAMO Cc1ccc(NC(=O)N2CCC(CC(=O)NCCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000035529020 525120500 /nfs/dbraw/zinc/12/05/00/525120500.db2.gz ZUGFPNGNLLFMTE-UHFFFAOYSA-N 1 1 436.600 4.267 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)[NH+]2CCCCC2)cc1 ZINC000012804713 525357512 /nfs/dbraw/zinc/35/75/12/525357512.db2.gz YTEXIVVWKLOHNA-NRFANRHFSA-N 1 1 437.584 4.444 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000022324899 525385429 /nfs/dbraw/zinc/38/54/29/525385429.db2.gz YKIZACHROLRTSM-GASCZTMLSA-N 1 1 434.993 4.033 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000022324899 525385435 /nfs/dbraw/zinc/38/54/35/525385435.db2.gz YKIZACHROLRTSM-GASCZTMLSA-N 1 1 434.993 4.033 50 0 IIAAMO C[C@@H](NC(=S)Nc1ccc(Br)cc1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031380 525385573 /nfs/dbraw/zinc/38/55/73/525385573.db2.gz BBNVNNBGIQAVNB-UZLBHIALSA-N 1 1 447.446 4.113 50 0 IIAAMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sc2ncnc(NC3CCCC3)c12 ZINC000012211979 525637469 /nfs/dbraw/zinc/63/74/69/525637469.db2.gz BKSPUECVFRMPJT-LJQANCHMSA-N 1 1 435.597 4.359 50 0 IIAAMO Cc1ccc(-c2cn3c(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)csc3n2)cc1 ZINC000022852767 525767782 /nfs/dbraw/zinc/76/77/82/525767782.db2.gz MPSLIDAJZLYDLU-UHFFFAOYSA-N 1 1 430.577 4.258 50 0 IIAAMO COc1cccc(OC)c1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCC[N@@H+]13 ZINC000012753457 526224578 /nfs/dbraw/zinc/22/45/78/526224578.db2.gz AVKVLQLMSCASQA-KDLAUNOPSA-N 1 1 426.944 4.295 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454133 526248825 /nfs/dbraw/zinc/24/88/25/526248825.db2.gz SDOGUMCYJLYUJZ-KRWDZBQOSA-N 1 1 445.007 4.054 50 0 IIAAMO Cc1noc(C)c1COc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000021972717 526522268 /nfs/dbraw/zinc/52/22/68/526522268.db2.gz CZIIVBJFZQYNKO-UHFFFAOYSA-N 1 1 433.552 4.147 50 0 IIAAMO Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c12 ZINC000012776936 526677688 /nfs/dbraw/zinc/67/76/88/526677688.db2.gz OODRREXOXGCPBC-JOCHJYFZSA-N 1 1 430.483 4.466 50 0 IIAAMO Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c12 ZINC000012776936 526677695 /nfs/dbraw/zinc/67/76/95/526677695.db2.gz OODRREXOXGCPBC-JOCHJYFZSA-N 1 1 430.483 4.466 50 0 IIAAMO O=C(NCc1ccccc1F)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035870692 526750661 /nfs/dbraw/zinc/75/06/61/526750661.db2.gz RMMDZNHRORDELP-BVAGGSTKSA-N 1 1 447.529 4.144 50 0 IIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000012909740 526890835 /nfs/dbraw/zinc/89/08/35/526890835.db2.gz XVFWPQAZSAWKNS-DEOSSOPVSA-N 1 1 439.556 4.037 50 0 IIAAMO C[NH+]1CCN(c2ccc(NC(=O)NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000008444753 536423275 /nfs/dbraw/zinc/42/32/75/536423275.db2.gz OMFRSFBAAATDIA-UHFFFAOYSA-N 1 1 441.746 4.361 50 0 IIAAMO COc1ccc(C[NH+]2CCC(N(C(=O)C(C)C)c3ccccc3)CC2)c(OC)c1OC ZINC000034683472 555819166 /nfs/dbraw/zinc/81/91/66/555819166.db2.gz JDOAHNDQLQYHIW-UHFFFAOYSA-N 1 1 426.557 4.366 50 0 IIAAMO CC[C@H](NC(=O)C(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000006874894 556107533 /nfs/dbraw/zinc/10/75/33/556107533.db2.gz ATGNGHHMCJVJNU-URXFXBBRSA-N 1 1 428.548 4.493 50 0 IIAAMO CC[C@H](NC(=O)C(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000006874894 556107537 /nfs/dbraw/zinc/10/75/37/556107537.db2.gz ATGNGHHMCJVJNU-URXFXBBRSA-N 1 1 428.548 4.493 50 0 IIAAMO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000009830261 556310335 /nfs/dbraw/zinc/31/03/35/556310335.db2.gz FBNGCIPQCXPZJX-LJQANCHMSA-N 1 1 439.600 4.187 50 0 IIAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000009831800 556312745 /nfs/dbraw/zinc/31/27/45/556312745.db2.gz PBCCEPWBHDJHJD-QHCPKHFHSA-N 1 1 436.596 4.397 50 0 IIAAMO O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757088 556324699 /nfs/dbraw/zinc/32/46/99/556324699.db2.gz SRCMXBDSSQIDDK-JOCHJYFZSA-N 1 1 436.577 4.417 50 0 IIAAMO CSc1cccc(NC(=S)N(CCC[NH+]2CCN(C)CC2)Cc2cccs2)c1 ZINC000022920473 556340271 /nfs/dbraw/zinc/34/02/71/556340271.db2.gz UQNIQQMLYLZLQM-UHFFFAOYSA-N 1 1 434.700 4.307 50 0 IIAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC000011821443 556362715 /nfs/dbraw/zinc/36/27/15/556362715.db2.gz QVAATPOKFFMTTP-OAQYLSRUSA-N 1 1 433.596 4.143 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)c(OC)c1 ZINC000011879901 556372185 /nfs/dbraw/zinc/37/21/85/556372185.db2.gz SHZGRWNKCGPRQG-GOSISDBHSA-N 1 1 444.547 4.160 50 0 IIAAMO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1Cl ZINC000014196506 556388103 /nfs/dbraw/zinc/38/81/03/556388103.db2.gz BULYKOTUPQRBIV-NRFANRHFSA-N 1 1 428.964 4.003 50 0 IIAAMO O=C(CCC1CCN(c2ncccc2Cl)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012056524 556394243 /nfs/dbraw/zinc/39/42/43/556394243.db2.gz BFLXJOWMIUWVGI-OAQYLSRUSA-N 1 1 426.992 4.122 50 0 IIAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)CCc2nc(-c3ccccc3)no2)C1 ZINC000012057059 556394551 /nfs/dbraw/zinc/39/45/51/556394551.db2.gz GOMMEZFAVPNSPB-QFIPXVFZSA-N 1 1 432.568 4.082 50 0 IIAAMO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012057742 556394939 /nfs/dbraw/zinc/39/49/39/556394939.db2.gz AXZSQEPUJYOBBA-QFIPXVFZSA-N 1 1 441.938 4.076 50 0 IIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000032857842 556434137 /nfs/dbraw/zinc/43/41/37/556434137.db2.gz YOXIIDSDSQKFIW-ZDUSSCGKSA-N 1 1 448.752 4.315 50 0 IIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000032857842 556434139 /nfs/dbraw/zinc/43/41/39/556434139.db2.gz YOXIIDSDSQKFIW-ZDUSSCGKSA-N 1 1 448.752 4.315 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288880 556448585 /nfs/dbraw/zinc/44/85/85/556448585.db2.gz ASRAPIBNPAQUBA-NRFANRHFSA-N 1 1 434.536 4.375 50 0 IIAAMO COc1cc(CNc2nc(C)c(-c3ccn(C[C@@H]4CCC[N@@H+](C)C4)n3)s2)cc(OC)c1 ZINC000014879445 556452775 /nfs/dbraw/zinc/45/27/75/556452775.db2.gz WRGYRFNJOKMCDV-QGZVFWFLSA-N 1 1 441.601 4.286 50 0 IIAAMO O=C(CSCc1cc(-c2cccs2)on1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000070038265 556460154 /nfs/dbraw/zinc/46/01/54/556460154.db2.gz PEEINGPROYYGFQ-UHFFFAOYSA-N 1 1 427.595 4.023 50 0 IIAAMO Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1NC(=O)c1ccccc1 ZINC000029090972 556467465 /nfs/dbraw/zinc/46/74/65/556467465.db2.gz DAHPERGSECGHRS-UHFFFAOYSA-N 1 1 427.548 4.248 50 0 IIAAMO COc1cc(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)ccc1F ZINC000014976096 556468826 /nfs/dbraw/zinc/46/88/26/556468826.db2.gz GVROKSVHOWTVQR-IBGZPJMESA-N 1 1 430.593 4.192 50 0 IIAAMO CCCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000013117303 556469572 /nfs/dbraw/zinc/46/95/72/556469572.db2.gz CTNMZXNMRMHTSE-UHFFFAOYSA-N 1 1 432.568 4.275 50 0 IIAAMO COc1cc(C[N@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)ccc1OC(F)F ZINC000029253625 556470810 /nfs/dbraw/zinc/47/08/10/556470810.db2.gz UJTVOXKFRAJORY-OAHLLOKOSA-N 1 1 435.471 4.082 50 0 IIAAMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)ccc1OC(F)F ZINC000029253625 556470814 /nfs/dbraw/zinc/47/08/14/556470814.db2.gz UJTVOXKFRAJORY-OAHLLOKOSA-N 1 1 435.471 4.082 50 0 IIAAMO COc1cc(NC(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1NC(C)=O ZINC000072289426 556485252 /nfs/dbraw/zinc/48/52/52/556485252.db2.gz OHZOLLASUONXCB-QHCPKHFHSA-N 1 1 438.572 4.248 50 0 IIAAMO Cc1nc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n(C2CCCCC2)c1C ZINC000029991950 556488608 /nfs/dbraw/zinc/48/86/08/556488608.db2.gz XJOASXCZOOEGNQ-UHFFFAOYSA-N 1 1 448.677 4.249 50 0 IIAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000013594289 556531700 /nfs/dbraw/zinc/53/17/00/556531700.db2.gz YUYJVZYZSCLFPA-LJQANCHMSA-N 1 1 431.527 4.376 50 0 IIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000039357082 556628030 /nfs/dbraw/zinc/62/80/30/556628030.db2.gz WAUKMIDDXCQJPJ-JWQCQUIFSA-N 1 1 435.612 4.301 50 0 IIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1nc(-n2cccc2)sc1C(C)C ZINC000409413607 556641089 /nfs/dbraw/zinc/64/10/89/556641089.db2.gz JKICIJUVTRGFOR-VQTJNVASSA-N 1 1 444.645 4.410 50 0 biogenic IIAAMO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000072313594 556693921 /nfs/dbraw/zinc/69/39/21/556693921.db2.gz NXYNKVNHFOSILY-SFTDATJTSA-N 1 1 434.584 4.439 50 0 IIAAMO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000072313594 556693923 /nfs/dbraw/zinc/69/39/23/556693923.db2.gz NXYNKVNHFOSILY-SFTDATJTSA-N 1 1 434.584 4.439 50 0 IIAAMO OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019203912 556707840 /nfs/dbraw/zinc/70/78/40/556707840.db2.gz PLDUPXSUYLZYBN-UHFFFAOYSA-N 1 1 437.531 4.308 50 0 fda IIAAMO CC(C)n1cc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000019224025 556716709 /nfs/dbraw/zinc/71/67/09/556716709.db2.gz XKZFVQHJIVWCAC-QFIPXVFZSA-N 1 1 435.538 4.269 50 0 IIAAMO CC(C)n1cc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000019224025 556716713 /nfs/dbraw/zinc/71/67/13/556716713.db2.gz XKZFVQHJIVWCAC-QFIPXVFZSA-N 1 1 435.538 4.269 50 0 IIAAMO COCCN(Cc1cc(OC)cc(OC)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055089855 556734394 /nfs/dbraw/zinc/73/43/94/556734394.db2.gz LVOKHKZEUIKTKU-NRFANRHFSA-N 1 1 438.612 4.032 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)cc1OC ZINC000019336280 556738513 /nfs/dbraw/zinc/73/85/13/556738513.db2.gz RHRYVKJUMLHBML-JOCHJYFZSA-N 1 1 428.621 4.237 50 0 IIAAMO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc(Cl)s3)CC2)c(Cl)c1 ZINC000055371225 556740803 /nfs/dbraw/zinc/74/08/03/556740803.db2.gz CYQWDLMNJVUEAI-UHFFFAOYSA-N 1 1 443.396 4.475 50 0 IIAAMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105496 556758483 /nfs/dbraw/zinc/75/84/83/556758483.db2.gz SPQGIRGQNAYYAE-HSZRJFAPSA-N 1 1 434.536 4.063 50 0 IIAAMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105496 556758486 /nfs/dbraw/zinc/75/84/86/556758486.db2.gz SPQGIRGQNAYYAE-HSZRJFAPSA-N 1 1 434.536 4.063 50 0 IIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000058166953 556767131 /nfs/dbraw/zinc/76/71/31/556767131.db2.gz ZTTKBWKOPAIVII-KRWDZBQOSA-N 1 1 444.576 4.221 50 0 IIAAMO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000058173666 556768821 /nfs/dbraw/zinc/76/88/21/556768821.db2.gz LXQCDYOFFCOTBI-JOCHJYFZSA-N 1 1 427.957 4.144 50 0 IIAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+](C(C)C)C1CCCCC1 ZINC000058266280 556776820 /nfs/dbraw/zinc/77/68/20/556776820.db2.gz NDAOXBZGDXDFCK-UHFFFAOYSA-N 1 1 447.620 4.302 50 0 IIAAMO Clc1cccc(C[N@H+]2CCC[C@H](c3nc4c5cnn(-c6ccccc6)c5ncn4n3)C2)c1 ZINC000019639476 556836981 /nfs/dbraw/zinc/83/69/81/556836981.db2.gz VEGZBUVEJPFQCJ-SFHVURJKSA-N 1 1 443.942 4.496 50 0 IIAAMO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000015955193 556880505 /nfs/dbraw/zinc/88/05/05/556880505.db2.gz OIPMLQRSGHHVDU-QGUKFAFCSA-N 1 1 436.552 4.339 50 0 biogenic IIAAMO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000015955193 556880508 /nfs/dbraw/zinc/88/05/08/556880508.db2.gz OIPMLQRSGHHVDU-QGUKFAFCSA-N 1 1 436.552 4.339 50 0 biogenic IIAAMO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)cc1C ZINC000019831684 556926716 /nfs/dbraw/zinc/92/67/16/556926716.db2.gz VJOSXTDZEAPVGQ-SANMLTNESA-N 1 1 444.575 4.096 50 0 IIAAMO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c1C ZINC000019908962 556942816 /nfs/dbraw/zinc/94/28/16/556942816.db2.gz MOPMTTNZFNAOHN-VWLOTQADSA-N 1 1 444.575 4.096 50 0 IIAAMO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000020388997 557012326 /nfs/dbraw/zinc/01/23/26/557012326.db2.gz HUZOJCLKTNNTOQ-UHFFFAOYSA-N 1 1 426.467 4.259 50 0 IIAAMO CCCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032306 557024788 /nfs/dbraw/zinc/02/47/88/557024788.db2.gz YWQUWSLFKZLCJP-UHFFFAOYSA-N 1 1 434.565 4.315 50 0 IIAAMO CCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032306 557024789 /nfs/dbraw/zinc/02/47/89/557024789.db2.gz YWQUWSLFKZLCJP-UHFFFAOYSA-N 1 1 434.565 4.315 50 0 IIAAMO O=C(CCNc1ncccn1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000048230890 557048863 /nfs/dbraw/zinc/04/88/63/557048863.db2.gz VQJAUMIFDABMKV-UHFFFAOYSA-N 1 1 441.988 4.005 50 0 IIAAMO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000048288983 557053999 /nfs/dbraw/zinc/05/39/99/557053999.db2.gz PPPRGTDZSRSXHX-CYBMUJFWSA-N 1 1 428.286 4.335 50 0 IIAAMO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000048288983 557054005 /nfs/dbraw/zinc/05/40/05/557054005.db2.gz PPPRGTDZSRSXHX-CYBMUJFWSA-N 1 1 428.286 4.335 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000023055439 557060834 /nfs/dbraw/zinc/06/08/34/557060834.db2.gz RWJHZONSCHATCA-VWLOTQADSA-N 1 1 437.584 4.083 50 0 IIAAMO CNC(=O)c1ccc(C[N@@H+](CCC(=O)Nc2ccccc2Cl)Cc2ccco2)cc1 ZINC000023186227 557071592 /nfs/dbraw/zinc/07/15/92/557071592.db2.gz HKQUIBCSJNNBPJ-UHFFFAOYSA-N 1 1 425.916 4.324 50 0 IIAAMO Cc1cc(Nc2ccc(NC(=O)Cn3cnc4ccccc43)cc2)nc(N2CCCC2)[nH+]1 ZINC000049028135 557088620 /nfs/dbraw/zinc/08/86/20/557088620.db2.gz GTUYBUWFQZQIBL-UHFFFAOYSA-N 1 1 427.512 4.117 50 0 IIAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000011344555 557103454 /nfs/dbraw/zinc/10/34/54/557103454.db2.gz PSYUXICVBIAJTG-SFHVURJKSA-N 1 1 430.508 4.280 50 0 IIAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000011344555 557103459 /nfs/dbraw/zinc/10/34/59/557103459.db2.gz PSYUXICVBIAJTG-SFHVURJKSA-N 1 1 430.508 4.280 50 0 IIAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000023907826 557124537 /nfs/dbraw/zinc/12/45/37/557124537.db2.gz JXMVFBOCRFRISR-UHFFFAOYSA-N 1 1 425.554 4.321 50 0 IIAAMO COc1ccc([C@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)[NH+]2CCCC2)cc1 ZINC000023994209 557130532 /nfs/dbraw/zinc/13/05/32/557130532.db2.gz LXVIOKKPYJIXEV-SFHVURJKSA-N 1 1 429.369 4.117 50 0 IIAAMO COc1ccc(CC[N@@H+](C)C[C@H](O)COC(c2ccccc2)c2ccccc2)cc1OC ZINC000025357911 557205958 /nfs/dbraw/zinc/20/59/58/557205958.db2.gz DVUOZSWYDINZHG-DEOSSOPVSA-N 1 1 435.564 4.345 50 0 IIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000604404062 557246562 /nfs/dbraw/zinc/24/65/62/557246562.db2.gz ASYVPXIMHJUKTJ-QTJGBDASSA-N 1 1 431.621 4.315 50 0 biogenic IIAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5CC(=O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000102697659 557364914 /nfs/dbraw/zinc/36/49/14/557364914.db2.gz HIDAYMRWVVNXAO-UXKZAQSBSA-N 1 1 427.629 4.095 50 0 biogenic IIAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000102749177 557379231 /nfs/dbraw/zinc/37/92/31/557379231.db2.gz ZXXBAAIJVVBJMR-RCXJIHSJSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000102749177 557379234 /nfs/dbraw/zinc/37/92/34/557379234.db2.gz ZXXBAAIJVVBJMR-RCXJIHSJSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000102738340 557379852 /nfs/dbraw/zinc/37/98/52/557379852.db2.gz WTPLCNNGJKQFFS-QGDZQMKYSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000102738340 557379856 /nfs/dbraw/zinc/37/98/56/557379856.db2.gz WTPLCNNGJKQFFS-QGDZQMKYSA-N 1 1 438.568 4.319 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105018883 557473021 /nfs/dbraw/zinc/47/30/21/557473021.db2.gz WYISCOCJHXSOHA-UKILVPOCSA-N 1 1 426.576 4.481 50 0 IIAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042290 557473567 /nfs/dbraw/zinc/47/35/67/557473567.db2.gz WATQNWWNWFVCAS-KCWPFWIISA-N 1 1 449.570 4.437 50 0 IIAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c1 ZINC000106535637 557530152 /nfs/dbraw/zinc/53/01/52/557530152.db2.gz XXAKPPYKBYUAGJ-WBADGQHESA-N 1 1 428.532 4.434 50 0 IIAAMO C[N@H+](Cc1cccc(Cl)c1)[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccccc1 ZINC000108951015 557544863 /nfs/dbraw/zinc/54/48/63/557544863.db2.gz ZLAZUWXJRJVJDH-PKTZIBPZSA-N 1 1 426.969 4.416 50 0 IIAAMO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccccc1 ZINC000108951015 557544867 /nfs/dbraw/zinc/54/48/67/557544867.db2.gz ZLAZUWXJRJVJDH-PKTZIBPZSA-N 1 1 426.969 4.416 50 0 IIAAMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000225759036 557773758 /nfs/dbraw/zinc/77/37/58/557773758.db2.gz SGZUPKUMYMSAEQ-VWLOTQADSA-N 1 1 443.591 4.377 50 0 IIAAMO Cc1oc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000096396480 557805920 /nfs/dbraw/zinc/80/59/20/557805920.db2.gz NBMWGOXRONMETQ-UHFFFAOYSA-N 1 1 439.531 4.085 50 0 IIAAMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C1CCCCC1 ZINC000024992251 557830202 /nfs/dbraw/zinc/83/02/02/557830202.db2.gz COOQSIKCCUJYOE-UHFFFAOYSA-N 1 1 427.570 4.137 50 0 IIAAMO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)cc(=O)c2c1 ZINC000238881569 557841724 /nfs/dbraw/zinc/84/17/24/557841724.db2.gz AVOBSAPQHIMKAG-SFHVURJKSA-N 1 1 432.442 4.461 50 0 IIAAMO COc1cc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc(OC)c1 ZINC000008583925 562949931 /nfs/dbraw/zinc/94/99/31/562949931.db2.gz KYOQFBMBDIWORM-OAHLLOKOSA-N 1 1 440.569 4.427 50 0 IIAAMO CC[N@@H+](CCCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O)Cc1ccccc1 ZINC000008595937 562953699 /nfs/dbraw/zinc/95/36/99/562953699.db2.gz VUSHRGIBKOFOAG-UHFFFAOYSA-N 1 1 433.577 4.395 50 0 IIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccccc1 ZINC000008642518 562960123 /nfs/dbraw/zinc/96/01/23/562960123.db2.gz RNXGKDMTHSZFKJ-OAQYLSRUSA-N 1 1 449.532 4.393 50 0 IIAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccccc1 ZINC000008642518 562960124 /nfs/dbraw/zinc/96/01/24/562960124.db2.gz RNXGKDMTHSZFKJ-OAQYLSRUSA-N 1 1 449.532 4.393 50 0 IIAAMO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cn(C)nc3-c3ccccc3)[N@@H+]3CCC[C@@]23C1=O ZINC000011873657 562979637 /nfs/dbraw/zinc/97/96/37/562979637.db2.gz DTXAXMOJMCSHIW-DPPGTGKWSA-N 1 1 426.564 4.334 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088463 563142286 /nfs/dbraw/zinc/14/22/86/563142286.db2.gz FFAJGHUXRKCSDT-LJQANCHMSA-N 1 1 432.992 4.449 50 0 IIAAMO C[C@@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085997927 563179985 /nfs/dbraw/zinc/17/99/85/563179985.db2.gz RAGAQGITTWHNKI-GCJKJVERSA-N 1 1 425.623 4.487 50 0 IIAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982884 568622707 /nfs/dbraw/zinc/62/27/07/568622707.db2.gz KYOBJHSFUQMOCH-NHCUHLMSSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982884 568622709 /nfs/dbraw/zinc/62/27/09/568622709.db2.gz KYOBJHSFUQMOCH-NHCUHLMSSA-N 1 1 434.939 4.260 50 0 IIAAMO O=C(NCc1cccnc1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cccs1 ZINC000299754854 568755210 /nfs/dbraw/zinc/75/52/10/568755210.db2.gz AATDETUCLYCEKU-RTWAWAEBSA-N 1 1 427.570 4.334 50 0 IIAAMO O=C(NCc1cccnc1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cccs1 ZINC000299754854 568755212 /nfs/dbraw/zinc/75/52/12/568755212.db2.gz AATDETUCLYCEKU-RTWAWAEBSA-N 1 1 427.570 4.334 50 0 IIAAMO CCCCS[C@H]1CCCC[C@@H]1OC(=O)CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586683 568759436 /nfs/dbraw/zinc/75/94/36/568759436.db2.gz WXRHXRQJLTZHBC-MXNKGDRCSA-N 1 1 432.630 4.045 50 0 biogenic IIAAMO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000032031378 568762090 /nfs/dbraw/zinc/76/20/90/568762090.db2.gz DNTVMYBQDIACMN-UHFFFAOYSA-N 1 1 430.529 4.480 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1 ZINC000084692279 568799938 /nfs/dbraw/zinc/79/99/38/568799938.db2.gz SCZLBYLRMMQUBF-GOSISDBHSA-N 1 1 430.618 4.422 50 0 IIAAMO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2-n2cccc2)cc1 ZINC000015681281 568806512 /nfs/dbraw/zinc/80/65/12/568806512.db2.gz ZYQUNGWIGANSPX-UHFFFAOYSA-N 1 1 439.563 4.150 50 0 IIAAMO O=C(Cc1ccccc1)N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl ZINC000016041254 568868197 /nfs/dbraw/zinc/86/81/97/568868197.db2.gz VXOCOWBDBQLXEI-ZIFCJYIRSA-N 1 1 433.807 4.323 50 0 IIAAMO COc1ccc(C(=O)N[C@H](OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)C(Cl)(Cl)Cl)cc1 ZINC000016041380 568868235 /nfs/dbraw/zinc/86/82/35/568868235.db2.gz ATPAPKBRPPCFQM-HHXXYDBFSA-N 1 1 449.806 4.402 50 0 IIAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccs1 ZINC000016041411 568868315 /nfs/dbraw/zinc/86/83/15/568868315.db2.gz RVESFUQJOGLCIX-DVOMOZLQSA-N 1 1 425.809 4.455 50 0 IIAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036095772 568951555 /nfs/dbraw/zinc/95/15/55/568951555.db2.gz DCAXYCUXXBQDQO-QFIPXVFZSA-N 1 1 437.536 4.155 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145977 568962277 /nfs/dbraw/zinc/96/22/77/568962277.db2.gz KYOBJHSFUQMOCH-SFTDATJTSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145977 568962278 /nfs/dbraw/zinc/96/22/78/568962278.db2.gz KYOBJHSFUQMOCH-SFTDATJTSA-N 1 1 434.939 4.260 50 0 IIAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147067 568962531 /nfs/dbraw/zinc/96/25/31/568962531.db2.gz FEPWIGORRUUXNZ-UKILVPOCSA-N 1 1 434.511 4.261 50 0 IIAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147067 568962532 /nfs/dbraw/zinc/96/25/32/568962532.db2.gz FEPWIGORRUUXNZ-UKILVPOCSA-N 1 1 434.511 4.261 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000169679020 568990194 /nfs/dbraw/zinc/99/01/94/568990194.db2.gz HUUSDDMAXNKQPA-BVAGGSTKSA-N 1 1 446.547 4.130 50 0 IIAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169680310 568990838 /nfs/dbraw/zinc/99/08/38/568990838.db2.gz FEPWIGORRUUXNZ-NOZRDPDXSA-N 1 1 434.511 4.261 50 0 IIAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169680310 568990839 /nfs/dbraw/zinc/99/08/39/568990839.db2.gz FEPWIGORRUUXNZ-NOZRDPDXSA-N 1 1 434.511 4.261 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 ZINC000064942916 568992163 /nfs/dbraw/zinc/99/21/63/568992163.db2.gz ZXZHNEAJYJQWFH-LJQANCHMSA-N 1 1 437.009 4.170 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC ZINC000036304206 568994498 /nfs/dbraw/zinc/99/44/98/568994498.db2.gz KYEVRLVBVFJQAJ-HXUWFJFHSA-N 1 1 445.510 4.471 50 0 IIAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306012 568995323 /nfs/dbraw/zinc/99/53/23/568995323.db2.gz CJLQARGRRACPPH-FQEVSTJZSA-N 1 1 439.556 4.107 50 0 IIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](C)O)C[C@H]1CCCO1 ZINC000036342105 569079646 /nfs/dbraw/zinc/07/96/46/569079646.db2.gz YCSXVLAKFBACGQ-WZONZLPQSA-N 1 1 439.531 4.474 50 0 IIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](C)O)C[C@H]1CCCO1 ZINC000036342105 569079647 /nfs/dbraw/zinc/07/96/47/569079647.db2.gz YCSXVLAKFBACGQ-WZONZLPQSA-N 1 1 439.531 4.474 50 0 IIAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036344360 569080057 /nfs/dbraw/zinc/08/00/57/569080057.db2.gz JBZPABTVFYOWMO-XMMPIXPASA-N 1 1 435.568 4.484 50 0 IIAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000036345520 569080623 /nfs/dbraw/zinc/08/06/23/569080623.db2.gz PVDXKFXJLMCSEA-RUZDIDTESA-N 1 1 442.563 4.084 50 0 IIAAMO CC[C@@H](NC(=O)C1CC1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000006874757 569094885 /nfs/dbraw/zinc/09/48/85/569094885.db2.gz SDDFNQAYVDFAAH-ZJSXRUAMSA-N 1 1 426.532 4.247 50 0 IIAAMO CC[C@@H](NC(=O)C1CC1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000006874757 569094886 /nfs/dbraw/zinc/09/48/86/569094886.db2.gz SDDFNQAYVDFAAH-ZJSXRUAMSA-N 1 1 426.532 4.247 50 0 IIAAMO CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+](C)C2CCCCC2)[C@H]1c1cccs1 ZINC000006875500 569095094 /nfs/dbraw/zinc/09/50/94/569095094.db2.gz GCIJTONOPNGJLN-FCHUYYIVSA-N 1 1 425.598 4.039 50 0 IIAAMO O=C(C[NH+]1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccc(F)cc1 ZINC000065184252 569114042 /nfs/dbraw/zinc/11/40/42/569114042.db2.gz FRJUONLEZBTIMO-UHFFFAOYSA-N 1 1 428.895 4.025 50 0 IIAAMO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200150 569115138 /nfs/dbraw/zinc/11/51/38/569115138.db2.gz JTGFBTXVRHLAFR-UHFFFAOYSA-N 1 1 438.519 4.110 50 0 IIAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)CCCc4ccccc4)CC3)n2)CC1 ZINC000065200661 569115175 /nfs/dbraw/zinc/11/51/75/569115175.db2.gz QWURHPVSUFXQSP-UHFFFAOYSA-N 1 1 426.630 4.047 50 0 IIAAMO CC(C)C[NH+]1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)CC1 ZINC000065201483 569116193 /nfs/dbraw/zinc/11/61/93/569116193.db2.gz BEXYLTDBMAELIM-UHFFFAOYSA-N 1 1 446.016 4.014 50 0 IIAAMO CCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3ccc(Br)cc3)CC2)n1 ZINC000065257906 569124273 /nfs/dbraw/zinc/12/42/73/569124273.db2.gz YAUVVWSVYCSQHQ-UHFFFAOYSA-N 1 1 442.361 4.169 50 0 IIAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037210703 569140824 /nfs/dbraw/zinc/14/08/24/569140824.db2.gz VMSCUJJAWUUCAI-RBUKOAKNSA-N 1 1 440.565 4.127 50 0 IIAAMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000170613043 569146114 /nfs/dbraw/zinc/14/61/14/569146114.db2.gz UFOOOFOLFMRVQS-UHFFFAOYSA-N 1 1 436.552 4.189 50 0 IIAAMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000170613043 569146116 /nfs/dbraw/zinc/14/61/16/569146116.db2.gz UFOOOFOLFMRVQS-UHFFFAOYSA-N 1 1 436.552 4.189 50 0 IIAAMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)n1 ZINC000170618061 569147028 /nfs/dbraw/zinc/14/70/28/569147028.db2.gz DXBLWQXENKCUBD-KRWDZBQOSA-N 1 1 427.549 4.304 50 0 IIAAMO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000014205222 569158113 /nfs/dbraw/zinc/15/81/13/569158113.db2.gz OGQSAKJIEBWBGV-UHFFFAOYSA-N 1 1 430.483 4.295 50 0 IIAAMO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)c1ccco1 ZINC000089967806 569169290 /nfs/dbraw/zinc/16/92/90/569169290.db2.gz MDRBZFLSTZOLCS-FQEVSTJZSA-N 1 1 426.586 4.193 50 0 IIAAMO O=C(Cc1ccccc1)N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000002129612 569184334 /nfs/dbraw/zinc/18/43/34/569184334.db2.gz VXOCOWBDBQLXEI-ZHALLVOQSA-N 1 1 433.807 4.323 50 0 IIAAMO CC[NH+]1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)c(C)c3)c2C)CC1 ZINC000020437118 569365531 /nfs/dbraw/zinc/36/55/31/569365531.db2.gz HUYYFCSSSRDYOT-UHFFFAOYSA-N 1 1 433.600 4.059 50 0 IIAAMO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000095947442 569376464 /nfs/dbraw/zinc/37/64/64/569376464.db2.gz FWQNTUUZWCWWAX-IBGZPJMESA-N 1 1 444.004 4.005 50 0 IIAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000057303820 569430675 /nfs/dbraw/zinc/43/06/75/569430675.db2.gz VIQXUYFSDSXGQI-AREMUKBSSA-N 1 1 429.520 4.140 50 0 IIAAMO Cc1ccc(OCC(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)cc1C ZINC000040114370 569489055 /nfs/dbraw/zinc/48/90/55/569489055.db2.gz BOHFCLOFJDDYMT-SFHVURJKSA-N 1 1 427.520 4.273 50 0 IIAAMO Cc1ccc(OCC(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)cc1C ZINC000040114370 569489056 /nfs/dbraw/zinc/48/90/56/569489056.db2.gz BOHFCLOFJDDYMT-SFHVURJKSA-N 1 1 427.520 4.273 50 0 IIAAMO O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040158620 569494617 /nfs/dbraw/zinc/49/46/17/569494617.db2.gz WNCVFKLYXVHELF-LJQANCHMSA-N 1 1 446.517 4.098 50 0 IIAAMO COc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000009250753 569515732 /nfs/dbraw/zinc/51/57/32/569515732.db2.gz VXCFFNNPPGMQND-LJQANCHMSA-N 1 1 432.948 4.323 50 0 IIAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@H]4C[C@H]4c4ccccc4F)CC3)n2)cc1 ZINC000070019802 569528850 /nfs/dbraw/zinc/52/88/50/569528850.db2.gz BDJAKKTWILDDPD-VXKWHMMOSA-N 1 1 448.542 4.065 50 0 IIAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000009630278 569553584 /nfs/dbraw/zinc/55/35/84/569553584.db2.gz BSOVFBHVVWJOFS-UHFFFAOYSA-N 1 1 438.018 4.388 50 0 IIAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000009630278 569553585 /nfs/dbraw/zinc/55/35/85/569553585.db2.gz BSOVFBHVVWJOFS-UHFFFAOYSA-N 1 1 438.018 4.388 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000010277092 569580401 /nfs/dbraw/zinc/58/04/01/569580401.db2.gz RDDZUVGDAVTKEY-UHFFFAOYSA-N 1 1 433.596 4.007 50 0 IIAAMO CCC[C@H](NC(=O)Nc1ccc(SC)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035687911 569587766 /nfs/dbraw/zinc/58/77/66/569587766.db2.gz PMGDOGDEHSQRBB-QFIPXVFZSA-N 1 1 440.613 4.043 50 0 IIAAMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000001151399 132237572 /nfs/dbraw/zinc/23/75/72/132237572.db2.gz OXNXVQTZXYLPED-UHFFFAOYSA-N 1 1 429.539 4.346 50 0 IIAAMO CC(C)Cc1nc2sc3c(ncnc3N3CC[NH+](C)CC3)c2c2c1COC(C)(C)C2 ZINC000005047350 132274825 /nfs/dbraw/zinc/27/48/25/132274825.db2.gz OCTPXDPVHDLWCP-UHFFFAOYSA-N 1 1 425.602 4.041 50 0 IIAAMO Cc1nc2ccccc2c2oc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc21 ZINC000009612364 132323556 /nfs/dbraw/zinc/32/35/56/132323556.db2.gz ZOLKOIJZTXUAGT-UHFFFAOYSA-N 1 1 446.526 4.371 50 0 IIAAMO C(=C/c1ccccc1)\C[NH+]1CCN(c2nc3ccccc3c(NC[C@H]3CCCO3)n2)CC1 ZINC000041151805 518371543 /nfs/dbraw/zinc/37/15/43/518371543.db2.gz ZJHZFMAYMSXNFA-MOVYNIQHSA-N 1 1 429.568 4.056 50 0 IIAAMO C/C=C(\C)C(=O)N1CCC([C@@H](Cc2ccccc2F)[N@@H+](C)Cc2cn(C)nc2C)CC1 ZINC000020783298 518480219 /nfs/dbraw/zinc/48/02/19/518480219.db2.gz OSFUDNORONTISZ-BXOFLIMVSA-N 1 1 426.580 4.116 50 0 IIAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000012201241 519716472 /nfs/dbraw/zinc/71/64/72/519716472.db2.gz GWEWFMIBHNDXSU-GOSISDBHSA-N 1 1 429.511 4.232 50 0 IIAAMO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000013048993 519798314 /nfs/dbraw/zinc/79/83/14/519798314.db2.gz UNNCITIJUFOXEZ-WIYYLYMNSA-N 1 1 448.394 4.139 50 0 IIAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCc2ccccc2Br)C1 ZINC000078935309 520255137 /nfs/dbraw/zinc/25/51/37/520255137.db2.gz LRQUOWMHXLUMSF-QGZVFWFLSA-N 1 1 431.374 4.442 50 0 IIAAMO CCCC[N@@H+](C)CCNC(=O)CN1c2ccccc2S/C(=C\c2ccc(C)cc2)C1=O ZINC000020726561 520404324 /nfs/dbraw/zinc/40/43/24/520404324.db2.gz KHDAFOOMNYKQAU-QJOMJCCJSA-N 1 1 437.609 4.323 50 0 IIAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041098048 520836971 /nfs/dbraw/zinc/83/69/71/520836971.db2.gz JPHBXMQYIQXKBI-SFHVURJKSA-N 1 1 448.548 4.085 50 0 IIAAMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2C)CC1 ZINC000036628382 521124467 /nfs/dbraw/zinc/12/44/67/521124467.db2.gz XMVRBKGVESWLBG-UHFFFAOYSA-N 1 1 425.536 4.455 50 0 IIAAMO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012596565 521180174 /nfs/dbraw/zinc/18/01/74/521180174.db2.gz NRCVXZLWNIVZQZ-XMMPIXPASA-N 1 1 438.959 4.309 50 0 IIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1cccnc1SC ZINC000012474159 521263272 /nfs/dbraw/zinc/26/32/72/521263272.db2.gz QHAMFSPQEMQJPC-FQEVSTJZSA-N 1 1 427.614 4.229 50 0 IIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(CC(C)C)on1 ZINC000012572322 521264274 /nfs/dbraw/zinc/26/42/74/521264274.db2.gz CSTKXBLNEASBAR-NRFANRHFSA-N 1 1 427.589 4.299 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2ccc(OC)cc2)C1 ZINC000012298417 521301453 /nfs/dbraw/zinc/30/14/53/521301453.db2.gz RMTPPSFFYKIMGC-IBGZPJMESA-N 1 1 437.515 4.462 50 0 IIAAMO CC[C@H](NC(=O)NC(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000036048486 522435339 /nfs/dbraw/zinc/43/53/39/522435339.db2.gz LBBNJWNVAZKHAZ-URXFXBBRSA-N 1 1 443.563 4.429 50 0 IIAAMO CC[C@H](NC(=O)NC(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000036048486 522435350 /nfs/dbraw/zinc/43/53/50/522435350.db2.gz LBBNJWNVAZKHAZ-URXFXBBRSA-N 1 1 443.563 4.429 50 0 IIAAMO C[N@H+](Cc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O)C[C@@H](O)c1ccccc1 ZINC000020600848 523186338 /nfs/dbraw/zinc/18/63/38/523186338.db2.gz NCOIHVQXDDVYOU-XMMPIXPASA-N 1 1 433.939 4.264 50 0 IIAAMO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1cccc(Cl)c1 ZINC000035843565 523237898 /nfs/dbraw/zinc/23/78/98/523237898.db2.gz QFHCNQKDDMRLDX-HSZRJFAPSA-N 1 1 449.016 4.461 50 0 IIAAMO COCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1cccc(Cl)c1 ZINC000035843565 523237907 /nfs/dbraw/zinc/23/79/07/523237907.db2.gz QFHCNQKDDMRLDX-HSZRJFAPSA-N 1 1 449.016 4.461 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000012784427 523241367 /nfs/dbraw/zinc/24/13/67/523241367.db2.gz HKHSPHVOTUSEQE-QFIPXVFZSA-N 1 1 430.508 4.174 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)cc1OC ZINC000020539735 523941402 /nfs/dbraw/zinc/94/14/02/523941402.db2.gz JYJCTDYTVQJMOJ-DEOSSOPVSA-N 1 1 434.584 4.028 50 0 IIAAMO COc1ccc(CCN(C)[C@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)cc1OC ZINC000020539735 523941407 /nfs/dbraw/zinc/94/14/07/523941407.db2.gz JYJCTDYTVQJMOJ-DEOSSOPVSA-N 1 1 434.584 4.028 50 0 IIAAMO COc1ccc(CCN(C)[C@H]2CCC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)cc1OC ZINC000020539735 523941412 /nfs/dbraw/zinc/94/14/12/523941412.db2.gz JYJCTDYTVQJMOJ-DEOSSOPVSA-N 1 1 434.584 4.028 50 0 IIAAMO COc1ccc(CN(C)Cc2ccsc2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012703867 524007355 /nfs/dbraw/zinc/00/73/55/524007355.db2.gz YWMBIIZZZGLBMV-QHCPKHFHSA-N 1 1 440.609 4.260 50 0 IIAAMO COc1ccc(CN(C)Cc2ccsc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012703867 524007360 /nfs/dbraw/zinc/00/73/60/524007360.db2.gz YWMBIIZZZGLBMV-QHCPKHFHSA-N 1 1 440.609 4.260 50 0 IIAAMO COc1ccc(C[N@H+](Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)CC(C)C)cc1OC ZINC000035509816 524013193 /nfs/dbraw/zinc/01/31/93/524013193.db2.gz KAIFHNGFOTZSHC-UHFFFAOYSA-N 1 1 444.601 4.124 50 0 IIAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)CC(C)C)cc1 ZINC000036043002 524038857 /nfs/dbraw/zinc/03/88/57/524038857.db2.gz CUJYVRDUFVZBQG-DWXRJYCRSA-N 1 1 440.584 4.363 50 0 IIAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)CC(C)C)cc1 ZINC000036043002 524038863 /nfs/dbraw/zinc/03/88/63/524038863.db2.gz CUJYVRDUFVZBQG-DWXRJYCRSA-N 1 1 440.584 4.363 50 0 IIAAMO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000012756381 524062187 /nfs/dbraw/zinc/06/21/87/524062187.db2.gz HAZRGKGUKUNVCT-MRXNPFEDSA-N 1 1 439.581 4.198 50 0 IIAAMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1C ZINC000012706799 524259752 /nfs/dbraw/zinc/25/97/52/524259752.db2.gz GNQCZLLNMHOYMX-DEOSSOPVSA-N 1 1 434.628 4.348 50 0 IIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)cc1Cl ZINC000012469774 524484152 /nfs/dbraw/zinc/48/41/52/524484152.db2.gz SGNWCUTZCOMSND-OAHLLOKOSA-N 1 1 434.993 4.491 50 0 IIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)cc1Cl ZINC000012469774 524484154 /nfs/dbraw/zinc/48/41/54/524484154.db2.gz SGNWCUTZCOMSND-OAHLLOKOSA-N 1 1 434.993 4.491 50 0 IIAAMO C[C@H]1C[N@H+](CCC(=O)N[C@@H](c2ccccn2)C(F)(F)F)Cc2cc(Cl)ccc2O1 ZINC000012152534 524587293 /nfs/dbraw/zinc/58/72/93/524587293.db2.gz WTQODOYCKGEZHN-DJJJIMSYSA-N 1 1 427.854 4.128 50 0 IIAAMO C[C@H]1C[N@@H+](CCC(=O)N[C@@H](c2ccccn2)C(F)(F)F)Cc2cc(Cl)ccc2O1 ZINC000012152534 524587302 /nfs/dbraw/zinc/58/73/02/524587302.db2.gz WTQODOYCKGEZHN-DJJJIMSYSA-N 1 1 427.854 4.128 50 0 IIAAMO COc1ccccc1[C@@H]1C[N@H+](CCNC(=O)c2cc(C(C)C)on2)Cc2ccccc2O1 ZINC000012097971 524763033 /nfs/dbraw/zinc/76/30/33/524763033.db2.gz DCOLTAXVSPBQIU-DEOSSOPVSA-N 1 1 435.524 4.172 50 0 IIAAMO COc1ccccc1[C@@H]1C[N@@H+](CCNC(=O)c2cc(C(C)C)on2)Cc2ccccc2O1 ZINC000012097971 524763045 /nfs/dbraw/zinc/76/30/45/524763045.db2.gz DCOLTAXVSPBQIU-DEOSSOPVSA-N 1 1 435.524 4.172 50 0 IIAAMO C[C@@]1(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000012100069 525822628 /nfs/dbraw/zinc/82/26/28/525822628.db2.gz MGRZICVLTCCBFT-NRFANRHFSA-N 1 1 435.952 4.263 50 0 IIAAMO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454063 526047275 /nfs/dbraw/zinc/04/72/75/526047275.db2.gz PMMZAHXHLUYXPI-PMACEKPBSA-N 1 1 438.616 4.037 50 0 IIAAMO C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561946 526049249 /nfs/dbraw/zinc/04/92/49/526049249.db2.gz NOGCRJIJWCWAFU-IBGZPJMESA-N 1 1 438.616 4.037 50 0 IIAAMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022810951 526207585 /nfs/dbraw/zinc/20/75/85/526207585.db2.gz SKTKODIABOQZAQ-DENIHFKCSA-N 1 1 426.630 4.047 50 0 IIAAMO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)nc(C)n1 ZINC000012372793 526221435 /nfs/dbraw/zinc/22/14/35/526221435.db2.gz WWYQSQVJQKLGPU-IBGZPJMESA-N 1 1 434.506 4.139 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915381 526250970 /nfs/dbraw/zinc/25/09/70/526250970.db2.gz POGIVVYSBVDGDZ-SFHVURJKSA-N 1 1 434.584 4.128 50 0 IIAAMO Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3)n2)o1 ZINC000023335140 526315196 /nfs/dbraw/zinc/31/51/96/526315196.db2.gz CTWQHAPSWBMJAS-KRWDZBQOSA-N 1 1 448.571 4.102 50 0 IIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000012568475 526492172 /nfs/dbraw/zinc/49/21/72/526492172.db2.gz INRMHRCMTBZVGX-NRFANRHFSA-N 1 1 427.508 4.094 50 0 IIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000012568474 526581058 /nfs/dbraw/zinc/58/10/58/526581058.db2.gz INRMHRCMTBZVGX-OAQYLSRUSA-N 1 1 427.508 4.094 50 0 IIAAMO O=C(c1c[nH]c2ccccc21)[C@@H](O)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000015017686 526581538 /nfs/dbraw/zinc/58/15/38/526581538.db2.gz JYSZSQQCXBFFHG-NOZRDPDXSA-N 1 1 431.561 4.337 50 0 IIAAMO O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCCC[NH+]1CCOCC1 ZINC000021527952 526635137 /nfs/dbraw/zinc/63/51/37/526635137.db2.gz PLPTYXRWGGOYMU-UHFFFAOYSA-N 1 1 439.987 4.114 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(Br)c1 ZINC000012903461 526759393 /nfs/dbraw/zinc/75/93/93/526759393.db2.gz DWJCVNXDELUZMT-SFHVURJKSA-N 1 1 431.330 4.386 50 0 IIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(Br)c1 ZINC000012903461 526759398 /nfs/dbraw/zinc/75/93/98/526759398.db2.gz DWJCVNXDELUZMT-SFHVURJKSA-N 1 1 431.330 4.386 50 0 IIAAMO Cn1nc(C(=O)NCC[N@@H+](Cc2ccco2)C2CCCC2)c2c1-c1ccccc1SC2 ZINC000020485290 527544432 /nfs/dbraw/zinc/54/44/32/527544432.db2.gz DSSZCUJRTVXNJR-UHFFFAOYSA-N 1 1 436.581 4.460 50 0 IIAAMO Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccccc1)C1CCN(C(=O)CCc2ccco2)CC1 ZINC000015000098 527691809 /nfs/dbraw/zinc/69/18/09/527691809.db2.gz IHXJHHVUJAXLQA-SANMLTNESA-N 1 1 448.611 4.236 50 0 IIAAMO CC[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000000795694 555558019 /nfs/dbraw/zinc/55/80/19/555558019.db2.gz ORBDZCANZRSPPF-UHFFFAOYSA-N 1 1 427.548 4.235 50 0 IIAAMO CC[N@@H+]1CCc2c(c(CN(CC(C)C)C(=O)NC(C)(C)C)nn2-c2ccccc2OC)C1 ZINC000034762457 555904328 /nfs/dbraw/zinc/90/43/28/555904328.db2.gz IWNVUAZHKLOPBR-UHFFFAOYSA-N 1 1 441.620 4.225 50 0 IIAAMO CC[N@H+]1CCc2c(c(CN(CC(C)C)C(=O)NC(C)(C)C)nn2-c2ccccc2OC)C1 ZINC000034762457 555904330 /nfs/dbraw/zinc/90/43/30/555904330.db2.gz IWNVUAZHKLOPBR-UHFFFAOYSA-N 1 1 441.620 4.225 50 0 IIAAMO CC[N@@H+]1CCc2c(c(CN(CC3CC3)C(=O)Cc3ccccc3)nn2-c2ccccc2)C1 ZINC000034762214 555904444 /nfs/dbraw/zinc/90/44/44/555904444.db2.gz MXRYAXQXQHJPNN-UHFFFAOYSA-N 1 1 428.580 4.232 50 0 IIAAMO CC[N@H+]1CCc2c(c(CN(CC3CC3)C(=O)Cc3ccccc3)nn2-c2ccccc2)C1 ZINC000034762214 555904448 /nfs/dbraw/zinc/90/44/48/555904448.db2.gz MXRYAXQXQHJPNN-UHFFFAOYSA-N 1 1 428.580 4.232 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855501 555923993 /nfs/dbraw/zinc/92/39/93/555923993.db2.gz LKHZBDSEOZENKB-GAJHUEQPSA-N 1 1 425.573 4.289 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855501 555923994 /nfs/dbraw/zinc/92/39/94/555923994.db2.gz LKHZBDSEOZENKB-GAJHUEQPSA-N 1 1 425.573 4.289 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)(C)C)[N@H+](Cc1ccccc1C)CC2 ZINC000034855671 555924335 /nfs/dbraw/zinc/92/43/35/555924335.db2.gz SIEKSUJOABXSER-NRFANRHFSA-N 1 1 425.573 4.209 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)(C)C)[N@@H+](Cc1ccccc1C)CC2 ZINC000034855671 555924336 /nfs/dbraw/zinc/92/43/36/555924336.db2.gz SIEKSUJOABXSER-NRFANRHFSA-N 1 1 425.573 4.209 50 0 IIAAMO CCn1nc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1-c1ccc(OC)cc1OC ZINC000034901317 555929364 /nfs/dbraw/zinc/92/93/64/555929364.db2.gz ZLWPFXPUQCEEBD-LJQANCHMSA-N 1 1 448.567 4.106 50 0 IIAAMO Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=[NH+][C@@H]2c1ccc(Cl)cc1 ZINC000009287504 556272051 /nfs/dbraw/zinc/27/20/51/556272051.db2.gz WJNDNZPJWDFUBL-QHCPKHFHSA-N 1 1 447.970 4.488 50 0 IIAAMO COc1cccc(CN(CCC[NH+]2CCOCC2)C(=O)Nc2ccc(Cl)cc2)c1OC ZINC000013690084 556279312 /nfs/dbraw/zinc/27/93/12/556279312.db2.gz FAVPERJQPJVURI-UHFFFAOYSA-N 1 1 447.963 4.114 50 0 IIAAMO COc1ccc(OC)c(CN(CCC[NH+]2CCOCC2)C(=O)Nc2cccc(Cl)c2)c1 ZINC000013691899 556281469 /nfs/dbraw/zinc/28/14/69/556281469.db2.gz YFSLHJSQAHVEKR-UHFFFAOYSA-N 1 1 447.963 4.114 50 0 IIAAMO CN(C(=O)CC[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)C1CC[NH+](C)CC1 ZINC000011717151 556348437 /nfs/dbraw/zinc/34/84/37/556348437.db2.gz WVIIMWNPIKIHCX-HXUWFJFHSA-N 1 1 440.657 4.355 50 0 IIAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000011873629 556369781 /nfs/dbraw/zinc/36/97/81/556369781.db2.gz QBBIXMHAVMXFJV-RUZDIDTESA-N 1 1 427.541 4.100 50 0 IIAAMO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([N@H+]3CCC[C@H](CO)C3)CC2)c1 ZINC000011972218 556382515 /nfs/dbraw/zinc/38/25/15/556382515.db2.gz UJEIEZLPMOFABI-QHCPKHFHSA-N 1 1 435.612 4.321 50 0 IIAAMO Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1NC(=O)c1ccccc1 ZINC000032827401 556411489 /nfs/dbraw/zinc/41/14/89/556411489.db2.gz KGYMHIGPFJIIFU-FQEVSTJZSA-N 1 1 427.548 4.424 50 0 IIAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000012994470 556429974 /nfs/dbraw/zinc/42/99/74/556429974.db2.gz AOGWFDLSBCFYFY-UHFFFAOYSA-N 1 1 427.346 4.322 50 0 IIAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000012994470 556429976 /nfs/dbraw/zinc/42/99/76/556429976.db2.gz AOGWFDLSBCFYFY-UHFFFAOYSA-N 1 1 427.346 4.322 50 0 IIAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000013058819 556449868 /nfs/dbraw/zinc/44/98/68/556449868.db2.gz XZIUBQUIEWAPEO-UHFFFAOYSA-N 1 1 433.508 4.027 50 0 IIAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000013058819 556449872 /nfs/dbraw/zinc/44/98/72/556449872.db2.gz XZIUBQUIEWAPEO-UHFFFAOYSA-N 1 1 433.508 4.027 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccn2-c2ncccn2)C1)NCc1ccccc1Cl ZINC000014954685 556462014 /nfs/dbraw/zinc/46/20/14/556462014.db2.gz IJCLZTCTVKBOCS-IBGZPJMESA-N 1 1 437.975 4.229 50 0 IIAAMO COc1cccc(-n2cc(C[N@@H+](C)[C@H]3CCC(=O)N(Cc4ccccc4F)CC3)cn2)c1 ZINC000014984172 556472080 /nfs/dbraw/zinc/47/20/80/556472080.db2.gz RYKSTHSMGNFSGS-NRFANRHFSA-N 1 1 436.531 4.033 50 0 IIAAMO CCCO[C@@H]1CCC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)C1 ZINC000015072134 556496697 /nfs/dbraw/zinc/49/66/97/556496697.db2.gz SECAFYFUNMBPDZ-HXUWFJFHSA-N 1 1 440.613 4.102 50 0 IIAAMO CCCO[C@@H]1CCC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)C1 ZINC000015072134 556496700 /nfs/dbraw/zinc/49/67/00/556496700.db2.gz SECAFYFUNMBPDZ-HXUWFJFHSA-N 1 1 440.613 4.102 50 0 IIAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000072308062 556563719 /nfs/dbraw/zinc/56/37/19/556563719.db2.gz PANSDTRIEDAPSB-XMMPIXPASA-N 1 1 438.568 4.431 50 0 IIAAMO C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016044522 556579024 /nfs/dbraw/zinc/57/90/24/556579024.db2.gz FCZVIXVQAWWCEB-QFIPXVFZSA-N 1 1 442.559 4.095 50 0 IIAAMO COc1ccccc1Oc1nc(N2CCC(C)CC2)nc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000034755611 556581922 /nfs/dbraw/zinc/58/19/22/556581922.db2.gz JVQLJFXOBVYCKM-UHFFFAOYSA-N 1 1 445.567 4.467 50 0 IIAAMO COc1ccccc1Oc1nc(N2CCC(C)CC2)nc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000034755611 556581926 /nfs/dbraw/zinc/58/19/26/556581926.db2.gz JVQLJFXOBVYCKM-UHFFFAOYSA-N 1 1 445.567 4.467 50 0 IIAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC000016340813 556600993 /nfs/dbraw/zinc/60/09/93/556600993.db2.gz FPIMBJQEOBHCSC-UHFFFAOYSA-N 1 1 435.955 4.458 50 0 IIAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC000016340813 556600994 /nfs/dbraw/zinc/60/09/94/556600994.db2.gz FPIMBJQEOBHCSC-UHFFFAOYSA-N 1 1 435.955 4.458 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984071 556603221 /nfs/dbraw/zinc/60/32/21/556603221.db2.gz UPPDGSAXSCZMIE-OHQZHEALSA-N 1 1 433.552 4.443 50 0 IIAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000016623475 556618287 /nfs/dbraw/zinc/61/82/87/556618287.db2.gz QVZHDUCBHYWWTA-UHFFFAOYSA-N 1 1 435.475 4.079 50 0 IIAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000016623475 556618290 /nfs/dbraw/zinc/61/82/90/556618290.db2.gz QVZHDUCBHYWWTA-UHFFFAOYSA-N 1 1 435.475 4.079 50 0 IIAAMO O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000011740495 556649543 /nfs/dbraw/zinc/64/95/43/556649543.db2.gz RCTKHZDFFOFXFK-UHFFFAOYSA-N 1 1 437.547 4.282 50 0 IIAAMO Cc1nc2ccccc2n(Cc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2)c1=O ZINC000033005911 556655269 /nfs/dbraw/zinc/65/52/69/556655269.db2.gz DWXUNSGXKADDRK-UHFFFAOYSA-N 1 1 446.595 4.138 50 0 IIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H]4c5ccccc5C=C[N@H+]4[C@@H](C(=O)C(C)(C)C)[C@H]3C2=O)c(C)c1 ZINC000043726430 556664694 /nfs/dbraw/zinc/66/46/94/556664694.db2.gz NOGABQKHFOYBGO-WZYRSQIMSA-N 1 1 428.532 4.434 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000248238790 556676876 /nfs/dbraw/zinc/67/68/76/556676876.db2.gz NOQABQGBSTZXBC-YSZBQJHXSA-N 1 1 439.625 4.285 50 0 IIAAMO COc1ccc(OC)c(-c2nc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c(C)o2)c1 ZINC000019225261 556716516 /nfs/dbraw/zinc/71/65/16/556716516.db2.gz HVYINMWTDAZWBD-JXMROGBWSA-N 1 1 433.552 4.498 50 0 IIAAMO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2c(C)nc3sccn23)CC1 ZINC000055108747 556734902 /nfs/dbraw/zinc/73/49/02/556734902.db2.gz KXFSMHZWXFVHNK-UHFFFAOYSA-N 1 1 427.570 4.101 50 0 IIAAMO O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055198237 556737196 /nfs/dbraw/zinc/73/71/96/556737196.db2.gz AEGAWARRMNYHHO-LJQANCHMSA-N 1 1 435.465 4.271 50 0 IIAAMO Cc1cccc(-n2cc(C[N@H+]3CCCN(c4ncccn4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000055359599 556740446 /nfs/dbraw/zinc/74/04/46/556740446.db2.gz YSJDUXOVQNYLGS-UHFFFAOYSA-N 1 1 442.542 4.489 50 0 IIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nnc(-c2cccc(Br)c2)o1 ZINC000058158481 556763270 /nfs/dbraw/zinc/76/32/70/556763270.db2.gz JLUXUVAUKJDZLP-AWEZNQCLSA-N 1 1 439.317 4.273 50 0 IIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nnc(-c2cccc(Br)c2)o1 ZINC000058158481 556763271 /nfs/dbraw/zinc/76/32/71/556763271.db2.gz JLUXUVAUKJDZLP-AWEZNQCLSA-N 1 1 439.317 4.273 50 0 IIAAMO Cc1ccc(Cl)cc1NC(=O)N1CC[NH+](CCn2c3ncccc3nc2C(C)C)CC1 ZINC000033139846 556874929 /nfs/dbraw/zinc/87/49/29/556874929.db2.gz HNVKZULCHHMEHK-UHFFFAOYSA-N 1 1 440.979 4.366 50 0 IIAAMO CCOCc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)ccc1OC ZINC000019733172 556876906 /nfs/dbraw/zinc/87/69/06/556876906.db2.gz CHSZDBVHLCYGMB-HSZRJFAPSA-N 1 1 441.591 4.157 50 0 IIAAMO CCOC(=O)C1CCN(c2c(C(=O)c3ccc(OC)cc3)c[nH+]c3ccc(OC)cc32)CC1 ZINC000036370356 556902039 /nfs/dbraw/zinc/90/20/39/556902039.db2.gz LPZNWTCMRNYTIN-UHFFFAOYSA-N 1 1 448.519 4.263 50 0 IIAAMO CCOc1ccc(CC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000019890316 556939236 /nfs/dbraw/zinc/93/92/36/556939236.db2.gz LHIUMOKCNDQAFZ-JOCHJYFZSA-N 1 1 444.934 4.464 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000019890163 556939334 /nfs/dbraw/zinc/93/93/34/556939334.db2.gz BCPYIWXLHODRTD-DEOSSOPVSA-N 1 1 436.552 4.071 50 0 IIAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](C4CSCCSC4)C3)CC2)c1 ZINC000020209773 556998640 /nfs/dbraw/zinc/99/86/40/556998640.db2.gz NDCZHWGCUDNLQN-IBGZPJMESA-N 1 1 445.620 4.140 50 0 IIAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C[C@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000048261723 557049552 /nfs/dbraw/zinc/04/95/52/557049552.db2.gz CRAYEUBMDCDOHD-SZPZYZBQSA-N 1 1 426.561 4.247 50 0 IIAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938416 557053360 /nfs/dbraw/zinc/05/33/60/557053360.db2.gz UCQZXMYIOYLLIQ-LJQANCHMSA-N 1 1 429.948 4.323 50 0 IIAAMO Cc1csc(-c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)s2)n1 ZINC000033289965 557071767 /nfs/dbraw/zinc/07/17/67/557071767.db2.gz QMMURBAUVKSOMM-UHFFFAOYSA-N 1 1 425.645 4.127 50 0 IIAAMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)CC1 ZINC000023478091 557093953 /nfs/dbraw/zinc/09/39/53/557093953.db2.gz GEMFAWUXUVGGTE-TXSTWEBBSA-N 1 1 428.580 4.057 50 0 in-vitro IIAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1)NCc1ccc(F)c(F)c1 ZINC000023478426 557094036 /nfs/dbraw/zinc/09/40/36/557094036.db2.gz SFMFZSUOQMYHCI-OAHLLOKOSA-N 1 1 430.524 4.278 50 0 IIAAMO C[N@H+](CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CCCc2ccccc21 ZINC000023611315 557101161 /nfs/dbraw/zinc/10/11/61/557101161.db2.gz KYAXZCCLPRMJMY-DEOSSOPVSA-N 1 1 425.532 4.449 50 0 IIAAMO C[N@@H+](CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CCCc2ccccc21 ZINC000023611315 557101165 /nfs/dbraw/zinc/10/11/65/557101165.db2.gz KYAXZCCLPRMJMY-DEOSSOPVSA-N 1 1 425.532 4.449 50 0 IIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCSCC1 ZINC000409415149 557110046 /nfs/dbraw/zinc/11/00/46/557110046.db2.gz VFJXFPQMINXEFS-XZOQPEGZSA-N 1 1 447.689 4.230 50 0 biogenic IIAAMO Cc1c2cc(Br)ccc2oc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023736124 557112166 /nfs/dbraw/zinc/11/21/66/557112166.db2.gz KIWYQUQQFVLDPX-UHFFFAOYSA-N 1 1 435.362 4.269 50 0 IIAAMO CC[N@@H+]1CCc2c(sc(NC(=O)C3=COCCO3)c2-c2nc3ccccc3s2)C1 ZINC000023230146 557119332 /nfs/dbraw/zinc/11/93/32/557119332.db2.gz NOMKIDCHLASLLQ-UHFFFAOYSA-N 1 1 427.551 4.230 50 0 IIAAMO CC[N@H+]1CCc2c(sc(NC(=O)C3=COCCO3)c2-c2nc3ccccc3s2)C1 ZINC000023230146 557119333 /nfs/dbraw/zinc/11/93/33/557119333.db2.gz NOMKIDCHLASLLQ-UHFFFAOYSA-N 1 1 427.551 4.230 50 0 IIAAMO O[C@@H](COc1ccc(F)cc1Cl)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025336224 557204943 /nfs/dbraw/zinc/20/49/43/557204943.db2.gz ILBOPHLDZBAFTI-QGZVFWFLSA-N 1 1 432.845 4.060 50 0 IIAAMO CC(C)NC(=O)C[N@H+]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000026706121 557247111 /nfs/dbraw/zinc/24/71/11/557247111.db2.gz ZHVQKFWBIWRRNG-UHFFFAOYSA-N 1 1 444.004 4.048 50 0 IIAAMO COc1cc(C[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)ccc1OC(F)F ZINC000027548585 557265225 /nfs/dbraw/zinc/26/52/25/557265225.db2.gz ZNRZZCPAFQGIIX-UHFFFAOYSA-N 1 1 434.527 4.346 50 0 IIAAMO COc1cc(C[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)ccc1OC(F)F ZINC000027548585 557265226 /nfs/dbraw/zinc/26/52/26/557265226.db2.gz ZNRZZCPAFQGIIX-UHFFFAOYSA-N 1 1 434.527 4.346 50 0 IIAAMO CSc1ccc([C@@H]2[NH+]=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1 ZINC000100134431 557331711 /nfs/dbraw/zinc/33/17/11/557331711.db2.gz GRLKKEXKQJVWGU-LJQANCHMSA-N 1 1 425.945 4.045 50 0 IIAAMO COCCn1ccc2c1cccc2C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199208 557395433 /nfs/dbraw/zinc/39/54/33/557395433.db2.gz WPYRGFYFQPALLS-OFPDSVIMSA-N 1 1 433.596 4.323 50 0 biogenic IIAAMO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCS[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000408516883 557411889 /nfs/dbraw/zinc/41/18/89/557411889.db2.gz QBEBMDGJNKEOEX-MOPGFXCFSA-N 1 1 433.585 4.335 50 0 IIAAMO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCS[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000408516883 557411894 /nfs/dbraw/zinc/41/18/94/557411894.db2.gz QBEBMDGJNKEOEX-MOPGFXCFSA-N 1 1 433.585 4.335 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105019205 557473112 /nfs/dbraw/zinc/47/31/12/557473112.db2.gz WHFMJHOYAPUAAH-ILBGXUMGSA-N 1 1 426.576 4.481 50 0 IIAAMO CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@](C)(O)c2ccco2)cc1)C[C@H]1CCCCO1 ZINC000108162963 557541783 /nfs/dbraw/zinc/54/17/83/557541783.db2.gz FLAHRBOCEODRJK-QPPBQGQZSA-N 1 1 429.561 4.088 50 0 IIAAMO C[N@H+]1CCN(Cc2c(Br)cncc2Br)[C@H](c2ccccc2)C1 ZINC000225418044 557720810 /nfs/dbraw/zinc/72/08/10/557720810.db2.gz BJTLYXPAVSPBDR-KRWDZBQOSA-N 1 1 425.168 4.095 50 0 IIAAMO CCCC[N@@H+](CC)CCCNC(=O)Nc1sc2nc3n(c(=O)c2c1C)CC[C@H](C)CC3 ZINC000008605189 562956632 /nfs/dbraw/zinc/95/66/32/562956632.db2.gz IWLYMSSTSHQCAK-MRXNPFEDSA-N 1 1 447.649 4.372 50 0 IIAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 ZINC000009440419 562971183 /nfs/dbraw/zinc/97/11/83/562971183.db2.gz KQAFMCZKNKXFKS-VWNXMTODSA-N 1 1 449.595 4.217 50 0 IIAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COC(C)C)C2)cc1 ZINC000104985098 568623364 /nfs/dbraw/zinc/62/33/64/568623364.db2.gz UIFVZWRJBBORRM-JTHBVZDNSA-N 1 1 446.975 4.130 50 0 IIAAMO CCN(Cc1ccc(OC)c(F)c1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000015310087 568755058 /nfs/dbraw/zinc/75/50/58/568755058.db2.gz GKMWWBYOMMXHFP-NRFANRHFSA-N 1 1 442.531 4.181 50 0 IIAAMO CCN(Cc1ccc(OC)c(F)c1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000015310087 568755060 /nfs/dbraw/zinc/75/50/60/568755060.db2.gz GKMWWBYOMMXHFP-NRFANRHFSA-N 1 1 442.531 4.181 50 0 IIAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012936631 568866019 /nfs/dbraw/zinc/86/60/19/568866019.db2.gz ACVGVOMRQPMORK-AWEZNQCLSA-N 1 1 426.870 4.293 50 0 IIAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012936631 568866021 /nfs/dbraw/zinc/86/60/21/568866021.db2.gz ACVGVOMRQPMORK-AWEZNQCLSA-N 1 1 426.870 4.293 50 0 IIAAMO COc1cccc(CN(C)C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1OC ZINC000013019050 568902134 /nfs/dbraw/zinc/90/21/34/568902134.db2.gz HIYRHMLSPYSPFQ-UHFFFAOYSA-N 1 1 439.581 4.152 50 0 IIAAMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000026924833 568926593 /nfs/dbraw/zinc/92/65/93/568926593.db2.gz HXVICJNPPMHTAJ-CYBMUJFWSA-N 1 1 429.369 4.419 50 0 IIAAMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000026924833 568926594 /nfs/dbraw/zinc/92/65/94/568926594.db2.gz HXVICJNPPMHTAJ-CYBMUJFWSA-N 1 1 429.369 4.419 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095992 568951630 /nfs/dbraw/zinc/95/16/30/568951630.db2.gz RATOQEKEFVVXLQ-XMMPIXPASA-N 1 1 439.527 4.423 50 0 IIAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146110 568962038 /nfs/dbraw/zinc/96/20/38/568962038.db2.gz YPXJQBYYVQCWND-VXKWHMMOSA-N 1 1 432.511 4.136 50 0 IIAAMO Cc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COC(C)C)C2)cc1 ZINC000036146052 568962249 /nfs/dbraw/zinc/96/22/49/568962249.db2.gz QVHFCVVXVMGGMB-GOTSBHOMSA-N 1 1 430.976 4.430 50 0 IIAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@@H](O)COCc3ccccc3)n2)cc1 ZINC000036147347 568962336 /nfs/dbraw/zinc/96/23/36/568962336.db2.gz ZSKQJIBOANPEKT-HSZRJFAPSA-N 1 1 447.535 4.260 50 0 IIAAMO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000064820206 568967009 /nfs/dbraw/zinc/96/70/09/568967009.db2.gz OXFJWSXUQGJENV-LBPRGKRZSA-N 1 1 426.380 4.468 50 0 IIAAMO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677120 568989428 /nfs/dbraw/zinc/98/94/28/568989428.db2.gz NOLLZUXNQXRROR-RSXGOPAZSA-N 1 1 429.539 4.005 50 0 IIAAMO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2cccc(F)c2)C[C@@H](O)COCC(C)C)C1 ZINC000169677851 568989682 /nfs/dbraw/zinc/98/96/82/568989682.db2.gz YGLISNIMUCHBAN-PKTZIBPZSA-N 1 1 428.548 4.163 50 0 IIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000169679549 568991048 /nfs/dbraw/zinc/99/10/48/568991048.db2.gz SGFUTCSASPHGSN-UZUQRXQVSA-N 1 1 439.531 4.395 50 0 IIAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302443 568994221 /nfs/dbraw/zinc/99/42/21/568994221.db2.gz WDVBEMWGLFVRDD-OAQYLSRUSA-N 1 1 439.556 4.201 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302443 568994222 /nfs/dbraw/zinc/99/42/22/568994222.db2.gz WDVBEMWGLFVRDD-OAQYLSRUSA-N 1 1 439.556 4.201 50 0 IIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036342699 569079507 /nfs/dbraw/zinc/07/95/07/569079507.db2.gz ZNFLHBQVJBRFMI-RUZDIDTESA-N 1 1 447.579 4.128 50 0 IIAAMO CC(=O)N1CCc2cc(-c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)ccc21 ZINC000065026966 569090134 /nfs/dbraw/zinc/09/01/34/569090134.db2.gz KDQAWPHXHYPPOA-UHFFFAOYSA-N 1 1 439.559 4.221 50 0 IIAAMO COCc1cc(C)nc2sc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@H+](C)CC[C@@H]43)c(N)c21 ZINC000036556785 569117627 /nfs/dbraw/zinc/11/76/27/569117627.db2.gz APVAMQAVSFCOAD-HKUYNNGSSA-N 1 1 436.581 4.090 50 0 IIAAMO CCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c(Cl)cc12 ZINC000036579835 569119553 /nfs/dbraw/zinc/11/95/53/569119553.db2.gz SQCAWOQEOFOTCX-YLJYHZDGSA-N 1 1 446.975 4.158 50 0 IIAAMO COc1ccccc1NC(=O)C[NH+]1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000036708933 569136136 /nfs/dbraw/zinc/13/61/36/569136136.db2.gz LYJWCZHZPYPGJW-UHFFFAOYSA-N 1 1 446.473 4.414 50 0 IIAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3nc(-c4ccco4)cs3)CC2)c(C)c1 ZINC000036709247 569136200 /nfs/dbraw/zinc/13/62/00/569136200.db2.gz AOFJQPQQXJQFFI-UHFFFAOYSA-N 1 1 438.553 4.309 50 0 IIAAMO C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606029 569143902 /nfs/dbraw/zinc/14/39/02/569143902.db2.gz UQQWFCSWCNVVSX-LIRRHRJNSA-N 1 1 427.346 4.319 50 0 IIAAMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)cc1F ZINC000170618552 569147127 /nfs/dbraw/zinc/14/71/27/569147127.db2.gz XTQPCMLYFMHUPG-UHFFFAOYSA-N 1 1 431.386 4.365 50 0 IIAAMO COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016891252 569165763 /nfs/dbraw/zinc/16/57/63/569165763.db2.gz XUSVATLRTSCCDN-YADARESESA-N 1 1 435.593 4.439 50 0 IIAAMO C[C@H](NC(=O)C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000089905131 569167161 /nfs/dbraw/zinc/16/71/61/569167161.db2.gz FFKXJTWHUHCRMV-NRFANRHFSA-N 1 1 443.591 4.230 50 0 IIAAMO C[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc3c(c2)OCO3)Cc2cc(=O)n3ccsc3n2)[C@H]1C ZINC000252453070 569184147 /nfs/dbraw/zinc/18/41/47/569184147.db2.gz ZOWQVRUMGDZNHN-JTDSTZFVSA-N 1 1 425.554 4.312 50 0 IIAAMO CCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252510586 569188639 /nfs/dbraw/zinc/18/86/39/569188639.db2.gz ALGDMLUEZYZRDO-FUDKSRODSA-N 1 1 436.600 4.429 50 0 IIAAMO CCN1CC[NH+](CCCNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)CC1 ZINC000019362099 569319081 /nfs/dbraw/zinc/31/90/81/569319081.db2.gz BDLUDGCOXIIVBH-UHFFFAOYSA-N 1 1 430.596 4.276 50 0 IIAAMO COc1ccc(-c2noc(C[N@@H+]3CC[C@H](c4cccc(Cl)c4)C3)n2)c(OC)c1OC ZINC000020211476 569356176 /nfs/dbraw/zinc/35/61/76/569356176.db2.gz KIEOIZURXIRDIT-HNNXBMFYSA-N 1 1 429.904 4.405 50 0 IIAAMO COc1ccc(-c2noc(C[N@H+]3CC[C@H](c4cccc(Cl)c4)C3)n2)c(OC)c1OC ZINC000020211476 569356178 /nfs/dbraw/zinc/35/61/78/569356178.db2.gz KIEOIZURXIRDIT-HNNXBMFYSA-N 1 1 429.904 4.405 50 0 IIAAMO CC[N@@H+](CCC1CCN(C(=O)c2ccc(OCc3nccn3C)cc2)CC1)CC(C)C ZINC000095459634 569369500 /nfs/dbraw/zinc/36/95/00/569369500.db2.gz LUQPOMLZPCNXHM-UHFFFAOYSA-N 1 1 426.605 4.219 50 0 IIAAMO O=C(C[NH+]1CCC(c2nnc(-c3ccsc3)o2)CC1)Nc1ccc(Br)cc1 ZINC000096024386 569380570 /nfs/dbraw/zinc/38/05/70/569380570.db2.gz YMNZDFCWMQHPBT-UHFFFAOYSA-N 1 1 447.358 4.379 50 0 IIAAMO Cc1cccc(N2CC[NH+](CCCOc3cc(O)c4c(c3)OC(C)(C)CC4=O)CC2)c1C ZINC000096028225 569380944 /nfs/dbraw/zinc/38/09/44/569380944.db2.gz GYOVPNAXLWXTBN-UHFFFAOYSA-N 1 1 438.568 4.344 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 ZINC000670417845 569409886 /nfs/dbraw/zinc/40/98/86/569409886.db2.gz SGACHQKCZOYJAM-QYYDGCESSA-N 1 1 441.660 4.311 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000230076538 569433358 /nfs/dbraw/zinc/43/33/58/569433358.db2.gz NOQABQGBSTZXBC-LEOXJPRUSA-N 1 1 439.625 4.285 50 0 IIAAMO Cc1nnc(Sc2cc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c3ccccc3n2)s1 ZINC000003027410 569436316 /nfs/dbraw/zinc/43/63/16/569436316.db2.gz AESMJEJIUUHVAK-HNNXBMFYSA-N 1 1 441.626 4.398 50 0 IIAAMO CCCC[N@@H+](C)CCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000003056897 569439389 /nfs/dbraw/zinc/43/93/89/569439389.db2.gz QYDCSOJVFXTMGW-UHFFFAOYSA-N 1 1 436.556 4.457 50 0 IIAAMO COc1ccc(-c2nc3ccccc3c(=O)n2-c2ncccc2[C@H]2CCC[N@H+]2C)cc1OC ZINC000008740419 569472905 /nfs/dbraw/zinc/47/29/05/569472905.db2.gz WHPKFXMKIMXLIL-OAQYLSRUSA-N 1 1 442.519 4.232 50 0 biogenic IIAAMO Cc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)cc2)cc1 ZINC000008771714 569475202 /nfs/dbraw/zinc/47/52/02/569475202.db2.gz UWELTPVAOMQDDO-NRFANRHFSA-N 1 1 433.533 4.118 50 0 IIAAMO Cc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)cc2)cc1 ZINC000008771714 569475203 /nfs/dbraw/zinc/47/52/03/569475203.db2.gz UWELTPVAOMQDDO-NRFANRHFSA-N 1 1 433.533 4.118 50 0 IIAAMO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000040072084 569485863 /nfs/dbraw/zinc/48/58/63/569485863.db2.gz QZBOFLLIJCOMPG-UHFFFAOYSA-N 1 1 427.545 4.436 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000009042180 569497695 /nfs/dbraw/zinc/49/76/95/569497695.db2.gz VPBLXOLTDCARML-YLNUKYHNSA-N 1 1 439.943 4.236 50 0 IIAAMO CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC(C)C ZINC000245281337 569502154 /nfs/dbraw/zinc/50/21/54/569502154.db2.gz XIYRZRKEMXNQIO-NFBKMPQASA-N 1 1 444.641 4.290 50 0 IIAAMO CSc1nc2c3c4c(c(-c5ccco5)nc3sc2c(N2CC[NH+](C)CC2)n1)CCC4 ZINC000009233599 569513828 /nfs/dbraw/zinc/51/38/28/569513828.db2.gz GCMZMOGZDLJDPC-UHFFFAOYSA-N 1 1 437.594 4.462 50 0 IIAAMO Cc1nc2ccccc2nc1C[NH+](Cc1nc2ccccc2nc1C)[C@H](C)Cn1cccn1 ZINC000069776677 569517683 /nfs/dbraw/zinc/51/76/83/569517683.db2.gz ALLJRBRZDAOJTG-GOSISDBHSA-N 1 1 437.551 4.477 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009432989 569534532 /nfs/dbraw/zinc/53/45/32/569534532.db2.gz NOQABQGBSTZXBC-SXSPYAJSSA-N 1 1 439.625 4.285 50 0 IIAAMO COc1cccc(NC(=O)[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000009516227 569543430 /nfs/dbraw/zinc/54/34/30/569543430.db2.gz NZVDTZFSQUXJSL-RUZDIDTESA-N 1 1 429.520 4.292 50 0 IIAAMO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c(C)c12 ZINC000009610218 569552491 /nfs/dbraw/zinc/55/24/91/569552491.db2.gz BVGQAAWDAMJAAD-QFIPXVFZSA-N 1 1 447.627 4.372 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000009642271 569555789 /nfs/dbraw/zinc/55/57/89/569555789.db2.gz JDVCOMIYENNAKW-UHFFFAOYSA-N 1 1 449.595 4.319 50 0 IIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000009680630 569560162 /nfs/dbraw/zinc/56/01/62/569560162.db2.gz YWXYHMPUTHWOQI-KRWDZBQOSA-N 1 1 434.540 4.210 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)C1 ZINC000009847954 569571182 /nfs/dbraw/zinc/57/11/82/569571182.db2.gz ZNXMOTOWJZTJGQ-HDICACEKSA-N 1 1 437.613 4.348 50 0 IIAAMO CCC[C@@H](NC(=O)Nc1ccc(SC)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035687913 569587768 /nfs/dbraw/zinc/58/77/68/569587768.db2.gz PMGDOGDEHSQRBB-JOCHJYFZSA-N 1 1 440.613 4.043 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009672037 132325197 /nfs/dbraw/zinc/32/51/97/132325197.db2.gz SLOLWRGQNIOMKW-GOSISDBHSA-N 1 1 439.503 4.379 50 0 IIAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009672037 132325199 /nfs/dbraw/zinc/32/51/99/132325199.db2.gz SLOLWRGQNIOMKW-GOSISDBHSA-N 1 1 439.503 4.379 50 0 IIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000010311064 132335501 /nfs/dbraw/zinc/33/55/01/132335501.db2.gz MTDZLNJZSPUQQS-FQEVSTJZSA-N 1 1 433.474 4.318 50 0 IIAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000012440790 518420981 /nfs/dbraw/zinc/42/09/81/518420981.db2.gz GGGFUHBWIJFDNS-VWLOTQADSA-N 1 1 447.623 4.226 50 0 IIAAMO CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000022573184 518629946 /nfs/dbraw/zinc/62/99/46/518629946.db2.gz KBEZBYISISKDRO-JOCHJYFZSA-N 1 1 425.617 4.357 50 0 IIAAMO CCCC[N@@H+](CC)CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915172 520475419 /nfs/dbraw/zinc/47/54/19/520475419.db2.gz AFHHOCLLYRIJEJ-UHFFFAOYSA-N 1 1 436.600 4.375 50 0 IIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(C)c3OC)oc2C)C1 ZINC000012587387 520541206 /nfs/dbraw/zinc/54/12/06/520541206.db2.gz SDSURDCXCJAGMA-SFHVURJKSA-N 1 1 429.561 4.056 50 0 IIAAMO CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)c(OC)cc1Br)[NH2+]CC2 ZINC000020478023 520800053 /nfs/dbraw/zinc/80/00/53/520800053.db2.gz QZOWSGFQNCCZEG-OAQYLSRUSA-N 1 1 436.346 4.499 50 0 IIAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2)C(C)C ZINC000012191725 521176081 /nfs/dbraw/zinc/17/60/81/521176081.db2.gz KGTKFPUYCPUGDT-AREMUKBSSA-N 1 1 443.595 4.131 50 0 IIAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1cccc(Oc3ccccc3)c1)CC2)C(C)C ZINC000012183999 521188095 /nfs/dbraw/zinc/18/80/95/521188095.db2.gz CEIUOCYOFCNLKQ-VWLOTQADSA-N 1 1 447.583 4.352 50 0 IIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(C(=O)OC)cc1 ZINC000012092451 521264652 /nfs/dbraw/zinc/26/46/52/521264652.db2.gz KJBRRHNBDKRETL-FQEVSTJZSA-N 1 1 426.532 4.029 50 0 IIAAMO CCCCc1ncc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)[nH]1 ZINC000012316757 521294643 /nfs/dbraw/zinc/29/46/43/521294643.db2.gz OJTWEPVTVVWIKP-IBGZPJMESA-N 1 1 442.604 4.078 50 0 IIAAMO CCCCc1nc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c[nH]1 ZINC000012316757 521294655 /nfs/dbraw/zinc/29/46/55/521294655.db2.gz OJTWEPVTVVWIKP-IBGZPJMESA-N 1 1 442.604 4.078 50 0 IIAAMO CCCCc1nc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c[nH]1 ZINC000012316757 521294662 /nfs/dbraw/zinc/29/46/62/521294662.db2.gz OJTWEPVTVVWIKP-IBGZPJMESA-N 1 1 442.604 4.078 50 0 IIAAMO CCCCc1ncc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)[nH]1 ZINC000012316758 521295383 /nfs/dbraw/zinc/29/53/83/521295383.db2.gz OJTWEPVTVVWIKP-LJQANCHMSA-N 1 1 442.604 4.078 50 0 IIAAMO CCCCc1nc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c[nH]1 ZINC000012316758 521295395 /nfs/dbraw/zinc/29/53/95/521295395.db2.gz OJTWEPVTVVWIKP-LJQANCHMSA-N 1 1 442.604 4.078 50 0 IIAAMO CCCCc1nc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c[nH]1 ZINC000012316758 521295404 /nfs/dbraw/zinc/29/54/04/521295404.db2.gz OJTWEPVTVVWIKP-LJQANCHMSA-N 1 1 442.604 4.078 50 0 IIAAMO CCC(CC)C(=O)N1CCC[C@@H](COc2cccc(C[N@@H+](C)C3CCN(C)CC3)c2)C1 ZINC000012191057 521489024 /nfs/dbraw/zinc/48/90/24/521489024.db2.gz CYLJGSKDLIMKPK-JOCHJYFZSA-N 1 1 429.649 4.266 50 0 IIAAMO CCC(CC)C(=O)N1CCC[C@@H](COc2cccc(CN(C)C3CC[NH+](C)CC3)c2)C1 ZINC000012191057 521489034 /nfs/dbraw/zinc/48/90/34/521489034.db2.gz CYLJGSKDLIMKPK-JOCHJYFZSA-N 1 1 429.649 4.266 50 0 IIAAMO CCOC(=O)c1cnc(-c2ccc(OC)c(OC)c2)nc1NCCC[N@H+]1CCCC[C@@H]1C ZINC000022666433 521569256 /nfs/dbraw/zinc/56/92/56/521569256.db2.gz MZBCVTLFSPROJB-KRWDZBQOSA-N 1 1 442.560 4.014 50 0 IIAAMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC([C@@H](O)c4cccs4)CC3)c(C)o2)cc1 ZINC000012200736 521928653 /nfs/dbraw/zinc/92/86/53/521928653.db2.gz PXPBZZJVUHTTSD-OAQYLSRUSA-N 1 1 426.538 4.444 50 0 IIAAMO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000012761164 522008746 /nfs/dbraw/zinc/00/87/46/522008746.db2.gz KMEOSBMNCULXJR-NRFANRHFSA-N 1 1 448.394 4.265 50 0 IIAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc(OC)c1OC ZINC000012387289 522372062 /nfs/dbraw/zinc/37/20/62/522372062.db2.gz CCGKQFCYXOUTRX-LJQANCHMSA-N 1 1 427.541 4.433 50 0 IIAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc(OC)c1OC ZINC000012387289 522372073 /nfs/dbraw/zinc/37/20/73/522372073.db2.gz CCGKQFCYXOUTRX-LJQANCHMSA-N 1 1 427.541 4.433 50 0 IIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000012885287 522967074 /nfs/dbraw/zinc/96/70/74/522967074.db2.gz BKGNLSHFTSZWQC-IGKWTDBASA-N 1 1 444.959 4.361 50 0 biogenic IIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000012885287 522967082 /nfs/dbraw/zinc/96/70/82/522967082.db2.gz BKGNLSHFTSZWQC-IGKWTDBASA-N 1 1 444.959 4.361 50 0 biogenic IIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036040975 523037911 /nfs/dbraw/zinc/03/79/11/523037911.db2.gz HBMRBANKSBOWFD-RUZDIDTESA-N 1 1 444.575 4.471 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036040975 523037921 /nfs/dbraw/zinc/03/79/21/523037921.db2.gz HBMRBANKSBOWFD-RUZDIDTESA-N 1 1 444.575 4.471 50 0 IIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012736621 523195881 /nfs/dbraw/zinc/19/58/81/523195881.db2.gz FLHHSHBGWKYSMS-LJQANCHMSA-N 1 1 445.357 4.016 50 0 IIAAMO CN(Cc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012736621 523195889 /nfs/dbraw/zinc/19/58/89/523195889.db2.gz FLHHSHBGWKYSMS-LJQANCHMSA-N 1 1 445.357 4.016 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000012784423 523240938 /nfs/dbraw/zinc/24/09/38/523240938.db2.gz HKHSPHVOTUSEQE-JOCHJYFZSA-N 1 1 430.508 4.174 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(Cc3cc(C)on3)CC2)cc1 ZINC000022789706 523243869 /nfs/dbraw/zinc/24/38/69/523243869.db2.gz GMMBHSJCCXOIKQ-UHFFFAOYSA-N 1 1 443.551 4.162 50 0 IIAAMO CCn1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c(C)n1 ZINC000020995047 523372944 /nfs/dbraw/zinc/37/29/44/523372944.db2.gz ORPQESXOMRTGBT-JOCHJYFZSA-N 1 1 435.538 4.017 50 0 IIAAMO CCn1cc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c(C)n1 ZINC000020995047 523372953 /nfs/dbraw/zinc/37/29/53/523372953.db2.gz ORPQESXOMRTGBT-JOCHJYFZSA-N 1 1 435.538 4.017 50 0 IIAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012903130 524254121 /nfs/dbraw/zinc/25/41/21/524254121.db2.gz JLIMDXZKZPXJNE-AWEZNQCLSA-N 1 1 426.870 4.293 50 0 IIAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012903130 524254128 /nfs/dbraw/zinc/25/41/28/524254128.db2.gz JLIMDXZKZPXJNE-AWEZNQCLSA-N 1 1 426.870 4.293 50 0 IIAAMO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012756651 524267140 /nfs/dbraw/zinc/26/71/40/524267140.db2.gz LLPAIWTXNLZYTG-HNNXBMFYSA-N 1 1 430.346 4.127 50 0 IIAAMO Cc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(C)c4)[nH]c(=O)c3C2)cc1 ZINC000020467775 524477065 /nfs/dbraw/zinc/47/70/65/524477065.db2.gz HBLWJLGNPFYPCY-UHFFFAOYSA-N 1 1 448.592 4.397 50 0 IIAAMO COc1ccc(NC(=O)CC[NH+]2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020766747 524480526 /nfs/dbraw/zinc/48/05/26/524480526.db2.gz CBTPZYUNNTUXBN-UHFFFAOYSA-N 1 1 427.548 4.411 50 0 IIAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000012765744 524895699 /nfs/dbraw/zinc/89/56/99/524895699.db2.gz MUKBKSAGCWPYPX-FQEVSTJZSA-N 1 1 447.373 4.262 50 0 IIAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000012765744 524895712 /nfs/dbraw/zinc/89/57/12/524895712.db2.gz MUKBKSAGCWPYPX-FQEVSTJZSA-N 1 1 447.373 4.262 50 0 IIAAMO COc1ccc2[nH]c([C@@H]3C[C@H]4CN(Cc5ccccc5OC)C(=O)[C@]45CCC[N@@H+]35)c(C)c2c1 ZINC000020996631 525480517 /nfs/dbraw/zinc/48/05/17/525480517.db2.gz ZKRFVZOGWCZQFX-UHORWHLBSA-N 1 1 445.563 4.432 50 0 IIAAMO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1OC ZINC000020453252 525937935 /nfs/dbraw/zinc/93/79/35/525937935.db2.gz FOXYTLHYKXVJER-JOCHJYFZSA-N 1 1 429.992 4.144 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1OC ZINC000020453252 525937940 /nfs/dbraw/zinc/93/79/40/525937940.db2.gz FOXYTLHYKXVJER-JOCHJYFZSA-N 1 1 429.992 4.144 50 0 IIAAMO CSc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000012754078 525990982 /nfs/dbraw/zinc/99/09/82/525990982.db2.gz NUMBKYSKIRLNLO-NRFANRHFSA-N 1 1 438.641 4.145 50 0 IIAAMO COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]23)c1 ZINC000035870688 526200873 /nfs/dbraw/zinc/20/08/73/526200873.db2.gz HKHRVFDJYYDLOV-AZGAKELHSA-N 1 1 445.538 4.336 50 0 IIAAMO Cc1coc2c1cc1c(C)c(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc1c2C ZINC000020622588 526291641 /nfs/dbraw/zinc/29/16/41/526291641.db2.gz ZQSWXCYDTTXCGJ-UHFFFAOYSA-N 1 1 444.531 4.351 50 0 IIAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000012297556 526747766 /nfs/dbraw/zinc/74/77/66/526747766.db2.gz YBGLOZQKOAYDAX-INIZCTEOSA-N 1 1 439.537 4.082 50 0 IIAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000012297556 526747773 /nfs/dbraw/zinc/74/77/73/526747773.db2.gz YBGLOZQKOAYDAX-INIZCTEOSA-N 1 1 439.537 4.082 50 0 IIAAMO O=C(CN1CCSc2ccccc21)NCCC[N@@H+](CCc1ccccc1)Cc1ccco1 ZINC000021093640 526798694 /nfs/dbraw/zinc/79/86/94/526798694.db2.gz APSQALZDUJSVEL-UHFFFAOYSA-N 1 1 449.620 4.443 50 0 IIAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000057286152 526887313 /nfs/dbraw/zinc/88/73/13/526887313.db2.gz VUGBWYSZBNTJCR-HSZRJFAPSA-N 1 1 425.529 4.042 50 0 IIAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012386506 527196476 /nfs/dbraw/zinc/19/64/76/527196476.db2.gz JYKJHMLEXXQTFV-IBGZPJMESA-N 1 1 426.504 4.037 50 0 IIAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012386506 527196480 /nfs/dbraw/zinc/19/64/80/527196480.db2.gz JYKJHMLEXXQTFV-IBGZPJMESA-N 1 1 426.504 4.037 50 0 IIAAMO COc1ccccc1C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)nc1 ZINC000034681819 555815348 /nfs/dbraw/zinc/81/53/48/555815348.db2.gz MQPQROWIRBAXJP-UHFFFAOYSA-N 1 1 430.552 4.363 50 0 IIAAMO COc1cccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccc(F)cc4)c3)CC2)c1 ZINC000034684819 555820478 /nfs/dbraw/zinc/82/04/78/555820478.db2.gz BPRVDFFACZDJLM-UHFFFAOYSA-N 1 1 433.527 4.087 50 0 IIAAMO COc1cccc(N2CC[NH+](Cc3cccc(C(=O)N(C)Cc4ccccc4)c3)CC2)c1 ZINC000034684830 555820605 /nfs/dbraw/zinc/82/06/05/555820605.db2.gz ZFOLQFVUVBXAHR-UHFFFAOYSA-N 1 1 429.564 4.290 50 0 IIAAMO CCCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)cc1 ZINC000034855579 555924212 /nfs/dbraw/zinc/92/42/12/555924212.db2.gz BTNPBXAELKHCCW-UUOWRZLLSA-N 1 1 425.573 4.209 50 0 IIAAMO CCCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000034855579 555924218 /nfs/dbraw/zinc/92/42/18/555924218.db2.gz BTNPBXAELKHCCW-UUOWRZLLSA-N 1 1 425.573 4.209 50 0 IIAAMO COc1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000097546835 556247389 /nfs/dbraw/zinc/24/73/89/556247389.db2.gz LLNXKKJMOBFZOZ-CPJSRVTESA-N 1 1 449.620 4.434 50 0 IIAAMO COc1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000097546836 556247493 /nfs/dbraw/zinc/24/74/93/556247493.db2.gz LLNXKKJMOBFZOZ-NLFFAJNJSA-N 1 1 449.620 4.434 50 0 IIAAMO O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757087 556324723 /nfs/dbraw/zinc/32/47/23/556324723.db2.gz SRCMXBDSSQIDDK-QFIPXVFZSA-N 1 1 436.577 4.417 50 0 IIAAMO CCOc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000011662097 556343599 /nfs/dbraw/zinc/34/35/99/556343599.db2.gz PQXDSGJHECNVIX-HXUWFJFHSA-N 1 1 440.584 4.411 50 0 IIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000014017699 556355994 /nfs/dbraw/zinc/35/59/94/556355994.db2.gz KQDIWVCEYAOAFR-MRXNPFEDSA-N 1 1 433.508 4.127 50 0 IIAAMO CC[NH+]1CCC(N2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)CC1 ZINC000011812794 556356427 /nfs/dbraw/zinc/35/64/27/556356427.db2.gz FXXFZNSMCALZJW-UHFFFAOYSA-N 1 1 434.024 4.340 50 0 IIAAMO Cc1cccn2c(C[N@@H+](C)CCC3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000011818251 556360409 /nfs/dbraw/zinc/36/04/09/556360409.db2.gz XAORUARHHNZDPT-UHFFFAOYSA-N 1 1 448.611 4.206 50 0 IIAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000011818482 556360482 /nfs/dbraw/zinc/36/04/82/556360482.db2.gz KDMOYRSXZCEQJB-FQEVSTJZSA-N 1 1 440.584 4.411 50 0 IIAAMO CN(C(=O)CC[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1)C1CC[NH+](C)CC1 ZINC000011840749 556364826 /nfs/dbraw/zinc/36/48/26/556364826.db2.gz WEPHZDNHTGOFBH-SFHVURJKSA-N 1 1 425.539 4.250 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011842892 556366318 /nfs/dbraw/zinc/36/63/18/556366318.db2.gz WOJDXEMQGPMJRD-QFIPXVFZSA-N 1 1 441.566 4.301 50 0 IIAAMO CC(=O)N1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000011844232 556367203 /nfs/dbraw/zinc/36/72/03/556367203.db2.gz PVAYTXAOLYPAPR-UHFFFAOYSA-N 1 1 428.536 4.399 50 0 IIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(C)o2)CCO3)C1 ZINC000011911160 556375276 /nfs/dbraw/zinc/37/52/76/556375276.db2.gz LDXQQYKCLFPFHV-JOCHJYFZSA-N 1 1 439.600 4.063 50 0 IIAAMO CC(C)c1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)cs1 ZINC000011933210 556376928 /nfs/dbraw/zinc/37/69/28/556376928.db2.gz XKROPQPGNHRUAY-LJQANCHMSA-N 1 1 446.636 4.322 50 0 IIAAMO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000011974943 556383253 /nfs/dbraw/zinc/38/32/53/556383253.db2.gz ZXBNHZAWOPHENP-QFIPXVFZSA-N 1 1 449.580 4.271 50 0 IIAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 ZINC000011998534 556384837 /nfs/dbraw/zinc/38/48/37/556384837.db2.gz LONLIGMKIJHSPP-SFHVURJKSA-N 1 1 444.547 4.160 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)cc1OC ZINC000032623083 556410464 /nfs/dbraw/zinc/41/04/64/556410464.db2.gz HMHAIJCEGKAEQO-GOSISDBHSA-N 1 1 441.553 4.377 50 0 IIAAMO Cc1ccccc1C[NH+]1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000022932384 556418138 /nfs/dbraw/zinc/41/81/38/556418138.db2.gz SONGTHXNWAVUHG-UHFFFAOYSA-N 1 1 430.577 4.278 50 0 IIAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1Br ZINC000012973476 556419758 /nfs/dbraw/zinc/41/97/58/556419758.db2.gz QXKJPEGRHXYXQF-MRXNPFEDSA-N 1 1 430.346 4.047 50 0 IIAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1Br ZINC000012973476 556419761 /nfs/dbraw/zinc/41/97/61/556419761.db2.gz QXKJPEGRHXYXQF-MRXNPFEDSA-N 1 1 430.346 4.047 50 0 IIAAMO Cc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](CC(C)C)C2)cc1 ZINC000014753166 556444075 /nfs/dbraw/zinc/44/40/75/556444075.db2.gz UKEYITRDYXWYJM-LOSJGSFVSA-N 1 1 447.623 4.333 50 0 IIAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCc2ccccc21 ZINC000029486136 556476546 /nfs/dbraw/zinc/47/65/46/556476546.db2.gz KWYUWOWEJRMKGS-QFIPXVFZSA-N 1 1 443.503 4.225 50 0 IIAAMO CCCO[C@H]1CCC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)C1 ZINC000015072136 556496765 /nfs/dbraw/zinc/49/67/65/556496765.db2.gz SECAFYFUNMBPDZ-FQEVSTJZSA-N 1 1 440.613 4.102 50 0 IIAAMO CCCO[C@H]1CCC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)C1 ZINC000015072136 556496768 /nfs/dbraw/zinc/49/67/68/556496768.db2.gz SECAFYFUNMBPDZ-FQEVSTJZSA-N 1 1 440.613 4.102 50 0 IIAAMO Cn1c(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc2ccccc21 ZINC000015073375 556497806 /nfs/dbraw/zinc/49/78/06/556497806.db2.gz FOZYFSRDRWWQFJ-QGZVFWFLSA-N 1 1 426.511 4.160 50 0 IIAAMO Cn1c(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc2ccccc21 ZINC000015073375 556497808 /nfs/dbraw/zinc/49/78/08/556497808.db2.gz FOZYFSRDRWWQFJ-QGZVFWFLSA-N 1 1 426.511 4.160 50 0 IIAAMO Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)c21 ZINC000013626544 556537322 /nfs/dbraw/zinc/53/73/22/556537322.db2.gz KOKHOODDOAYNLE-UHFFFAOYSA-N 1 1 444.531 4.351 50 0 IIAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016038810 556578032 /nfs/dbraw/zinc/57/80/32/556578032.db2.gz ZNGCUXZCZYPKEK-BQJUDKOJSA-N 1 1 434.923 4.471 50 0 IIAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016038810 556578035 /nfs/dbraw/zinc/57/80/35/556578035.db2.gz ZNGCUXZCZYPKEK-BQJUDKOJSA-N 1 1 434.923 4.471 50 0 IIAAMO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000032936800 556678698 /nfs/dbraw/zinc/67/86/98/556678698.db2.gz ZTWMVQTTXIUWJQ-UHFFFAOYSA-N 1 1 448.571 4.047 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023036 556691117 /nfs/dbraw/zinc/69/11/17/556691117.db2.gz CTFKSLYPINLIIG-LJQANCHMSA-N 1 1 441.601 4.052 50 0 IIAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)c(OC)c1 ZINC000019229319 556718042 /nfs/dbraw/zinc/71/80/42/556718042.db2.gz QORUNDRZDQDJBS-QFIPXVFZSA-N 1 1 436.596 4.306 50 0 IIAAMO COc1ccc(C(=O)[C@H]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)c(OC)c1 ZINC000019229319 556718046 /nfs/dbraw/zinc/71/80/46/556718046.db2.gz QORUNDRZDQDJBS-QFIPXVFZSA-N 1 1 436.596 4.306 50 0 IIAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(Cl)c1 ZINC000052596035 556719726 /nfs/dbraw/zinc/71/97/26/556719726.db2.gz NZEOUANSMYJCNQ-PXNSSMCTSA-N 1 1 426.973 4.230 50 0 IIAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000052596035 556719727 /nfs/dbraw/zinc/71/97/27/556719727.db2.gz NZEOUANSMYJCNQ-PXNSSMCTSA-N 1 1 426.973 4.230 50 0 IIAAMO CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000058078261 556756696 /nfs/dbraw/zinc/75/66/96/556756696.db2.gz GRNQZDWHNFCKSF-UGKGYDQZSA-N 1 1 445.554 4.104 50 0 IIAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)C1 ZINC000058175429 556769370 /nfs/dbraw/zinc/76/93/70/556769370.db2.gz QYCFUCZZNWMFKY-SFTDATJTSA-N 1 1 428.621 4.013 50 0 IIAAMO COC(=O)c1cccc(C[NH+]2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000063587561 556821268 /nfs/dbraw/zinc/82/12/68/556821268.db2.gz QWNIZUPDCVWMJK-UHFFFAOYSA-N 1 1 444.560 4.467 50 0 IIAAMO CC(C)c1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000033139847 556874885 /nfs/dbraw/zinc/87/48/85/556874885.db2.gz YQGCQEVWEUDQCL-UHFFFAOYSA-N 1 1 444.942 4.197 50 0 IIAAMO CC(C)c1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000033139842 556874922 /nfs/dbraw/zinc/87/49/22/556874922.db2.gz JQDLNPLVAKSWRB-UHFFFAOYSA-N 1 1 426.952 4.058 50 0 IIAAMO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c1C ZINC000019908959 556942877 /nfs/dbraw/zinc/94/28/77/556942877.db2.gz MOPMTTNZFNAOHN-RUZDIDTESA-N 1 1 444.575 4.096 50 0 IIAAMO COc1cc(/C=C/C[N@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1O ZINC000020149579 556990892 /nfs/dbraw/zinc/99/08/92/556990892.db2.gz YJMMIKOUOSGIHT-OJZQOFKYSA-N 1 1 442.003 4.354 50 0 IIAAMO COc1cc(/C=C/CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)ccc1O ZINC000020149579 556990893 /nfs/dbraw/zinc/99/08/93/556990893.db2.gz YJMMIKOUOSGIHT-OJZQOFKYSA-N 1 1 442.003 4.354 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)CCc2cnn(C)c2)cc1F ZINC000020203465 556998054 /nfs/dbraw/zinc/99/80/54/556998054.db2.gz HTYSBQPFIDGHTM-UHFFFAOYSA-N 1 1 433.531 4.403 50 0 IIAAMO COCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032280 557024660 /nfs/dbraw/zinc/02/46/60/557024660.db2.gz WSQFUXXEAYVWMV-UHFFFAOYSA-N 1 1 440.956 4.120 50 0 IIAAMO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032280 557024664 /nfs/dbraw/zinc/02/46/64/557024664.db2.gz WSQFUXXEAYVWMV-UHFFFAOYSA-N 1 1 440.956 4.120 50 0 IIAAMO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccc2c(c1)OCCCO2 ZINC000022925079 557048173 /nfs/dbraw/zinc/04/81/73/557048173.db2.gz UASDOACVFQPUOO-UHFFFAOYSA-N 1 1 440.543 4.418 50 0 IIAAMO CCOc1ccc(C(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000017307340 557053413 /nfs/dbraw/zinc/05/34/13/557053413.db2.gz OMHPSKCFBARTMG-UHFFFAOYSA-N 1 1 431.540 4.198 50 0 IIAAMO Cc1ccccc1-c1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000023153321 557069336 /nfs/dbraw/zinc/06/93/36/557069336.db2.gz CJGWBPHTQFCYQT-MHZLTWQESA-N 1 1 435.656 4.403 50 0 IIAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000011344558 557103492 /nfs/dbraw/zinc/10/34/92/557103492.db2.gz PSYUXICVBIAJTG-GOSISDBHSA-N 1 1 430.508 4.280 50 0 IIAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000011344558 557103495 /nfs/dbraw/zinc/10/34/95/557103495.db2.gz PSYUXICVBIAJTG-GOSISDBHSA-N 1 1 430.508 4.280 50 0 IIAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cn(CC(C)C)c(=O)c2c1c1ccccc1n2C ZINC000004789026 557119862 /nfs/dbraw/zinc/11/98/62/557119862.db2.gz YZUIWYODBFVNFX-UHFFFAOYSA-N 1 1 438.616 4.391 50 0 IIAAMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000024927901 557180386 /nfs/dbraw/zinc/18/03/86/557180386.db2.gz OOLMEAQIPRHYEH-UHFFFAOYSA-N 1 1 446.429 4.312 50 0 IIAAMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 ZINC000009355137 557187883 /nfs/dbraw/zinc/18/78/83/557187883.db2.gz IBOCSXKHXDKQQK-UHFFFAOYSA-N 1 1 442.972 4.355 50 0 IIAAMO CCOc1ccc(CN2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)cc1 ZINC000097259304 557214690 /nfs/dbraw/zinc/21/46/90/557214690.db2.gz ZMNCFUGXZWTEJY-QFIPXVFZSA-N 1 1 437.609 4.278 50 0 IIAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)cc1 ZINC000097259304 557214693 /nfs/dbraw/zinc/21/46/93/557214693.db2.gz ZMNCFUGXZWTEJY-QFIPXVFZSA-N 1 1 437.609 4.278 50 0 IIAAMO COc1ccc2c(ccn2CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000257198756 557395366 /nfs/dbraw/zinc/39/53/66/557395366.db2.gz HYOQKVKXBAYWJG-CXTNQITHSA-N 1 1 433.596 4.462 50 0 biogenic IIAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000004911815 557404364 /nfs/dbraw/zinc/40/43/64/557404364.db2.gz TZZOALFOPKHKOT-UHFFFAOYSA-N 1 1 425.602 4.492 50 0 IIAAMO CCC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000105002844 557470336 /nfs/dbraw/zinc/47/03/36/557470336.db2.gz OPZKSNAVAZBEPP-NFBKMPQASA-N 1 1 444.641 4.434 50 0 IIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000105747482 557510914 /nfs/dbraw/zinc/51/09/14/557510914.db2.gz CNEAOBOAPPBZSD-VANUSSGQSA-N 1 1 438.568 4.324 50 0 IIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000105747482 557510917 /nfs/dbraw/zinc/51/09/17/557510917.db2.gz CNEAOBOAPPBZSD-VANUSSGQSA-N 1 1 438.568 4.324 50 0 IIAAMO CCCC[N@@H+](CC)CCCNC(=O)Nc1sc2nc3n(c(=O)c2c1C)CC[C@@H](C)CC3 ZINC000008605191 562956638 /nfs/dbraw/zinc/95/66/38/562956638.db2.gz IWLYMSSTSHQCAK-INIZCTEOSA-N 1 1 447.649 4.372 50 0 IIAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000009433739 562971011 /nfs/dbraw/zinc/97/10/11/562971011.db2.gz HPFRIFSWFSFWPI-UHFFFAOYSA-N 1 1 435.568 4.241 50 0 IIAAMO COc1ccc([C@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440820 563024844 /nfs/dbraw/zinc/02/48/44/563024844.db2.gz VARZVSBFQFXSMO-BDYUSTAISA-N 1 1 433.548 4.056 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983014 568623882 /nfs/dbraw/zinc/62/38/82/568623882.db2.gz CXXQPONNTZEJHG-FGZHOGPDSA-N 1 1 434.939 4.260 50 0 IIAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983501 568623904 /nfs/dbraw/zinc/62/39/04/568623904.db2.gz FNVKEINNWILHID-IZZNHLLZSA-N 1 1 448.538 4.399 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015225605 568734087 /nfs/dbraw/zinc/73/40/87/568734087.db2.gz ZXDLJIVAHILJQZ-GASCZTMLSA-N 1 1 434.533 4.169 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015225605 568734089 /nfs/dbraw/zinc/73/40/89/568734089.db2.gz ZXDLJIVAHILJQZ-GASCZTMLSA-N 1 1 434.533 4.169 50 0 IIAAMO Cc1cc(NC(=O)C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)ccc1Br ZINC000044443310 568752379 /nfs/dbraw/zinc/75/23/79/568752379.db2.gz LZISMXPUBSLWDV-UHFFFAOYSA-N 1 1 427.346 4.485 50 0 IIAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c(C)c1 ZINC000015671322 568803065 /nfs/dbraw/zinc/80/30/65/568803065.db2.gz UEGSEHOTLZOSRV-UHFFFAOYSA-N 1 1 425.558 4.321 50 0 IIAAMO COc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000015679535 568806065 /nfs/dbraw/zinc/80/60/65/568806065.db2.gz BIKDOUBJCKSDMG-SFHVURJKSA-N 1 1 439.556 4.015 50 0 IIAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015681500 568806609 /nfs/dbraw/zinc/80/66/09/568806609.db2.gz SNWZJWMZFVANKB-UHFFFAOYSA-N 1 1 439.563 4.238 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868567 568851925 /nfs/dbraw/zinc/85/19/25/568851925.db2.gz DAMBHQPQEUJWIB-QFIPXVFZSA-N 1 1 438.616 4.181 50 0 IIAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012999338 568898206 /nfs/dbraw/zinc/89/82/06/568898206.db2.gz SRGKAMGDQFSWCQ-UHFFFAOYSA-N 1 1 443.906 4.205 50 0 IIAAMO C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000013004605 568898898 /nfs/dbraw/zinc/89/88/98/568898898.db2.gz GXBJQWARNDXAMD-NXTQRVMMSA-N 1 1 444.645 4.179 50 0 IIAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000245311006 568914553 /nfs/dbraw/zinc/91/45/53/568914553.db2.gz LETHRQGOKYTXCQ-DFCKQENNSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000245311006 568914556 /nfs/dbraw/zinc/91/45/56/568914556.db2.gz LETHRQGOKYTXCQ-DFCKQENNSA-N 1 1 438.568 4.319 50 0 IIAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146402 568962791 /nfs/dbraw/zinc/96/27/91/568962791.db2.gz ZQMAYWBZQOTNKG-YADHBBJMSA-N 1 1 432.511 4.136 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146407 568962859 /nfs/dbraw/zinc/96/28/59/568962859.db2.gz RNKZCSCBXFLBRV-SFTDATJTSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146407 568962861 /nfs/dbraw/zinc/96/28/61/568962861.db2.gz RNKZCSCBXFLBRV-SFTDATJTSA-N 1 1 434.939 4.260 50 0 IIAAMO CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036208310 568973423 /nfs/dbraw/zinc/97/34/23/568973423.db2.gz LWCDBGYGTHFKRF-HXUWFJFHSA-N 1 1 427.545 4.180 50 0 IIAAMO CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036208310 568973424 /nfs/dbraw/zinc/97/34/24/568973424.db2.gz LWCDBGYGTHFKRF-HXUWFJFHSA-N 1 1 427.545 4.180 50 0 IIAAMO CC(C)CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](C)O ZINC000169680258 568990722 /nfs/dbraw/zinc/99/07/22/568990722.db2.gz ZZBAMBKDMQAPGE-XMSQKQJNSA-N 1 1 448.604 4.121 50 0 IIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](CC(C)C)C[C@@H](C)O)c(C)c1 ZINC000036310106 568996466 /nfs/dbraw/zinc/99/64/66/568996466.db2.gz XSSXMLUOXYPENQ-IFMALSPDSA-N 1 1 444.641 4.209 50 0 IIAAMO COc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000064979608 569078222 /nfs/dbraw/zinc/07/82/22/569078222.db2.gz VIZWOHAMNVCSRI-UHFFFAOYSA-N 1 1 427.526 4.387 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343518 569080498 /nfs/dbraw/zinc/08/04/98/569080498.db2.gz YNRCAUJSRYCVRG-NOZRDPDXSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343518 569080499 /nfs/dbraw/zinc/08/04/99/569080499.db2.gz YNRCAUJSRYCVRG-NOZRDPDXSA-N 1 1 447.579 4.256 50 0 IIAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c32)CC1 ZINC000036618420 569124368 /nfs/dbraw/zinc/12/43/68/569124368.db2.gz LZCKWWPMYAMTJJ-UHFFFAOYSA-N 1 1 430.483 4.474 50 0 IIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000524732261 569126747 /nfs/dbraw/zinc/12/67/47/569126747.db2.gz ZOXWPOOUUNJTDH-XZOQPEGZSA-N 1 1 428.617 4.072 50 0 biogenic IIAAMO CC[N@@H+](C)[C@H](C(=O)NCc1cccc(-c2nc(-c3ccncc3)no2)c1)c1ccccc1 ZINC000170610179 569145081 /nfs/dbraw/zinc/14/50/81/569145081.db2.gz NYIJNUAIJUBLTQ-QFIPXVFZSA-N 1 1 427.508 4.108 50 0 IIAAMO COC(=O)c1sccc1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013736944 569156921 /nfs/dbraw/zinc/15/69/21/569156921.db2.gz MLXVQRJRTRVWAX-UHFFFAOYSA-N 1 1 435.549 4.474 50 0 IIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12 ZINC000524731584 569188617 /nfs/dbraw/zinc/18/86/17/569188617.db2.gz CQSPXAILAFPDFO-LADGPHEKSA-N 1 1 425.617 4.241 50 0 biogenic IIAAMO CC[NH+]1CCN(C(=O)CCn2c3ccccc3nc2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000037397312 569193240 /nfs/dbraw/zinc/19/32/40/569193240.db2.gz APGBMRGPMIVZRZ-UHFFFAOYSA-N 1 1 445.394 4.488 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523704 569198747 /nfs/dbraw/zinc/19/87/47/569198747.db2.gz GTPXADIQRVKYFE-FYYLOGMGSA-N 1 1 430.539 4.311 50 0 IIAAMO C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(NCC(C)(C)[NH+]4CCOCC4)c23)C1 ZINC000013097567 569309799 /nfs/dbraw/zinc/30/97/99/569309799.db2.gz OHXMUPPKGUGAAD-MRXNPFEDSA-N 1 1 437.613 4.401 50 0 IIAAMO Cc1cc(F)ccc1N1CCC([N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000019219982 569316497 /nfs/dbraw/zinc/31/64/97/569316497.db2.gz LTOWNUVFTTWBPT-AREMUKBSSA-N 1 1 436.619 4.390 50 0 IIAAMO Cc1cc(F)ccc1N1CCC([N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000019219988 569316611 /nfs/dbraw/zinc/31/66/11/569316611.db2.gz LTOWNUVFTTWBPT-SANMLTNESA-N 1 1 436.619 4.390 50 0 IIAAMO CCCC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)[C@H](CC)c1ccccc1 ZINC000078813366 569319156 /nfs/dbraw/zinc/31/91/56/569319156.db2.gz AXXLKWGTASCSSH-XMMPIXPASA-N 1 1 427.633 4.491 50 0 IIAAMO O=C(c1ccc2c(c1)NC(=O)c1ccccc1S2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020385163 569362992 /nfs/dbraw/zinc/36/29/92/569362992.db2.gz VSNHOBIGFREGRI-UHFFFAOYSA-N 1 1 429.545 4.362 50 0 IIAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C4CC4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096278691 569389109 /nfs/dbraw/zinc/38/91/09/569389109.db2.gz BTOPNILDMRTGCX-UHFFFAOYSA-N 1 1 444.579 4.124 50 0 IIAAMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000504253707 569443845 /nfs/dbraw/zinc/44/38/45/569443845.db2.gz DQZGUVLFYWXYJF-JXFKEZNVSA-N 1 1 436.478 4.074 50 0 IIAAMO C[NH+]1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546505 569463579 /nfs/dbraw/zinc/46/35/79/569463579.db2.gz MASUISPGTIMYJV-JOCHJYFZSA-N 1 1 436.581 4.204 50 0 IIAAMO COc1ccccc1[C@@H](c1cc(C)sc1NC(=O)c1ccco1)N1CC[NH+](C)CC1 ZINC000038546405 569463618 /nfs/dbraw/zinc/46/36/18/569463618.db2.gz LXVAQKXUCZKVGG-NRFANRHFSA-N 1 1 425.554 4.247 50 0 IIAAMO CCN(Cc1ccc2c(c1)OCO2)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008727692 569472379 /nfs/dbraw/zinc/47/23/79/569472379.db2.gz XAXMQRQCOXLEMQ-SFHVURJKSA-N 1 1 437.565 4.253 50 0 IIAAMO CCOC(=O)c1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000008918595 569486327 /nfs/dbraw/zinc/48/63/27/569486327.db2.gz FXFWLFLEWLWTAF-KKSHJYNMSA-N 1 1 439.625 4.455 50 0 biogenic IIAAMO C[NH+]1CCN([C@@H](CNC(=O)Nc2cccnc2Oc2ccccc2)c2cccs2)CC1 ZINC000040121144 569489503 /nfs/dbraw/zinc/48/95/03/569489503.db2.gz SHGPMQFLSJDTSW-FQEVSTJZSA-N 1 1 437.569 4.046 50 0 IIAAMO Cc1sc2nc(-c3cccs3)nc(NC3CC[NH+](CC(=O)NC(C)C)CC3)c2c1C ZINC000040122901 569489680 /nfs/dbraw/zinc/48/96/80/569489680.db2.gz PLIRNENVZXHTQI-UHFFFAOYSA-N 1 1 443.642 4.438 50 0 IIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(Br)c(Br)s1 ZINC000009366325 569526241 /nfs/dbraw/zinc/52/62/41/569526241.db2.gz DHZYWAPOTJKMAG-NSHDSACASA-N 1 1 448.180 4.433 50 0 IIAAMO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c12 ZINC000009610445 569552503 /nfs/dbraw/zinc/55/25/03/569552503.db2.gz REOGZMAXNLUYFA-UHFFFAOYSA-N 1 1 439.563 4.134 50 0 IIAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(C(N)=O)CC2)cc1 ZINC000001447751 132245623 /nfs/dbraw/zinc/24/56/23/132245623.db2.gz JMHNXLWVNYPUST-UHFFFAOYSA-N 1 1 441.535 4.188 50 0 IIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)C1 ZINC000012594311 520526258 /nfs/dbraw/zinc/52/62/58/520526258.db2.gz MKAAFSDEXITBKK-OAHLLOKOSA-N 1 1 433.936 4.113 50 0 IIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(C)c3OC)oc2C)C1 ZINC000012587381 520528040 /nfs/dbraw/zinc/52/80/40/520528040.db2.gz SDSURDCXCJAGMA-GOSISDBHSA-N 1 1 429.561 4.056 50 0 IIAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041098046 520837602 /nfs/dbraw/zinc/83/76/02/520837602.db2.gz JPHBXMQYIQXKBI-GOSISDBHSA-N 1 1 448.548 4.085 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020507234 521372579 /nfs/dbraw/zinc/37/25/79/521372579.db2.gz HESXUVBANNOGHZ-HOTGVXAUSA-N 1 1 446.569 4.038 50 0 IIAAMO CCOC(=O)c1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020927193 521554715 /nfs/dbraw/zinc/55/47/15/521554715.db2.gz LHSRTPDZQUPWRQ-UHFFFAOYSA-N 1 1 438.553 4.025 50 0 IIAAMO CCN1CC[NH+]([C@H](C)CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000041157324 521694406 /nfs/dbraw/zinc/69/44/06/521694406.db2.gz CPWNCBVEVVCHGR-LJQANCHMSA-N 1 1 442.567 4.390 50 0 IIAAMO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908288 521857018 /nfs/dbraw/zinc/85/70/18/521857018.db2.gz FADAMEZSZOXYEO-JOCHJYFZSA-N 1 1 433.577 4.165 50 0 IIAAMO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908288 521857030 /nfs/dbraw/zinc/85/70/30/521857030.db2.gz FADAMEZSZOXYEO-JOCHJYFZSA-N 1 1 433.577 4.165 50 0 IIAAMO COc1cc(-c2nc(C[N@H+](C)Cc3cccc(-n4cccn4)c3)c(C)o2)cc2c1OCO2 ZINC000020782666 521903411 /nfs/dbraw/zinc/90/34/11/521903411.db2.gz NAKAUBDLKOUCAE-UHFFFAOYSA-N 1 1 432.480 4.205 50 0 IIAAMO COc1cc(-c2nc(C[N@@H+](C)Cc3cccc(-n4cccn4)c3)c(C)o2)cc2c1OCO2 ZINC000020782666 521903420 /nfs/dbraw/zinc/90/34/20/521903420.db2.gz NAKAUBDLKOUCAE-UHFFFAOYSA-N 1 1 432.480 4.205 50 0 IIAAMO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)s2)cc1OC ZINC000012296347 523194587 /nfs/dbraw/zinc/19/45/87/523194587.db2.gz YOWOTYHUUSTJRO-ZWKOTPCHSA-N 1 1 429.586 4.130 50 0 biogenic IIAAMO CN1CCC([N@@H+](C)Cc2cccc(OC[C@@H]3CCCN(C(=O)C4CCCCC4)C3)c2)CC1 ZINC000012279361 523316985 /nfs/dbraw/zinc/31/69/85/523316985.db2.gz GIAUAMXYNKGNRH-HSZRJFAPSA-N 1 1 441.660 4.410 50 0 IIAAMO CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)C3CCCCC3)C2)c1)C1CC[NH+](C)CC1 ZINC000012279361 523316998 /nfs/dbraw/zinc/31/69/98/523316998.db2.gz GIAUAMXYNKGNRH-HSZRJFAPSA-N 1 1 441.660 4.410 50 0 IIAAMO COc1ccc(/C=C/C[N@@H+]2CCOc3c(cc(-c4ccc(OC)nn4)cc3OC)C2)cc1 ZINC000012185729 523406592 /nfs/dbraw/zinc/40/65/92/523406592.db2.gz XGUJUYLIPNBOFN-SNAWJCMRSA-N 1 1 433.508 4.077 50 0 IIAAMO COc1ccc(/C=C/C[N@H+]2CCOc3c(cc(-c4ccc(OC)nn4)cc3OC)C2)cc1 ZINC000012185729 523406600 /nfs/dbraw/zinc/40/66/00/523406600.db2.gz XGUJUYLIPNBOFN-SNAWJCMRSA-N 1 1 433.508 4.077 50 0 IIAAMO COc1ccc(CN2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)cc1OC ZINC000022786817 524032005 /nfs/dbraw/zinc/03/20/05/524032005.db2.gz JDIHDJHMOGUEAG-UHFFFAOYSA-N 1 1 442.563 4.336 50 0 IIAAMO COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OC[C@@H]3CCCC[N@H+]3C)c2n1 ZINC000021788920 524267350 /nfs/dbraw/zinc/26/73/50/524267350.db2.gz WRINCUGMWHQOFV-AWEZNQCLSA-N 1 1 448.445 4.065 50 0 IIAAMO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000012784851 524283591 /nfs/dbraw/zinc/28/35/91/524283591.db2.gz PETHJCOLMIGIMJ-OAQYLSRUSA-N 1 1 430.508 4.174 50 0 IIAAMO COc1ccccc1C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022784931 524352976 /nfs/dbraw/zinc/35/29/76/524352976.db2.gz NFSDPKKDKLLNMX-CPJSRVTESA-N 1 1 449.620 4.434 50 0 IIAAMO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022908158 524416671 /nfs/dbraw/zinc/41/66/71/524416671.db2.gz MBLVHNNDAUOMCU-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022908158 524416679 /nfs/dbraw/zinc/41/66/79/524416679.db2.gz MBLVHNNDAUOMCU-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](CCc2ccccc2)CC3)c1 ZINC000020467802 524421147 /nfs/dbraw/zinc/42/11/47/524421147.db2.gz KITAMXSJMREWJN-UHFFFAOYSA-N 1 1 448.592 4.131 50 0 IIAAMO Cc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cc(C)ccc4C)[nH]c(=O)c3C2)cc1 ZINC000020467774 524477617 /nfs/dbraw/zinc/47/76/17/524477617.db2.gz USXOITQOHQRDOT-UHFFFAOYSA-N 1 1 448.592 4.397 50 0 IIAAMO COc1ccc(OC)c(NC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012298660 524855333 /nfs/dbraw/zinc/85/53/33/524855333.db2.gz BGJBKPDLYXUISV-LJQANCHMSA-N 1 1 429.536 4.261 50 0 IIAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000012813943 524902147 /nfs/dbraw/zinc/90/21/47/524902147.db2.gz PUFIKXXXZCVCNS-INIZCTEOSA-N 1 1 439.581 4.370 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000022908233 525006632 /nfs/dbraw/zinc/00/66/32/525006632.db2.gz OPAPKSQYNLZEBV-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1C ZINC000022908233 525006643 /nfs/dbraw/zinc/00/66/43/525006643.db2.gz OPAPKSQYNLZEBV-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO CSc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000012754084 525990266 /nfs/dbraw/zinc/99/02/66/525990266.db2.gz NUMBKYSKIRLNLO-OAQYLSRUSA-N 1 1 438.641 4.145 50 0 IIAAMO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012853034 526168648 /nfs/dbraw/zinc/16/86/48/526168648.db2.gz JVJGODOGKVASAY-UHFFFAOYSA-N 1 1 430.346 4.047 50 0 IIAAMO O=C(C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000040926713 526305478 /nfs/dbraw/zinc/30/54/78/526305478.db2.gz BUODUIRJXBKOCV-UHFFFAOYSA-N 1 1 428.536 4.265 50 0 IIAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000012601327 526728616 /nfs/dbraw/zinc/72/86/16/526728616.db2.gz UUKRTJUMKMCNSA-UHFFFAOYSA-N 1 1 431.536 4.103 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012679175 526760788 /nfs/dbraw/zinc/76/07/88/526760788.db2.gz QIUIZONWYBCIMY-FQEVSTJZSA-N 1 1 447.626 4.088 50 0 IIAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012679175 526760792 /nfs/dbraw/zinc/76/07/92/526760792.db2.gz QIUIZONWYBCIMY-FQEVSTJZSA-N 1 1 447.626 4.088 50 0 IIAAMO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871486 526777769 /nfs/dbraw/zinc/77/77/69/526777769.db2.gz DKNUMTGHKPSIRT-IFMALSPDSA-N 1 1 447.501 4.220 50 0 IIAAMO O=C(c1cnn(Cc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020892748 526889999 /nfs/dbraw/zinc/88/99/99/526889999.db2.gz YVZOFXCPUXXGFM-UHFFFAOYSA-N 1 1 436.559 4.479 50 0 IIAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000021794829 527005390 /nfs/dbraw/zinc/00/53/90/527005390.db2.gz CWVUWADTJTWCFF-UHFFFAOYSA-N 1 1 427.505 4.069 50 0 IIAAMO NC(=O)c1c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)sc2c1CCCC2 ZINC000012799539 527020001 /nfs/dbraw/zinc/02/00/01/527020001.db2.gz WUSUFFJUCWVNCM-HXUWFJFHSA-N 1 1 443.569 4.244 50 0 IIAAMO O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012788285 527394359 /nfs/dbraw/zinc/39/43/59/527394359.db2.gz UXQYUNGPIGDBPY-UHFFFAOYSA-N 1 1 428.536 4.331 50 0 IIAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000012242402 527491496 /nfs/dbraw/zinc/49/14/96/527491496.db2.gz IZYYAYZZHXATHA-XLIONFOSSA-N 1 1 426.973 4.230 50 0 IIAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000012242402 527491501 /nfs/dbraw/zinc/49/15/01/527491501.db2.gz IZYYAYZZHXATHA-XLIONFOSSA-N 1 1 426.973 4.230 50 0 IIAAMO Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CC[NH+](Cc4ccco4)CC3)c12 ZINC000035924659 527555154 /nfs/dbraw/zinc/55/51/54/527555154.db2.gz UBTCZZRFHFCRSD-UHFFFAOYSA-N 1 1 430.556 4.238 50 0 IIAAMO COc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000034668202 555792364 /nfs/dbraw/zinc/79/23/64/555792364.db2.gz UAZIEQBHDIUSHX-UHFFFAOYSA-N 1 1 439.943 4.194 50 0 IIAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681920 555815675 /nfs/dbraw/zinc/81/56/75/555815675.db2.gz NTCSTTMKANXNFK-UHFFFAOYSA-N 1 1 440.469 4.464 50 0 IIAAMO Cn1c(C2CC2)nn(CN2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1=S ZINC000032770225 556334543 /nfs/dbraw/zinc/33/45/43/556334543.db2.gz JNGVOZBTOXGDNR-UHFFFAOYSA-N 1 1 443.617 4.471 50 0 IIAAMO COC[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011819535 556361361 /nfs/dbraw/zinc/36/13/61/556361361.db2.gz LFZKVTQJZJMDRH-GOSISDBHSA-N 1 1 432.996 4.252 50 0 IIAAMO COC[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011819535 556361366 /nfs/dbraw/zinc/36/13/66/556361366.db2.gz LFZKVTQJZJMDRH-GOSISDBHSA-N 1 1 432.996 4.252 50 0 IIAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC000011821442 556362860 /nfs/dbraw/zinc/36/28/60/556362860.db2.gz QVAATPOKFFMTTP-NRFANRHFSA-N 1 1 433.596 4.143 50 0 IIAAMO COc1ccc(CCN(Cc2nccn2-c2ccc(OC)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000011936106 556378360 /nfs/dbraw/zinc/37/83/60/556378360.db2.gz DZBCYTGZYDWBJE-UHFFFAOYSA-N 1 1 448.611 4.276 50 0 IIAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4c[nH]nc4-c4ccccc4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000011936445 556378787 /nfs/dbraw/zinc/37/87/87/556378787.db2.gz AABBMRBRESJSAK-CHZKFRDHSA-N 1 1 428.536 4.023 50 0 IIAAMO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)c1 ZINC000011972206 556382536 /nfs/dbraw/zinc/38/25/36/556382536.db2.gz UJEIEZLPMOFABI-HSZRJFAPSA-N 1 1 435.612 4.321 50 0 IIAAMO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC000011970726 556382623 /nfs/dbraw/zinc/38/26/23/556382623.db2.gz JBVFPNYVKKKGQJ-IBGZPJMESA-N 1 1 430.951 4.449 50 0 IIAAMO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](C2CCN(CC)CC2)CC1 ZINC000012072341 556395709 /nfs/dbraw/zinc/39/57/09/556395709.db2.gz KJOFOVKHMMGBAP-UHFFFAOYSA-N 1 1 426.523 4.378 50 0 IIAAMO CCc1nn2c(nc(C[N@@H+](CC)Cc3ccc(OCc4ccccc4)cc3)cc2=O)s1 ZINC000032836199 556418274 /nfs/dbraw/zinc/41/82/74/556418274.db2.gz NXAFCRLCGJSDQC-UHFFFAOYSA-N 1 1 434.565 4.315 50 0 IIAAMO CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014746412 556441166 /nfs/dbraw/zinc/44/11/66/556441166.db2.gz ZCJQVLSGYWDEET-BJKOFHAPSA-N 1 1 433.596 4.024 50 0 IIAAMO CCC[NH+]1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000013060455 556450424 /nfs/dbraw/zinc/45/04/24/556450424.db2.gz FBOXKSHQOPKPFV-UHFFFAOYSA-N 1 1 443.473 4.121 50 0 IIAAMO CC(C)C[N@H+]1CCCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000072281878 556463191 /nfs/dbraw/zinc/46/31/91/556463191.db2.gz ASUKKZDGMBETDH-QHCPKHFHSA-N 1 1 442.003 4.392 50 0 IIAAMO O=C1CC[N@@H+](Cc2cccn2-c2nccs2)CCN1Cc1ccccc1C(F)(F)F ZINC000014992462 556475782 /nfs/dbraw/zinc/47/57/82/556475782.db2.gz MBLZITLYCKDZLI-UHFFFAOYSA-N 1 1 434.487 4.187 50 0 IIAAMO O=C1CC[N@H+](Cc2cccn2-c2nccs2)CCN1Cc1ccccc1C(F)(F)F ZINC000014992462 556475785 /nfs/dbraw/zinc/47/57/85/556475785.db2.gz MBLZITLYCKDZLI-UHFFFAOYSA-N 1 1 434.487 4.187 50 0 IIAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000029482789 556476452 /nfs/dbraw/zinc/47/64/52/556476452.db2.gz OXZLGLBECGVQNC-HXUWFJFHSA-N 1 1 433.474 4.100 50 0 IIAAMO C[N@@H+]1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030029978 556489825 /nfs/dbraw/zinc/48/98/25/556489825.db2.gz SFZUDZSYTMGNGS-JWQCQUIFSA-N 1 1 427.548 4.063 50 0 IIAAMO C[N@H+]1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030029978 556489828 /nfs/dbraw/zinc/48/98/28/556489828.db2.gz SFZUDZSYTMGNGS-JWQCQUIFSA-N 1 1 427.548 4.063 50 0 IIAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000015063792 556491462 /nfs/dbraw/zinc/49/14/62/556491462.db2.gz JSGACFNCXINNLO-SFHVURJKSA-N 1 1 432.553 4.036 50 0 IIAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000013153157 556492882 /nfs/dbraw/zinc/49/28/82/556492882.db2.gz RCDDSJPWSHTDAP-NRFANRHFSA-N 1 1 433.508 4.128 50 0 IIAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C ZINC000015068188 556494219 /nfs/dbraw/zinc/49/42/19/556494219.db2.gz DMGMIJOKKCEIQL-RUZDIDTESA-N 1 1 431.584 4.227 50 0 IIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](c3nncn3C)C2)c1 ZINC000015073920 556498179 /nfs/dbraw/zinc/49/81/79/556498179.db2.gz WYLJRLMTFUZIFM-HXUWFJFHSA-N 1 1 428.540 4.056 50 0 IIAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000015276457 556514295 /nfs/dbraw/zinc/51/42/95/556514295.db2.gz QHHDQUUKSRBBNM-PBHICJAKSA-N 1 1 448.445 4.429 50 0 IIAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C1CCCCC1 ZINC000032900658 556529828 /nfs/dbraw/zinc/52/98/28/556529828.db2.gz BWMFNRQCPBQQNN-UHFFFAOYSA-N 1 1 430.552 4.360 50 0 IIAAMO Cc1cnc2c(cccc2S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000032905411 556548477 /nfs/dbraw/zinc/54/84/77/556548477.db2.gz ARQQKNIOLORDLS-UHFFFAOYSA-N 1 1 429.973 4.140 50 0 IIAAMO CCc1cc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)nc(-c2ccncc2)n1 ZINC000072312229 556599377 /nfs/dbraw/zinc/59/93/77/556599377.db2.gz AOQSYZDIQBNVSW-UHFFFAOYSA-N 1 1 447.974 4.114 50 0 IIAAMO CCc1cc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)nc(-c2ccncc2)n1 ZINC000072312229 556599380 /nfs/dbraw/zinc/59/93/80/556599380.db2.gz AOQSYZDIQBNVSW-UHFFFAOYSA-N 1 1 447.974 4.114 50 0 IIAAMO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H]2CCCCC[N@@H+]2C)C3)s1 ZINC000039447084 556628812 /nfs/dbraw/zinc/62/88/12/556628812.db2.gz SIYDXNJPITUCCD-IEBWSBKVSA-N 1 1 430.545 4.051 50 0 IIAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCCc3nnc4ccccn43)c2c1C ZINC000019309470 556735266 /nfs/dbraw/zinc/73/52/66/556735266.db2.gz QPZZOUYXAMWPNT-UHFFFAOYSA-N 1 1 435.601 4.237 50 0 IIAAMO CCCO[C@H]1CCC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055271197 556739490 /nfs/dbraw/zinc/73/94/90/556739490.db2.gz ZZIPWDVOBHCPBR-QHCPKHFHSA-N 1 1 448.611 4.348 50 0 IIAAMO CCCO[C@H]1CCC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055271197 556739492 /nfs/dbraw/zinc/73/94/92/556739492.db2.gz ZZIPWDVOBHCPBR-QHCPKHFHSA-N 1 1 448.611 4.348 50 0 IIAAMO COc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000057234789 556746753 /nfs/dbraw/zinc/74/67/53/556746753.db2.gz BTTKTGJAXPQIIA-UHFFFAOYSA-N 1 1 449.526 4.174 50 0 IIAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc(F)cc1Br ZINC000058109550 556758777 /nfs/dbraw/zinc/75/87/77/556758777.db2.gz KQIKIWMAZFRAFG-ZDUSSCGKSA-N 1 1 432.293 4.166 50 0 IIAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(F)cc1Br ZINC000058109544 556758802 /nfs/dbraw/zinc/75/88/02/556758802.db2.gz KQIKIWMAZFRAFG-CYBMUJFWSA-N 1 1 432.293 4.166 50 0 IIAAMO C[C@@H]1CCC[C@H]([N@@H+](Cc2ccc3c(c2)OCO3)Cc2cc(=O)n3ccsc3n2)[C@@H]1C ZINC000058175797 556769428 /nfs/dbraw/zinc/76/94/28/556769428.db2.gz ZOWQVRUMGDZNHN-MDZRGWNJSA-N 1 1 425.554 4.312 50 0 IIAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+](C)Cc1ccc(OC)c2ncccc12 ZINC000063846985 556822018 /nfs/dbraw/zinc/82/20/18/556822018.db2.gz ANVJVXSYZDQSNM-UHFFFAOYSA-N 1 1 445.567 4.395 50 0 IIAAMO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cc1OC ZINC000019741333 556883283 /nfs/dbraw/zinc/88/32/83/556883283.db2.gz NUMATXIUOIFOMT-JOCHJYFZSA-N 1 1 429.992 4.144 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cc1OC ZINC000019741333 556883287 /nfs/dbraw/zinc/88/32/87/556883287.db2.gz NUMATXIUOIFOMT-JOCHJYFZSA-N 1 1 429.992 4.144 50 0 IIAAMO FC(F)(F)c1ccc(-c2noc(CN3CCC[N@H+](C4Cc5ccccc5C4)CC3)n2)cc1 ZINC000019741874 556885296 /nfs/dbraw/zinc/88/52/96/556885296.db2.gz WXMIRNZROBEWFY-UHFFFAOYSA-N 1 1 442.485 4.431 50 0 IIAAMO CC(=O)O[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019808275 556918345 /nfs/dbraw/zinc/91/83/45/556918345.db2.gz FEVCCASQPMYOGA-AREMUKBSSA-N 1 1 428.532 4.225 50 0 IIAAMO CC(C)c1cc(N(C)Cc2nccn2C(F)F)nc(N(C)Cc2nccn2C(F)F)[nH+]1 ZINC000097141285 556992728 /nfs/dbraw/zinc/99/27/28/556992728.db2.gz UYWROWAEGMVWND-UHFFFAOYSA-N 1 1 440.449 4.056 50 0 IIAAMO CC(C)(C)c1cc([C@@H](c2ccncc2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000020192130 556996316 /nfs/dbraw/zinc/99/63/16/556996316.db2.gz NRTPCGCHVLRMHY-HSZRJFAPSA-N 1 1 425.617 4.082 50 0 IIAAMO O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020328071 557007970 /nfs/dbraw/zinc/00/79/70/557007970.db2.gz QWRBQFCSOXAQIB-RUZDIDTESA-N 1 1 443.522 4.253 50 0 IIAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000020385634 557012358 /nfs/dbraw/zinc/01/23/58/557012358.db2.gz SWNVBMMLMFOXKX-OAQYLSRUSA-N 1 1 436.581 4.274 50 0 IIAAMO O=C(c1cncc(Br)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020412140 557014163 /nfs/dbraw/zinc/01/41/63/557014163.db2.gz JHVTZMVHJXKGPV-UHFFFAOYSA-N 1 1 436.353 4.392 50 0 IIAAMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(Br)c1OC ZINC000019877797 557059133 /nfs/dbraw/zinc/05/91/33/557059133.db2.gz CXTAXDCNJNISNV-MRXNPFEDSA-N 1 1 436.346 4.255 50 0 IIAAMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Br)c1OC ZINC000019877797 557059138 /nfs/dbraw/zinc/05/91/38/557059138.db2.gz CXTAXDCNJNISNV-MRXNPFEDSA-N 1 1 436.346 4.255 50 0 IIAAMO Cc1cccc(C[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C2CC2)c1 ZINC000048340608 557070562 /nfs/dbraw/zinc/07/05/62/557070562.db2.gz DJOFTKUGPAHESB-UHFFFAOYSA-N 1 1 431.583 4.145 50 0 IIAAMO Cc1cccc(C[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C2CC2)c1 ZINC000048340608 557070569 /nfs/dbraw/zinc/07/05/69/557070569.db2.gz DJOFTKUGPAHESB-UHFFFAOYSA-N 1 1 431.583 4.145 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCCc3nc(C(C)(C)C)no3)cc2)C1 ZINC000048353900 557072378 /nfs/dbraw/zinc/07/23/78/557072378.db2.gz ZQCVYBXGMNLIFM-KDURUIRLSA-N 1 1 426.605 4.484 50 0 IIAAMO CCCCc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000049400845 557096347 /nfs/dbraw/zinc/09/63/47/557096347.db2.gz MXHPHFBMQPTWPG-UHFFFAOYSA-N 1 1 444.579 4.091 50 0 IIAAMO Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000033334515 557118952 /nfs/dbraw/zinc/11/89/52/557118952.db2.gz GAXLASJONLSCSC-XIEYBQDHSA-N 1 1 443.547 4.012 50 0 IIAAMO O=C(Cc1csc(-c2ccccc2Cl)n1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023820075 557119233 /nfs/dbraw/zinc/11/92/33/557119233.db2.gz LHWFPAWMPGANMX-UHFFFAOYSA-N 1 1 434.005 4.157 50 0 IIAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC[NH+]2CCOCC2)cc1 ZINC000024102734 557137296 /nfs/dbraw/zinc/13/72/96/557137296.db2.gz TUUBGTDIDADIPM-UHFFFAOYSA-N 1 1 443.551 4.230 50 0 IIAAMO CCn1c2ccccc2c2cc(Nc3ccnc(NCCC[NH+]4CCOCC4)n3)ccc21 ZINC000095100004 557156160 /nfs/dbraw/zinc/15/61/60/557156160.db2.gz AFTZZRFCMOAFCR-UHFFFAOYSA-N 1 1 430.556 4.482 50 0 in-vitro IIAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+](C)Cc1cccs1 ZINC000024829985 557170079 /nfs/dbraw/zinc/17/00/79/557170079.db2.gz KFWSVKVWVUSQBH-AWEZNQCLSA-N 1 1 427.492 4.063 50 0 IIAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+](C)Cc1cccs1 ZINC000024829985 557170084 /nfs/dbraw/zinc/17/00/84/557170084.db2.gz KFWSVKVWVUSQBH-AWEZNQCLSA-N 1 1 427.492 4.063 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000024984677 557185835 /nfs/dbraw/zinc/18/58/35/557185835.db2.gz ACOSYRUVYCJHFF-AWEZNQCLSA-N 1 1 446.569 4.278 50 0 IIAAMO CCOc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)c1 ZINC000100150527 557243810 /nfs/dbraw/zinc/24/38/10/557243810.db2.gz MYAKKSBTMLHVKS-HXUWFJFHSA-N 1 1 435.549 4.207 50 0 IIAAMO Cn1ccnc1[C@H]1CCCCN1C(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104432675 557326776 /nfs/dbraw/zinc/32/67/76/557326776.db2.gz YODDBIWSIATSSP-ILBGXUMGSA-N 1 1 444.579 4.500 50 0 IIAAMO CCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022826 557391201 /nfs/dbraw/zinc/39/12/01/557391201.db2.gz VAGXGNSLZXAILL-XMMPIXPASA-N 1 1 437.971 4.447 50 0 IIAAMO O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198483 557395289 /nfs/dbraw/zinc/39/52/89/557395289.db2.gz AGZMFWWASXUXNB-OFPDSVIMSA-N 1 1 444.579 4.047 50 0 biogenic IIAAMO O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198483 557395296 /nfs/dbraw/zinc/39/52/96/557395296.db2.gz AGZMFWWASXUXNB-OFPDSVIMSA-N 1 1 444.579 4.047 50 0 biogenic IIAAMO O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198483 557395301 /nfs/dbraw/zinc/39/53/01/557395301.db2.gz AGZMFWWASXUXNB-OFPDSVIMSA-N 1 1 444.579 4.047 50 0 biogenic IIAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](C)O ZINC000105004380 557471467 /nfs/dbraw/zinc/47/14/67/557471467.db2.gz WUMWIJAUPGVCBR-SPEDKVCISA-N 1 1 448.604 4.121 50 0 IIAAMO COCCC[N@H+]1CCCN([C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 ZINC000106922339 557533170 /nfs/dbraw/zinc/53/31/70/557533170.db2.gz YROVAUOQIXSKLJ-HSZRJFAPSA-N 1 1 445.991 4.073 50 0 IIAAMO CCCC[N@@H+](CC)CCNC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000006720642 562948242 /nfs/dbraw/zinc/94/82/42/562948242.db2.gz XZMXSVOVYWQUSU-UHFFFAOYSA-N 1 1 425.960 4.496 50 0 IIAAMO c1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc(Oc5ncccn5)cc4)C3)CC2)cc1 ZINC000023373224 568613855 /nfs/dbraw/zinc/61/38/55/568613855.db2.gz DHMCRMMPHLXVOL-XMMPIXPASA-N 1 1 429.568 4.056 50 0 IIAAMO c1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(Oc5ncccn5)cc4)C3)CC2)cc1 ZINC000023373224 568613857 /nfs/dbraw/zinc/61/38/57/568613857.db2.gz DHMCRMMPHLXVOL-XMMPIXPASA-N 1 1 429.568 4.056 50 0 IIAAMO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2cccc(Cl)c2)C[C@@H](O)COC(C)C)C1 ZINC000104982759 568622941 /nfs/dbraw/zinc/62/29/41/568622941.db2.gz INUWNWKBCWJEAU-FGZHOGPDSA-N 1 1 430.976 4.430 50 0 IIAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982647 568622948 /nfs/dbraw/zinc/62/29/48/568622948.db2.gz VKGQATDSZHLVSF-DNQXCXABSA-N 1 1 448.538 4.399 50 0 IIAAMO COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1)CCC2 ZINC000002072930 568742582 /nfs/dbraw/zinc/74/25/82/568742582.db2.gz LVCBMWWFAVHDRR-OAHLLOKOSA-N 1 1 427.570 4.168 50 0 IIAAMO COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H](C)C1)CCC2 ZINC000002072930 568742583 /nfs/dbraw/zinc/74/25/83/568742583.db2.gz LVCBMWWFAVHDRR-OAHLLOKOSA-N 1 1 427.570 4.168 50 0 IIAAMO CCc1ccc(-c2nn3ccnc(N4CC[NH+](Cc5ccccc5)CC4)c3c2C=O)cc1 ZINC000015829462 568841190 /nfs/dbraw/zinc/84/11/90/568841190.db2.gz UMHXSERJLBNOHN-UHFFFAOYSA-N 1 1 425.536 4.093 50 0 IIAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2Br)c1 ZINC000016352096 568877658 /nfs/dbraw/zinc/87/76/58/568877658.db2.gz JQKMCRDYFYIWJW-HXUWFJFHSA-N 1 1 447.373 4.262 50 0 IIAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccccc2Br)c1 ZINC000016352096 568877659 /nfs/dbraw/zinc/87/76/59/568877659.db2.gz JQKMCRDYFYIWJW-HXUWFJFHSA-N 1 1 447.373 4.262 50 0 IIAAMO COc1ccccc1[C@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)[NH+](C)C ZINC000013013874 568901627 /nfs/dbraw/zinc/90/16/27/568901627.db2.gz RELWHIRSKBTXEW-FQEVSTJZSA-N 1 1 427.545 4.004 50 0 IIAAMO COc1ccccc1N1CCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000026867130 568922491 /nfs/dbraw/zinc/92/24/91/568922491.db2.gz MBLRARBEBUHZGF-UHFFFAOYSA-N 1 1 439.575 4.318 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000064459965 568929439 /nfs/dbraw/zinc/92/94/39/568929439.db2.gz ANJHZBVVSAYWPQ-HXUWFJFHSA-N 1 1 425.964 4.434 50 0 IIAAMO Cc1occc1-c1nnc(SCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000089544296 568936984 /nfs/dbraw/zinc/93/69/84/568936984.db2.gz CPLYWDNKHAWBDQ-GOSISDBHSA-N 1 1 446.960 4.337 50 0 IIAAMO Cc1occc1-c1nnc(SCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)o1 ZINC000089544294 568937030 /nfs/dbraw/zinc/93/70/30/568937030.db2.gz CPLYWDNKHAWBDQ-SFHVURJKSA-N 1 1 446.960 4.337 50 0 IIAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991593 568941811 /nfs/dbraw/zinc/94/18/11/568941811.db2.gz HMLQYASYTGAFJM-DEOSSOPVSA-N 1 1 449.551 4.478 50 0 IIAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000036095771 568951651 /nfs/dbraw/zinc/95/16/51/568951651.db2.gz DCAXYCUXXBQDQO-JOCHJYFZSA-N 1 1 437.536 4.155 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)Cc2ccccc2)c1OC ZINC000036103732 568952997 /nfs/dbraw/zinc/95/29/97/568952997.db2.gz NOVWJTGQGJLUPT-QFIPXVFZSA-N 1 1 435.520 4.038 50 0 IIAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801122 568960919 /nfs/dbraw/zinc/96/09/19/568960919.db2.gz CSUDTDXLXWKNNA-UHFFFAOYSA-N 1 1 441.894 4.410 50 0 IIAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064801573 568961464 /nfs/dbraw/zinc/96/14/64/568961464.db2.gz ZVTUKNSCGJGYKD-UHFFFAOYSA-N 1 1 434.500 4.018 50 0 IIAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3cc(OC)c(C)cc3C)cc2)cc(C)[nH+]1 ZINC000064802068 568961810 /nfs/dbraw/zinc/96/18/10/568961810.db2.gz AXBPYAQADQSYMU-UHFFFAOYSA-N 1 1 441.557 4.387 50 0 IIAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145967 568962183 /nfs/dbraw/zinc/96/21/83/568962183.db2.gz JUIFPDABEWZFMR-GOTSBHOMSA-N 1 1 430.976 4.369 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146437 568962838 /nfs/dbraw/zinc/96/28/38/568962838.db2.gz NCVGVSRNJSODEI-GMAHTHKFSA-N 1 1 444.547 4.006 50 0 IIAAMO Cc1sc2nc(C[N@H+](CCC(C)C)C[C@H](O)COc3ccccc3C)[nH]c(=O)c2c1C ZINC000036207051 568973071 /nfs/dbraw/zinc/97/30/71/568973071.db2.gz WIQWRRYJUUDQLX-IBGZPJMESA-N 1 1 443.613 4.198 50 0 IIAAMO Cc1sc2nc(C[N@@H+](CCC(C)C)C[C@H](O)COc3ccccc3C)[nH]c(=O)c2c1C ZINC000036207051 568973073 /nfs/dbraw/zinc/97/30/73/568973073.db2.gz WIQWRRYJUUDQLX-IBGZPJMESA-N 1 1 443.613 4.198 50 0 IIAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)COC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206516 568973121 /nfs/dbraw/zinc/97/31/21/568973121.db2.gz UWXCHRGKUJXNFD-GOSISDBHSA-N 1 1 443.613 4.265 50 0 IIAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](C[C@@H](O)COC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206516 568973123 /nfs/dbraw/zinc/97/31/23/568973123.db2.gz UWXCHRGKUJXNFD-GOSISDBHSA-N 1 1 443.613 4.265 50 0 IIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O ZINC000169680356 568990868 /nfs/dbraw/zinc/99/08/68/568990868.db2.gz UNCAJBSARARORS-XMSQKQJNSA-N 1 1 430.614 4.079 50 0 IIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O ZINC000036309242 568995813 /nfs/dbraw/zinc/99/58/13/568995813.db2.gz DQMWZDUHGVKYEW-CVDCTZTESA-N 1 1 444.641 4.469 50 0 IIAAMO CCC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000036312109 568997477 /nfs/dbraw/zinc/99/74/77/568997477.db2.gz WVWWAGAUUNDSJS-UHFFFAOYSA-N 1 1 436.531 4.171 50 0 IIAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccs1 ZINC000036312193 568997606 /nfs/dbraw/zinc/99/76/06/568997606.db2.gz OENNESIAGWEAOA-UHFFFAOYSA-N 1 1 442.560 4.346 50 0 IIAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)CC(C)C ZINC000036312146 568997630 /nfs/dbraw/zinc/99/76/30/568997630.db2.gz OVVIVOWGIUMPOG-GOSISDBHSA-N 1 1 430.568 4.406 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313040 568998124 /nfs/dbraw/zinc/99/81/24/568998124.db2.gz JNOFZXICWRFDQQ-JOCHJYFZSA-N 1 1 427.589 4.330 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2)C1 ZINC000036341592 569079296 /nfs/dbraw/zinc/07/92/96/569079296.db2.gz INDPNGGZZBGCES-ZCYQVOJMSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2)C1 ZINC000036341592 569079297 /nfs/dbraw/zinc/07/92/97/569079297.db2.gz INDPNGGZZBGCES-ZCYQVOJMSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2)C1 ZINC000036344306 569080024 /nfs/dbraw/zinc/08/00/24/569080024.db2.gz CWHIBUSIEMDKFP-DHLKQENFSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2)C1 ZINC000036344306 569080025 /nfs/dbraw/zinc/08/00/25/569080025.db2.gz CWHIBUSIEMDKFP-DHLKQENFSA-N 1 1 447.579 4.256 50 0 IIAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346590 569081368 /nfs/dbraw/zinc/08/13/68/569081368.db2.gz DSOFQQKFZIXNMA-HXUWFJFHSA-N 1 1 445.510 4.469 50 0 IIAAMO CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153528 569111876 /nfs/dbraw/zinc/11/18/76/569111876.db2.gz NQXHYVPZPMLDPO-UHFFFAOYSA-N 1 1 444.579 4.126 50 0 IIAAMO CC(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000036548244 569117400 /nfs/dbraw/zinc/11/74/00/569117400.db2.gz WEPZKJIBAVSIRI-CLJLJLNGSA-N 1 1 441.575 4.191 50 0 IIAAMO Cc1coc2c1cc1c(C)c(CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc1c2C ZINC000170613370 569146264 /nfs/dbraw/zinc/14/62/64/569146264.db2.gz IBKWTWBXROGHHK-GCJKJVERSA-N 1 1 436.552 4.388 50 0 IIAAMO COc1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662026 569160847 /nfs/dbraw/zinc/16/08/47/569160847.db2.gz RTPFTTKFXSIMNB-VQTJNVASSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662026 569160848 /nfs/dbraw/zinc/16/08/48/569160848.db2.gz RTPFTTKFXSIMNB-VQTJNVASSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662150 569160957 /nfs/dbraw/zinc/16/09/57/569160957.db2.gz IMVYGSMOAAUUMT-UXHICEINSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662150 569160958 /nfs/dbraw/zinc/16/09/58/569160958.db2.gz IMVYGSMOAAUUMT-UXHICEINSA-N 1 1 442.560 4.499 50 0 IIAAMO O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089793776 569164001 /nfs/dbraw/zinc/16/40/01/569164001.db2.gz PVJAQEZGQOQIKP-GOSISDBHSA-N 1 1 449.970 4.039 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037470489 569197462 /nfs/dbraw/zinc/19/74/62/569197462.db2.gz RGEOHYIPFAAHOM-SJORKVTESA-N 1 1 429.948 4.335 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037470489 569197464 /nfs/dbraw/zinc/19/74/64/569197464.db2.gz RGEOHYIPFAAHOM-SJORKVTESA-N 1 1 429.948 4.335 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524394 569198624 /nfs/dbraw/zinc/19/86/24/569198624.db2.gz WHFMJHOYAPUAAH-ZCYQVOJMSA-N 1 1 426.576 4.481 50 0 IIAAMO Cc1ccc(NC(=O)N2CCC3(CC2)C[C@@H](N2CC[NH+](CC(C)C)CC2)CCO3)cc1C ZINC000581819782 569211578 /nfs/dbraw/zinc/21/15/78/569211578.db2.gz KSZLSZGSGGDULQ-DEOSSOPVSA-N 1 1 442.648 4.123 50 0 IIAAMO O=C(NCc1ccc(F)cc1)c1nnc(-c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)o1 ZINC000013364274 569314098 /nfs/dbraw/zinc/31/40/98/569314098.db2.gz WCECXGIQMBUTHA-UHFFFAOYSA-N 1 1 442.494 4.364 50 0 IIAAMO Cc1ccc2cc3cc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)oc3nc2c1 ZINC000020209586 569356059 /nfs/dbraw/zinc/35/60/59/569356059.db2.gz GSJLSHANPCIGRL-UHFFFAOYSA-N 1 1 442.563 4.227 50 0 IIAAMO COc1ccc(/C=C/C(=O)NCCCN2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000020241366 569357894 /nfs/dbraw/zinc/35/78/94/569357894.db2.gz YDSMCGCCFXJMPY-FUVYDJMUSA-N 1 1 427.633 4.190 50 0 IIAAMO CCN(C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095942681 569375542 /nfs/dbraw/zinc/37/55/42/569375542.db2.gz OIKVKTRDLRYAOV-HSZRJFAPSA-N 1 1 448.542 4.164 50 0 IIAAMO CCN(C(=O)Nc1cc(Cl)ccc1N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095942388 569375595 /nfs/dbraw/zinc/37/55/95/569375595.db2.gz PARVRVPTSHBABC-OAQYLSRUSA-N 1 1 442.991 4.305 50 0 IIAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000057303822 569430655 /nfs/dbraw/zinc/43/06/55/569430655.db2.gz VIQXUYFSDSXGQI-SANMLTNESA-N 1 1 429.520 4.140 50 0 IIAAMO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Br)CCC2 ZINC000057315210 569430754 /nfs/dbraw/zinc/43/07/54/569430754.db2.gz GBPCYMUXKUZRLV-NSHDSACASA-N 1 1 437.359 4.075 50 0 IIAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cccn3C)C[C@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000230144575 569439457 /nfs/dbraw/zinc/43/94/57/569439457.db2.gz IFCGKIDDASYPJS-NAKRPHOHSA-N 1 1 428.624 4.371 50 0 IIAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030030096 569440517 /nfs/dbraw/zinc/44/05/17/569440517.db2.gz WQDWZOWHISXAHB-ZUSJUXBOSA-N 1 1 428.580 4.385 50 0 IIAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030030096 569440518 /nfs/dbraw/zinc/44/05/18/569440518.db2.gz WQDWZOWHISXAHB-ZUSJUXBOSA-N 1 1 428.580 4.385 50 0 IIAAMO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000504735762 569449595 /nfs/dbraw/zinc/44/95/95/569449595.db2.gz OIPMLQRSGHHVDU-OUIFVKKZSA-N 1 1 436.552 4.339 50 0 biogenic IIAAMO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000504735762 569449596 /nfs/dbraw/zinc/44/95/96/569449596.db2.gz OIPMLQRSGHHVDU-OUIFVKKZSA-N 1 1 436.552 4.339 50 0 biogenic IIAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccnc2)N2CC[NH+](C)CC2)c1C ZINC000038546744 569463642 /nfs/dbraw/zinc/46/36/42/569463642.db2.gz ZIHKAIHSFFLWTO-HXUWFJFHSA-N 1 1 426.611 4.411 50 0 IIAAMO CCc1ccc2oc(C(=O)NC[C@H](c3cccn3-c3ccc(C)cc3)[NH+](C)C)cc(=O)c2c1 ZINC000008717991 569471209 /nfs/dbraw/zinc/47/12/09/569471209.db2.gz LKKBSHUAVFVWBL-HSZRJFAPSA-N 1 1 443.547 4.487 50 0 IIAAMO CCN(Cc1ccc2c(c1)OCO2)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008727693 569472337 /nfs/dbraw/zinc/47/23/37/569472337.db2.gz XAXMQRQCOXLEMQ-GOSISDBHSA-N 1 1 437.565 4.253 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000040119461 569489332 /nfs/dbraw/zinc/48/93/32/569489332.db2.gz YFWFUCZLDOQPMZ-LJQANCHMSA-N 1 1 441.597 4.098 50 0 IIAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1cccc(OC)c1 ZINC000245328311 569503865 /nfs/dbraw/zinc/50/38/65/569503865.db2.gz MWXVFKPXFQXFIP-REWPJTCUSA-N 1 1 430.614 4.103 50 0 IIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3cccn3C)cc2)cc1 ZINC000009439447 569535106 /nfs/dbraw/zinc/53/51/06/569535106.db2.gz NNZHRMSXCSLKBL-HSZRJFAPSA-N 1 1 432.524 4.062 50 0 IIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3cccn3C)cc2)cc1 ZINC000009439447 569535107 /nfs/dbraw/zinc/53/51/07/569535107.db2.gz NNZHRMSXCSLKBL-HSZRJFAPSA-N 1 1 432.524 4.062 50 0 IIAAMO C[C@@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccc2c(c1)OCCO2 ZINC000009766752 569566883 /nfs/dbraw/zinc/56/68/83/569566883.db2.gz ZMHGNCFZUZXMAZ-MRXNPFEDSA-N 1 1 437.565 4.124 50 0 IIAAMO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[N@@H+](Cc1ccco1)C1CCCC1)CO2 ZINC000009777074 569567113 /nfs/dbraw/zinc/56/71/13/569567113.db2.gz AXDZJCZELCQVIM-UHFFFAOYSA-N 1 1 448.567 4.295 50 0 IIAAMO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C1CCCCCC1 ZINC000009885501 569572877 /nfs/dbraw/zinc/57/28/77/569572877.db2.gz OBSCOZYZQVOAIK-UHFFFAOYSA-N 1 1 442.025 4.108 50 0 IIAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)nn2)CC1 ZINC000010186654 132243340 /nfs/dbraw/zinc/24/33/40/132243340.db2.gz KPAFXUGGERAOFX-UHFFFAOYSA-N 1 1 441.457 4.167 50 0 IIAAMO Cc1cc(C)c(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000011664970 132338397 /nfs/dbraw/zinc/33/83/97/132338397.db2.gz OYIOYVUGXDBQKP-HXUWFJFHSA-N 1 1 435.490 4.342 50 0 IIAAMO CC(C)(C)c1cc([C@@H](c2ccccn2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000022227943 519006273 /nfs/dbraw/zinc/00/62/73/519006273.db2.gz HADBQYRFRXZACP-QHCPKHFHSA-N 1 1 425.617 4.082 50 0 IIAAMO CC(=O)N1CCc2cc(NC(=O)C[N@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)ccc21 ZINC000012793841 519631889 /nfs/dbraw/zinc/63/18/89/519631889.db2.gz VFWQEZNFNKUQFK-RUZDIDTESA-N 1 1 425.532 4.182 50 0 IIAAMO CC(=O)N1CCc2cc(NC(=O)C[N@@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)ccc21 ZINC000012793841 519631892 /nfs/dbraw/zinc/63/18/92/519631892.db2.gz VFWQEZNFNKUQFK-RUZDIDTESA-N 1 1 425.532 4.182 50 0 IIAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000012130971 519697737 /nfs/dbraw/zinc/69/77/37/519697737.db2.gz LUTAUWIHFRRNRU-RUZDIDTESA-N 1 1 445.611 4.192 50 0 IIAAMO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012790101 519820323 /nfs/dbraw/zinc/82/03/23/519820323.db2.gz JIQLBFJVNAZTSG-PMACEKPBSA-N 1 1 436.383 4.167 50 0 IIAAMO CC(C)c1nc(CNCc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cs1 ZINC000012704799 519863949 /nfs/dbraw/zinc/86/39/49/519863949.db2.gz CKVWESMYPLAJIR-QHCPKHFHSA-N 1 1 439.625 4.428 50 0 IIAAMO CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000012757152 520457205 /nfs/dbraw/zinc/45/72/05/520457205.db2.gz BDKZTZNCZILFNN-QHCPKHFHSA-N 1 1 428.617 4.302 50 0 IIAAMO CCOc1ccc(C[N@@H+](CC)C[C@@H]2CCCN(CCc3cccc(F)c3)C2)cc1CO ZINC000012386212 520965987 /nfs/dbraw/zinc/96/59/87/520965987.db2.gz BIHWMLFAVTXFRB-QHCPKHFHSA-N 1 1 428.592 4.493 50 0 IIAAMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796513 521124373 /nfs/dbraw/zinc/12/43/73/521124373.db2.gz GRNFCVFYZATOGS-UHFFFAOYSA-N 1 1 429.499 4.285 50 0 IIAAMO CCN(Cc1ccncc1)Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000012304954 521421693 /nfs/dbraw/zinc/42/16/93/521421693.db2.gz HKJKJKATYKJHTO-XMMPIXPASA-N 1 1 441.616 4.117 50 0 IIAAMO CCN(Cc1ccncc1)Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012304954 521421705 /nfs/dbraw/zinc/42/17/05/521421705.db2.gz HKJKJKATYKJHTO-XMMPIXPASA-N 1 1 441.616 4.117 50 0 IIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)nc4onc(C)c43)sc2C1 ZINC000021296606 521725320 /nfs/dbraw/zinc/72/53/20/521725320.db2.gz SEMDHVGAWAEERI-UHFFFAOYSA-N 1 1 425.539 4.347 50 0 IIAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)nc4onc(C)c43)sc2C1 ZINC000021296606 521725322 /nfs/dbraw/zinc/72/53/22/521725322.db2.gz SEMDHVGAWAEERI-UHFFFAOYSA-N 1 1 425.539 4.347 50 0 IIAAMO COc1cc(Cl)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)cc1OC ZINC000012582583 522521002 /nfs/dbraw/zinc/52/10/02/522521002.db2.gz ZGUMIQVDDKJTDA-JOCHJYFZSA-N 1 1 425.903 4.453 50 0 IIAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)cc1OC ZINC000012582583 522521009 /nfs/dbraw/zinc/52/10/09/522521009.db2.gz ZGUMIQVDDKJTDA-JOCHJYFZSA-N 1 1 425.903 4.453 50 0 IIAAMO C[N@H+](Cc1cc2ccc(Cl)cc2n(Cc2ccccn2)c1=O)C[C@H](O)c1ccccc1 ZINC000020600849 523185147 /nfs/dbraw/zinc/18/51/47/523185147.db2.gz NCOIHVQXDDVYOU-DEOSSOPVSA-N 1 1 433.939 4.264 50 0 IIAAMO CN(Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012711223 523263045 /nfs/dbraw/zinc/26/30/45/523263045.db2.gz AFOCWXLWQZGHIC-JOCHJYFZSA-N 1 1 441.019 4.256 50 0 IIAAMO CN(Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012711223 523263054 /nfs/dbraw/zinc/26/30/54/523263054.db2.gz AFOCWXLWQZGHIC-JOCHJYFZSA-N 1 1 441.019 4.256 50 0 IIAAMO CCn1ccnc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000012447270 523532470 /nfs/dbraw/zinc/53/24/70/523532470.db2.gz XTTIFTZUJWRKCD-LJQANCHMSA-N 1 1 428.540 4.297 50 0 IIAAMO CCn1ccnc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000012447270 523532474 /nfs/dbraw/zinc/53/24/74/523532474.db2.gz XTTIFTZUJWRKCD-LJQANCHMSA-N 1 1 428.540 4.297 50 0 IIAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000020906335 523640347 /nfs/dbraw/zinc/64/03/47/523640347.db2.gz RVZLDVHIPVOFGG-QFIPXVFZSA-N 1 1 449.565 4.325 50 0 IIAAMO CCn1nc(C)c(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000020906335 523640360 /nfs/dbraw/zinc/64/03/60/523640360.db2.gz RVZLDVHIPVOFGG-QFIPXVFZSA-N 1 1 449.565 4.325 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c(F)c1 ZINC000012705196 524027807 /nfs/dbraw/zinc/02/78/07/524027807.db2.gz URAFGUMTUXLYAU-SFHVURJKSA-N 1 1 444.547 4.160 50 0 IIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)C1 ZINC000021915662 524088576 /nfs/dbraw/zinc/08/85/76/524088576.db2.gz FXOXCYQSHFZVEL-IBGZPJMESA-N 1 1 434.540 4.021 50 0 IIAAMO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)CC2)cc1 ZINC000023095844 524458773 /nfs/dbraw/zinc/45/87/73/524458773.db2.gz MRCOKZPVSOOZNJ-UHFFFAOYSA-N 1 1 434.609 4.492 50 0 IIAAMO COc1ccc(OCC[N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000012687292 524951314 /nfs/dbraw/zinc/95/13/14/524951314.db2.gz RXUMTOCJZMWAPH-UHFFFAOYSA-N 1 1 436.556 4.128 50 0 IIAAMO COc1ccc(OCC[N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000012687292 524951326 /nfs/dbraw/zinc/95/13/26/524951326.db2.gz RXUMTOCJZMWAPH-UHFFFAOYSA-N 1 1 436.556 4.128 50 0 IIAAMO C[C@@H](NC(=S)Nc1cccc(Br)c1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031417 525386080 /nfs/dbraw/zinc/38/60/80/525386080.db2.gz SVUPCISOJZVYMW-OXQOHEQNSA-N 1 1 447.446 4.113 50 0 IIAAMO COc1ccc([C@H]2CCCCCN2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012922634 525408902 /nfs/dbraw/zinc/40/89/02/525408902.db2.gz CUDOVPVEVJMCET-AREMUKBSSA-N 1 1 435.612 4.393 50 0 IIAAMO COc1cccc(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1OC ZINC000012217449 525942534 /nfs/dbraw/zinc/94/25/34/525942534.db2.gz OYZIODDAVVDYRU-IBGZPJMESA-N 1 1 442.629 4.061 50 0 IIAAMO COc1cccc(N2CCC([N@H+]3CCC[C@@H](N4CCN(c5ccccc5C)CC4)C3)CC2)c1 ZINC000020539347 526142585 /nfs/dbraw/zinc/14/25/85/526142585.db2.gz OCGVDWPACUPGGL-AREMUKBSSA-N 1 1 448.655 4.259 50 0 IIAAMO Cc1coc2cc3oc(=O)c(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)c(C)c3cc12 ZINC000020648774 526291596 /nfs/dbraw/zinc/29/15/96/526291596.db2.gz VXYMYKBFLYATLD-UHFFFAOYSA-N 1 1 444.531 4.433 50 0 IIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012432393 526569853 /nfs/dbraw/zinc/56/98/53/526569853.db2.gz GXVPDWJKFZMJJU-JOCHJYFZSA-N 1 1 441.566 4.301 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Br)cc1 ZINC000012786505 526754346 /nfs/dbraw/zinc/75/43/46/526754346.db2.gz MMTVSRITCXHBJU-GOSISDBHSA-N 1 1 431.330 4.386 50 0 IIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Br)cc1 ZINC000012786505 526754351 /nfs/dbraw/zinc/75/43/51/526754351.db2.gz MMTVSRITCXHBJU-GOSISDBHSA-N 1 1 431.330 4.386 50 0 IIAAMO O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000035871209 527596635 /nfs/dbraw/zinc/59/66/35/527596635.db2.gz VWOUUVXVJDQPNA-GMAHTHKFSA-N 1 1 443.513 4.095 50 0 IIAAMO O[C@@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000035590809 527656109 /nfs/dbraw/zinc/65/61/09/527656109.db2.gz RUYULBHHSOTMCZ-XMMPIXPASA-N 1 1 434.555 4.157 50 0 IIAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020907224 527685562 /nfs/dbraw/zinc/68/55/62/527685562.db2.gz CPMNBWAOYAQANL-FQEVSTJZSA-N 1 1 445.489 4.028 50 0 IIAAMO FC(F)(F)c1cccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020907224 527685564 /nfs/dbraw/zinc/68/55/64/527685564.db2.gz CPMNBWAOYAQANL-FQEVSTJZSA-N 1 1 445.489 4.028 50 0 IIAAMO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c(OC)c1 ZINC000009585707 555591797 /nfs/dbraw/zinc/59/17/97/555591797.db2.gz ZYMYUMITYWHVDK-QWNKOJSDSA-N 1 1 437.483 4.210 50 0 IIAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)nc1)c1ccc(F)cc1 ZINC000034681667 555815017 /nfs/dbraw/zinc/81/50/17/555815017.db2.gz BNZLKBHZAGOARO-UHFFFAOYSA-N 1 1 440.469 4.464 50 0 IIAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)nc1)c1ccc(F)cc1 ZINC000034681667 555815018 /nfs/dbraw/zinc/81/50/18/555815018.db2.gz BNZLKBHZAGOARO-UHFFFAOYSA-N 1 1 440.469 4.464 50 0 IIAAMO CCc1ccc2nc(N3CCC(C(=O)NCC[N@@H+](C)Cc4ccccc4)CC3)sc2c1 ZINC000004757401 556009764 /nfs/dbraw/zinc/00/97/64/556009764.db2.gz KMFYXRULBYVKFQ-UHFFFAOYSA-N 1 1 436.625 4.323 50 0 IIAAMO COc1ccccc1C(=O)N[C@H](C)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097546834 556247507 /nfs/dbraw/zinc/24/75/07/556247507.db2.gz NFSDPKKDKLLNMX-CJFMBICVSA-N 1 1 449.620 4.434 50 0 IIAAMO Cc1oc2cc3oc(=O)c(CC(=O)N4CC[NH+](C)CC4)c(C)c3cc2c1-c1ccccc1 ZINC000013719292 556288630 /nfs/dbraw/zinc/28/86/30/556288630.db2.gz WYYHLSZNDJBACD-UHFFFAOYSA-N 1 1 430.504 4.140 50 0 IIAAMO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009418909 556289178 /nfs/dbraw/zinc/28/91/78/556289178.db2.gz NTSXTJZIJLFBGY-AUSIDOKSSA-N 1 1 441.487 4.163 50 0 IIAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000011782206 556351011 /nfs/dbraw/zinc/35/10/11/556351011.db2.gz OZMMAFGQGISWLS-NRFANRHFSA-N 1 1 445.611 4.270 50 0 IIAAMO Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000011814448 556357630 /nfs/dbraw/zinc/35/76/30/556357630.db2.gz YIHVIMNWQXNXHE-GOSISDBHSA-N 1 1 445.592 4.351 50 0 IIAAMO COc1cc(CN(C)Cc2ccc(C)o2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011815490 556358471 /nfs/dbraw/zinc/35/84/71/556358471.db2.gz WBJVIXGNFBZJQY-JOCHJYFZSA-N 1 1 430.589 4.233 50 0 IIAAMO COc1cc(CN(C)Cc2ccc(C)o2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011815490 556358472 /nfs/dbraw/zinc/35/84/72/556358472.db2.gz WBJVIXGNFBZJQY-JOCHJYFZSA-N 1 1 430.589 4.233 50 0 IIAAMO COc1ccc(-c2n[nH]cc2CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000011819703 556361585 /nfs/dbraw/zinc/36/15/85/556361585.db2.gz LELLUXQOOMUSBO-NRFANRHFSA-N 1 1 448.611 4.480 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccccc3OC)C2)c(OC)c1 ZINC000011841947 556365457 /nfs/dbraw/zinc/36/54/57/556365457.db2.gz UGLQHBPBGUJBJY-LJQANCHMSA-N 1 1 426.557 4.021 50 0 IIAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC000014129556 556374582 /nfs/dbraw/zinc/37/45/82/556374582.db2.gz VHYIBWMYDXSFCN-LJQANCHMSA-N 1 1 447.608 4.142 50 0 IIAAMO CCCC[N@@H+](C)[C@@H]1CCc2c(sc3ncn(CCc4cccc(OC)c4)c(=O)c32)C1 ZINC000011909380 556374666 /nfs/dbraw/zinc/37/46/66/556374666.db2.gz RHGGYSAGVZFSHB-GOSISDBHSA-N 1 1 425.598 4.299 50 0 IIAAMO CC(C)c1nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)cs1 ZINC000011933211 556376888 /nfs/dbraw/zinc/37/68/88/556376888.db2.gz XKROPQPGNHRUAY-IBGZPJMESA-N 1 1 446.636 4.322 50 0 IIAAMO O=c1c(C[NH2+]CCC2=CCCCC2)cc2cc3c(cc2n1CCN1CCCCC1)OCO3 ZINC000012035606 556389869 /nfs/dbraw/zinc/38/98/69/556389869.db2.gz GHQLCBNXLFFYCY-UHFFFAOYSA-N 1 1 437.584 4.196 50 0 IIAAMO CC(=O)Nc1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c1 ZINC000012056846 556394479 /nfs/dbraw/zinc/39/44/79/556394479.db2.gz WSEHLDBPOUTHGM-HXUWFJFHSA-N 1 1 427.976 4.325 50 0 IIAAMO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc(F)c(OC)c3)CC2)c1 ZINC000012056694 556394564 /nfs/dbraw/zinc/39/45/64/556394564.db2.gz ZLKQVTQLQCWEEB-UHFFFAOYSA-N 1 1 442.531 4.122 50 0 IIAAMO COc1ccc(OC)c([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCCC2)c1 ZINC000032622339 556409701 /nfs/dbraw/zinc/40/97/01/556409701.db2.gz NHDPELADEWYSBP-QFIPXVFZSA-N 1 1 435.524 4.316 50 0 IIAAMO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@@H]1CCCc2ccccc21 ZINC000027906666 556434880 /nfs/dbraw/zinc/43/48/80/556434880.db2.gz FCODSWXMOYDNTN-QUCCMNQESA-N 1 1 431.458 4.302 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCC2)cc1 ZINC000028288912 556448562 /nfs/dbraw/zinc/44/85/62/556448562.db2.gz QZOYAKDPBMKJTO-FQEVSTJZSA-N 1 1 440.927 4.330 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCC2)cc1 ZINC000028288909 556448595 /nfs/dbraw/zinc/44/85/95/556448595.db2.gz QZOYAKDPBMKJTO-HXUWFJFHSA-N 1 1 440.927 4.330 50 0 IIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)CC1 ZINC000014954317 556461566 /nfs/dbraw/zinc/46/15/66/556461566.db2.gz FNTBBUVXBBQAOG-IBGZPJMESA-N 1 1 425.529 4.218 50 0 IIAAMO CCOCc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000014973748 556467809 /nfs/dbraw/zinc/46/78/09/556467809.db2.gz PUQOKVBXGZGCGM-FQEVSTJZSA-N 1 1 427.541 4.344 50 0 IIAAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000014990683 556474765 /nfs/dbraw/zinc/47/47/65/556474765.db2.gz OIZGZMLFUMZUPX-IBGZPJMESA-N 1 1 441.963 4.100 50 0 IIAAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000014990683 556474767 /nfs/dbraw/zinc/47/47/67/556474767.db2.gz OIZGZMLFUMZUPX-IBGZPJMESA-N 1 1 441.963 4.100 50 0 IIAAMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sc2ncnc(NCc3ccco3)c12 ZINC000014996665 556478311 /nfs/dbraw/zinc/47/83/11/556478311.db2.gz BOCGEDRTGDZFAN-GOSISDBHSA-N 1 1 447.564 4.209 50 0 IIAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000015063925 556491474 /nfs/dbraw/zinc/49/14/74/556491474.db2.gz SVXUGRVKNPHTIT-UHFFFAOYSA-N 1 1 446.505 4.238 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000013164339 556496481 /nfs/dbraw/zinc/49/64/81/556496481.db2.gz TVRHDGJFGLIZJS-DEOSSOPVSA-N 1 1 433.577 4.304 50 0 IIAAMO COc1ccc(OC)c(NC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c1 ZINC000015073110 556497442 /nfs/dbraw/zinc/49/74/42/556497442.db2.gz BZQOQRRKNJXPSI-LJQANCHMSA-N 1 1 441.572 4.131 50 0 IIAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1 ZINC000015073976 556498112 /nfs/dbraw/zinc/49/81/12/556498112.db2.gz CACMNYQTPBFWHO-UHFFFAOYSA-N 1 1 429.977 4.356 50 0 IIAAMO O=C(CSc1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000015079189 556500256 /nfs/dbraw/zinc/50/02/56/556500256.db2.gz MAZWLFSIUZPILV-OAQYLSRUSA-N 1 1 430.017 4.245 50 0 IIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969236 556569707 /nfs/dbraw/zinc/56/97/07/556569707.db2.gz BKGNLSHFTSZWQC-CTUHWIOQSA-N 1 1 444.959 4.361 50 0 IIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969236 556569709 /nfs/dbraw/zinc/56/97/09/556569709.db2.gz BKGNLSHFTSZWQC-CTUHWIOQSA-N 1 1 444.959 4.361 50 0 IIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1C ZINC000016001238 556572637 /nfs/dbraw/zinc/57/26/37/556572637.db2.gz FYLCRYPUYAAHSU-AFXVXQJMSA-N 1 1 428.532 4.434 50 0 IIAAMO Cc1cccc(-c2noc(C[NH+]3CCC4(C[C@@H]4c4nc(-c5cccnc5)no4)CC3)n2)c1 ZINC000071890634 556608468 /nfs/dbraw/zinc/60/84/68/556608468.db2.gz RQLJUFZWXWLJEI-LJQANCHMSA-N 1 1 428.496 4.260 50 0 IIAAMO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCCC[N@@H+]2C)C3)s1 ZINC000039447083 556628667 /nfs/dbraw/zinc/62/86/67/556628667.db2.gz SIYDXNJPITUCCD-MJGOQNOKSA-N 1 1 430.545 4.051 50 0 IIAAMO COc1cc([C@@H]2c3cc4c(cc3O[C@](C)([NH+]3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000017142017 556669655 /nfs/dbraw/zinc/66/96/55/556669655.db2.gz SMDGYUXIZWCCHF-ZFNHMYRTSA-N 1 1 441.524 4.414 50 0 IIAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccn3C)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000248157305 556669819 /nfs/dbraw/zinc/66/98/19/556669819.db2.gz WATQNWWNWFVCAS-HOFKKMOUSA-N 1 1 449.570 4.437 50 0 IIAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000011910321 556670060 /nfs/dbraw/zinc/67/00/60/556670060.db2.gz JAKSYSAYUARDAT-HXUWFJFHSA-N 1 1 426.630 4.443 50 0 IIAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)cc1 ZINC000013609329 556702570 /nfs/dbraw/zinc/70/25/70/556702570.db2.gz DZIPXANSGQRFCA-CALCHBBNSA-N 1 1 437.540 4.254 50 0 IIAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)cc1 ZINC000013609329 556702574 /nfs/dbraw/zinc/70/25/74/556702574.db2.gz DZIPXANSGQRFCA-CALCHBBNSA-N 1 1 437.540 4.254 50 0 IIAAMO Cc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000054360509 556730473 /nfs/dbraw/zinc/73/04/73/556730473.db2.gz APNRYKWFRXKNKR-UHFFFAOYSA-N 1 1 432.959 4.159 50 0 IIAAMO O=C(c1nc2sccn2c1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1)N1CCCCC1 ZINC000055152970 556736335 /nfs/dbraw/zinc/73/63/35/556736335.db2.gz DOAKDXDAZRZUGQ-FQEVSTJZSA-N 1 1 438.597 4.203 50 0 IIAAMO O=C(c1nc2sccn2c1C[N@H+]1CCC[C@H](OCc2ccccc2)C1)N1CCCCC1 ZINC000055152970 556736338 /nfs/dbraw/zinc/73/63/38/556736338.db2.gz DOAKDXDAZRZUGQ-FQEVSTJZSA-N 1 1 438.597 4.203 50 0 IIAAMO COc1ccc([C@H]2[C@H](COC(=O)c3cc(N4CCOC4=O)ccc3F)CCC[N@H+]2C)cc1 ZINC000078989005 556736500 /nfs/dbraw/zinc/73/65/00/556736500.db2.gz WNDXHJZUXMJBKW-JTSKRJEESA-N 1 1 442.487 4.031 50 0 IIAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000061880467 556762510 /nfs/dbraw/zinc/76/25/10/556762510.db2.gz CJQCYIZNMDUATF-GOSISDBHSA-N 1 1 436.987 4.225 50 0 IIAAMO COc1ccccc1N1CC[NH+](C[C@@H](C)N(C(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000059606983 556803083 /nfs/dbraw/zinc/80/30/83/556803083.db2.gz MDUDKPOIYPKKNF-OAQYLSRUSA-N 1 1 436.600 4.214 50 0 IIAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)Cc3noc4ccccc34)cc2)[nH+]1 ZINC000065361839 556834089 /nfs/dbraw/zinc/83/40/89/556834089.db2.gz TXLDJYDFKFAMBU-UHFFFAOYSA-N 1 1 428.496 4.451 50 0 IIAAMO Cc1nc(Nc2ccc(NC(=O)Cc3noc4ccccc34)cc2)cc(N2CCCC2)[nH+]1 ZINC000065361839 556834090 /nfs/dbraw/zinc/83/40/90/556834090.db2.gz TXLDJYDFKFAMBU-UHFFFAOYSA-N 1 1 428.496 4.451 50 0 IIAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000023043118 556986169 /nfs/dbraw/zinc/98/61/69/556986169.db2.gz UASOPPNIWXUMQZ-UHFFFAOYSA-N 1 1 435.568 4.265 50 0 IIAAMO COc1cccc(Nc2nn(CN3CC[NH+](Cc4ccsc4)CC3)c(=S)s2)c1 ZINC000022921846 557047834 /nfs/dbraw/zinc/04/78/34/557047834.db2.gz GLYFUUYPSSJPTI-UHFFFAOYSA-N 1 1 433.628 4.263 50 0 IIAAMO COc1cccc(CNc2nc(C)c(-c3ccn(C[C@H]4CCC[N@@H+](C)C4)n3)s2)c1OC ZINC000014960806 557223741 /nfs/dbraw/zinc/22/37/41/557223741.db2.gz UTARLJHBZFAOSV-KRWDZBQOSA-N 1 1 441.601 4.286 50 0 IIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000604404061 557246656 /nfs/dbraw/zinc/24/66/56/557246656.db2.gz ASYVPXIMHJUKTJ-QPTUXGOLSA-N 1 1 431.621 4.315 50 0 biogenic IIAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3ccc(C(=O)NCC(F)(F)F)cc3)c2cc1C ZINC000027297357 557259778 /nfs/dbraw/zinc/25/97/78/557259778.db2.gz PKEBVTNCLUIXGO-UHFFFAOYSA-N 1 1 432.442 4.334 50 0 IIAAMO Cc1nc(-c2cc(S(=O)(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c(C)s2)sc1C ZINC000033290112 557332671 /nfs/dbraw/zinc/33/26/71/557332671.db2.gz HOPNLRRLUUFKNV-ZDUSSCGKSA-N 1 1 427.661 4.197 50 0 IIAAMO CC(=O)c1cc2c(cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)OCO2 ZINC000024838125 557334081 /nfs/dbraw/zinc/33/40/81/557334081.db2.gz QRGLZGIURZYNBP-QFIPXVFZSA-N 1 1 426.469 4.136 50 0 IIAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051945 557416934 /nfs/dbraw/zinc/41/69/34/557416934.db2.gz DMEOFHCLLZQYJN-UUOWRZLLSA-N 1 1 425.573 4.208 50 0 IIAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051945 557416937 /nfs/dbraw/zinc/41/69/37/557416937.db2.gz DMEOFHCLLZQYJN-UUOWRZLLSA-N 1 1 425.573 4.208 50 0 IIAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000103333551 557434003 /nfs/dbraw/zinc/43/40/03/557434003.db2.gz RYGOEUQVJYQQQX-ZCYQVOJMSA-N 1 1 426.516 4.145 50 0 IIAAMO O=C(NCc1cccc(F)c1)[C@H]1Cc2ccccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104916219 557464853 /nfs/dbraw/zinc/46/48/53/557464853.db2.gz ZMINZEFTLSFHMP-AHKZPQOWSA-N 1 1 443.566 4.048 50 0 IIAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000106924610 557533691 /nfs/dbraw/zinc/53/36/91/557533691.db2.gz NXYNKVNHFOSILY-LEWJYISDSA-N 1 1 434.584 4.439 50 0 IIAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000106924610 557533695 /nfs/dbraw/zinc/53/36/95/557533695.db2.gz NXYNKVNHFOSILY-LEWJYISDSA-N 1 1 434.584 4.439 50 0 IIAAMO CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)C[NH+](CC)CC)cc21 ZINC000000869977 562919471 /nfs/dbraw/zinc/91/94/71/562919471.db2.gz OCENEPXQFHBLMK-UHFFFAOYSA-N 1 1 436.600 4.072 50 0 IIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000004295034 562943023 /nfs/dbraw/zinc/94/30/23/562943023.db2.gz CNEAOBOAPPBZSD-XZZVZQAVSA-N 1 1 438.568 4.324 50 0 IIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000004295034 562943024 /nfs/dbraw/zinc/94/30/24/562943024.db2.gz CNEAOBOAPPBZSD-XZZVZQAVSA-N 1 1 438.568 4.324 50 0 IIAAMO OCC[C@@H]1CN(Cc2cnc(-c3cccc4ccccc43)nc2)CC[N@H+]1C1CCCCC1 ZINC000019790228 563022967 /nfs/dbraw/zinc/02/29/67/563022967.db2.gz LDTYNCRAEFZYDJ-XMMPIXPASA-N 1 1 430.596 4.498 50 0 IIAAMO C[C@H](NC(=O)c1cccs1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085997929 563180004 /nfs/dbraw/zinc/18/00/04/563180004.db2.gz RAGAQGITTWHNKI-PGRDOPGGSA-N 1 1 425.623 4.487 50 0 IIAAMO O[C@@H](COc1ccccc1CNC1(c2ccccc2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012301217 568612943 /nfs/dbraw/zinc/61/29/43/568612943.db2.gz NECGDKSXTQVGPH-AREMUKBSSA-N 1 1 428.576 4.264 50 0 IIAAMO O[C@@H](COc1ccccc1CNC1(c2ccccc2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000012301217 568612945 /nfs/dbraw/zinc/61/29/45/568612945.db2.gz NECGDKSXTQVGPH-AREMUKBSSA-N 1 1 428.576 4.264 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984453 568623256 /nfs/dbraw/zinc/62/32/56/568623256.db2.gz DIPUUSKYDCVKJV-WOJBJXKFSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985174 568623461 /nfs/dbraw/zinc/62/34/61/568623461.db2.gz ZQMAYWBZQOTNKG-FGZHOGPDSA-N 1 1 432.511 4.136 50 0 IIAAMO CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)c1=O ZINC000033298565 568626238 /nfs/dbraw/zinc/62/62/38/568626238.db2.gz XYOMMHIDJVVJTG-HXUWFJFHSA-N 1 1 446.595 4.324 50 0 IIAAMO C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)CN(C(=O)[C@H]1CC13CCCC3)CCO2 ZINC000299779983 568756985 /nfs/dbraw/zinc/75/69/85/568756985.db2.gz LQCHAJRJNHLCBE-JOCHJYFZSA-N 1 1 434.584 4.220 50 0 IIAAMO C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)CN(C(=O)[C@H]1CC13CCCC3)CCO2 ZINC000299779983 568756986 /nfs/dbraw/zinc/75/69/86/568756986.db2.gz LQCHAJRJNHLCBE-JOCHJYFZSA-N 1 1 434.584 4.220 50 0 IIAAMO Cc1nn(C)c(C)c1[C@H](C)[N@@H+](C)Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O ZINC000299778568 568757002 /nfs/dbraw/zinc/75/70/02/568757002.db2.gz QNBFCKGEDVOHHG-KRWDZBQOSA-N 1 1 433.531 4.127 50 0 IIAAMO CCc1ccccc1NC(=O)CN(C)CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000083827755 568782619 /nfs/dbraw/zinc/78/26/19/568782619.db2.gz YQWXZRXHXOZJNE-HXUWFJFHSA-N 1 1 438.616 4.031 50 0 IIAAMO CCc1ccccc1NC(=O)CN(C)[C@H](C)CC[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000083827755 568782621 /nfs/dbraw/zinc/78/26/21/568782621.db2.gz YQWXZRXHXOZJNE-HXUWFJFHSA-N 1 1 438.616 4.031 50 0 IIAAMO CCc1ccccc1NC(=O)CN(C)[C@H](C)CC[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000083827755 568782622 /nfs/dbraw/zinc/78/26/22/568782622.db2.gz YQWXZRXHXOZJNE-HXUWFJFHSA-N 1 1 438.616 4.031 50 0 IIAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc3cc(OC)ccc3c2)c1 ZINC000015521244 568796494 /nfs/dbraw/zinc/79/64/94/568796494.db2.gz YMXKLJYSVFFEAL-UHFFFAOYSA-N 1 1 433.552 4.401 50 0 IIAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)c1 ZINC000015521244 568796497 /nfs/dbraw/zinc/79/64/97/568796497.db2.gz YMXKLJYSVFFEAL-UHFFFAOYSA-N 1 1 433.552 4.401 50 0 IIAAMO Cc1nc(Nc2ccccn2)cc(NCCNC(=O)C(c2ccccc2)c2ccccc2)[nH+]1 ZINC000090607919 568890656 /nfs/dbraw/zinc/89/06/56/568890656.db2.gz RYNXOXYTFWJZFA-UHFFFAOYSA-N 1 1 438.535 4.284 50 0 IIAAMO COc1ccccc1CNC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000013011207 568900078 /nfs/dbraw/zinc/90/00/78/568900078.db2.gz QXKFFKUXGRMEDV-UHFFFAOYSA-N 1 1 429.973 4.454 50 0 IIAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000245312779 568914709 /nfs/dbraw/zinc/91/47/09/568914709.db2.gz WTPLCNNGJKQFFS-BYXVTNLJSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000245312779 568914712 /nfs/dbraw/zinc/91/47/12/568914712.db2.gz WTPLCNNGJKQFFS-BYXVTNLJSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 ZINC000054220013 568927006 /nfs/dbraw/zinc/92/70/06/568927006.db2.gz REYOJBKNAKDQFQ-UHFFFAOYSA-N 1 1 442.515 4.496 50 0 IIAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)s1 ZINC000036101333 568952556 /nfs/dbraw/zinc/95/25/56/568952556.db2.gz YCSUUXRECHFICK-OAQYLSRUSA-N 1 1 425.550 4.365 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036102376 568952726 /nfs/dbraw/zinc/95/27/26/568952726.db2.gz GHKGVZMACIBCFG-QFIPXVFZSA-N 1 1 425.500 4.285 50 0 IIAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145976 568962246 /nfs/dbraw/zinc/96/22/46/568962246.db2.gz KYOBJHSFUQMOCH-RTWAWAEBSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145976 568962247 /nfs/dbraw/zinc/96/22/47/568962247.db2.gz KYOBJHSFUQMOCH-RTWAWAEBSA-N 1 1 434.939 4.260 50 0 IIAAMO CCCCc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N(C)CCC)C3CCCC3)CC2)cc1 ZINC000036250770 568984368 /nfs/dbraw/zinc/98/43/68/568984368.db2.gz FMNQHCDFMKLIDZ-DEOSSOPVSA-N 1 1 427.633 4.214 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000169677714 568989638 /nfs/dbraw/zinc/98/96/38/568989638.db2.gz FJISBFYCMXUTRT-AHWVRZQESA-N 1 1 430.548 4.294 50 0 IIAAMO COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCCC2)c(OC)c1 ZINC000036344458 569080170 /nfs/dbraw/zinc/08/01/70/569080170.db2.gz GILQORRAHPXUDB-DEOSSOPVSA-N 1 1 435.568 4.484 50 0 IIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345780 569080781 /nfs/dbraw/zinc/08/07/81/569080781.db2.gz WEBFYYXFWJJPKM-XMMPIXPASA-N 1 1 435.568 4.484 50 0 IIAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346311 569081093 /nfs/dbraw/zinc/08/10/93/569081093.db2.gz QEBJXROQZVOATB-OAQYLSRUSA-N 1 1 427.520 4.330 50 0 IIAAMO O=C(c1cccc(-c2cnc(N3CCCCC3)nc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000065025732 569090753 /nfs/dbraw/zinc/09/07/53/569090753.db2.gz UIIYVRJISDFIMH-UHFFFAOYSA-N 1 1 441.579 4.092 50 0 IIAAMO CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000065060254 569095872 /nfs/dbraw/zinc/09/58/72/569095872.db2.gz UYYHLQYABGTNGT-UHFFFAOYSA-N 1 1 449.642 4.156 50 0 IIAAMO COc1ccc(-c2nc(-c3ccc(C(=O)NCC[N@@H+](C)Cc4ccccc4)s3)no2)cc1 ZINC000065062896 569097655 /nfs/dbraw/zinc/09/76/55/569097655.db2.gz GCBPMEASFUYGKH-UHFFFAOYSA-N 1 1 448.548 4.336 50 0 IIAAMO C[NH+]1CCN([C@H](c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c2ccccc2)CC1 ZINC000170615955 569146741 /nfs/dbraw/zinc/14/67/41/569146741.db2.gz FCYXATCPXJCUSV-QHCPKHFHSA-N 1 1 445.498 4.400 50 0 IIAAMO O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016848954 569164332 /nfs/dbraw/zinc/16/43/32/569164332.db2.gz HNERHAMMHCCAQJ-UHFFFAOYSA-N 1 1 449.580 4.064 50 0 IIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000017052508 569172021 /nfs/dbraw/zinc/17/20/21/569172021.db2.gz MDQRBTHWMJJJMK-UHFFFAOYSA-N 1 1 431.540 4.116 50 0 IIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1)Nc1cccc(F)c1 ZINC000252517207 569189332 /nfs/dbraw/zinc/18/93/32/569189332.db2.gz BYCCIOMJJFAVHW-HYBUGGRVSA-N 1 1 441.547 4.417 50 0 IIAAMO COc1cc(C(=O)OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(Cl)c1OC(C)C ZINC000013063088 569308671 /nfs/dbraw/zinc/30/86/71/569308671.db2.gz ZUUYPWFPLWADFG-IBGZPJMESA-N 1 1 433.932 4.194 50 0 IIAAMO COc1cc(C(=O)OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(Cl)c1OC(C)C ZINC000013063088 569308672 /nfs/dbraw/zinc/30/86/72/569308672.db2.gz ZUUYPWFPLWADFG-IBGZPJMESA-N 1 1 433.932 4.194 50 0 IIAAMO CCOC(CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1)OCC ZINC000020240949 569357740 /nfs/dbraw/zinc/35/77/40/569357740.db2.gz LZHWWHTWPLCMNG-GOSISDBHSA-N 1 1 449.979 4.031 50 0 IIAAMO Cc1cc(C(=O)COC(=O)c2cnn(-c3cc[nH+]cc3)c2C)c(C)n1Cc1ccccc1 ZINC000095448031 569367479 /nfs/dbraw/zinc/36/74/79/569367479.db2.gz GDQRRYQUGGPVKK-UHFFFAOYSA-N 1 1 428.492 4.082 50 0 IIAAMO Cc1c(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000504253709 569443847 /nfs/dbraw/zinc/44/38/47/569443847.db2.gz DQZGUVLFYWXYJF-UZLBHIALSA-N 1 1 436.478 4.074 50 0 IIAAMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000031557947 569456756 /nfs/dbraw/zinc/45/67/56/569456756.db2.gz FJFLABPSRWKVLM-XMMPIXPASA-N 1 1 426.520 4.413 50 0 IIAAMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000031557947 569456757 /nfs/dbraw/zinc/45/67/57/569456757.db2.gz FJFLABPSRWKVLM-XMMPIXPASA-N 1 1 426.520 4.413 50 0 IIAAMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC ZINC000008191818 569462404 /nfs/dbraw/zinc/46/24/04/569462404.db2.gz LVIJRNWNNFFBMV-LJQANCHMSA-N 1 1 425.573 4.462 50 0 IIAAMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC ZINC000008191818 569462405 /nfs/dbraw/zinc/46/24/05/569462405.db2.gz LVIJRNWNNFFBMV-LJQANCHMSA-N 1 1 425.573 4.462 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](c3nncn3C)C2)c(F)c1 ZINC000067833840 569472445 /nfs/dbraw/zinc/47/24/45/569472445.db2.gz KBGYUKYIDNUKJG-GOSISDBHSA-N 1 1 446.530 4.195 50 0 IIAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000040089938 569487397 /nfs/dbraw/zinc/48/73/97/569487397.db2.gz KCFNPYLGMXWEQZ-OAQYLSRUSA-N 1 1 426.605 4.317 50 0 IIAAMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000040155677 569493948 /nfs/dbraw/zinc/49/39/48/569493948.db2.gz SXHGQJVXVSTOGE-HNNXBMFYSA-N 1 1 430.474 4.396 50 0 IIAAMO CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[N@H+]1CCCC[C@H]1CC ZINC000245287239 569502265 /nfs/dbraw/zinc/50/22/65/569502265.db2.gz BQFCIGRRUIVPIV-RTBURBONSA-N 1 1 444.645 4.058 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000009204247 569511292 /nfs/dbraw/zinc/51/12/92/569511292.db2.gz OBBYUEOUNGMYIV-UHFFFAOYSA-N 1 1 434.584 4.356 50 0 IIAAMO C[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccc(C(F)(F)F)cc1 ZINC000009219366 569512476 /nfs/dbraw/zinc/51/24/76/569512476.db2.gz SACZVYRFSHHHPD-UHFFFAOYSA-N 1 1 445.441 4.299 50 0 IIAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccc(C(F)(F)F)cc1 ZINC000009219366 569512477 /nfs/dbraw/zinc/51/24/77/569512477.db2.gz SACZVYRFSHHHPD-UHFFFAOYSA-N 1 1 445.441 4.299 50 0 IIAAMO COc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000009250752 569515755 /nfs/dbraw/zinc/51/57/55/569515755.db2.gz VXCFFNNPPGMQND-IBGZPJMESA-N 1 1 432.948 4.323 50 0 IIAAMO CC[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000009388951 569528591 /nfs/dbraw/zinc/52/85/91/569528591.db2.gz RCDCMDZEWWSFTQ-UHFFFAOYSA-N 1 1 437.521 4.190 50 0 IIAAMO CC[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000009388951 569528592 /nfs/dbraw/zinc/52/85/92/569528592.db2.gz RCDCMDZEWWSFTQ-UHFFFAOYSA-N 1 1 437.521 4.190 50 0 IIAAMO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009742294 569565385 /nfs/dbraw/zinc/56/53/85/569565385.db2.gz PBAVGGWTHWTTCR-OAQYLSRUSA-N 1 1 426.582 4.365 50 0 IIAAMO CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009742294 569565386 /nfs/dbraw/zinc/56/53/86/569565386.db2.gz PBAVGGWTHWTTCR-OAQYLSRUSA-N 1 1 426.582 4.365 50 0 IIAAMO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)ccc2c1 ZINC000009952932 569574616 /nfs/dbraw/zinc/57/46/16/569574616.db2.gz RLBZMEYBGOCEQO-DEOSSOPVSA-N 1 1 446.547 4.415 50 0 IIAAMO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)ccc2c1 ZINC000009952932 569574617 /nfs/dbraw/zinc/57/46/17/569574617.db2.gz RLBZMEYBGOCEQO-DEOSSOPVSA-N 1 1 446.547 4.415 50 0 IIAAMO CCc1oc2ccccc2c1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000010109397 569577946 /nfs/dbraw/zinc/57/79/46/569577946.db2.gz YDXGBWVUEGJJEL-ZDUSSCGKSA-N 1 1 425.554 4.103 50 0 IIAAMO CCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000010109397 569577947 /nfs/dbraw/zinc/57/79/47/569577947.db2.gz YDXGBWVUEGJJEL-ZDUSSCGKSA-N 1 1 425.554 4.103 50 0 IIAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)nn2)CC1 ZINC000010186598 132243191 /nfs/dbraw/zinc/24/31/91/132243191.db2.gz VBVDRKJQHNCAJD-UHFFFAOYSA-N 1 1 441.457 4.167 50 0 IIAAMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000013058967 132343743 /nfs/dbraw/zinc/34/37/43/132343743.db2.gz SDTSWTGMTZMNNV-KRWDZBQOSA-N 1 1 435.490 4.309 50 0 IIAAMO CC(=O)c1cc(C[NH+]2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)cs1 ZINC000012448984 518276566 /nfs/dbraw/zinc/27/65/66/518276566.db2.gz QMLFRIWTWYOVGW-UHFFFAOYSA-N 1 1 439.625 4.292 50 0 IIAAMO CC(C)(C)c1cc([C@H](c2cccnc2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000021486605 519006375 /nfs/dbraw/zinc/00/63/75/519006375.db2.gz BCZBEPCVKBTUCC-QHCPKHFHSA-N 1 1 425.617 4.082 50 0 IIAAMO CCCC[N@@H+](CCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)Cc1ccccc1 ZINC000020723561 520500681 /nfs/dbraw/zinc/50/06/81/520500681.db2.gz LEEZDTFSLAINIL-UHFFFAOYSA-N 1 1 446.595 4.027 50 0 IIAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560338 520508034 /nfs/dbraw/zinc/50/80/34/520508034.db2.gz KTGIGYRLXKIITI-QHCPKHFHSA-N 1 1 437.540 4.204 50 0 IIAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560338 520508044 /nfs/dbraw/zinc/50/80/44/520508044.db2.gz KTGIGYRLXKIITI-QHCPKHFHSA-N 1 1 437.540 4.204 50 0 IIAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000012712107 521180861 /nfs/dbraw/zinc/18/08/61/521180861.db2.gz XMAXCEWCYWLICK-RUZDIDTESA-N 1 1 443.540 4.024 50 0 IIAAMO CCSc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)C[C@@](C)(CC)OC3 ZINC000020442486 521786177 /nfs/dbraw/zinc/78/61/77/521786177.db2.gz AVZNBJYFHFFMRF-OAQYLSRUSA-N 1 1 436.647 4.179 50 0 IIAAMO COC(=O)c1cccc(C[N@H+](CC(=O)N2CCS[C@@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000035843579 522206712 /nfs/dbraw/zinc/20/67/12/522206712.db2.gz IIMWXAKVJLVFSN-HSZRJFAPSA-N 1 1 444.572 4.345 50 0 IIAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000035807525 522966955 /nfs/dbraw/zinc/96/69/55/522966955.db2.gz BKGNLSHFTSZWQC-YGOYIFOWSA-N 1 1 444.959 4.361 50 0 biogenic IIAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000035807525 522966960 /nfs/dbraw/zinc/96/69/60/522966960.db2.gz BKGNLSHFTSZWQC-YGOYIFOWSA-N 1 1 444.959 4.361 50 0 biogenic IIAAMO CCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697005 523142144 /nfs/dbraw/zinc/14/21/44/523142144.db2.gz PZGAPGXDKNMPJA-DEOSSOPVSA-N 1 1 437.971 4.447 50 0 IIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)C1 ZINC000020726761 524088230 /nfs/dbraw/zinc/08/82/30/524088230.db2.gz PIAJTFPSARAPJL-HLILLCKBSA-N 1 1 449.620 4.405 50 0 IIAAMO Cc1cc(C)c(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1C ZINC000012706803 524260753 /nfs/dbraw/zinc/26/07/53/524260753.db2.gz GNQCZLLNMHOYMX-XMMPIXPASA-N 1 1 434.628 4.348 50 0 IIAAMO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022908161 524415118 /nfs/dbraw/zinc/41/51/18/524415118.db2.gz MBLVHNNDAUOMCU-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022908161 524415127 /nfs/dbraw/zinc/41/51/27/524415127.db2.gz MBLVHNNDAUOMCU-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO COc1ccccc1CN(C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012714562 524435924 /nfs/dbraw/zinc/43/59/24/524435924.db2.gz RZTMKHGHLVSSQM-DEOSSOPVSA-N 1 1 426.601 4.331 50 0 IIAAMO COc1ccccc1CN(C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012714562 524435930 /nfs/dbraw/zinc/43/59/30/524435930.db2.gz RZTMKHGHLVSSQM-DEOSSOPVSA-N 1 1 426.601 4.331 50 0 IIAAMO C[C@H](CNC(=O)c1cn2ccccc2n1)Oc1cccc(C[N@@H+](C)Cc2cccs2)c1 ZINC000014986897 524474802 /nfs/dbraw/zinc/47/48/02/524474802.db2.gz FPRJZTFLPPMGID-GOSISDBHSA-N 1 1 434.565 4.225 50 0 IIAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCC([C@@H](O)c3cccs3)CC2)Cc2cc(Cl)ccc2O1 ZINC000012195513 524586352 /nfs/dbraw/zinc/58/63/52/524586352.db2.gz JVKUDGHTPWGNNV-QMHKHESXSA-N 1 1 449.016 4.347 50 0 IIAAMO COc1ccccc1[C@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)[NH+](C)C ZINC000022679205 524791248 /nfs/dbraw/zinc/79/12/48/524791248.db2.gz BLBZVSBGDQZXFX-FQEVSTJZSA-N 1 1 446.638 4.362 50 0 IIAAMO C[C@@H]1C[N@H+](CCC(=O)N[C@@H](c2ccccn2)C(F)(F)F)Cc2cc(Cl)ccc2O1 ZINC000012152533 524936436 /nfs/dbraw/zinc/93/64/36/524936436.db2.gz WTQODOYCKGEZHN-YJYMSZOUSA-N 1 1 427.854 4.128 50 0 IIAAMO C[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2ccccn2)C(F)(F)F)Cc2cc(Cl)ccc2O1 ZINC000012152533 524936443 /nfs/dbraw/zinc/93/64/43/524936443.db2.gz WTQODOYCKGEZHN-YJYMSZOUSA-N 1 1 427.854 4.128 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022908241 525004548 /nfs/dbraw/zinc/00/45/48/525004548.db2.gz UMANKSOBDSARKZ-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022908241 525004560 /nfs/dbraw/zinc/00/45/60/525004560.db2.gz UMANKSOBDSARKZ-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022908238 525007290 /nfs/dbraw/zinc/00/72/90/525007290.db2.gz UMANKSOBDSARKZ-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022908238 525007300 /nfs/dbraw/zinc/00/73/00/525007300.db2.gz UMANKSOBDSARKZ-JOCHJYFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1ccccc1NC(=O)Cc1nc(CN2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000022788885 525244356 /nfs/dbraw/zinc/24/43/56/525244356.db2.gz LCUOKCTVNYPIPO-UHFFFAOYSA-N 1 1 426.611 4.012 50 0 IIAAMO Cc1c(C(=O)NCC[C@@H]2CCC[N@@H+]2C)sc2ncnc(NCCc3ccccc3F)c12 ZINC000012456824 525615374 /nfs/dbraw/zinc/61/53/74/525615374.db2.gz BTRVJQCAJPXTRP-KRWDZBQOSA-N 1 1 441.576 4.008 50 0 IIAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1cc(COc2ccc(F)c(F)c2)on1 ZINC000012300959 526311576 /nfs/dbraw/zinc/31/15/76/526311576.db2.gz RCYRDBASDLOGJW-SFHVURJKSA-N 1 1 441.478 4.141 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012432392 526554886 /nfs/dbraw/zinc/55/48/86/526554886.db2.gz GXVPDWJKFZMJJU-QFIPXVFZSA-N 1 1 441.566 4.301 50 0 IIAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012528003 526657864 /nfs/dbraw/zinc/65/78/64/526657864.db2.gz GBLJPNCGCKMAQI-UHFFFAOYSA-N 1 1 438.531 4.059 50 0 IIAAMO O=C(c1nc2sccn2c1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CCCC1 ZINC000020776020 526920072 /nfs/dbraw/zinc/92/00/72/526920072.db2.gz NOUSONOWJGVTFI-INIZCTEOSA-N 1 1 435.553 4.153 50 0 IIAAMO O=C(COCc1nc2ccccc2s1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012569304 526942940 /nfs/dbraw/zinc/94/29/40/526942940.db2.gz GRKMJXHJNKVYOC-UHFFFAOYSA-N 1 1 431.561 4.311 50 0 IIAAMO OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1CCCc1ccccc1 ZINC000020781162 527565041 /nfs/dbraw/zinc/56/50/41/527565041.db2.gz HKDWOQIEBCPHIO-XMMPIXPASA-N 1 1 426.988 4.117 50 0 IIAAMO O[C@@H](COc1ccc(Br)cc1Br)C[N@H+]1CCc2ccccc2C1 ZINC000012420349 527660228 /nfs/dbraw/zinc/66/02/28/527660228.db2.gz UNHBJLAFWAPCIX-MRXNPFEDSA-N 1 1 441.163 4.010 50 0 IIAAMO O=C(NCCC[NH+]1CCOCC1)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000020466655 527671889 /nfs/dbraw/zinc/67/18/89/527671889.db2.gz FPAJZNBPRAWWBR-UHFFFAOYSA-N 1 1 429.973 4.425 50 0 IIAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000034668492 555792436 /nfs/dbraw/zinc/79/24/36/555792436.db2.gz UNGUSNPDPVEKFO-UHFFFAOYSA-N 1 1 429.564 4.290 50 0 IIAAMO Cc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccccc4)cn3)CC2)cc1 ZINC000034681973 555815711 /nfs/dbraw/zinc/81/57/11/555815711.db2.gz BNLDWLLIHXFWTL-UHFFFAOYSA-N 1 1 430.552 4.120 50 0 IIAAMO COc1ccccc1CCNC(=O)c1cccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c1 ZINC000034682364 555816375 /nfs/dbraw/zinc/81/63/75/555816375.db2.gz KRFDXRQRKOPDPV-UHFFFAOYSA-N 1 1 443.591 4.298 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740506 555883600 /nfs/dbraw/zinc/88/36/00/555883600.db2.gz PEYPYEUNCXYNSV-QPPBQGQZSA-N 1 1 430.564 4.382 50 0 IIAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1cccc(OC)c1 ZINC000034740341 555883621 /nfs/dbraw/zinc/88/36/21/555883621.db2.gz MWXVFKPXFQXFIP-NFBKMPQASA-N 1 1 430.614 4.103 50 0 IIAAMO CC[N@@H+]1CCc2c(c(CN(CC3CC3)C(=O)c3cccc(OC)c3)nn2-c2ccccc2)C1 ZINC000034762248 555904374 /nfs/dbraw/zinc/90/43/74/555904374.db2.gz QGZNWOFKFBMUIE-UHFFFAOYSA-N 1 1 444.579 4.311 50 0 IIAAMO CC[N@H+]1CCc2c(c(CN(CC3CC3)C(=O)c3cccc(OC)c3)nn2-c2ccccc2)C1 ZINC000034762248 555904375 /nfs/dbraw/zinc/90/43/75/555904375.db2.gz QGZNWOFKFBMUIE-UHFFFAOYSA-N 1 1 444.579 4.311 50 0 IIAAMO COc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)CC3)sc2c1 ZINC000004757447 556009710 /nfs/dbraw/zinc/00/97/10/556009710.db2.gz XZBQOQHWEYYNJA-HDICACEKSA-N 1 1 444.645 4.291 50 0 IIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@@H](C)C2)CCC3)cc1 ZINC000004845072 556014984 /nfs/dbraw/zinc/01/49/84/556014984.db2.gz PIYLOOYQYCNIPQ-OAHLLOKOSA-N 1 1 427.570 4.168 50 0 IIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@@H](C)C2)CCC3)cc1 ZINC000004845072 556014990 /nfs/dbraw/zinc/01/49/90/556014990.db2.gz PIYLOOYQYCNIPQ-OAHLLOKOSA-N 1 1 427.570 4.168 50 0 IIAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000013758444 556301135 /nfs/dbraw/zinc/30/11/35/556301135.db2.gz WTPLCNNGJKQFFS-RMUDUWAUSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000013758444 556301139 /nfs/dbraw/zinc/30/11/39/556301139.db2.gz WTPLCNNGJKQFFS-RMUDUWAUSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000009831801 556312691 /nfs/dbraw/zinc/31/26/91/556312691.db2.gz PBCCEPWBHDJHJD-HSZRJFAPSA-N 1 1 436.596 4.397 50 0 IIAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000009933445 556317060 /nfs/dbraw/zinc/31/70/60/556317060.db2.gz WUESVFUGYXAONW-LJQANCHMSA-N 1 1 443.385 4.255 50 0 IIAAMO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCc1cccs1 ZINC000013879957 556325077 /nfs/dbraw/zinc/32/50/77/556325077.db2.gz PRJVCCKAPHMJRR-UHFFFAOYSA-N 1 1 447.604 4.078 50 0 IIAAMO COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)ccc1O ZINC000011661093 556342660 /nfs/dbraw/zinc/34/26/60/556342660.db2.gz HKRMMUABYFIYMS-VDWXUZIHSA-N 1 1 438.955 4.333 50 0 IIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000011662098 556343578 /nfs/dbraw/zinc/34/35/78/556343578.db2.gz PQXDSGJHECNVIX-FQEVSTJZSA-N 1 1 440.584 4.411 50 0 IIAAMO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cc(F)ccc3F)CC2)c(Cl)c1 ZINC000011753852 556348799 /nfs/dbraw/zinc/34/87/99/556348799.db2.gz VUACMUBZRBVABW-UHFFFAOYSA-N 1 1 438.902 4.038 50 0 IIAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011770248 556350192 /nfs/dbraw/zinc/35/01/92/556350192.db2.gz VHBUXPQPWPHODX-QFIPXVFZSA-N 1 1 432.568 4.330 50 0 IIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011770248 556350195 /nfs/dbraw/zinc/35/01/95/556350195.db2.gz VHBUXPQPWPHODX-QFIPXVFZSA-N 1 1 432.568 4.330 50 0 IIAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 ZINC000011818483 556360509 /nfs/dbraw/zinc/36/05/09/556360509.db2.gz KDMOYRSXZCEQJB-HXUWFJFHSA-N 1 1 440.584 4.411 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000012050302 556392107 /nfs/dbraw/zinc/39/21/07/556392107.db2.gz BIABKDMNTYKDLN-HNNXBMFYSA-N 1 1 434.993 4.491 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000012050302 556392109 /nfs/dbraw/zinc/39/21/09/556392109.db2.gz BIABKDMNTYKDLN-HNNXBMFYSA-N 1 1 434.993 4.491 50 0 IIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000012053791 556393232 /nfs/dbraw/zinc/39/32/32/556393232.db2.gz QOHCHLVMTXEFPF-UHFFFAOYSA-N 1 1 425.536 4.265 50 0 IIAAMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nc(C)nc3sc(-c4ccccc4)cc32)CC1 ZINC000032809889 556394867 /nfs/dbraw/zinc/39/48/67/556394867.db2.gz VHXSPLQAUBTKKS-UHFFFAOYSA-N 1 1 437.613 4.047 50 0 IIAAMO O=C(c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000032809839 556394890 /nfs/dbraw/zinc/39/48/90/556394890.db2.gz JTRUAJUZNNDQEA-OAQYLSRUSA-N 1 1 433.527 4.368 50 0 IIAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000012072599 556396099 /nfs/dbraw/zinc/39/60/99/556396099.db2.gz FZZITNVNCBBRBU-UHFFFAOYSA-N 1 1 441.524 4.038 50 0 IIAAMO COc1ccc(OC)c([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+]2CCCCC2)c1 ZINC000032622370 556409697 /nfs/dbraw/zinc/40/96/97/556409697.db2.gz QQJJDGUPMMXJBC-LJQANCHMSA-N 1 1 441.553 4.377 50 0 IIAAMO COc1ccc(-c2csc(NC(=O)c3ccc(C[N@@H+]4CCO[C@H](C)C4)cc3)n2)cc1F ZINC000032824682 556410132 /nfs/dbraw/zinc/41/01/32/556410132.db2.gz YUCALNAXTHEUGJ-OAHLLOKOSA-N 1 1 441.528 4.431 50 0 IIAAMO COc1ccc(-c2csc(NC(=O)c3ccc(C[N@H+]4CCO[C@H](C)C4)cc3)n2)cc1F ZINC000032824682 556410135 /nfs/dbraw/zinc/41/01/35/556410135.db2.gz YUCALNAXTHEUGJ-OAHLLOKOSA-N 1 1 441.528 4.431 50 0 IIAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)c1 ZINC000012996530 556431240 /nfs/dbraw/zinc/43/12/40/556431240.db2.gz DAXJCMMVBOVVBU-SANMLTNESA-N 1 1 445.563 4.495 50 0 IIAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCc2ccccc2)C1 ZINC000014753607 556444480 /nfs/dbraw/zinc/44/44/80/556444480.db2.gz FRQVDLOAIKPLRX-LOSJGSFVSA-N 1 1 447.623 4.067 50 0 IIAAMO CC[NH+]1CCN(C2(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)CCCCC2)CC1 ZINC000028293527 556450989 /nfs/dbraw/zinc/45/09/89/556450989.db2.gz JZEWOBRRPVKXOE-HXUWFJFHSA-N 1 1 436.040 4.181 50 0 IIAAMO O=C(CCC(=O)c1ccc(Br)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029939312 556486947 /nfs/dbraw/zinc/48/69/47/556486947.db2.gz GQHPNEFFCPLCNX-SFHVURJKSA-N 1 1 433.346 4.348 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)CCCc3cccs3)C2)cc1OC ZINC000015066090 556492748 /nfs/dbraw/zinc/49/27/48/556492748.db2.gz PQFMTKQMIXDXBO-HXUWFJFHSA-N 1 1 430.614 4.254 50 0 IIAAMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000072305225 556550626 /nfs/dbraw/zinc/55/06/26/556550626.db2.gz VGTHDNVHMOVQIF-CTNGQTDRSA-N 1 1 447.501 4.489 50 0 IIAAMO O=C(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000072306939 556560836 /nfs/dbraw/zinc/56/08/36/556560836.db2.gz OSLAKVQNOKUKMV-QFIPXVFZSA-N 1 1 434.580 4.298 50 0 IIAAMO COc1cc(NC(=O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c(OC)cc1Cl ZINC000072308756 556567378 /nfs/dbraw/zinc/56/73/78/556567378.db2.gz TZNNZXYGIWOCMD-FQEVSTJZSA-N 1 1 432.948 4.058 50 0 IIAAMO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccccc1 ZINC000034836458 556583040 /nfs/dbraw/zinc/58/30/40/556583040.db2.gz CXFBHHSKSAXSOM-UHFFFAOYSA-N 1 1 435.591 4.484 50 0 IIAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+]([C@@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000039357083 556627988 /nfs/dbraw/zinc/62/79/88/556627988.db2.gz WAUKMIDDXCQJPJ-LOSJGSFVSA-N 1 1 435.612 4.301 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248150424 556669297 /nfs/dbraw/zinc/66/92/97/556669297.db2.gz GTPXADIQRVKYFE-GGAORHGYSA-N 1 1 430.539 4.311 50 0 IIAAMO CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC(C)C ZINC000248229177 556676570 /nfs/dbraw/zinc/67/65/70/556676570.db2.gz KFBPRVOSTGVXRB-SIKLNZKXSA-N 1 1 448.604 4.121 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000248340953 556681158 /nfs/dbraw/zinc/68/11/58/556681158.db2.gz VPBLXOLTDCARML-KEWLPNKHSA-N 1 1 439.943 4.236 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023038 556691101 /nfs/dbraw/zinc/69/11/01/556691101.db2.gz CTFKSLYPINLIIG-IBGZPJMESA-N 1 1 441.601 4.052 50 0 IIAAMO CCn1c2ccccc2nc1CN(CCOC)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000019222987 556716255 /nfs/dbraw/zinc/71/62/55/556716255.db2.gz UNSBLPXESLAUPH-QFIPXVFZSA-N 1 1 446.639 4.384 50 0 IIAAMO C[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)Cc1ccc2nccnc2c1 ZINC000055053954 556732752 /nfs/dbraw/zinc/73/27/52/556732752.db2.gz AWWJNISPQJZJIM-UHFFFAOYSA-N 1 1 448.596 4.377 50 0 IIAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)Cc1ccc2nccnc2c1 ZINC000055053954 556732754 /nfs/dbraw/zinc/73/27/54/556732754.db2.gz AWWJNISPQJZJIM-UHFFFAOYSA-N 1 1 448.596 4.377 50 0 IIAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000055091113 556734312 /nfs/dbraw/zinc/73/43/12/556734312.db2.gz QATDKMWNIKZAST-GOSISDBHSA-N 1 1 447.501 4.141 50 0 IIAAMO CCOc1ccc2nc(N3CCC[N@@H+](Cc4cccn4-c4ccccn4)CC3)nc(C)c2c1 ZINC000055100004 556734623 /nfs/dbraw/zinc/73/46/23/556734623.db2.gz UHQLFEROPXPUDT-UHFFFAOYSA-N 1 1 442.567 4.235 50 0 IIAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1Cl ZINC000055153452 556736388 /nfs/dbraw/zinc/73/63/88/556736388.db2.gz SNGPQPXLRGQTCR-JXFKEZNVSA-N 1 1 426.973 4.230 50 0 IIAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1Cl ZINC000055153452 556736389 /nfs/dbraw/zinc/73/63/89/556736389.db2.gz SNGPQPXLRGQTCR-JXFKEZNVSA-N 1 1 426.973 4.230 50 0 IIAAMO CCCCc1nc(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)[nH]c1C ZINC000004629790 556796915 /nfs/dbraw/zinc/79/69/15/556796915.db2.gz VSARXFAGNRLFNO-UHFFFAOYSA-N 1 1 430.662 4.266 50 0 IIAAMO O=C1c2cccc(N3CC[NH+](Cc4ccsc4)CC3)c2C(=O)N1CCc1cccc(F)c1 ZINC000059322717 556797754 /nfs/dbraw/zinc/79/77/54/556797754.db2.gz OOUKBLHHOOOVOF-UHFFFAOYSA-N 1 1 449.551 4.048 50 0 IIAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000067601743 556843265 /nfs/dbraw/zinc/84/32/65/556843265.db2.gz VEXPTFCGTYTSPW-UHFFFAOYSA-N 1 1 427.552 4.015 50 0 IIAAMO CCOCc1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)ccc1OC ZINC000019733174 556877037 /nfs/dbraw/zinc/87/70/37/556877037.db2.gz CHSZDBVHLCYGMB-QHCPKHFHSA-N 1 1 441.591 4.157 50 0 IIAAMO Cc1ccccc1CN1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000020209862 556998739 /nfs/dbraw/zinc/99/87/39/556998739.db2.gz BNNPAQPZBNUIOJ-QHCPKHFHSA-N 1 1 427.658 4.111 50 0 IIAAMO O=C(c1cc(F)cc2c1OCOC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020223628 557000698 /nfs/dbraw/zinc/00/06/98/557000698.db2.gz SYIPASTZOIFZPV-UHFFFAOYSA-N 1 1 432.495 4.240 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000046032309 557024547 /nfs/dbraw/zinc/02/45/47/557024547.db2.gz DUYUYILACCOHKT-UHFFFAOYSA-N 1 1 432.549 4.239 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000046032309 557024550 /nfs/dbraw/zinc/02/45/50/557024550.db2.gz DUYUYILACCOHKT-UHFFFAOYSA-N 1 1 432.549 4.239 50 0 IIAAMO COCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032334 557024563 /nfs/dbraw/zinc/02/45/63/557024563.db2.gz HAZZZMYERJKCLT-UHFFFAOYSA-N 1 1 426.586 4.156 50 0 IIAAMO COCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032334 557024567 /nfs/dbraw/zinc/02/45/67/557024567.db2.gz HAZZZMYERJKCLT-UHFFFAOYSA-N 1 1 426.586 4.156 50 0 IIAAMO COc1ccccc1N1CCC([N@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)CC1 ZINC000023375044 557088825 /nfs/dbraw/zinc/08/88/25/557088825.db2.gz ATKMXCNNXUOSGT-VWLOTQADSA-N 1 1 448.655 4.259 50 0 IIAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+](C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000011373176 557130110 /nfs/dbraw/zinc/13/01/10/557130110.db2.gz KLMZHLTVRLYRAW-RUZDIDTESA-N 1 1 435.499 4.453 50 0 IIAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@@H+](C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000011373176 557130113 /nfs/dbraw/zinc/13/01/13/557130113.db2.gz KLMZHLTVRLYRAW-RUZDIDTESA-N 1 1 435.499 4.453 50 0 IIAAMO O=C(C[N@@H+](CCc1cccs1)Cc1cccs1)Nc1ccc(N2CCOCC2)cc1 ZINC000024864645 557174938 /nfs/dbraw/zinc/17/49/38/557174938.db2.gz ZKGUJWXZRWNAGO-UHFFFAOYSA-N 1 1 441.622 4.330 50 0 IIAAMO CC[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000025139405 557196497 /nfs/dbraw/zinc/19/64/97/557196497.db2.gz QNEIZPYRQJBIBM-NRFANRHFSA-N 1 1 446.389 4.232 50 0 IIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCn1ccc2cccc(OC)c21 ZINC000583647600 557241295 /nfs/dbraw/zinc/24/12/95/557241295.db2.gz QOHABHYRBNGTAM-GOTSBHOMSA-N 1 1 441.616 4.170 50 0 biogenic IIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000027365306 557261139 /nfs/dbraw/zinc/26/11/39/557261139.db2.gz AXRWEQQKIGFMHE-HNNXBMFYSA-N 1 1 433.585 4.316 50 0 IIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000027365306 557261147 /nfs/dbraw/zinc/26/11/47/557261147.db2.gz AXRWEQQKIGFMHE-HNNXBMFYSA-N 1 1 433.585 4.316 50 0 IIAAMO COC(=O)c1ccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000023330329 557341127 /nfs/dbraw/zinc/34/11/27/557341127.db2.gz UBGOFCDSJDUWOV-RUZDIDTESA-N 1 1 428.532 4.329 50 0 IIAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000033796141 557367600 /nfs/dbraw/zinc/36/76/00/557367600.db2.gz CHUWODLPYWLIBD-UHFFFAOYSA-N 1 1 439.300 4.317 50 0 IIAAMO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000023982413 557389842 /nfs/dbraw/zinc/38/98/42/557389842.db2.gz UOZLDBLOTXYKFE-MRXNPFEDSA-N 1 1 431.569 4.495 50 0 IIAAMO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)n1 ZINC000023982413 557389847 /nfs/dbraw/zinc/38/98/47/557389847.db2.gz UOZLDBLOTXYKFE-MRXNPFEDSA-N 1 1 431.569 4.495 50 0 IIAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=S)NC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000103051994 557416942 /nfs/dbraw/zinc/41/69/42/557416942.db2.gz GUGWXKDUQGFROS-UUOWRZLLSA-N 1 1 441.641 4.373 50 0 IIAAMO O=C(Nc1cccc(OC(F)(F)F)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000051317155 557466393 /nfs/dbraw/zinc/46/63/93/557466393.db2.gz DVCYQMFJLOBVAI-UHFFFAOYSA-N 1 1 446.429 4.486 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)n2)C1 ZINC000045946308 557550790 /nfs/dbraw/zinc/55/07/90/557550790.db2.gz YOEUYHCDYHJINY-IYBDPMFKSA-N 1 1 436.622 4.207 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)n2)C1 ZINC000045946308 557550792 /nfs/dbraw/zinc/55/07/92/557550792.db2.gz YOEUYHCDYHJINY-IYBDPMFKSA-N 1 1 436.622 4.207 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000229969381 557834437 /nfs/dbraw/zinc/83/44/37/557834437.db2.gz PQSXDVDBONCONJ-XUZZJYLKSA-N 1 1 443.494 4.315 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000229969381 557834439 /nfs/dbraw/zinc/83/44/39/557834439.db2.gz PQSXDVDBONCONJ-XUZZJYLKSA-N 1 1 443.494 4.315 50 0 IIAAMO O=C(CN1CCCCC1)Nc1ccc(Cc2ccc(NC(=O)C[NH+]3CCCCC3)cc2)cc1 ZINC000004118291 562942188 /nfs/dbraw/zinc/94/21/88/562942188.db2.gz RTGRJCRSQRIYDI-UHFFFAOYSA-N 1 1 448.611 4.126 50 0 IIAAMO O=C(c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000009115871 562967182 /nfs/dbraw/zinc/96/71/82/562967182.db2.gz IYAGBNDBNZMXLZ-PMERELPUSA-N 1 1 449.016 4.472 50 0 IIAAMO O=C(c1ccc(C[S@](=O)Cc2ccc(Cl)cc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000009115827 562967219 /nfs/dbraw/zinc/96/72/19/562967219.db2.gz KWNWTXXOSLFWHA-PMERELPUSA-N 1 1 449.016 4.472 50 0 IIAAMO COc1ccc([C@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440830 563024948 /nfs/dbraw/zinc/02/49/48/563024948.db2.gz VARZVSBFQFXSMO-VPUSJEBWSA-N 1 1 433.548 4.056 50 0 IIAAMO COc1ccc2c(c1)c(C(=O)C[NH+]1CCC3(CC1)OCCO3)c(C)n2Cc1ccccc1 ZINC000057061450 563143210 /nfs/dbraw/zinc/14/32/10/563143210.db2.gz KTARPCYUDYCUGZ-UHFFFAOYSA-N 1 1 434.536 4.028 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000025143129 568639737 /nfs/dbraw/zinc/63/97/37/568639737.db2.gz ZXDLJIVAHILJQZ-HUUCEWRRSA-N 1 1 434.533 4.169 50 0 IIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263586221 568759463 /nfs/dbraw/zinc/75/94/63/568759463.db2.gz RJYDVNNGTAGUTL-WWNPGLIZSA-N 1 1 429.630 4.269 50 0 biogenic IIAAMO O=C(C[C@H](c1cccc2ccccc21)n1cccc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000263588826 568761147 /nfs/dbraw/zinc/76/11/47/568761147.db2.gz YXWCMLXBCBFFNS-HHHXNRCGSA-N 1 1 438.575 4.403 50 0 IIAAMO O=C(Nc1ccccc1Oc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000084535859 568798621 /nfs/dbraw/zinc/79/86/21/568798621.db2.gz KJKUGEAELYWBPP-GMAHTHKFSA-N 1 1 431.536 4.483 50 0 IIAAMO Cc1nc(-c2ccc(S(=O)(=O)NC[C@H](c3csc4ccccc43)[NH+](C)C)cc2)co1 ZINC000575622196 568883127 /nfs/dbraw/zinc/88/31/27/568883127.db2.gz XMVJSZPVJBBXQG-OAQYLSRUSA-N 1 1 441.578 4.446 50 0 IIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]3[C@@H]3CCC[N@@H+]32)cc1 ZINC000245328556 568915103 /nfs/dbraw/zinc/91/51/03/568915103.db2.gz UZPHINACJLIIRP-BOLBYERCSA-N 1 1 443.330 4.137 50 0 IIAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]3[C@@H]3CCC[N@H+]32)cc1 ZINC000245328556 568915104 /nfs/dbraw/zinc/91/51/04/568915104.db2.gz UZPHINACJLIIRP-BOLBYERCSA-N 1 1 443.330 4.137 50 0 IIAAMO CN(c1ccc(NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1F)C1CCCCC1 ZINC000089382620 568921509 /nfs/dbraw/zinc/92/15/09/568921509.db2.gz UBCWHYYNRVPWDZ-QFIPXVFZSA-N 1 1 445.627 4.228 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccccc2F)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095350 568951332 /nfs/dbraw/zinc/95/13/32/568951332.db2.gz VEWGSNUDYCIUHN-NRFANRHFSA-N 1 1 425.500 4.285 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccccc2F)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095350 568951335 /nfs/dbraw/zinc/95/13/35/568951335.db2.gz VEWGSNUDYCIUHN-NRFANRHFSA-N 1 1 425.500 4.285 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036095749 568951639 /nfs/dbraw/zinc/95/16/39/568951639.db2.gz NETLASIGWPMSRP-IBGZPJMESA-N 1 1 431.916 4.392 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036095749 568951640 /nfs/dbraw/zinc/95/16/40/568951640.db2.gz NETLASIGWPMSRP-IBGZPJMESA-N 1 1 431.916 4.392 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036102330 568952670 /nfs/dbraw/zinc/95/26/70/568952670.db2.gz NWAQBNQPCPNEPH-JOCHJYFZSA-N 1 1 435.520 4.174 50 0 IIAAMO CCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)cc1 ZINC000064801045 568960699 /nfs/dbraw/zinc/96/06/99/568960699.db2.gz YAPIZXDTBSJIDN-UHFFFAOYSA-N 1 1 433.512 4.016 50 0 IIAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000036163081 568967909 /nfs/dbraw/zinc/96/79/09/568967909.db2.gz CFYSQFVGGMADQS-URXFXBBRSA-N 1 1 433.552 4.046 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000169677683 568989664 /nfs/dbraw/zinc/98/96/64/568989664.db2.gz JXRLMHSLBVGCKH-AHWVRZQESA-N 1 1 448.538 4.433 50 0 IIAAMO Cc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COC(C)C)C2)cc1 ZINC000169680054 568990608 /nfs/dbraw/zinc/99/06/08/568990608.db2.gz QVHFCVVXVMGGMB-PKTZIBPZSA-N 1 1 430.976 4.430 50 0 IIAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CCCCC1 ZINC000169679146 568990787 /nfs/dbraw/zinc/99/07/87/568990787.db2.gz CTGVYPRVVMKBHQ-SJLPKXTDSA-N 1 1 447.645 4.030 50 0 IIAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304027 568994289 /nfs/dbraw/zinc/99/42/89/568994289.db2.gz WAULJOMWHKSQDN-HXUWFJFHSA-N 1 1 445.510 4.471 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304027 568994291 /nfs/dbraw/zinc/99/42/91/568994291.db2.gz WAULJOMWHKSQDN-HXUWFJFHSA-N 1 1 445.510 4.471 50 0 IIAAMO CCC[C@@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036309142 568995939 /nfs/dbraw/zinc/99/59/39/568995939.db2.gz OPZKSNAVAZBEPP-OFNKIYASSA-N 1 1 444.641 4.434 50 0 IIAAMO CCC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036309378 568995974 /nfs/dbraw/zinc/99/59/74/568995974.db2.gz MHHOBLVUYIZPRQ-IRLDBZIGSA-N 1 1 444.641 4.353 50 0 IIAAMO CCCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310908 568996900 /nfs/dbraw/zinc/99/69/00/568996900.db2.gz HGCHCLMSUAYJQC-QHCPKHFHSA-N 1 1 428.621 4.387 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313041 568998156 /nfs/dbraw/zinc/99/81/56/568998156.db2.gz JNOFZXICWRFDQQ-QFIPXVFZSA-N 1 1 427.589 4.330 50 0 IIAAMO COc1ccc(OC)c([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036344372 569080286 /nfs/dbraw/zinc/08/02/86/569080286.db2.gz JLUZZGWYXWABKH-XMMPIXPASA-N 1 1 435.568 4.484 50 0 IIAAMO CC(=O)Nc1ccc(SCC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000036397453 569100449 /nfs/dbraw/zinc/10/04/49/569100449.db2.gz MDJXRJZBTTULGJ-SFHVURJKSA-N 1 1 425.598 4.285 50 0 IIAAMO O=C(COc1ccc(Cl)cc1Cl)NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700103 569135106 /nfs/dbraw/zinc/13/51/06/569135106.db2.gz MNZYOPXVPUYDNB-OAQYLSRUSA-N 1 1 437.367 4.342 50 0 IIAAMO O=C(COc1ccc(Cl)cc1Cl)NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700103 569135108 /nfs/dbraw/zinc/13/51/08/569135108.db2.gz MNZYOPXVPUYDNB-OAQYLSRUSA-N 1 1 437.367 4.342 50 0 IIAAMO C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606030 569143900 /nfs/dbraw/zinc/14/39/00/569143900.db2.gz UQQWFCSWCNVVSX-KUHUBIRLSA-N 1 1 427.346 4.319 50 0 IIAAMO C[C@@H]1C[C@@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000095408996 569365056 /nfs/dbraw/zinc/36/50/56/569365056.db2.gz YJOAPKMPADYJON-IRLDBZIGSA-N 1 1 431.536 4.422 50 0 IIAAMO O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095478198 569373459 /nfs/dbraw/zinc/37/34/59/569373459.db2.gz IRCPWBCJDUBYBM-QHCPKHFHSA-N 1 1 436.987 4.097 50 0 IIAAMO O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095478197 569373464 /nfs/dbraw/zinc/37/34/64/569373464.db2.gz IRCPWBCJDUBYBM-HSZRJFAPSA-N 1 1 436.987 4.097 50 0 IIAAMO O=C(NCCc1cccs1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000096457216 569400764 /nfs/dbraw/zinc/40/07/64/569400764.db2.gz UEDKFWSYNSLDHS-ZCYQVOJMSA-N 1 1 449.595 4.109 50 0 IIAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000057536246 569439466 /nfs/dbraw/zinc/43/94/66/569439466.db2.gz ZFEWDPAJNNOVCY-ZEQRLZLVSA-N 1 1 431.580 4.375 50 0 IIAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)c1C ZINC000057886665 569442484 /nfs/dbraw/zinc/44/24/84/569442484.db2.gz LSKWRYSUAGTQSB-HNNXBMFYSA-N 1 1 425.554 4.479 50 0 IIAAMO COc1ccccc1[C@H](c1cc(C)sc1NC(=O)c1ccco1)N1CC[NH+](C)CC1 ZINC000038546404 569463594 /nfs/dbraw/zinc/46/35/94/569463594.db2.gz LXVAQKXUCZKVGG-OAQYLSRUSA-N 1 1 425.554 4.247 50 0 IIAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008939558 569488259 /nfs/dbraw/zinc/48/82/59/569488259.db2.gz HWAHFMOOZCAWFA-SJORKVTESA-N 1 1 434.565 4.240 50 0 IIAAMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000040155678 569493935 /nfs/dbraw/zinc/49/39/35/569493935.db2.gz SXHGQJVXVSTOGE-OAHLLOKOSA-N 1 1 430.474 4.396 50 0 IIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000009151106 569507411 /nfs/dbraw/zinc/50/74/11/569507411.db2.gz IPVYSZNOPHZHFF-UHFFFAOYSA-N 1 1 440.569 4.256 50 0 IIAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000009488070 569539821 /nfs/dbraw/zinc/53/98/21/569539821.db2.gz XRTBSOUYSOFXJB-RPWUZVMVSA-N 1 1 436.471 4.277 50 0 IIAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)nn2)CC1 ZINC000010186655 569578403 /nfs/dbraw/zinc/57/84/03/569578403.db2.gz OTWMUWGQUNDOEC-UHFFFAOYSA-N 1 1 441.457 4.167 50 0 IIAAMO Cc1[nH]c(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)nc1Cc1ccccc1 ZINC000010393542 569581872 /nfs/dbraw/zinc/58/18/72/569581872.db2.gz POBFVJUVMKLQTI-UHFFFAOYSA-N 1 1 434.609 4.182 50 0 IIAAMO C[N@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccccc1N1CCOCC1 ZINC000009870089 132330629 /nfs/dbraw/zinc/33/06/29/132330629.db2.gz WDGWTPAKUKNGIS-UHFFFAOYSA-N 1 1 431.536 4.386 50 0 IIAAMO C[N@@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccccc1N1CCOCC1 ZINC000009870089 132330631 /nfs/dbraw/zinc/33/06/31/132330631.db2.gz WDGWTPAKUKNGIS-UHFFFAOYSA-N 1 1 431.536 4.386 50 0 IIAAMO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012790096 519820329 /nfs/dbraw/zinc/82/03/29/519820329.db2.gz JIQLBFJVNAZTSG-UXHICEINSA-N 1 1 436.383 4.167 50 0 IIAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(C)=O)CC2)cc1 ZINC000021796606 520837661 /nfs/dbraw/zinc/83/76/61/520837661.db2.gz QOSKUGSRBNZSCJ-UHFFFAOYSA-N 1 1 441.535 4.155 50 0 IIAAMO CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908322 521523158 /nfs/dbraw/zinc/52/31/58/521523158.db2.gz RWWGVCJIIJNEDF-OAQYLSRUSA-N 1 1 449.576 4.001 50 0 IIAAMO CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908322 521523165 /nfs/dbraw/zinc/52/31/65/521523165.db2.gz RWWGVCJIIJNEDF-OAQYLSRUSA-N 1 1 449.576 4.001 50 0 IIAAMO CCC(CC)[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+]1CCOCC1 ZINC000022898683 521618689 /nfs/dbraw/zinc/61/86/89/521618689.db2.gz BCYZDLYCKSKMRO-VWLOTQADSA-N 1 1 432.568 4.164 50 0 IIAAMO CCCn1ncc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000022851630 521672021 /nfs/dbraw/zinc/67/20/21/521672021.db2.gz DDIVFQUMAVDBJJ-QHCPKHFHSA-N 1 1 449.565 4.407 50 0 IIAAMO CCCn1ncc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000022851630 521672027 /nfs/dbraw/zinc/67/20/27/521672027.db2.gz DDIVFQUMAVDBJJ-QHCPKHFHSA-N 1 1 449.565 4.407 50 0 IIAAMO CCN1CC[NH+]([C@@H](C)CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000041157321 521691257 /nfs/dbraw/zinc/69/12/57/521691257.db2.gz CPWNCBVEVVCHGR-IBGZPJMESA-N 1 1 442.567 4.390 50 0 IIAAMO CC[C@H](NC(=O)NC(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000036048488 522434232 /nfs/dbraw/zinc/43/42/32/522434232.db2.gz LBBNJWNVAZKHAZ-XUZZJYLKSA-N 1 1 443.563 4.429 50 0 IIAAMO CC[C@H](NC(=O)NC(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000036048488 522434239 /nfs/dbraw/zinc/43/42/39/522434239.db2.gz LBBNJWNVAZKHAZ-XUZZJYLKSA-N 1 1 443.563 4.429 50 0 IIAAMO COc1cc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c(C)cc1C ZINC000021794783 522897592 /nfs/dbraw/zinc/89/75/92/522897592.db2.gz IVDLPHDEYWJELL-UHFFFAOYSA-N 1 1 441.557 4.021 50 0 IIAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2O)cc1 ZINC000020591195 523077165 /nfs/dbraw/zinc/07/71/65/523077165.db2.gz DZIPXANSGQRFCA-IRXDYDNUSA-N 1 1 437.540 4.254 50 0 IIAAMO CN1CCC([N@@H+](C)Cc2cccc(OC[C@H]3CCCN(C(=O)C4CCCCC4)C3)c2)CC1 ZINC000012279362 523316886 /nfs/dbraw/zinc/31/68/86/523316886.db2.gz GIAUAMXYNKGNRH-QHCPKHFHSA-N 1 1 441.660 4.410 50 0 IIAAMO CN(Cc1cccc(OC[C@H]2CCCN(C(=O)C3CCCCC3)C2)c1)C1CC[NH+](C)CC1 ZINC000012279362 523316900 /nfs/dbraw/zinc/31/69/00/523316900.db2.gz GIAUAMXYNKGNRH-QHCPKHFHSA-N 1 1 441.660 4.410 50 0 IIAAMO C[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000012152230 523418940 /nfs/dbraw/zinc/41/89/40/523418940.db2.gz ALTAIULUHICPRB-MHZLTWQESA-N 1 1 443.591 4.442 50 0 IIAAMO COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022784995 523721336 /nfs/dbraw/zinc/72/13/36/523721336.db2.gz VYXYANQBSOESGI-NBGIEHNGSA-N 1 1 449.620 4.434 50 0 IIAAMO COc1ccc(CC[NH+]2CCC(CN(C)Cc3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000012712273 523949145 /nfs/dbraw/zinc/94/91/45/523949145.db2.gz HUVIYJSVTZJHKG-UHFFFAOYSA-N 1 1 442.600 4.108 50 0 IIAAMO COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020686938 524022119 /nfs/dbraw/zinc/02/21/19/524022119.db2.gz YTSPECJUINQHAL-OHUGHZGNSA-N 1 1 449.595 4.162 50 0 IIAAMO COc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)c(F)c1 ZINC000012317942 524024941 /nfs/dbraw/zinc/02/49/41/524024941.db2.gz SXUZSDAEFSAPRC-UHFFFAOYSA-N 1 1 449.526 4.203 50 0 IIAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020683322 524434199 /nfs/dbraw/zinc/43/41/99/524434199.db2.gz NNQQQZLYNBVNQY-TYBLODHISA-N 1 1 433.596 4.176 50 0 IIAAMO Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 ZINC000020452286 524448084 /nfs/dbraw/zinc/44/80/84/524448084.db2.gz WORNQRHTIKXJKP-QHCPKHFHSA-N 1 1 425.642 4.393 50 0 IIAAMO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1OC ZINC000022931974 524604786 /nfs/dbraw/zinc/60/47/86/524604786.db2.gz AWABCANODNBDOJ-KRWDZBQOSA-N 1 1 439.581 4.063 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000022908236 525004892 /nfs/dbraw/zinc/00/48/92/525004892.db2.gz OPAPKSQYNLZEBV-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1C ZINC000022908236 525004901 /nfs/dbraw/zinc/00/49/01/525004901.db2.gz OPAPKSQYNLZEBV-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012748195 525187831 /nfs/dbraw/zinc/18/78/31/525187831.db2.gz NCLRVETXJBFSPC-RUZDIDTESA-N 1 1 428.532 4.493 50 0 IIAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2cccs2)cc1 ZINC000012911657 525967924 /nfs/dbraw/zinc/96/79/24/525967924.db2.gz LTAWJRURSHNTHZ-NRFANRHFSA-N 1 1 439.606 4.413 50 0 IIAAMO CSc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000012737044 525986436 /nfs/dbraw/zinc/98/64/36/525986436.db2.gz DKOXJQXDVHEKLJ-SFHVURJKSA-N 1 1 437.487 4.147 50 0 IIAAMO CSc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000012737044 525986441 /nfs/dbraw/zinc/98/64/41/525986441.db2.gz DKOXJQXDVHEKLJ-SFHVURJKSA-N 1 1 437.487 4.147 50 0 IIAAMO CSc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000012737042 525987845 /nfs/dbraw/zinc/98/78/45/525987845.db2.gz DKOXJQXDVHEKLJ-GOSISDBHSA-N 1 1 437.487 4.147 50 0 IIAAMO CSc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000012737042 525987853 /nfs/dbraw/zinc/98/78/53/525987853.db2.gz DKOXJQXDVHEKLJ-GOSISDBHSA-N 1 1 437.487 4.147 50 0 IIAAMO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012752985 526132603 /nfs/dbraw/zinc/13/26/03/526132603.db2.gz GISHCSXBHPQCOS-OAHLLOKOSA-N 1 1 430.346 4.127 50 0 IIAAMO Cc1cc(=O)oc2cc(OCC(=O)N3CC[NH+]([C@H](C)c4ccccc4)CC3)c(Cl)cc12 ZINC000022024837 526148877 /nfs/dbraw/zinc/14/88/77/526148877.db2.gz FSSCIMISIWHURQ-QGZVFWFLSA-N 1 1 440.927 4.039 50 0 IIAAMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012877604 526165029 /nfs/dbraw/zinc/16/50/29/526165029.db2.gz QDIJJVLCUHBFMJ-MRXNPFEDSA-N 1 1 433.474 4.061 50 0 IIAAMO O[C@H](COc1ccc(Br)cc1Br)C[N@H+]1CCc2ccccc2C1 ZINC000012420350 526289823 /nfs/dbraw/zinc/28/98/23/526289823.db2.gz UNHBJLAFWAPCIX-INIZCTEOSA-N 1 1 441.163 4.010 50 0 IIAAMO Cc1nn2c(nc(C(C)(C)C)cc2NCCC[NH+]2CCOCC2)c1-c1ccc(F)cc1 ZINC000021799294 526310300 /nfs/dbraw/zinc/31/03/00/526310300.db2.gz ARNDBKIPMDVTNB-UHFFFAOYSA-N 1 1 425.552 4.276 50 0 IIAAMO c1cc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)n(-c2ccccn2)c1 ZINC000012435082 526424644 /nfs/dbraw/zinc/42/46/44/526424644.db2.gz OCYQAYDFLJFGFD-UHFFFAOYSA-N 1 1 436.563 4.140 50 0 IIAAMO O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870011 526425949 /nfs/dbraw/zinc/42/59/49/526425949.db2.gz SMPKGLFKYJDAAJ-XNMGPUDCSA-N 1 1 443.566 4.048 50 0 IIAAMO O=C(NCCc1ccccc1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870012 526426031 /nfs/dbraw/zinc/42/60/31/526426031.db2.gz SMPKGLFKYJDAAJ-AHKZPQOWSA-N 1 1 443.566 4.048 50 0 IIAAMO Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000022836460 526677539 /nfs/dbraw/zinc/67/75/39/526677539.db2.gz NCRFSLJMNIPUAX-UHFFFAOYSA-N 1 1 430.483 4.295 50 0 IIAAMO Cc1sc2nc(-c3cccs3)nc(N3CCC[N@H+](CC(=O)NC(C)C)CC3)c2c1C ZINC000012907343 526887688 /nfs/dbraw/zinc/88/76/88/526887688.db2.gz QWMJSLRABZBBSP-UHFFFAOYSA-N 1 1 443.642 4.073 50 0 IIAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000021794815 527005522 /nfs/dbraw/zinc/00/55/22/527005522.db2.gz WPHGMNMXEBKKMW-UHFFFAOYSA-N 1 1 427.505 4.069 50 0 IIAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000012471860 527665975 /nfs/dbraw/zinc/66/59/75/527665975.db2.gz WNDWGJZPJBORCN-MRXNPFEDSA-N 1 1 429.977 4.356 50 0 IIAAMO CC(C)(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4ccccc4)co3)CC2)cc1 ZINC000034677980 555796522 /nfs/dbraw/zinc/79/65/22/555796522.db2.gz QQLNAVCPWNICOB-UHFFFAOYSA-N 1 1 446.595 4.220 50 0 IIAAMO Cc1ccc(N2CC[NH+](C[C@@H]3CN(C(=O)Nc4cccc(Cl)c4)CCO3)CC2)cc1C ZINC000034685889 555821018 /nfs/dbraw/zinc/82/10/18/555821018.db2.gz FZQSOVWLOQEYED-HSZRJFAPSA-N 1 1 442.991 4.012 50 0 IIAAMO Cc1ccc(CN2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4)c3C2)cc1 ZINC000034755502 555900454 /nfs/dbraw/zinc/90/04/54/555900454.db2.gz WILBSRWDABITSG-UHFFFAOYSA-N 1 1 447.558 4.027 50 0 IIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@@H+]2CCC[C@H](C)C2)CCC3)cc1 ZINC000004845073 556015030 /nfs/dbraw/zinc/01/50/30/556015030.db2.gz PIYLOOYQYCNIPQ-HNNXBMFYSA-N 1 1 427.570 4.168 50 0 IIAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)C[N@H+]2CCC[C@H](C)C2)CCC3)cc1 ZINC000004845073 556015034 /nfs/dbraw/zinc/01/50/34/556015034.db2.gz PIYLOOYQYCNIPQ-HNNXBMFYSA-N 1 1 427.570 4.168 50 0 IIAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013775129 556307244 /nfs/dbraw/zinc/30/72/44/556307244.db2.gz ISROYEPCEPNTGG-UHFFFAOYSA-N 1 1 437.515 4.377 50 0 IIAAMO COc1cc(CN(C)Cc2ccc(C)o2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011815492 556358373 /nfs/dbraw/zinc/35/83/73/556358373.db2.gz WBJVIXGNFBZJQY-QFIPXVFZSA-N 1 1 430.589 4.233 50 0 IIAAMO COc1cc(CN(C)Cc2ccc(C)o2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011815492 556358378 /nfs/dbraw/zinc/35/83/78/556358378.db2.gz WBJVIXGNFBZJQY-QFIPXVFZSA-N 1 1 430.589 4.233 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](CNC(C)=O)C2)c(F)c1 ZINC000011816561 556359153 /nfs/dbraw/zinc/35/91/53/556359153.db2.gz QJROJJYKNFZCEF-LJQANCHMSA-N 1 1 436.531 4.035 50 0 IIAAMO COC[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011819536 556361437 /nfs/dbraw/zinc/36/14/37/556361437.db2.gz LFZKVTQJZJMDRH-SFHVURJKSA-N 1 1 432.996 4.252 50 0 IIAAMO COC[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011819536 556361441 /nfs/dbraw/zinc/36/14/41/556361441.db2.gz LFZKVTQJZJMDRH-SFHVURJKSA-N 1 1 432.996 4.252 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccccc3OC)C2)c(OC)c1 ZINC000011841945 556365447 /nfs/dbraw/zinc/36/54/47/556365447.db2.gz UGLQHBPBGUJBJY-IBGZPJMESA-N 1 1 426.557 4.021 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)c(OC)c1 ZINC000011879900 556372100 /nfs/dbraw/zinc/37/21/00/556372100.db2.gz SHZGRWNKCGPRQG-SFHVURJKSA-N 1 1 444.547 4.160 50 0 IIAAMO CN(C)c1nc(Cl)c(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)s1 ZINC000011933434 556376803 /nfs/dbraw/zinc/37/68/03/556376803.db2.gz NTSWMXXZHBXDHK-QGZVFWFLSA-N 1 1 425.017 4.388 50 0 IIAAMO CC(=O)N1CCC[N@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)CC1 ZINC000011999353 556385372 /nfs/dbraw/zinc/38/53/72/556385372.db2.gz AOAWTESZEKBTQM-UHFFFAOYSA-N 1 1 426.561 4.411 50 0 IIAAMO CC(=O)N1CCC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)CC1 ZINC000011999353 556385374 /nfs/dbraw/zinc/38/53/74/556385374.db2.gz AOAWTESZEKBTQM-UHFFFAOYSA-N 1 1 426.561 4.411 50 0 IIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000012073537 556396479 /nfs/dbraw/zinc/39/64/79/556396479.db2.gz CGLVJTCCMIKQOD-OAQYLSRUSA-N 1 1 449.595 4.416 50 0 IIAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)c1 ZINC000012996533 556431254 /nfs/dbraw/zinc/43/12/54/556431254.db2.gz DAXJCMMVBOVVBU-AREMUKBSSA-N 1 1 445.563 4.495 50 0 IIAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NC2CCCCC2)C1 ZINC000014752442 556444088 /nfs/dbraw/zinc/44/40/88/556444088.db2.gz BMDUGRASFCCZRE-FCHUYYIVSA-N 1 1 425.617 4.157 50 0 IIAAMO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014754198 556444429 /nfs/dbraw/zinc/44/44/29/556444429.db2.gz OVZFTCXEWZTXOR-VQTJNVASSA-N 1 1 426.532 4.107 50 0 IIAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000028928052 556464096 /nfs/dbraw/zinc/46/40/96/556464096.db2.gz NVRGDDYETGVWPQ-UHFFFAOYSA-N 1 1 430.476 4.001 50 0 IIAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1Cl ZINC000030955253 556517858 /nfs/dbraw/zinc/51/78/58/556517858.db2.gz KAYLKSXADOQDAT-UHFFFAOYSA-N 1 1 426.904 4.249 50 0 IIAAMO CC(C)c1ccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000030958825 556518330 /nfs/dbraw/zinc/51/83/30/556518330.db2.gz APANAKQMYDQDNN-UHFFFAOYSA-N 1 1 433.346 4.414 50 0 IIAAMO CC(C)c1ccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2Br)OCCO3)cc1 ZINC000030958825 556518333 /nfs/dbraw/zinc/51/83/33/556518333.db2.gz APANAKQMYDQDNN-UHFFFAOYSA-N 1 1 433.346 4.414 50 0 IIAAMO COc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1=O ZINC000032900660 556529879 /nfs/dbraw/zinc/52/98/79/556529879.db2.gz IWUFVVJZBKIARS-HXUWFJFHSA-N 1 1 435.568 4.451 50 0 IIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000015482217 556530518 /nfs/dbraw/zinc/53/05/18/556530518.db2.gz KBPUWBQHKXDOAJ-UHFFFAOYSA-N 1 1 436.581 4.269 50 0 IIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000015482217 556530521 /nfs/dbraw/zinc/53/05/21/556530521.db2.gz KBPUWBQHKXDOAJ-UHFFFAOYSA-N 1 1 436.581 4.269 50 0 IIAAMO C[C@@H](CNC(=O)COC(c1ccccc1)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032723864 556548047 /nfs/dbraw/zinc/54/80/47/556548047.db2.gz YFVAZKORGLRUEX-QHCPKHFHSA-N 1 1 443.591 4.120 50 0 IIAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015974969 556570405 /nfs/dbraw/zinc/57/04/05/556570405.db2.gz MEWBOSVPLKNJKU-LIONHTAISA-N 1 1 434.495 4.081 50 0 IIAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015974969 556570407 /nfs/dbraw/zinc/57/04/07/556570407.db2.gz MEWBOSVPLKNJKU-LIONHTAISA-N 1 1 434.495 4.081 50 0 IIAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c1 ZINC000016001192 556572663 /nfs/dbraw/zinc/57/26/63/556572663.db2.gz XXAKPPYKBYUAGJ-AFXVXQJMSA-N 1 1 428.532 4.434 50 0 IIAAMO CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146011 556593829 /nfs/dbraw/zinc/59/38/29/556593829.db2.gz DILLGLRMGMRCSI-SFTDATJTSA-N 1 1 437.367 4.386 50 0 IIAAMO COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000036370637 556597572 /nfs/dbraw/zinc/59/75/72/556597572.db2.gz SMDGYUXIZWCCHF-GKLUMCFYSA-N 1 1 441.524 4.414 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984072 556603261 /nfs/dbraw/zinc/60/32/61/556603261.db2.gz UPPDGSAXSCZMIE-MQMHFVAESA-N 1 1 433.552 4.443 50 0 IIAAMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4ccco4)cc3)C2)cc1 ZINC000039500890 556629608 /nfs/dbraw/zinc/62/96/08/556629608.db2.gz BPCOJDDCLWDQJL-FQEVSTJZSA-N 1 1 440.565 4.146 50 0 IIAAMO Cc1coc2cc3oc(=O)c(CC(=O)N(C)C[C@@H]4CCC[N@H+]5CCCC[C@H]45)c(C)c3cc12 ZINC000409414519 556639749 /nfs/dbraw/zinc/63/97/49/556639749.db2.gz LMRVKVODETXUDB-PGRDOPGGSA-N 1 1 436.552 4.421 50 0 biogenic IIAAMO COc1cc(CN(C)Cc2nc(C)cs2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000055131868 556735577 /nfs/dbraw/zinc/73/55/77/556735577.db2.gz LYHVPHNXZGRYRQ-OAQYLSRUSA-N 1 1 447.645 4.096 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000058169950 556767711 /nfs/dbraw/zinc/76/77/11/556767711.db2.gz PQSXDVDBONCONJ-QPPBQGQZSA-N 1 1 443.494 4.315 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000058169950 556767715 /nfs/dbraw/zinc/76/77/15/556767715.db2.gz PQSXDVDBONCONJ-QPPBQGQZSA-N 1 1 443.494 4.315 50 0 IIAAMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)c2ccc(OCCOC)c(OC)c2)cc1)C(C)C ZINC000058278149 556777227 /nfs/dbraw/zinc/77/72/27/556777227.db2.gz HQEMWGJVDNFAQH-IBGZPJMESA-N 1 1 428.573 4.442 50 0 IIAAMO CCN1CC[NH+](CCCNC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)CC1 ZINC000058776097 556791926 /nfs/dbraw/zinc/79/19/26/556791926.db2.gz LVCYQRHBYJOSTP-UHFFFAOYSA-N 1 1 436.575 4.050 50 0 IIAAMO O=C1c2cccc(N3CC[NH+](Cc4ccoc4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000059433879 556801035 /nfs/dbraw/zinc/80/10/35/556801035.db2.gz VTHPGGMWOMIRTD-UHFFFAOYSA-N 1 1 435.911 4.051 50 0 IIAAMO Cc1nc([C@@H](C)NC(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)n[nH]1 ZINC000067846801 556847277 /nfs/dbraw/zinc/84/72/77/556847277.db2.gz SBUYMQUQWZLYJY-CQSZACIVSA-N 1 1 433.984 4.147 50 0 IIAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004676126 556872570 /nfs/dbraw/zinc/87/25/70/556872570.db2.gz NNQQQZLYNBVNQY-BKSPAHHJSA-N 1 1 433.596 4.176 50 0 IIAAMO Cn1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c(-c2ccccc2)n1 ZINC000019744127 556889569 /nfs/dbraw/zinc/88/95/69/556889569.db2.gz CIXRBKMMWCOMSF-QHCPKHFHSA-N 1 1 433.575 4.013 50 0 IIAAMO O=C(Nc1ccnn1C1CC[NH+](Cc2nc(-c3ccc(F)cc3)cs2)CC1)C1CC1 ZINC000019782508 556914225 /nfs/dbraw/zinc/91/42/25/556914225.db2.gz JVJXMQJDJASCFA-UHFFFAOYSA-N 1 1 425.533 4.331 50 0 IIAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000019812753 556919525 /nfs/dbraw/zinc/91/95/25/556919525.db2.gz INALVJRNJFEHEZ-JOCHJYFZSA-N 1 1 425.596 4.383 50 0 IIAAMO Fc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000019812753 556919526 /nfs/dbraw/zinc/91/95/26/556919526.db2.gz INALVJRNJFEHEZ-JOCHJYFZSA-N 1 1 425.596 4.383 50 0 IIAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@H+](C)CCOc1ccccc1 ZINC000020254830 557003699 /nfs/dbraw/zinc/00/36/99/557003699.db2.gz CQXPVGZEVCIYPA-UHFFFAOYSA-N 1 1 448.592 4.221 50 0 IIAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@@H+](C)CCOc1ccccc1 ZINC000020254830 557003701 /nfs/dbraw/zinc/00/37/01/557003701.db2.gz CQXPVGZEVCIYPA-UHFFFAOYSA-N 1 1 448.592 4.221 50 0 IIAAMO CC(C)Sc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CC(C)(C)OC3 ZINC000020392805 557013049 /nfs/dbraw/zinc/01/30/49/557013049.db2.gz MVGJDBSLCRMTOT-UHFFFAOYSA-N 1 1 436.647 4.177 50 0 IIAAMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(-c3ccccc3OC)sc2n1 ZINC000046032210 557024526 /nfs/dbraw/zinc/02/45/26/557024526.db2.gz REVHMJRRSHJPBG-UHFFFAOYSA-N 1 1 438.528 4.378 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCC2)cc1 ZINC000023487303 557094990 /nfs/dbraw/zinc/09/49/90/557094990.db2.gz HSSTVLSZNFDQCJ-IBGZPJMESA-N 1 1 426.900 4.022 50 0 IIAAMO c1ccc(CC2CC[NH+](Cc3nc(-c4ccc(N5CCSCC5)nc4)no3)CC2)cc1 ZINC000049409729 557104900 /nfs/dbraw/zinc/10/49/00/557104900.db2.gz HDMMNJLDXHRPJD-UHFFFAOYSA-N 1 1 435.597 4.140 50 0 IIAAMO C[N@@H+](CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)[C@@H]1CCCc2ccccc21 ZINC000049590356 557116922 /nfs/dbraw/zinc/11/69/22/557116922.db2.gz YITFHQNOVPYXSY-XMMPIXPASA-N 1 1 431.536 4.256 50 0 IIAAMO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1Cl ZINC000024866005 557175257 /nfs/dbraw/zinc/17/52/57/557175257.db2.gz GGBBRPXNFSKIFG-SJCJKPOMSA-N 1 1 425.838 4.297 50 0 IIAAMO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014752802 557228025 /nfs/dbraw/zinc/22/80/25/557228025.db2.gz VVIWHASQGINIEI-PYCFMQQDSA-N 1 1 437.971 4.238 50 0 IIAAMO O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101373942 557281233 /nfs/dbraw/zinc/28/12/33/557281233.db2.gz RHNNPMNJDZIABY-UHFFFAOYSA-N 1 1 444.575 4.358 50 0 IIAAMO COCCn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC000257198980 557395382 /nfs/dbraw/zinc/39/53/82/557395382.db2.gz NXJGYADPPJAYQP-POMLREGLSA-N 1 1 433.596 4.323 50 0 biogenic IIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105010726 557472760 /nfs/dbraw/zinc/47/27/60/557472760.db2.gz YNRCAUJSRYCVRG-UKILVPOCSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105010726 557472764 /nfs/dbraw/zinc/47/27/64/557472764.db2.gz YNRCAUJSRYCVRG-UKILVPOCSA-N 1 1 447.579 4.256 50 0 IIAAMO COc1cc(CNc2nc(C)c(-c3ccn(C[C@@H]4CCC[N@@H+](C)C4)n3)s2)ccc1F ZINC000012028247 562980394 /nfs/dbraw/zinc/98/03/94/562980394.db2.gz SBWPJAYWZKIYJX-QGZVFWFLSA-N 1 1 429.565 4.417 50 0 IIAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982880 568622640 /nfs/dbraw/zinc/62/26/40/568622640.db2.gz JUIFPDABEWZFMR-DHIUTWEWSA-N 1 1 430.976 4.369 50 0 IIAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984290 568623214 /nfs/dbraw/zinc/62/32/14/568623214.db2.gz VWELLJAHZMKOKP-DHIUTWEWSA-N 1 1 430.976 4.369 50 0 IIAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985170 568623550 /nfs/dbraw/zinc/62/35/50/568623550.db2.gz ZQMAYWBZQOTNKG-FCHUYYIVSA-N 1 1 432.511 4.136 50 0 IIAAMO CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)c1=O ZINC000033298564 568626226 /nfs/dbraw/zinc/62/62/26/568626226.db2.gz XYOMMHIDJVVJTG-FQEVSTJZSA-N 1 1 446.595 4.324 50 0 IIAAMO CC[NH+]1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC3CCCCC3)s2)CC1 ZINC000064450777 568928852 /nfs/dbraw/zinc/92/88/52/568928852.db2.gz RXTPPNQKJFOXTK-UHFFFAOYSA-N 1 1 428.581 4.483 50 0 IIAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)s1 ZINC000036101331 568952532 /nfs/dbraw/zinc/95/25/32/568952532.db2.gz YCSUUXRECHFICK-NRFANRHFSA-N 1 1 425.550 4.365 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146017 568962111 /nfs/dbraw/zinc/96/21/11/568962111.db2.gz OEUVVJJOOWYKOU-YADHBBJMSA-N 1 1 434.939 4.260 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146433 568962853 /nfs/dbraw/zinc/96/28/53/568962853.db2.gz JXRLMHSLBVGCKH-AOYPEHQESA-N 1 1 448.538 4.433 50 0 IIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC ZINC000036306294 568995643 /nfs/dbraw/zinc/99/56/43/568995643.db2.gz RFGDCFCMKOHRFG-HXUWFJFHSA-N 1 1 439.556 4.107 50 0 IIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341326 569079358 /nfs/dbraw/zinc/07/93/58/569079358.db2.gz UVQYVOZIUQOAKR-JOCHJYFZSA-N 1 1 425.504 4.007 50 0 IIAAMO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCCCC2)c(OC)c1 ZINC000036343178 569079640 /nfs/dbraw/zinc/07/96/40/569079640.db2.gz QGDRQRYQZZLUCU-JOCHJYFZSA-N 1 1 425.504 4.007 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2)C1 ZINC000036344305 569080078 /nfs/dbraw/zinc/08/00/78/569080078.db2.gz CWHIBUSIEMDKFP-RDGATRHJSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2)C1 ZINC000036344305 569080079 /nfs/dbraw/zinc/08/00/79/569080079.db2.gz CWHIBUSIEMDKFP-RDGATRHJSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000036390995 569097612 /nfs/dbraw/zinc/09/76/12/569097612.db2.gz HMTASVQDFLQKID-JXFKEZNVSA-N 1 1 435.549 4.207 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000036390995 569097613 /nfs/dbraw/zinc/09/76/13/569097613.db2.gz HMTASVQDFLQKID-JXFKEZNVSA-N 1 1 435.549 4.207 50 0 IIAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CC[N@H+](Cc2ccccc2)C3)cc1C ZINC000065153601 569111985 /nfs/dbraw/zinc/11/19/85/569111985.db2.gz MCLYLRCFBQFOHT-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO CCn1cc(CC[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c2cccnc21 ZINC000065164652 569112835 /nfs/dbraw/zinc/11/28/35/569112835.db2.gz AFKOJZIYHPBJTD-UHFFFAOYSA-N 1 1 430.474 4.076 50 0 IIAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000006977112 569114687 /nfs/dbraw/zinc/11/46/87/569114687.db2.gz LOKUOSNOBFOHJQ-UHFFFAOYSA-N 1 1 426.948 4.400 50 0 IIAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000006977112 569114689 /nfs/dbraw/zinc/11/46/89/569114689.db2.gz LOKUOSNOBFOHJQ-UHFFFAOYSA-N 1 1 426.948 4.400 50 0 IIAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)n2)CC1 ZINC000065200607 569115192 /nfs/dbraw/zinc/11/51/92/569115192.db2.gz MOHHVFSQHQQPIS-UHFFFAOYSA-N 1 1 425.023 4.052 50 0 IIAAMO CCc1noc(-c2cccnc2N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000065257909 569124170 /nfs/dbraw/zinc/12/41/70/569124170.db2.gz LEQGBEQVHZBVID-UHFFFAOYSA-N 1 1 431.462 4.425 50 0 IIAAMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)o1 ZINC000089702562 569161926 /nfs/dbraw/zinc/16/19/26/569161926.db2.gz ARICPHQRPNDGQN-MRXNPFEDSA-N 1 1 429.318 4.246 50 0 IIAAMO NC(=O)CSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000089830416 569165565 /nfs/dbraw/zinc/16/55/65/569165565.db2.gz ZKRYKVSJYZUXLB-QHCPKHFHSA-N 1 1 445.588 4.045 50 0 IIAAMO NC(=O)CSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000089830416 569165567 /nfs/dbraw/zinc/16/55/67/569165567.db2.gz ZKRYKVSJYZUXLB-QHCPKHFHSA-N 1 1 445.588 4.045 50 0 IIAAMO CC[NH+]1CCN(C(=O)c2cc3occc3c(Nc3ccc(Br)c(C)c3)n2)CC1 ZINC000096323735 569178167 /nfs/dbraw/zinc/17/81/67/569178167.db2.gz YWOZGACGCHBKEU-UHFFFAOYSA-N 1 1 443.345 4.420 50 0 IIAAMO COc1cc(C(=O)OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc(Cl)c1OC(C)C ZINC000013063089 569308678 /nfs/dbraw/zinc/30/86/78/569308678.db2.gz ZUUYPWFPLWADFG-LJQANCHMSA-N 1 1 433.932 4.194 50 0 IIAAMO COc1cc(C(=O)OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(Cl)c1OC(C)C ZINC000013063089 569308679 /nfs/dbraw/zinc/30/86/79/569308679.db2.gz ZUUYPWFPLWADFG-LJQANCHMSA-N 1 1 433.932 4.194 50 0 IIAAMO COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000079025444 569322749 /nfs/dbraw/zinc/32/27/49/569322749.db2.gz UXDQAYHNJAZSSN-GJZGRUSLSA-N 1 1 441.528 4.464 50 0 IIAAMO COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000079025448 569322801 /nfs/dbraw/zinc/32/28/01/569322801.db2.gz UXDQAYHNJAZSSN-HUUCEWRRSA-N 1 1 441.528 4.464 50 0 IIAAMO Cc1coc2c1cc1c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc1c2C ZINC000079194088 569328244 /nfs/dbraw/zinc/32/82/44/569328244.db2.gz IBKWTWBXROGHHK-PGRDOPGGSA-N 1 1 436.552 4.388 50 0 biogenic IIAAMO CCOC(CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1)OCC ZINC000020240820 569357746 /nfs/dbraw/zinc/35/77/46/569357746.db2.gz GGVHMLSOCVFPAO-GOSISDBHSA-N 1 1 449.979 4.031 50 0 IIAAMO CC[N@@H+](CCC1CCN(C(=O)CCN2C(=S)N=NC2c2cccs2)CC1)CC(C)C ZINC000095983904 569378002 /nfs/dbraw/zinc/37/80/02/569378002.db2.gz RXAXNZMZKSOVQB-UHFFFAOYSA-N 1 1 449.690 4.292 50 0 IIAAMO CCCn1c(C(=O)N2CC[NH+](CC)CC2)cc2cc(NC(=O)c3cccc(F)c3)ccc21 ZINC000096278507 569389090 /nfs/dbraw/zinc/38/90/90/569389090.db2.gz HHAGDBYGFORSKN-UHFFFAOYSA-N 1 1 436.531 4.220 50 0 IIAAMO O=C(NCCc1cccs1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000096457217 569400774 /nfs/dbraw/zinc/40/07/74/569400774.db2.gz UEDKFWSYNSLDHS-NOZRDPDXSA-N 1 1 449.595 4.109 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 ZINC000670417844 569409863 /nfs/dbraw/zinc/40/98/63/569409863.db2.gz SGACHQKCZOYJAM-OSMLLJOWSA-N 1 1 441.660 4.311 50 0 IIAAMO CCOc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)n2)cc1 ZINC000029051868 569425317 /nfs/dbraw/zinc/42/53/17/569425317.db2.gz QUHLEGFLXUARBN-HXUWFJFHSA-N 1 1 442.947 4.140 50 0 IIAAMO CCOC(=O)Nc1ccc2c(C[N@H+](C)Cc3cccc(OC)c3OC)cc(=O)oc2c1 ZINC000057888778 569442441 /nfs/dbraw/zinc/44/24/41/569442441.db2.gz LAPRGZWJUWYLJX-UHFFFAOYSA-N 1 1 426.469 4.011 50 0 IIAAMO CCOC(=O)Nc1ccc2c(C[N@@H+](C)Cc3cccc(OC)c3OC)cc(=O)oc2c1 ZINC000057888778 569442442 /nfs/dbraw/zinc/44/24/42/569442442.db2.gz LAPRGZWJUWYLJX-UHFFFAOYSA-N 1 1 426.469 4.011 50 0 IIAAMO CCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c(Cl)cc12 ZINC000229708335 569461426 /nfs/dbraw/zinc/46/14/26/569461426.db2.gz SQCAWOQEOFOTCX-XLIONFOSSA-N 1 1 446.975 4.158 50 0 IIAAMO C[NH+]1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccncc2)CC1 ZINC000038546507 569463564 /nfs/dbraw/zinc/46/35/64/569463564.db2.gz XXVHEWRMWAFXJZ-JOCHJYFZSA-N 1 1 436.581 4.204 50 0 IIAAMO COc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)c1 ZINC000038546402 569463577 /nfs/dbraw/zinc/46/35/77/569463577.db2.gz BHRKXYYYOYGWSL-OAQYLSRUSA-N 1 1 425.554 4.247 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(C)c(C)sc2NC(=O)c2ccc(OC)cc2)C1 ZINC000008763683 569474498 /nfs/dbraw/zinc/47/44/98/569474498.db2.gz NAQALVNNGWXGJD-SFHVURJKSA-N 1 1 430.570 4.401 50 0 IIAAMO COc1ccc(CCNC(=O)CCCNc2cc[nH+]c3cc(Cl)ccc23)cc1OC ZINC000040090020 569487356 /nfs/dbraw/zinc/48/73/56/569487356.db2.gz RPCAHEMOFLMYMI-UHFFFAOYSA-N 1 1 427.932 4.456 50 0 IIAAMO O=S(=O)([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000040155831 569494023 /nfs/dbraw/zinc/49/40/23/569494023.db2.gz MUWKNPVLTNOKJW-HXUWFJFHSA-N 1 1 441.622 4.080 50 0 IIAAMO O=C(Cc1ccccc1)N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000009033396 569497164 /nfs/dbraw/zinc/49/71/64/569497164.db2.gz VXOCOWBDBQLXEI-YQVWRLOYSA-N 1 1 433.807 4.323 50 0 biogenic IIAAMO Cc1cc([C@H](C)NC(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)c(C)s1 ZINC000069700268 569513723 /nfs/dbraw/zinc/51/37/23/569513723.db2.gz HMXPUYASMSJOEJ-HNNXBMFYSA-N 1 1 448.564 4.048 50 0 IIAAMO C=C1C(NCCC[N@@H+](Cc2ccccc2)C(C)C)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000009286550 569519230 /nfs/dbraw/zinc/51/92/30/569519230.db2.gz ZNTBIDMKLSKEFT-UHFFFAOYSA-N 1 1 441.597 4.058 50 0 IIAAMO CC[NH+](CC)c1ccc(-n2cc3c(c2-c2ccc(Cl)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000009409452 569531022 /nfs/dbraw/zinc/53/10/22/569531022.db2.gz LQKRFVVMQGIRNG-UHFFFAOYSA-N 1 1 436.943 4.195 50 0 IIAAMO COc1ccc(-n2cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1 ZINC000009433723 569534605 /nfs/dbraw/zinc/53/46/05/569534605.db2.gz DWSAMPRXQMKWTI-BGYRXZFFSA-N 1 1 447.579 4.097 50 0 IIAAMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009647649 569556452 /nfs/dbraw/zinc/55/64/52/569556452.db2.gz AGASPZUTPHJFFV-UHFFFAOYSA-N 1 1 445.519 4.171 50 0 IIAAMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009647649 569556453 /nfs/dbraw/zinc/55/64/53/569556453.db2.gz AGASPZUTPHJFFV-UHFFFAOYSA-N 1 1 445.519 4.171 50 0 IIAAMO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000009731800 569564696 /nfs/dbraw/zinc/56/46/96/569564696.db2.gz PUHDEMYZIOXNCD-UHFFFAOYSA-N 1 1 447.023 4.364 50 0 IIAAMO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000009812389 569569117 /nfs/dbraw/zinc/56/91/17/569569117.db2.gz COWYEQSELHOPFX-IBGZPJMESA-N 1 1 434.367 4.400 50 0 IIAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000009949634 569574252 /nfs/dbraw/zinc/57/42/52/569574252.db2.gz GXBFLXHNBUUJCF-MRXNPFEDSA-N 1 1 434.565 4.240 50 0 IIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)cc1 ZINC000011027532 132337112 /nfs/dbraw/zinc/33/71/12/132337112.db2.gz KZZCVOWUUFDWPS-UHFFFAOYSA-N 1 1 437.931 4.153 50 0 IIAAMO Cc1cc(C)c(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000011664969 132338407 /nfs/dbraw/zinc/33/84/07/132338407.db2.gz OYIOYVUGXDBQKP-FQEVSTJZSA-N 1 1 435.490 4.342 50 0 IIAAMO CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccccn3)CC2)n1 ZINC000035925698 519459214 /nfs/dbraw/zinc/45/92/14/519459214.db2.gz GNCGXRMPEBYSCR-UHFFFAOYSA-N 1 1 441.583 4.121 50 0 IIAAMO C[N@@H+](CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1)C1CCCCC1 ZINC000020902658 522757419 /nfs/dbraw/zinc/75/74/19/522757419.db2.gz NIPIQBNHKQKICT-UHFFFAOYSA-N 1 1 447.627 4.475 50 0 IIAAMO C[N@@H+](CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1)Cc1ccccc1 ZINC000020980623 522767810 /nfs/dbraw/zinc/76/78/10/522767810.db2.gz YJCGNHGPRVCKGN-UHFFFAOYSA-N 1 1 431.515 4.054 50 0 IIAAMO COc1cc2cc(C[NH2+]Cc3cnn(C)c3C)c(OCc3ccc(C)cc3)nc2cc1OC ZINC000012152742 523059466 /nfs/dbraw/zinc/05/94/66/523059466.db2.gz ANUCUZASDSALDQ-UHFFFAOYSA-N 1 1 446.551 4.471 50 0 IIAAMO CCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697227 523140427 /nfs/dbraw/zinc/14/04/27/523140427.db2.gz YLPQWOZRHJKRPC-VWLOTQADSA-N 1 1 435.543 4.241 50 0 IIAAMO CCn1cc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c(C)n1 ZINC000020995049 523372415 /nfs/dbraw/zinc/37/24/15/523372415.db2.gz ORPQESXOMRTGBT-QFIPXVFZSA-N 1 1 435.538 4.017 50 0 IIAAMO CCn1cc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c(C)n1 ZINC000020995049 523372424 /nfs/dbraw/zinc/37/24/24/523372424.db2.gz ORPQESXOMRTGBT-QFIPXVFZSA-N 1 1 435.538 4.017 50 0 IIAAMO COCCN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012750754 523742516 /nfs/dbraw/zinc/74/25/16/523742516.db2.gz IYDNYOXCODPNGG-DEOSSOPVSA-N 1 1 444.623 4.200 50 0 IIAAMO COCCN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012750754 523742523 /nfs/dbraw/zinc/74/25/23/523742523.db2.gz IYDNYOXCODPNGG-DEOSSOPVSA-N 1 1 444.623 4.200 50 0 IIAAMO CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000020452930 524031730 /nfs/dbraw/zinc/03/17/30/524031730.db2.gz VSNMZBSHGDFQME-HXUWFJFHSA-N 1 1 439.991 4.006 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)c(OC)c1 ZINC000012716294 524048052 /nfs/dbraw/zinc/04/80/52/524048052.db2.gz VVQHLAYSHQSJDG-FQEVSTJZSA-N 1 1 438.568 4.215 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(OC)c1 ZINC000012583450 524048094 /nfs/dbraw/zinc/04/80/94/524048094.db2.gz SGAFDFDDHBTXMP-QGZVFWFLSA-N 1 1 432.511 4.291 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(OC)c1 ZINC000012583450 524048096 /nfs/dbraw/zinc/04/80/96/524048096.db2.gz SGAFDFDDHBTXMP-QGZVFWFLSA-N 1 1 432.511 4.291 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c(OC)c1 ZINC000012583441 524048237 /nfs/dbraw/zinc/04/82/37/524048237.db2.gz SGAFDFDDHBTXMP-KRWDZBQOSA-N 1 1 432.511 4.291 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c(OC)c1 ZINC000012583441 524048239 /nfs/dbraw/zinc/04/82/39/524048239.db2.gz SGAFDFDDHBTXMP-KRWDZBQOSA-N 1 1 432.511 4.291 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454131 524107529 /nfs/dbraw/zinc/10/75/29/524107529.db2.gz SDOGUMCYJLYUJZ-QGZVFWFLSA-N 1 1 445.007 4.054 50 0 IIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)C1 ZINC000021915658 524224097 /nfs/dbraw/zinc/22/40/97/524224097.db2.gz FXOXCYQSHFZVEL-LJQANCHMSA-N 1 1 434.540 4.021 50 0 IIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)cc1Cl ZINC000012469772 524483103 /nfs/dbraw/zinc/48/31/03/524483103.db2.gz SGNWCUTZCOMSND-HNNXBMFYSA-N 1 1 434.993 4.491 50 0 IIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)cc1Cl ZINC000012469772 524483114 /nfs/dbraw/zinc/48/31/14/524483114.db2.gz SGNWCUTZCOMSND-HNNXBMFYSA-N 1 1 434.993 4.491 50 0 IIAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2csc(C)n2)cc1)[NH+](C)C ZINC000021557069 524733308 /nfs/dbraw/zinc/73/33/08/524733308.db2.gz UGLFZVNRKXNQHZ-OAQYLSRUSA-N 1 1 425.554 4.072 50 0 IIAAMO C[C@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020857444 524990895 /nfs/dbraw/zinc/99/08/95/524990895.db2.gz KXPDHYPHPNQWGB-FDDCHVKYSA-N 1 1 425.623 4.420 50 0 IIAAMO C[C@H](NC(=S)Nc1ccc(Br)cc1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031384 525277022 /nfs/dbraw/zinc/27/70/22/525277022.db2.gz BBNVNNBGIQAVNB-OXJNMPFZSA-N 1 1 447.446 4.113 50 0 IIAAMO Cc1ccsc1C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012707006 525843711 /nfs/dbraw/zinc/84/37/11/525843711.db2.gz VEJYBVZVULSUJB-QHCPKHFHSA-N 1 1 425.642 4.393 50 0 IIAAMO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871487 526778234 /nfs/dbraw/zinc/77/82/34/526778234.db2.gz DKNUMTGHKPSIRT-RBBKRZOGSA-N 1 1 447.501 4.220 50 0 IIAAMO NC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021798134 526859023 /nfs/dbraw/zinc/85/90/23/526859023.db2.gz ZOEQUAWKMXEXHL-UHFFFAOYSA-N 1 1 431.927 4.443 50 0 IIAAMO O=C(N[C@@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccs1 ZINC000012661438 526866286 /nfs/dbraw/zinc/86/62/86/526866286.db2.gz RVESFUQJOGLCIX-ZENOOKHLSA-N 1 1 425.809 4.455 50 0 biogenic IIAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)o1 ZINC000012703762 527530582 /nfs/dbraw/zinc/53/05/82/527530582.db2.gz LUWDPLGOWNYYPW-NRFANRHFSA-N 1 1 432.977 4.030 50 0 IIAAMO OCC[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000012579846 527552242 /nfs/dbraw/zinc/55/22/42/527552242.db2.gz VCNUXPNJNVRMKM-UHFFFAOYSA-N 1 1 441.531 4.322 50 0 IIAAMO Cc1cccc(-c2noc(C[NH+]3CCC4(C[C@H]4c4nc(-c5cccnc5)no4)CC3)n2)c1 ZINC000071890635 555748477 /nfs/dbraw/zinc/74/84/77/555748477.db2.gz RQLJUFZWXWLJEI-IBGZPJMESA-N 1 1 428.496 4.260 50 0 IIAAMO Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000034675546 555794152 /nfs/dbraw/zinc/79/41/52/555794152.db2.gz YTXUYQUPYHJDNB-UHFFFAOYSA-N 1 1 441.575 4.159 50 0 IIAAMO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683310 555818761 /nfs/dbraw/zinc/81/87/61/555818761.db2.gz XTDSETKVROUINN-UHFFFAOYSA-N 1 1 426.557 4.428 50 0 IIAAMO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683361 555818808 /nfs/dbraw/zinc/81/88/08/555818808.db2.gz RGLDCQUOJODZQJ-UHFFFAOYSA-N 1 1 426.557 4.428 50 0 IIAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034683706 555819141 /nfs/dbraw/zinc/81/91/41/555819141.db2.gz ZHOIRWVNOQKYOB-UHFFFAOYSA-N 1 1 432.492 4.418 50 0 IIAAMO CCN(CC)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(N(CC)CC)[nH+]1 ZINC000004390503 555992428 /nfs/dbraw/zinc/99/24/28/555992428.db2.gz ZEJDFXZWZJXWQZ-UHFFFAOYSA-N 1 1 430.549 4.052 50 0 IIAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000013768501 556304370 /nfs/dbraw/zinc/30/43/70/556304370.db2.gz LETHRQGOKYTXCQ-HDYLNDSGSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000013768501 556304375 /nfs/dbraw/zinc/30/43/75/556304375.db2.gz LETHRQGOKYTXCQ-HDYLNDSGSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)n2)cc1OC ZINC000032759537 556319715 /nfs/dbraw/zinc/31/97/15/556319715.db2.gz ZKMNEWVBAKCZOF-QFIPXVFZSA-N 1 1 425.485 4.012 50 0 IIAAMO OCCOc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011665344 556345623 /nfs/dbraw/zinc/34/56/23/556345623.db2.gz GAURDHUVBCTIRB-VWLOTQADSA-N 1 1 437.628 4.500 50 0 IIAAMO CN(C(=O)CC[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)C1CC[NH+](C)CC1 ZINC000011717140 556348475 /nfs/dbraw/zinc/34/84/75/556348475.db2.gz WVIIMWNPIKIHCX-FQEVSTJZSA-N 1 1 440.657 4.355 50 0 IIAAMO COc1ccc(-c2n[nH]cc2CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000011819704 556361301 /nfs/dbraw/zinc/36/13/01/556361301.db2.gz LELLUXQOOMUSBO-OAQYLSRUSA-N 1 1 448.611 4.480 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(OC)c(C)c3)C2)c(OC)c1 ZINC000011842547 556365780 /nfs/dbraw/zinc/36/57/80/556365780.db2.gz GKKGXEYTZJAYBP-FQEVSTJZSA-N 1 1 440.584 4.329 50 0 IIAAMO COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CC1CC[NH+](C(C)C)CC1 ZINC000011842752 556366254 /nfs/dbraw/zinc/36/62/54/556366254.db2.gz PAPIQJMLIMUFAA-UHFFFAOYSA-N 1 1 447.639 4.023 50 0 IIAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000011873628 556369878 /nfs/dbraw/zinc/36/98/78/556369878.db2.gz QBBIXMHAVMXFJV-VWLOTQADSA-N 1 1 427.541 4.100 50 0 IIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000011905233 556373891 /nfs/dbraw/zinc/37/38/91/556373891.db2.gz HGXLJDUJHKWEBP-QGZVFWFLSA-N 1 1 430.302 4.264 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012993367 556429215 /nfs/dbraw/zinc/42/92/15/556429215.db2.gz YVHWHRGELFHRSG-UHFFFAOYSA-N 1 1 445.913 4.412 50 0 IIAAMO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014749009 556442506 /nfs/dbraw/zinc/44/25/06/556442506.db2.gz BWKDBBLUBDASMP-VQTJNVASSA-N 1 1 449.517 4.390 50 0 IIAAMO CCOCc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000014973744 556467814 /nfs/dbraw/zinc/46/78/14/556467814.db2.gz PUQOKVBXGZGCGM-HXUWFJFHSA-N 1 1 427.541 4.344 50 0 IIAAMO Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029839673 556483817 /nfs/dbraw/zinc/48/38/17/556483817.db2.gz NDRWYVUZKKNAHN-UHFFFAOYSA-N 1 1 433.600 4.126 50 0 IIAAMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000072289415 556485198 /nfs/dbraw/zinc/48/51/98/556485198.db2.gz USNZDECHRMSVRC-HSZRJFAPSA-N 1 1 434.584 4.173 50 0 IIAAMO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)c1cccc2cccnc21 ZINC000015062842 556490919 /nfs/dbraw/zinc/49/09/19/556490919.db2.gz DFEUCVZIMKQFMM-GOSISDBHSA-N 1 1 435.549 4.172 50 0 IIAAMO Cc1ccc2nc(OCc3ccccc3Cl)c(C[NH2+][C@H]3CCS(=O)(=O)C3)cc2c1 ZINC000015067127 556493366 /nfs/dbraw/zinc/49/33/66/556493366.db2.gz HYDPCVBNPRSRCV-IBGZPJMESA-N 1 1 430.957 4.052 50 0 IIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](c3nncn3C)C2)c1 ZINC000015073921 556498134 /nfs/dbraw/zinc/49/81/34/556498134.db2.gz WYLJRLMTFUZIFM-FQEVSTJZSA-N 1 1 428.540 4.056 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000015105732 556503960 /nfs/dbraw/zinc/50/39/60/556503960.db2.gz OHLWFLFQUMNPJE-QHCPKHFHSA-N 1 1 437.584 4.292 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000015105732 556503962 /nfs/dbraw/zinc/50/39/62/556503962.db2.gz OHLWFLFQUMNPJE-QHCPKHFHSA-N 1 1 437.584 4.292 50 0 IIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000013641660 556542660 /nfs/dbraw/zinc/54/26/60/556542660.db2.gz XKKLLYNVQGGPNH-UHFFFAOYSA-N 1 1 448.548 4.070 50 0 IIAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000072305624 556556054 /nfs/dbraw/zinc/55/60/54/556556054.db2.gz YADUISYPQPXAMR-DLBZAZTESA-N 1 1 442.431 4.136 50 0 IIAAMO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000016422301 556606346 /nfs/dbraw/zinc/60/63/46/556606346.db2.gz UXWHQOYVNMILAR-SFHVURJKSA-N 1 1 434.506 4.107 50 0 IIAAMO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000016422301 556606349 /nfs/dbraw/zinc/60/63/49/556606349.db2.gz UXWHQOYVNMILAR-SFHVURJKSA-N 1 1 434.506 4.107 50 0 IIAAMO Cc1ccccc1C(=O)c1cccn1CC(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C ZINC000005143268 556642333 /nfs/dbraw/zinc/64/23/33/556642333.db2.gz LQBDNWYCFAYHII-UHFFFAOYSA-N 1 1 431.580 4.444 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248150427 556669284 /nfs/dbraw/zinc/66/92/84/556669284.db2.gz GTPXADIQRVKYFE-GMAHTHKFSA-N 1 1 430.539 4.311 50 0 IIAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000011910322 556669991 /nfs/dbraw/zinc/66/99/91/556669991.db2.gz JAKSYSAYUARDAT-FQEVSTJZSA-N 1 1 426.630 4.443 50 0 IIAAMO NC(=O)[C@H]1CCC[C@@H]1Nc1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000079063962 556738169 /nfs/dbraw/zinc/73/81/69/556738169.db2.gz IATODIXGVCSAKX-HKUYNNGSSA-N 1 1 435.597 4.410 50 0 IIAAMO Cc1[nH]c(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)nc1CC(C)C ZINC000004625650 556748354 /nfs/dbraw/zinc/74/83/54/556748354.db2.gz ANELSPOGJRDKMT-UHFFFAOYSA-N 1 1 430.662 4.122 50 0 IIAAMO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000011212507 556842283 /nfs/dbraw/zinc/84/22/83/556842283.db2.gz GOTJFZTYGBAZPJ-AWEZNQCLSA-N 1 1 441.881 4.276 50 0 IIAAMO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000011212507 556842287 /nfs/dbraw/zinc/84/22/87/556842287.db2.gz GOTJFZTYGBAZPJ-AWEZNQCLSA-N 1 1 441.881 4.276 50 0 IIAAMO O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000019883940 556937873 /nfs/dbraw/zinc/93/78/73/556937873.db2.gz OFYRYBJZDWKBHJ-UHFFFAOYSA-N 1 1 448.548 4.211 50 0 IIAAMO O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000019883940 556937875 /nfs/dbraw/zinc/93/78/75/556937875.db2.gz OFYRYBJZDWKBHJ-UHFFFAOYSA-N 1 1 448.548 4.211 50 0 IIAAMO O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072442234 556973461 /nfs/dbraw/zinc/97/34/61/556973461.db2.gz CHPOLICQBOMYMA-UHFFFAOYSA-N 1 1 427.552 4.096 50 0 IIAAMO CCCSc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CC(C)(C)OC3 ZINC000020395272 557013470 /nfs/dbraw/zinc/01/34/70/557013470.db2.gz ZVFHOITYTAMWOX-UHFFFAOYSA-N 1 1 436.647 4.179 50 0 IIAAMO COc1cc(OC)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Br ZINC000022942919 557054260 /nfs/dbraw/zinc/05/42/60/557054260.db2.gz ALMFJANGVYPJGY-RMKNXTFCSA-N 1 1 431.374 4.297 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000023153489 557069774 /nfs/dbraw/zinc/06/97/74/557069774.db2.gz YZIBXSJUVCBMND-FQEVSTJZSA-N 1 1 426.992 4.076 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3sc(N(C)C)nc3Cl)C2)cc1 ZINC000023339805 557086077 /nfs/dbraw/zinc/08/60/77/557086077.db2.gz KCGOWRRVLRKRQM-GOSISDBHSA-N 1 1 437.053 4.258 50 0 IIAAMO COc1ccccc1N1CCC([N@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)CC1 ZINC000023375043 557088897 /nfs/dbraw/zinc/08/88/97/557088897.db2.gz ATKMXCNNXUOSGT-RUZDIDTESA-N 1 1 448.655 4.259 50 0 IIAAMO COc1ccc2cc([C@@]3(C)NC(=O)N(C[N@@H+]4CCC[C@@H]4c4cccs4)C3=O)ccc2c1 ZINC000023935735 557126656 /nfs/dbraw/zinc/12/66/56/557126656.db2.gz NGIVPLBWISRNAL-HYBUGGRVSA-N 1 1 435.549 4.472 50 0 IIAAMO COc1ccc2cc([C@@]3(C)NC(=O)N(C[N@H+]4CCC[C@@H]4c4cccs4)C3=O)ccc2c1 ZINC000023935735 557126659 /nfs/dbraw/zinc/12/66/59/557126659.db2.gz NGIVPLBWISRNAL-HYBUGGRVSA-N 1 1 435.549 4.472 50 0 IIAAMO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccccc1Cl ZINC000024865995 557175312 /nfs/dbraw/zinc/17/53/12/557175312.db2.gz GGBBRPXNFSKIFG-YVEFUNNKSA-N 1 1 425.838 4.297 50 0 IIAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Br ZINC000025061616 557193263 /nfs/dbraw/zinc/19/32/63/557193263.db2.gz RLBNACSXFYOTNI-INIZCTEOSA-N 1 1 430.346 4.047 50 0 IIAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Br ZINC000025061616 557193266 /nfs/dbraw/zinc/19/32/66/557193266.db2.gz RLBNACSXFYOTNI-INIZCTEOSA-N 1 1 430.346 4.047 50 0 IIAAMO CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000072305338 557283599 /nfs/dbraw/zinc/28/35/99/557283599.db2.gz ODNGNVGNXADKCK-INIZCTEOSA-N 1 1 443.569 4.070 50 0 IIAAMO Cc1cc(C)cc(C[N@H+]2CCOc3ccc(CN4CCN(c5ccccn5)CC4)cc3C2)c1 ZINC000014977443 557336245 /nfs/dbraw/zinc/33/62/45/557336245.db2.gz BTNLANFLIJXFJV-UHFFFAOYSA-N 1 1 442.607 4.415 50 0 IIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c(C)c1 ZINC000247874909 557373091 /nfs/dbraw/zinc/37/30/91/557373091.db2.gz NOGABQKHFOYBGO-GSPCLOLRSA-N 1 1 428.532 4.434 50 0 IIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)CC ZINC000105002692 557470226 /nfs/dbraw/zinc/47/02/26/557470226.db2.gz NUBJGLANUMUIIK-IFMALSPDSA-N 1 1 444.641 4.353 50 0 IIAAMO C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000105628465 557509390 /nfs/dbraw/zinc/50/93/90/557509390.db2.gz LDRFRZYNRMYQAY-ROUUACIJSA-N 1 1 427.976 4.007 50 0 IIAAMO CCc1ccccc1NC(=O)CN(C)C(=O)C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC000006510680 557512243 /nfs/dbraw/zinc/51/22/43/557512243.db2.gz BHPWQOWJCWBCJA-UHFFFAOYSA-N 1 1 429.564 4.367 50 0 IIAAMO CCc1ccccc1NC(=O)CN(C)C(=O)C[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC000006510680 557512245 /nfs/dbraw/zinc/51/22/45/557512245.db2.gz BHPWQOWJCWBCJA-UHFFFAOYSA-N 1 1 429.564 4.367 50 0 IIAAMO COc1ccc([C@@H]2[C@H](COC(=O)c3cc(N4CCOC4=O)ccc3F)CCC[N@H+]2C)cc1 ZINC000107067843 557534602 /nfs/dbraw/zinc/53/46/02/557534602.db2.gz WNDXHJZUXMJBKW-HTAPYJJXSA-N 1 1 442.487 4.031 50 0 IIAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)n2)C1 ZINC000045946313 557550875 /nfs/dbraw/zinc/55/08/75/557550875.db2.gz YOEUYHCDYHJINY-HOTGVXAUSA-N 1 1 436.622 4.207 50 0 IIAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000229982075 557834711 /nfs/dbraw/zinc/83/47/11/557834711.db2.gz ZFEWDPAJNNOVCY-DNQXCXABSA-N 1 1 431.580 4.375 50 0 IIAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1cccc(C(F)(F)F)c1 ZINC000238937436 557842008 /nfs/dbraw/zinc/84/20/08/557842008.db2.gz VJYXGAZNXULYBW-INIZCTEOSA-N 1 1 438.833 4.498 50 0 IIAAMO Cc1ccc(C[S@](=O)Cc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000006895697 562948549 /nfs/dbraw/zinc/94/85/49/562948549.db2.gz GHCZJYSPIBXNMP-SSEXGKCCSA-N 1 1 428.598 4.127 50 0 IIAAMO COc1cc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc(OC)c1 ZINC000008583924 562949939 /nfs/dbraw/zinc/94/99/39/562949939.db2.gz KYOQFBMBDIWORM-HNNXBMFYSA-N 1 1 440.569 4.427 50 0 IIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccccc1 ZINC000008642517 562960142 /nfs/dbraw/zinc/96/01/42/562960142.db2.gz RNXGKDMTHSZFKJ-NRFANRHFSA-N 1 1 449.532 4.393 50 0 IIAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccccc1 ZINC000008642517 562960143 /nfs/dbraw/zinc/96/01/43/562960143.db2.gz RNXGKDMTHSZFKJ-NRFANRHFSA-N 1 1 449.532 4.393 50 0 IIAAMO Cc1ccc(Sc2ccc(NC(=O)CN3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)c(C)c1 ZINC000022928471 568612896 /nfs/dbraw/zinc/61/28/96/568612896.db2.gz CMTQAVCUAOMJCY-QFIPXVFZSA-N 1 1 439.625 4.190 50 0 IIAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984482 568623207 /nfs/dbraw/zinc/62/32/07/568623207.db2.gz YPXJQBYYVQCWND-FCHUYYIVSA-N 1 1 432.511 4.136 50 0 IIAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1C ZINC000015671323 568802865 /nfs/dbraw/zinc/80/28/65/568802865.db2.gz UZUUGSOMFSYIHY-UHFFFAOYSA-N 1 1 425.558 4.321 50 0 IIAAMO Cc1ccc2ccc3cc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)[nH]c3c2n1 ZINC000085577764 568825343 /nfs/dbraw/zinc/82/53/43/568825343.db2.gz URVKSCNAKBEKIU-UHFFFAOYSA-N 1 1 445.542 4.106 50 0 IIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000085878451 568838805 /nfs/dbraw/zinc/83/88/05/568838805.db2.gz BZPVUUPMUCBILY-LAUBAEHRSA-N 1 1 427.495 4.211 50 0 biogenic IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868566 568851919 /nfs/dbraw/zinc/85/19/19/568851919.db2.gz DAMBHQPQEUJWIB-JOCHJYFZSA-N 1 1 438.616 4.181 50 0 IIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1C ZINC000245309748 568914266 /nfs/dbraw/zinc/91/42/66/568914266.db2.gz FYLCRYPUYAAHSU-WBADGQHESA-N 1 1 428.532 4.434 50 0 IIAAMO CCOC(=O)c1c(C[NH+]2CCC(C(=O)OC)CC2)nc2ccccc2c1-c1ccccc1 ZINC000016517142 568920542 /nfs/dbraw/zinc/92/05/42/568920542.db2.gz NKUMYVUJTONRTO-UHFFFAOYSA-N 1 1 432.520 4.464 50 0 IIAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063949 568945111 /nfs/dbraw/zinc/94/51/11/568945111.db2.gz JYJXTTTUPQDWMQ-GHTZIAJQSA-N 1 1 429.561 4.029 50 0 IIAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063949 568945112 /nfs/dbraw/zinc/94/51/12/568945112.db2.gz JYJXTTTUPQDWMQ-GHTZIAJQSA-N 1 1 429.561 4.029 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)c1 ZINC000036098457 568951787 /nfs/dbraw/zinc/95/17/87/568951787.db2.gz RFXXJFMCGHMBMB-HSZRJFAPSA-N 1 1 435.520 4.004 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102308 568952664 /nfs/dbraw/zinc/95/26/64/568952664.db2.gz NXSWIEPEWREQHE-HSZRJFAPSA-N 1 1 435.520 4.004 50 0 IIAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)cc1 ZINC000064801580 568961582 /nfs/dbraw/zinc/96/15/82/568961582.db2.gz PCPJHXPZSASHOU-UHFFFAOYSA-N 1 1 434.500 4.018 50 0 IIAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(OC)cc3C)cc2)cc(C)[nH+]1 ZINC000064802072 568961888 /nfs/dbraw/zinc/96/18/88/568961888.db2.gz KJHUSTLGLWWGHH-UHFFFAOYSA-N 1 1 441.557 4.387 50 0 IIAAMO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000064820234 568966913 /nfs/dbraw/zinc/96/69/13/568966913.db2.gz QSBMVXZUMUYXBJ-UHFFFAOYSA-N 1 1 426.380 4.468 50 0 IIAAMO C[C@H](NC(=O)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169678512 568989879 /nfs/dbraw/zinc/98/98/79/568989879.db2.gz DXJUHIVEXNDUNR-NOOLENRPSA-N 1 1 425.576 4.427 50 0 IIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](C)O ZINC000036303501 568993777 /nfs/dbraw/zinc/99/37/77/568993777.db2.gz VHJWJULAHVGMLA-QGZVFWFLSA-N 1 1 429.948 4.456 50 0 IIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](C)O ZINC000036303501 568993780 /nfs/dbraw/zinc/99/37/80/568993780.db2.gz VHJWJULAHVGMLA-QGZVFWFLSA-N 1 1 429.948 4.456 50 0 IIAAMO CCC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309076 568995589 /nfs/dbraw/zinc/99/55/89/568995589.db2.gz JDZXGQRHJNQYGL-OFNKIYASSA-N 1 1 442.625 4.126 50 0 IIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341330 569079394 /nfs/dbraw/zinc/07/93/94/569079394.db2.gz SGFUTCSASPHGSN-SBUREZEXSA-N 1 1 439.531 4.395 50 0 IIAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036342830 569079471 /nfs/dbraw/zinc/07/94/71/569079471.db2.gz FUNUZCULJDXLKZ-RUZDIDTESA-N 1 1 447.579 4.128 50 0 IIAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CC[N@H+](Cc2ccccc2)C3)c(F)c1 ZINC000065153620 569112044 /nfs/dbraw/zinc/11/20/44/569112044.db2.gz STSQAFDJFIXPLT-UHFFFAOYSA-N 1 1 448.542 4.011 50 0 IIAAMO CCn1cc(CC[NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c2cccnc21 ZINC000065164651 569112814 /nfs/dbraw/zinc/11/28/14/569112814.db2.gz WIINVCUUUYPRMK-UHFFFAOYSA-N 1 1 430.474 4.076 50 0 IIAAMO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)NCc1ccc(Cl)cc1 ZINC000065184234 569114070 /nfs/dbraw/zinc/11/40/70/569114070.db2.gz BUIWVTHDTIERNS-UHFFFAOYSA-N 1 1 428.895 4.025 50 0 IIAAMO Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000065240962 569120846 /nfs/dbraw/zinc/12/08/46/569120846.db2.gz IJUSYAHBGIYNQO-UHFFFAOYSA-N 1 1 425.602 4.463 50 0 IIAAMO Cc1noc2nc(C)cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000014204917 569158111 /nfs/dbraw/zinc/15/81/11/569158111.db2.gz VSDFFOQGVSJJHC-UHFFFAOYSA-N 1 1 426.520 4.387 50 0 IIAAMO COc1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016891270 569165723 /nfs/dbraw/zinc/16/57/23/569165723.db2.gz GOBFYLIDZNMIAP-CYFREDJKSA-N 1 1 435.593 4.439 50 0 IIAAMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)CCCC2 ZINC000089905066 569167134 /nfs/dbraw/zinc/16/71/34/569167134.db2.gz NEFHOOWMPJESDE-JTSKRJEESA-N 1 1 437.550 4.234 50 0 IIAAMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)CCCC2 ZINC000089905068 569167220 /nfs/dbraw/zinc/16/72/20/569167220.db2.gz NEFHOOWMPJESDE-HTAPYJJXSA-N 1 1 437.550 4.234 50 0 IIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000017012321 569170491 /nfs/dbraw/zinc/17/04/91/569170491.db2.gz HVPKIWUNAUPFBI-UHFFFAOYSA-N 1 1 437.931 4.153 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524004 569198447 /nfs/dbraw/zinc/19/84/47/569198447.db2.gz WYISCOCJHXSOHA-ZCYQVOJMSA-N 1 1 426.576 4.481 50 0 IIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c(C)c1 ZINC000002381450 569292608 /nfs/dbraw/zinc/29/26/08/569292608.db2.gz NOGABQKHFOYBGO-BJESRGMDSA-N 1 1 428.532 4.434 50 0 IIAAMO C[N@H+](Cc1cccc(Cl)c1)[C@H]1c2ccccc2C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000013137854 569311703 /nfs/dbraw/zinc/31/17/03/569311703.db2.gz ZLAZUWXJRJVJDH-GOTSBHOMSA-N 1 1 426.969 4.416 50 0 IIAAMO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1c2ccccc2C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000013137854 569311704 /nfs/dbraw/zinc/31/17/04/569311704.db2.gz ZLAZUWXJRJVJDH-GOTSBHOMSA-N 1 1 426.969 4.416 50 0 IIAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 ZINC000079076012 569324741 /nfs/dbraw/zinc/32/47/41/569324741.db2.gz BXPRDFORAHFHQC-UHFFFAOYSA-N 1 1 447.583 4.235 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000020105251 569334307 /nfs/dbraw/zinc/33/43/07/569334307.db2.gz QFUPIPLZOFLCHW-LJQANCHMSA-N 1 1 441.645 4.064 50 0 IIAAMO CCOC(CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1)OCC ZINC000020240951 569357764 /nfs/dbraw/zinc/35/77/64/569357764.db2.gz LZHWWHTWPLCMNG-SFHVURJKSA-N 1 1 449.979 4.031 50 0 IIAAMO COc1ccc(/C=C/C(=O)NCCCN2CCC([N@@H+](C)C3CCCCCC3)CC2)cc1 ZINC000020241362 569357883 /nfs/dbraw/zinc/35/78/83/569357883.db2.gz VFASEOXCQGOZJD-NTCAYCPXSA-N 1 1 427.633 4.334 50 0 biogenic IIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000020508327 569369660 /nfs/dbraw/zinc/36/96/60/569369660.db2.gz NOQABQGBSTZXBC-YFXJRYMSSA-N 1 1 439.625 4.285 50 0 IIAAMO C[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000095469131 569371363 /nfs/dbraw/zinc/37/13/63/569371363.db2.gz WJBZKIMZARVSQZ-ZIAGYGMSSA-N 1 1 432.918 4.325 50 0 IIAAMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](C)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000095991548 569378245 /nfs/dbraw/zinc/37/82/45/569378245.db2.gz YGVHUMJIIPMPEH-OAHLLOKOSA-N 1 1 434.367 4.400 50 0 IIAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C(C)C)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275730 569388396 /nfs/dbraw/zinc/38/83/96/569388396.db2.gz JYQPJSJDULDEJA-UHFFFAOYSA-N 1 1 446.595 4.370 50 0 IIAAMO CC(C)[C@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000029118901 569427226 /nfs/dbraw/zinc/42/72/26/569427226.db2.gz JJDNJJCFCKLBKB-QFIPXVFZSA-N 1 1 434.506 4.126 50 0 IIAAMO CC(C)[C@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000029118901 569427228 /nfs/dbraw/zinc/42/72/28/569427228.db2.gz JJDNJJCFCKLBKB-QFIPXVFZSA-N 1 1 434.506 4.126 50 0 IIAAMO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955160 569451625 /nfs/dbraw/zinc/45/16/25/569451625.db2.gz VUANMQGBPCDVAQ-UHFFFAOYSA-N 1 1 441.329 4.350 50 0 IIAAMO Cc1ccc(-c2cc3c(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nccn3n2)c(C)c1 ZINC000067285092 569466787 /nfs/dbraw/zinc/46/67/87/569466787.db2.gz ATARAQGDZHSOHE-UHFFFAOYSA-N 1 1 441.535 4.064 50 0 IIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000008912704 569485125 /nfs/dbraw/zinc/48/51/25/569485125.db2.gz LHODTAJHEFYIES-UHFFFAOYSA-N 1 1 434.609 4.465 50 0 IIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)C1CCCCC1 ZINC000008912755 569485130 /nfs/dbraw/zinc/48/51/30/569485130.db2.gz JDVBVWWRFHNWQC-GOSISDBHSA-N 1 1 444.645 4.296 50 0 IIAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000009069197 569499996 /nfs/dbraw/zinc/49/99/96/569499996.db2.gz NNSJMUIDCOIZKB-UHFFFAOYSA-N 1 1 435.446 4.183 50 0 IIAAMO C=C1C(NC2CC[NH+](Cc3ccccc3)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000009286684 569519266 /nfs/dbraw/zinc/51/92/66/569519266.db2.gz ZPYNDVKMXAFEIX-UHFFFAOYSA-N 1 1 429.973 4.067 50 0 IIAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009424178 569533076 /nfs/dbraw/zinc/53/30/76/569533076.db2.gz RFXOJHQVLYXJDW-KEZOAJOQSA-N 1 1 426.516 4.213 50 0 IIAAMO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009424178 569533077 /nfs/dbraw/zinc/53/30/77/569533077.db2.gz RFXOJHQVLYXJDW-KEZOAJOQSA-N 1 1 426.516 4.213 50 0 IIAAMO Cc1nonc1N1CC[NH+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 ZINC000055227659 569587229 /nfs/dbraw/zinc/58/72/29/569587229.db2.gz WRMRDFMBXMIKAY-UHFFFAOYSA-N 1 1 428.540 4.170 50 0 IIAAMO CCN(CC)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036250141 569587980 /nfs/dbraw/zinc/58/79/80/569587980.db2.gz IJHBGQUKFZDQMB-HXUWFJFHSA-N 1 1 440.415 4.178 50 0 IIAAMO CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(N2CC[NH+](C)CC2)n1)CCC4 ZINC000005047380 132274878 /nfs/dbraw/zinc/27/48/78/132274878.db2.gz VWCYLOAMTMOWJU-UHFFFAOYSA-N 1 1 427.643 4.400 50 0 IIAAMO Clc1ccccc1Cn1ncc2c1ncnc2N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000008843970 132295899 /nfs/dbraw/zinc/29/58/99/132295899.db2.gz HYLMWEUAJAPZNU-RMKNXTFCSA-N 1 1 444.970 4.363 50 0 IIAAMO C[NH+]1CCN(c2ncnc3c2sc2nc(-c4ccco4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000009109026 132303050 /nfs/dbraw/zinc/30/30/50/132303050.db2.gz IROUVZCXMIOKLJ-UHFFFAOYSA-N 1 1 435.553 4.103 50 0 IIAAMO Brc1ccc(-c2csc3ncnc(NCCC[NH+]4CCOCC4)c23)cc1 ZINC000012755136 518207433 /nfs/dbraw/zinc/20/74/33/518207433.db2.gz RFWUNHAWVLAPPF-UHFFFAOYSA-N 1 1 433.375 4.255 50 0 IIAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000012130981 519686647 /nfs/dbraw/zinc/68/66/47/519686647.db2.gz LUTAUWIHFRRNRU-VWLOTQADSA-N 1 1 445.611 4.192 50 0 IIAAMO CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000021004313 519714551 /nfs/dbraw/zinc/71/45/51/519714551.db2.gz NOTUJTRQFQHMPD-UHFFFAOYSA-N 1 1 427.548 4.121 50 0 IIAAMO CCN(CC)c1cc(C(C)C)nc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000036029273 520876195 /nfs/dbraw/zinc/87/61/95/520876195.db2.gz DBAWPJRSSHFOIT-UHFFFAOYSA-N 1 1 441.645 4.126 50 0 IIAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000035924680 521311939 /nfs/dbraw/zinc/31/19/39/521311939.db2.gz SVMLQEGXLLIXCL-UHFFFAOYSA-N 1 1 441.583 4.184 50 0 IIAAMO CCCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(Cl)cc12 ZINC000012296311 521347797 /nfs/dbraw/zinc/34/77/97/521347797.db2.gz SQCAWOQEOFOTCX-FXAWDEMLSA-N 1 1 446.975 4.158 50 0 biogenic IIAAMO CCCn1c2ccccc2nc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)c1=O ZINC000033298527 521638680 /nfs/dbraw/zinc/63/86/80/521638680.db2.gz QDJPJAFOVMIXEA-LJQANCHMSA-N 1 1 432.568 4.078 50 0 IIAAMO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1ccccc1Cl ZINC000012789537 522679161 /nfs/dbraw/zinc/67/91/61/522679161.db2.gz ZVCJQUJTMHKHEM-UHFFFAOYSA-N 1 1 442.716 4.141 50 0 IIAAMO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1ccccc1Cl ZINC000012789537 522679173 /nfs/dbraw/zinc/67/91/73/522679173.db2.gz ZVCJQUJTMHKHEM-UHFFFAOYSA-N 1 1 442.716 4.141 50 0 IIAAMO COCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000012431369 522969723 /nfs/dbraw/zinc/96/97/23/522969723.db2.gz QDHPGEPGOTVXHU-JOCHJYFZSA-N 1 1 430.564 4.458 50 0 IIAAMO COCc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000012431369 522969738 /nfs/dbraw/zinc/96/97/38/522969738.db2.gz QDHPGEPGOTVXHU-JOCHJYFZSA-N 1 1 430.564 4.458 50 0 IIAAMO CCn1cc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)cc2)c2ccccc21 ZINC000035800836 523461528 /nfs/dbraw/zinc/46/15/28/523461528.db2.gz UOTNCDKXNNEUJT-DEOSSOPVSA-N 1 1 433.596 4.330 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000012592368 524048071 /nfs/dbraw/zinc/04/80/71/524048071.db2.gz ISNNLAQADRSGQO-QGZVFWFLSA-N 1 1 432.511 4.291 50 0 IIAAMO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000012756388 524064023 /nfs/dbraw/zinc/06/40/23/524064023.db2.gz HAZRGKGUKUNVCT-INIZCTEOSA-N 1 1 439.581 4.198 50 0 IIAAMO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022810945 524322913 /nfs/dbraw/zinc/32/29/13/524322913.db2.gz SKTKODIABOQZAQ-SIKLNZKXSA-N 1 1 426.630 4.047 50 0 IIAAMO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccc(Cl)cc2)o1 ZINC000036031143 524420068 /nfs/dbraw/zinc/42/00/68/524420068.db2.gz QFPXEHKLPVOXRR-IBGZPJMESA-N 1 1 429.900 4.412 50 0 IIAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccc(Cl)cc2)o1 ZINC000036031143 524420077 /nfs/dbraw/zinc/42/00/77/524420077.db2.gz QFPXEHKLPVOXRR-IBGZPJMESA-N 1 1 429.900 4.412 50 0 IIAAMO COc1ccccc1[C@@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)[NH+](C)C ZINC000022679201 524734100 /nfs/dbraw/zinc/73/41/00/524734100.db2.gz BLBZVSBGDQZXFX-HXUWFJFHSA-N 1 1 446.638 4.362 50 0 IIAAMO C[C@@H](NC(=O)Cc1cccs1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020857449 525138087 /nfs/dbraw/zinc/13/80/87/525138087.db2.gz KXPDHYPHPNQWGB-JPYJTQIMSA-N 1 1 425.623 4.420 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000012799920 525408839 /nfs/dbraw/zinc/40/88/39/525408839.db2.gz MDOGDKZBQVFSEQ-JOCHJYFZSA-N 1 1 425.529 4.218 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000012799920 525408846 /nfs/dbraw/zinc/40/88/46/525408846.db2.gz MDOGDKZBQVFSEQ-JOCHJYFZSA-N 1 1 425.529 4.218 50 0 IIAAMO Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3NCCC[NH+]2CCOCC2)cc1 ZINC000021799434 525710004 /nfs/dbraw/zinc/71/00/04/525710004.db2.gz IVIVEFQUEBYSMZ-UHFFFAOYSA-N 1 1 433.478 4.166 50 0 IIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCC[C@H]2CCNC(C)=O)c1 ZINC000012718259 525729870 /nfs/dbraw/zinc/72/98/70/525729870.db2.gz ARDKMSQFALDPKT-QHCPKHFHSA-N 1 1 432.568 4.429 50 0 IIAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2cccs2)cc1 ZINC000012911653 525772905 /nfs/dbraw/zinc/77/29/05/525772905.db2.gz LTAWJRURSHNTHZ-OAQYLSRUSA-N 1 1 439.606 4.413 50 0 IIAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012821542 526127918 /nfs/dbraw/zinc/12/79/18/526127918.db2.gz QOCITECVVVPNRP-OAHLLOKOSA-N 1 1 434.367 4.349 50 0 IIAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4cc5c(cc4Cl)OCO5)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012476733 526162294 /nfs/dbraw/zinc/16/22/94/526162294.db2.gz DORQGDVPPGSMPR-FAHJTYSBSA-N 1 1 426.900 4.020 50 0 IIAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4cc5c(cc4Cl)OCO5)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012476733 526162308 /nfs/dbraw/zinc/16/23/08/526162308.db2.gz DORQGDVPPGSMPR-FAHJTYSBSA-N 1 1 426.900 4.020 50 0 IIAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012878511 526168867 /nfs/dbraw/zinc/16/88/67/526168867.db2.gz PUHYOTJSEIQUBB-MRXNPFEDSA-N 1 1 430.346 4.047 50 0 IIAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012878511 526168875 /nfs/dbraw/zinc/16/88/75/526168875.db2.gz PUHYOTJSEIQUBB-MRXNPFEDSA-N 1 1 430.346 4.047 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153426 526247446 /nfs/dbraw/zinc/24/74/46/526247446.db2.gz XLHOUZNNIGKFCX-AWEZNQCLSA-N 1 1 432.590 4.456 50 0 IIAAMO O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NCCC[NH+]1CCOCC1 ZINC000020515612 526635975 /nfs/dbraw/zinc/63/59/75/526635975.db2.gz VJVBPDFNMAJVAV-UHFFFAOYSA-N 1 1 439.987 4.114 50 0 IIAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000035893716 526674452 /nfs/dbraw/zinc/67/44/52/526674452.db2.gz NOLLZUXNQXRROR-AHWVRZQESA-N 1 1 429.539 4.005 50 0 IIAAMO Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c12 ZINC000012776940 526678214 /nfs/dbraw/zinc/67/82/14/526678214.db2.gz OODRREXOXGCPBC-QFIPXVFZSA-N 1 1 430.483 4.466 50 0 IIAAMO Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c12 ZINC000012776940 526678222 /nfs/dbraw/zinc/67/82/22/526678222.db2.gz OODRREXOXGCPBC-QFIPXVFZSA-N 1 1 430.483 4.466 50 0 IIAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000012909735 526887515 /nfs/dbraw/zinc/88/75/15/526887515.db2.gz XVFWPQAZSAWKNS-XMMPIXPASA-N 1 1 439.556 4.037 50 0 IIAAMO C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2-c2cccc(Cl)c2)CCCCC4)CC1 ZINC000002219106 536425862 /nfs/dbraw/zinc/42/58/62/536425862.db2.gz VDIMMEVBBBXUAF-UHFFFAOYSA-N 1 1 428.989 4.121 50 0 IIAAMO COc1ccc(CCC2CC[NH+]([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000004738662 556008828 /nfs/dbraw/zinc/00/88/28/556008828.db2.gz MVWAIEMDFNJRSM-QFIPXVFZSA-N 1 1 426.944 4.325 50 0 IIAAMO CCN(CC)CC(=O)Nc1ccc(Oc2ccc(NC(=O)C[NH+](CC)CC)cc2)cc1 ZINC000004990721 556025851 /nfs/dbraw/zinc/02/58/51/556025851.db2.gz YTNVBTZPJWURHB-UHFFFAOYSA-N 1 1 426.561 4.040 50 0 IIAAMO FC(F)(F)c1ccc(Cl)c(NC(=S)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000013723866 556291866 /nfs/dbraw/zinc/29/18/66/556291866.db2.gz FUYPWWAFGFPOCC-UHFFFAOYSA-N 1 1 428.911 4.311 50 0 IIAAMO COc1ccc(CC[N@@H+](C)CCC(=O)Nc2ccc(Br)c(C)c2)cc1OC ZINC000010077036 556325100 /nfs/dbraw/zinc/32/51/00/556325100.db2.gz QFBJEHWLNGCHLW-UHFFFAOYSA-N 1 1 435.362 4.278 50 0 IIAAMO Cc1[nH+]ccn1CC[C@@H](NC(=O)c1cn(Cc2ccccc2Cl)nn1)c1ccccc1 ZINC000011661613 556343141 /nfs/dbraw/zinc/34/31/41/556343141.db2.gz ILUKBAIDOXJAOR-OAQYLSRUSA-N 1 1 434.931 4.046 50 0 IIAAMO O=C(c1nc2sccn2c1C[NH+]1CCC(OCc2ccccc2)CC1)N1CCCCC1 ZINC000011664525 556345368 /nfs/dbraw/zinc/34/53/68/556345368.db2.gz TWUGCMBPVZTLAE-UHFFFAOYSA-N 1 1 438.597 4.203 50 0 IIAAMO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011698546 556346801 /nfs/dbraw/zinc/34/68/01/556346801.db2.gz RXAMPQMIJXZLCC-FQEVSTJZSA-N 1 1 430.564 4.238 50 0 IIAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013986332 556351825 /nfs/dbraw/zinc/35/18/25/556351825.db2.gz RYGOEUQVJYQQQX-UKILVPOCSA-N 1 1 426.516 4.145 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(OC)c(C)c3)C2)c(OC)c1 ZINC000011842546 556365727 /nfs/dbraw/zinc/36/57/27/556365727.db2.gz GKKGXEYTZJAYBP-HXUWFJFHSA-N 1 1 440.584 4.329 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)c(OC)c1 ZINC000011878387 556370967 /nfs/dbraw/zinc/37/09/67/556370967.db2.gz FBIXUFFHGSQSBH-SFHVURJKSA-N 1 1 444.597 4.277 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)c(OC)c1 ZINC000011878387 556370970 /nfs/dbraw/zinc/37/09/70/556370970.db2.gz FBIXUFFHGSQSBH-SFHVURJKSA-N 1 1 444.597 4.277 50 0 IIAAMO O=C(Cc1ccc2c(c1)OCO2)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011933774 556377346 /nfs/dbraw/zinc/37/73/46/556377346.db2.gz BHOBKDNBDLHGAH-QHCPKHFHSA-N 1 1 449.595 4.426 50 0 IIAAMO Cc1cc(C)n(CC[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000011949824 556380351 /nfs/dbraw/zinc/38/03/51/556380351.db2.gz IPKDGDBKBGCVHA-UHFFFAOYSA-N 1 1 443.551 4.272 50 0 IIAAMO CN(Cc1nc2ccccc2o1)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012075751 556397439 /nfs/dbraw/zinc/39/74/39/556397439.db2.gz CZPJYBSAINTFTI-JOCHJYFZSA-N 1 1 437.584 4.464 50 0 IIAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014532966 556421607 /nfs/dbraw/zinc/42/16/07/556421607.db2.gz MVPXUHDYVJPBLF-BJKOFHAPSA-N 1 1 447.554 4.097 50 0 IIAAMO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1nccs1)CC2 ZINC000014743967 556439989 /nfs/dbraw/zinc/43/99/89/556439989.db2.gz KHDAVRIURXTAAI-UHFFFAOYSA-N 1 1 434.565 4.115 50 0 IIAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014879875 556453278 /nfs/dbraw/zinc/45/32/78/556453278.db2.gz WYVHNOKIWDNRCP-DEOSSOPVSA-N 1 1 431.584 4.227 50 0 IIAAMO C[N@H+](CCC(=O)Nc1ccnn1C1CCCC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028894607 556463533 /nfs/dbraw/zinc/46/35/33/556463533.db2.gz GXHDZAOKUCZMGX-UHFFFAOYSA-N 1 1 438.359 4.204 50 0 IIAAMO C[N@@H+](CCC(=O)Nc1ccnn1C1CCCC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028894607 556463536 /nfs/dbraw/zinc/46/35/36/556463536.db2.gz GXHDZAOKUCZMGX-UHFFFAOYSA-N 1 1 438.359 4.204 50 0 IIAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000014985595 556472338 /nfs/dbraw/zinc/47/23/38/556472338.db2.gz MEVQWOSBFDGJMC-PXNSSMCTSA-N 1 1 428.989 4.476 50 0 IIAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(Cl)c1 ZINC000014985595 556472341 /nfs/dbraw/zinc/47/23/41/556472341.db2.gz MEVQWOSBFDGJMC-PXNSSMCTSA-N 1 1 428.989 4.476 50 0 IIAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)CC2 ZINC000013147993 556489360 /nfs/dbraw/zinc/48/93/60/556489360.db2.gz KQJMRZOIRHOQNU-XMMPIXPASA-N 1 1 433.548 4.229 50 0 IIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)sc2C1 ZINC000032888173 556510448 /nfs/dbraw/zinc/51/04/48/556510448.db2.gz LCMILMLSSXONPC-UHFFFAOYSA-N 1 1 432.553 4.031 50 0 IIAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc(-c4ccccc4)nc4c3c(C)nn4C)sc2C1 ZINC000032888173 556510449 /nfs/dbraw/zinc/51/04/49/556510449.db2.gz LCMILMLSSXONPC-UHFFFAOYSA-N 1 1 432.553 4.031 50 0 IIAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000072303677 556547924 /nfs/dbraw/zinc/54/79/24/556547924.db2.gz WEVFEZHVTPNGLS-IBGZPJMESA-N 1 1 439.556 4.455 50 0 IIAAMO COCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1cc(C)ccc1C ZINC000033436918 556564359 /nfs/dbraw/zinc/56/43/59/556564359.db2.gz ROSVPAITKQQWEB-RUZDIDTESA-N 1 1 442.625 4.425 50 0 IIAAMO COCCC[N@H+]1CCCN([C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)CC1 ZINC000072308505 556565242 /nfs/dbraw/zinc/56/52/42/556565242.db2.gz YROVAUOQIXSKLJ-QHCPKHFHSA-N 1 1 445.991 4.073 50 0 IIAAMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034867719 556584655 /nfs/dbraw/zinc/58/46/55/556584655.db2.gz KELYDPDZFFHFEC-CVEARBPZSA-N 1 1 430.346 4.127 50 0 IIAAMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000252489388 556690176 /nfs/dbraw/zinc/69/01/76/556690176.db2.gz JPUUZIVPOXBCIV-XXMUNEJQSA-N 1 1 448.654 4.365 50 0 IIAAMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000252489388 556690180 /nfs/dbraw/zinc/69/01/80/556690180.db2.gz JPUUZIVPOXBCIV-XXMUNEJQSA-N 1 1 448.654 4.365 50 0 IIAAMO CC[N@H+](Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)Cc1ccncc1 ZINC000055072248 556733541 /nfs/dbraw/zinc/73/35/41/556733541.db2.gz SFJIENZSWARCHX-UHFFFAOYSA-N 1 1 441.579 4.375 50 0 IIAAMO CC[N@@H+](Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)Cc1ccncc1 ZINC000055072248 556733546 /nfs/dbraw/zinc/73/35/46/556733546.db2.gz SFJIENZSWARCHX-UHFFFAOYSA-N 1 1 441.579 4.375 50 0 IIAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000055091115 556734425 /nfs/dbraw/zinc/73/44/25/556734425.db2.gz QATDKMWNIKZAST-SFHVURJKSA-N 1 1 447.501 4.141 50 0 IIAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2)cc1 ZINC000058170513 556767944 /nfs/dbraw/zinc/76/79/44/556767944.db2.gz KHVFMTFAZHPBRN-DEOSSOPVSA-N 1 1 447.926 4.247 50 0 IIAAMO C[N@H+](Cc1ccsc1)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000064007155 556822337 /nfs/dbraw/zinc/82/23/37/556822337.db2.gz AIWVUCPKLKOCOY-UHFFFAOYSA-N 1 1 435.471 4.017 50 0 IIAAMO C[N@@H+](Cc1ccsc1)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000064007155 556822340 /nfs/dbraw/zinc/82/23/40/556822340.db2.gz AIWVUCPKLKOCOY-UHFFFAOYSA-N 1 1 435.471 4.017 50 0 IIAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1Cl ZINC000065363902 556835420 /nfs/dbraw/zinc/83/54/20/556835420.db2.gz LHFXTSMMCKDVGY-UHFFFAOYSA-N 1 1 428.968 4.091 50 0 IIAAMO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033069039 556839524 /nfs/dbraw/zinc/83/95/24/556839524.db2.gz HTRLPHPPKJVMLX-UHFFFAOYSA-N 1 1 425.598 4.407 50 0 IIAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033069039 556839526 /nfs/dbraw/zinc/83/95/26/556839526.db2.gz HTRLPHPPKJVMLX-UHFFFAOYSA-N 1 1 425.598 4.407 50 0 IIAAMO O=C(Cc1c[nH]c2ccccc12)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000019741850 556884973 /nfs/dbraw/zinc/88/49/73/556884973.db2.gz YJJOETZGLYCTPC-AREMUKBSSA-N 1 1 425.532 4.463 50 0 IIAAMO COCC[N@H+]1CC[C@H](CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782223 556913661 /nfs/dbraw/zinc/91/36/61/556913661.db2.gz CATWROIRBRJIHY-OAQYLSRUSA-N 1 1 436.575 4.387 50 0 IIAAMO COCCN1CC[C@H](C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782223 556913681 /nfs/dbraw/zinc/91/36/81/556913681.db2.gz CATWROIRBRJIHY-OAQYLSRUSA-N 1 1 436.575 4.387 50 0 IIAAMO COCCN1CC[C@H](C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782223 556913684 /nfs/dbraw/zinc/91/36/84/556913684.db2.gz CATWROIRBRJIHY-OAQYLSRUSA-N 1 1 436.575 4.387 50 0 IIAAMO COc1cc(/C=C/C[N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)ccc1O ZINC000020149578 556990736 /nfs/dbraw/zinc/99/07/36/556990736.db2.gz YJMMIKOUOSGIHT-UUCGHWEQSA-N 1 1 442.003 4.354 50 0 IIAAMO COc1cc(/C=C/CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)ccc1O ZINC000020149578 556990738 /nfs/dbraw/zinc/99/07/38/556990738.db2.gz YJMMIKOUOSGIHT-UUCGHWEQSA-N 1 1 442.003 4.354 50 0 IIAAMO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000023153130 557069541 /nfs/dbraw/zinc/06/95/41/557069541.db2.gz OYYZHRGZGFQGQP-XMMPIXPASA-N 1 1 425.536 4.486 50 0 IIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000023153490 557069758 /nfs/dbraw/zinc/06/97/58/557069758.db2.gz YZIBXSJUVCBMND-HXUWFJFHSA-N 1 1 426.992 4.076 50 0 IIAAMO C[N@H+](CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 ZINC000023611312 557101063 /nfs/dbraw/zinc/10/10/63/557101063.db2.gz KYAXZCCLPRMJMY-XMMPIXPASA-N 1 1 425.532 4.449 50 0 IIAAMO C[N@@H+](CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 ZINC000023611312 557101066 /nfs/dbraw/zinc/10/10/66/557101066.db2.gz KYAXZCCLPRMJMY-XMMPIXPASA-N 1 1 425.532 4.449 50 0 IIAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)[nH+]c(C)n1 ZINC000033324502 557106455 /nfs/dbraw/zinc/10/64/55/557106455.db2.gz QJGQGIFDHYGIOR-UHFFFAOYSA-N 1 1 425.558 4.484 50 0 IIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000027365302 557261221 /nfs/dbraw/zinc/26/12/21/557261221.db2.gz AXRWEQQKIGFMHE-OAHLLOKOSA-N 1 1 433.585 4.316 50 0 IIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000027365302 557261224 /nfs/dbraw/zinc/26/12/24/557261224.db2.gz AXRWEQQKIGFMHE-OAHLLOKOSA-N 1 1 433.585 4.316 50 0 IIAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012042137 557525388 /nfs/dbraw/zinc/52/53/88/557525388.db2.gz OXKAHCNZPABTOH-YMQJMOIJSA-N 1 1 447.583 4.350 50 0 IIAAMO COc1ccc([C@@H]2[C@@H](COC(=O)c3cc(N4CCOC4=O)ccc3F)CCC[N@H+]2C)cc1 ZINC000107067846 557534546 /nfs/dbraw/zinc/53/45/46/557534546.db2.gz WNDXHJZUXMJBKW-VGOFRKELSA-N 1 1 442.487 4.031 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc1OC ZINC000045974118 557556069 /nfs/dbraw/zinc/55/60/69/557556069.db2.gz GJSQRRMFQZCTSS-UHFFFAOYSA-N 1 1 429.520 4.223 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cc1OC ZINC000045974118 557556072 /nfs/dbraw/zinc/55/60/72/557556072.db2.gz GJSQRRMFQZCTSS-UHFFFAOYSA-N 1 1 429.520 4.223 50 0 IIAAMO COc1ccc(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(OC)c1 ZINC000014991624 557836877 /nfs/dbraw/zinc/83/68/77/557836877.db2.gz CJOCVDOUGZQDJF-IBGZPJMESA-N 1 1 442.629 4.061 50 0 IIAAMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](CCOc2ccccc2)Cc2cncnc2)CC1 ZINC000241653391 557846800 /nfs/dbraw/zinc/84/68/00/557846800.db2.gz PUUBTFHNBRNYAT-NRFANRHFSA-N 1 1 426.561 4.147 50 0 IIAAMO Cc1sc(Br)c(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000241784823 557846812 /nfs/dbraw/zinc/84/68/12/557846812.db2.gz RXAYQWSDHYABQT-BETUJISGSA-N 1 1 429.424 4.089 50 0 IIAAMO COc1ccc([C@H]2c3c(n(C)c4c3[C@H](c3ccc(OC)cc3)[N@@H+](C)CC4)CCN2C)cc1 ZINC000002295267 562926839 /nfs/dbraw/zinc/92/68/39/562926839.db2.gz LCCSPYUGQUDIOH-SVBPBHIXSA-N 1 1 431.580 4.197 50 0 IIAAMO COc1ccc([C@H]2c3c(n(C)c4c3[C@H](c3ccc(OC)cc3)[N@H+](C)CC4)CCN2C)cc1 ZINC000002295267 562926840 /nfs/dbraw/zinc/92/68/40/562926840.db2.gz LCCSPYUGQUDIOH-SVBPBHIXSA-N 1 1 431.580 4.197 50 0 IIAAMO O=C(c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015943577 563020044 /nfs/dbraw/zinc/02/00/44/563020044.db2.gz IYAGBNDBNZMXLZ-SSEXGKCCSA-N 1 1 449.016 4.472 50 0 IIAAMO Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCC[N@H+]3CCc4ccccc4C3)cc12 ZINC000020183159 563023993 /nfs/dbraw/zinc/02/39/93/563023993.db2.gz SDCVEQJTOIRVNG-UHFFFAOYSA-N 1 1 445.636 4.488 50 0 IIAAMO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2cccc(F)c2)C[C@@H](O)COC(C)(C)C)C1 ZINC000104982778 568623164 /nfs/dbraw/zinc/62/31/64/568623164.db2.gz MHHSXSQYTKQNJZ-FGZHOGPDSA-N 1 1 428.548 4.305 50 0 IIAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983504 568623977 /nfs/dbraw/zinc/62/39/77/568623977.db2.gz FNVKEINNWILHID-CLJLJLNGSA-N 1 1 448.538 4.399 50 0 IIAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000004126996 568780903 /nfs/dbraw/zinc/78/09/03/568780903.db2.gz QHHDQUUKSRBBNM-WMLDXEAASA-N 1 1 448.445 4.429 50 0 IIAAMO Cc1c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nnn1-c1cccc2cccnc21 ZINC000084061089 568790838 /nfs/dbraw/zinc/79/08/38/568790838.db2.gz GUAFIAPZTSKYGH-IBGZPJMESA-N 1 1 446.599 4.241 50 0 IIAAMO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015731262 568814578 /nfs/dbraw/zinc/81/45/78/568814578.db2.gz FUAYVTSGDBIKKA-UHFFFAOYSA-N 1 1 439.563 4.238 50 0 IIAAMO CNC(=O)c1cc(C(=O)c2ccc(Nc3[nH]c4ccc(C(F)(F)F)cc4[nH+]3)cc2)ccn1 ZINC000085393817 568817110 /nfs/dbraw/zinc/81/71/10/568817110.db2.gz SMKOZEPUHOPWMR-UHFFFAOYSA-N 1 1 439.397 4.311 50 0 IIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)n2)cc1 ZINC000015825068 568840496 /nfs/dbraw/zinc/84/04/96/568840496.db2.gz BXOLKJXIXJTHJB-UHFFFAOYSA-N 1 1 436.491 4.030 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2C)cc1 ZINC000036102333 568952712 /nfs/dbraw/zinc/95/27/12/568952712.db2.gz NWAQBNQPCPNEPH-QFIPXVFZSA-N 1 1 435.520 4.174 50 0 IIAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccccc2C)cc1 ZINC000036104625 568953264 /nfs/dbraw/zinc/95/32/64/568953264.db2.gz FLRQUGAQJIALSU-JOCHJYFZSA-N 1 1 435.520 4.174 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146491 568962729 /nfs/dbraw/zinc/96/27/29/568962729.db2.gz FJISBFYCMXUTRT-AOYPEHQESA-N 1 1 430.548 4.294 50 0 IIAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246104 568981669 /nfs/dbraw/zinc/98/16/69/568981669.db2.gz SCZMDTWYRCHZMS-OAQYLSRUSA-N 1 1 443.588 4.104 50 0 IIAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169679288 568990878 /nfs/dbraw/zinc/99/08/78/568990878.db2.gz VPVXXTXZQRMNHA-UNMCSNQZSA-N 1 1 437.550 4.473 50 0 IIAAMO CCC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309075 568995736 /nfs/dbraw/zinc/99/57/36/568995736.db2.gz JDZXGQRHJNQYGL-REWPJTCUSA-N 1 1 442.625 4.126 50 0 IIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)CC ZINC000036309405 568995927 /nfs/dbraw/zinc/99/59/27/568995927.db2.gz NUBJGLANUMUIIK-IRLDBZIGSA-N 1 1 444.641 4.353 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC ZINC000036346393 569081209 /nfs/dbraw/zinc/08/12/09/569081209.db2.gz JEJJZUYJSCSXKN-OAQYLSRUSA-N 1 1 427.520 4.331 50 0 IIAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346682 569081374 /nfs/dbraw/zinc/08/13/74/569081374.db2.gz BPVPYRVFYUXHRG-OAQYLSRUSA-N 1 1 445.510 4.471 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346682 569081375 /nfs/dbraw/zinc/08/13/75/569081375.db2.gz BPVPYRVFYUXHRG-OAQYLSRUSA-N 1 1 445.510 4.471 50 0 IIAAMO CC[N@@H+](CCCNC(=O)c1cn2ccnc(-c3ccc(C)cc3)c2n1)Cc1ccccc1 ZINC000065274583 569128475 /nfs/dbraw/zinc/12/84/75/569128475.db2.gz GNCIUTFUHMUCRE-UHFFFAOYSA-N 1 1 427.552 4.347 50 0 IIAAMO COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000016891255 569165669 /nfs/dbraw/zinc/16/56/69/569165669.db2.gz XUSVATLRTSCCDN-NTKDMRAZSA-N 1 1 435.593 4.439 50 0 IIAAMO C[C@@H]1CCC[C@H]([N@@H+](Cc2ccc3c(c2)OCO3)Cc2cc(=O)n3ccsc3n2)[C@H]1C ZINC000252453069 569184138 /nfs/dbraw/zinc/18/41/38/569184138.db2.gz ZOWQVRUMGDZNHN-GJYPPUQNSA-N 1 1 425.554 4.312 50 0 IIAAMO CN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)C1CCC1 ZINC000037378417 569188601 /nfs/dbraw/zinc/18/86/01/569188601.db2.gz ZJIPCGOWXHPJJL-UHFFFAOYSA-N 1 1 432.543 4.328 50 0 IIAAMO CN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)C1CCC1 ZINC000037378417 569188602 /nfs/dbraw/zinc/18/86/02/569188602.db2.gz ZJIPCGOWXHPJJL-UHFFFAOYSA-N 1 1 432.543 4.328 50 0 IIAAMO Cc1ccc(NC(=O)N2CCC3(CC2)C[C@H](N2CC[NH+](CC(C)C)CC2)CCO3)cc1C ZINC000581819783 569211650 /nfs/dbraw/zinc/21/16/50/569211650.db2.gz KSZLSZGSGGDULQ-XMMPIXPASA-N 1 1 442.648 4.123 50 0 IIAAMO Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)c(C)c12 ZINC000013366423 569289965 /nfs/dbraw/zinc/28/99/65/569289965.db2.gz RNYCNMKCBHEQOO-HXUWFJFHSA-N 1 1 427.637 4.138 50 0 IIAAMO C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(NCC(C)(C)[NH+]4CCOCC4)c23)C1 ZINC000013097568 569309801 /nfs/dbraw/zinc/30/98/01/569309801.db2.gz OHXMUPPKGUGAAD-INIZCTEOSA-N 1 1 437.613 4.401 50 0 IIAAMO CCCCn1c(CN(C)C[C@@H]2CC[N@H+](C(C)C)C2)cnc1S(=O)(=O)CCCC(C)C ZINC000019336749 569318600 /nfs/dbraw/zinc/31/86/00/569318600.db2.gz AOULSADADSVCAY-NRFANRHFSA-N 1 1 440.698 4.055 50 0 IIAAMO CC(C)([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)Nc1ccccc1 ZINC000079065537 569324261 /nfs/dbraw/zinc/32/42/61/569324261.db2.gz WJUUOHJFDJFZCF-UHFFFAOYSA-N 1 1 430.480 4.034 50 0 IIAAMO COc1ccc(/C=C/C(=O)NCCCN2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000020241364 569357956 /nfs/dbraw/zinc/35/79/56/569357956.db2.gz YDSMCGCCFXJMPY-WVPZFPCVSA-N 1 1 427.633 4.190 50 0 IIAAMO CC[N@@H+](CCC1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1)CC1CC1 ZINC000095458249 569369254 /nfs/dbraw/zinc/36/92/54/569369254.db2.gz CIJPRUFSFXEDQF-UHFFFAOYSA-N 1 1 436.600 4.263 50 0 IIAAMO COc1ccc(NC(=O)C[N@H+](C)CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000029525660 569431468 /nfs/dbraw/zinc/43/14/68/569431468.db2.gz MFAJFDZFGGLZMP-UHFFFAOYSA-N 1 1 448.445 4.267 50 0 IIAAMO COc1ccc(NC(=O)C[N@@H+](C)CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000029525660 569431470 /nfs/dbraw/zinc/43/14/70/569431470.db2.gz MFAJFDZFGGLZMP-UHFFFAOYSA-N 1 1 448.445 4.267 50 0 IIAAMO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000057364818 569432238 /nfs/dbraw/zinc/43/22/38/569432238.db2.gz BUPBNLSDLRTQIP-LJQANCHMSA-N 1 1 431.536 4.223 50 0 IIAAMO Cc1nnc(Sc2cc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c3ccccc3n2)s1 ZINC000003027407 569436359 /nfs/dbraw/zinc/43/63/59/569436359.db2.gz AESMJEJIUUHVAK-OAHLLOKOSA-N 1 1 441.626 4.398 50 0 IIAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000008747946 569473139 /nfs/dbraw/zinc/47/31/39/569473139.db2.gz SFPZIPHJTQSSSL-UHFFFAOYSA-N 1 1 444.915 4.081 50 0 IIAAMO COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008901681 569484342 /nfs/dbraw/zinc/48/43/42/569484342.db2.gz KGSNDEUBDPLTMC-QGZVFWFLSA-N 1 1 429.007 4.306 50 0 IIAAMO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000040149731 569492686 /nfs/dbraw/zinc/49/26/86/569492686.db2.gz GZBBEOOETGEWBQ-UHFFFAOYSA-N 1 1 425.381 4.205 50 0 IIAAMO O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040158619 569494580 /nfs/dbraw/zinc/49/45/80/569494580.db2.gz WNCVFKLYXVHELF-IBGZPJMESA-N 1 1 446.517 4.098 50 0 IIAAMO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000245238071 569500508 /nfs/dbraw/zinc/50/05/08/569500508.db2.gz PMMZAHXHLUYXPI-WOJBJXKFSA-N 1 1 438.616 4.037 50 0 IIAAMO COc1c(C)cc([C@@H]2CCc3nc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cn3C2)cc1C ZINC000245330131 569504041 /nfs/dbraw/zinc/50/40/41/569504041.db2.gz XKKFNCNJUALHDT-NHCUHLMSSA-N 1 1 438.616 4.233 50 0 IIAAMO O=C(C[NH+]1CCCCC1)Nc1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000009168154 569509069 /nfs/dbraw/zinc/50/90/69/569509069.db2.gz XVUXGOBKQZMFRR-UHFFFAOYSA-N 1 1 440.341 4.382 50 0 IIAAMO CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OCC)cc2)CC1 ZINC000009265333 569517410 /nfs/dbraw/zinc/51/74/10/569517410.db2.gz UGJKBCSYBXKUCU-UHFFFAOYSA-N 1 1 435.524 4.252 50 0 IIAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000069982295 569526924 /nfs/dbraw/zinc/52/69/24/569526924.db2.gz CELNOLFGIDRSBB-UHFFFAOYSA-N 1 1 445.611 4.334 50 0 IIAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCCN(Cc2ccc(C)cc2)CC1 ZINC000069982295 569526925 /nfs/dbraw/zinc/52/69/25/569526925.db2.gz CELNOLFGIDRSBB-UHFFFAOYSA-N 1 1 445.611 4.334 50 0 IIAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCN(Cc2ccc(C)cc2)CC1 ZINC000069982295 569526926 /nfs/dbraw/zinc/52/69/26/569526926.db2.gz CELNOLFGIDRSBB-UHFFFAOYSA-N 1 1 445.611 4.334 50 0 IIAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)Oc1c3ccccc3ccc1[C@H]2c1ccco1 ZINC000009430094 569533883 /nfs/dbraw/zinc/53/38/83/569533883.db2.gz BBYOQDUOHBADHE-QFIPXVFZSA-N 1 1 442.519 4.117 50 0 IIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)cc2)cc1 ZINC000009439446 569535089 /nfs/dbraw/zinc/53/50/89/569535089.db2.gz NNZHRMSXCSLKBL-QHCPKHFHSA-N 1 1 432.524 4.062 50 0 IIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3cccn3C)cc2)cc1 ZINC000009439446 569535090 /nfs/dbraw/zinc/53/50/90/569535090.db2.gz NNZHRMSXCSLKBL-QHCPKHFHSA-N 1 1 432.524 4.062 50 0 IIAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000009488072 569539862 /nfs/dbraw/zinc/53/98/62/569539862.db2.gz XRTBSOUYSOFXJB-ZEQRLZLVSA-N 1 1 436.471 4.277 50 0 IIAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)c1 ZINC000009633617 569554298 /nfs/dbraw/zinc/55/42/98/569554298.db2.gz DVMWMGPPFRXDCI-UHFFFAOYSA-N 1 1 433.508 4.027 50 0 IIAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)c1 ZINC000009633617 569554299 /nfs/dbraw/zinc/55/42/99/569554299.db2.gz DVMWMGPPFRXDCI-UHFFFAOYSA-N 1 1 433.508 4.027 50 0 IIAAMO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077158934 569585817 /nfs/dbraw/zinc/58/58/17/569585817.db2.gz QNSOPIRYXCPKFH-UHFFFAOYSA-N 1 1 428.458 4.027 50 0 IIAAMO c1csc(-c2nc3ccccc3c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000003454931 132265782 /nfs/dbraw/zinc/26/57/82/132265782.db2.gz MRBSGXAPRHTQBH-UHFFFAOYSA-N 1 1 430.533 4.409 50 0 IIAAMO CC(C)(C)c1cc([C@H](c2ccccn2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000022227939 519006398 /nfs/dbraw/zinc/00/63/98/519006398.db2.gz HADBQYRFRXZACP-HSZRJFAPSA-N 1 1 425.617 4.082 50 0 IIAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000021662893 519707822 /nfs/dbraw/zinc/70/78/22/519707822.db2.gz ZNMQVBXYWUCQRB-GOSISDBHSA-N 1 1 430.552 4.464 50 0 IIAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(Sc4nncn4C)o3)C2)c1 ZINC000012441327 519782542 /nfs/dbraw/zinc/78/25/42/519782542.db2.gz ZKILJLJMRKYBNJ-SFHVURJKSA-N 1 1 440.569 4.441 50 0 IIAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Sc4nncn4C)o3)C2)c1 ZINC000012441327 519782543 /nfs/dbraw/zinc/78/25/43/519782543.db2.gz ZKILJLJMRKYBNJ-SFHVURJKSA-N 1 1 440.569 4.441 50 0 IIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2nc3nc(C)cc(C)n3n2)n1 ZINC000012922009 520763493 /nfs/dbraw/zinc/76/34/93/520763493.db2.gz RZSFZJHGTIZNHW-UHFFFAOYSA-N 1 1 427.603 4.356 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2ccc(OC)cc2)C1 ZINC000012298416 521118390 /nfs/dbraw/zinc/11/83/90/521118390.db2.gz RMTPPSFFYKIMGC-LJQANCHMSA-N 1 1 437.515 4.462 50 0 IIAAMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)CC1 ZINC000021796771 521125115 /nfs/dbraw/zinc/12/51/15/521125115.db2.gz BSPJUKPYGYTDEO-UHFFFAOYSA-N 1 1 425.536 4.455 50 0 IIAAMO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012597352 521749154 /nfs/dbraw/zinc/74/91/54/521749154.db2.gz LQVSACKBRQBKKS-NRFANRHFSA-N 1 1 448.586 4.290 50 0 IIAAMO C[NH+](C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1Cl ZINC000012773728 522087241 /nfs/dbraw/zinc/08/72/41/522087241.db2.gz JSRYCDBNDWNNSZ-OAQYLSRUSA-N 1 1 426.923 4.186 50 0 IIAAMO COc1cc(CN(C)Cc2csc(C)n2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012596099 522353771 /nfs/dbraw/zinc/35/37/71/522353771.db2.gz KNJIHIYMPCGTRK-QFIPXVFZSA-N 1 1 447.645 4.096 50 0 IIAAMO C[N@@H+](CCCNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)Cc1ccccc1 ZINC000021538876 522757251 /nfs/dbraw/zinc/75/72/51/522757251.db2.gz SFNAFCGYEADIFI-UHFFFAOYSA-N 1 1 449.624 4.060 50 0 IIAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697229 523139753 /nfs/dbraw/zinc/13/97/53/523139753.db2.gz YLPQWOZRHJKRPC-RUZDIDTESA-N 1 1 435.543 4.241 50 0 IIAAMO CCn1cc([C@H](CC(=O)NCCC[NH+]2CCOCC2)c2ccc(F)cc2)c2ccccc21 ZINC000035872190 523477918 /nfs/dbraw/zinc/47/79/18/523477918.db2.gz IFOGRCRLPAAIFU-HSZRJFAPSA-N 1 1 437.559 4.161 50 0 IIAAMO COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022784999 523734995 /nfs/dbraw/zinc/73/49/95/523734995.db2.gz VYXYANQBSOESGI-CJFMBICVSA-N 1 1 449.620 4.434 50 0 IIAAMO COCCN(Cc1ccc(-n2cccn2)cc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012750760 523741450 /nfs/dbraw/zinc/74/14/50/523741450.db2.gz IYDNYOXCODPNGG-XMMPIXPASA-N 1 1 444.623 4.200 50 0 IIAAMO COCCN(Cc1ccc(-n2cccn2)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012750760 523741459 /nfs/dbraw/zinc/74/14/59/523741459.db2.gz IYDNYOXCODPNGG-XMMPIXPASA-N 1 1 444.623 4.200 50 0 IIAAMO CC[C@H](C(=O)N1CCN(c2nc(Nc3ccc(OC)cc3)cc(C)[nH+]2)CC1)c1ccccc1 ZINC000017269088 523764109 /nfs/dbraw/zinc/76/41/09/523764109.db2.gz HCPDRBRPHXNLCF-QHCPKHFHSA-N 1 1 445.567 4.380 50 0 IIAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)CC(C)C)cc1 ZINC000036043001 524038904 /nfs/dbraw/zinc/03/89/04/524038904.db2.gz CUJYVRDUFVZBQG-QYBDOPJKSA-N 1 1 440.584 4.363 50 0 IIAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)CC(C)C)cc1 ZINC000036043001 524038909 /nfs/dbraw/zinc/03/89/09/524038909.db2.gz CUJYVRDUFVZBQG-QYBDOPJKSA-N 1 1 440.584 4.363 50 0 IIAAMO COc1ccc(CNCc2ccc(C)s2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012432586 524072726 /nfs/dbraw/zinc/07/27/26/524072726.db2.gz OZCLIJAFVZDEHS-OAQYLSRUSA-N 1 1 432.630 4.361 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153422 524100069 /nfs/dbraw/zinc/10/00/69/524100069.db2.gz XLHOUZNNIGKFCX-CQSZACIVSA-N 1 1 432.590 4.456 50 0 IIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000035399177 524223889 /nfs/dbraw/zinc/22/38/89/524223889.db2.gz QBYQZICXVWKAIH-GOSISDBHSA-N 1 1 435.012 4.212 50 0 IIAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1C ZINC000020453654 524264184 /nfs/dbraw/zinc/26/41/84/524264184.db2.gz CVDBIRJRVMBSAK-JOCHJYFZSA-N 1 1 449.599 4.372 50 0 IIAAMO COc1ccccc1[C@H]1C[N@H+](CCNC(=O)c2cc(C(C)C)on2)Cc2ccccc2O1 ZINC000012097974 524817442 /nfs/dbraw/zinc/81/74/42/524817442.db2.gz DCOLTAXVSPBQIU-XMMPIXPASA-N 1 1 435.524 4.172 50 0 IIAAMO COc1ccccc1[C@H]1C[N@@H+](CCNC(=O)c2cc(C(C)C)on2)Cc2ccccc2O1 ZINC000012097974 524817452 /nfs/dbraw/zinc/81/74/52/524817452.db2.gz DCOLTAXVSPBQIU-XMMPIXPASA-N 1 1 435.524 4.172 50 0 IIAAMO Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000012212436 525004282 /nfs/dbraw/zinc/00/42/82/525004282.db2.gz SDSAAMPKFKMNHO-HSZRJFAPSA-N 1 1 429.568 4.327 50 0 IIAAMO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000012316951 525134093 /nfs/dbraw/zinc/13/40/93/525134093.db2.gz WQLUOWCMSPCZHG-HSZRJFAPSA-N 1 1 436.600 4.129 50 0 IIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCC[C@@H]2CCNC(C)=O)c1 ZINC000012718257 525728638 /nfs/dbraw/zinc/72/86/38/525728638.db2.gz ARDKMSQFALDPKT-HSZRJFAPSA-N 1 1 432.568 4.429 50 0 IIAAMO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+](C)C4)c3n2)cc1 ZINC000021789070 525732667 /nfs/dbraw/zinc/73/26/67/525732667.db2.gz SUHBZIOYQLUOCU-HNNXBMFYSA-N 1 1 432.446 4.222 50 0 IIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036033826 526035765 /nfs/dbraw/zinc/03/57/65/526035765.db2.gz CYLQRASCHMCPPP-CPJSRVTESA-N 1 1 428.536 4.367 50 0 IIAAMO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454060 526045643 /nfs/dbraw/zinc/04/56/43/526045643.db2.gz PMMZAHXHLUYXPI-UXHICEINSA-N 1 1 438.616 4.037 50 0 IIAAMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022810940 526207428 /nfs/dbraw/zinc/20/74/28/526207428.db2.gz SKTKODIABOQZAQ-KNQAVFIVSA-N 1 1 426.630 4.047 50 0 IIAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012818479 526814641 /nfs/dbraw/zinc/81/46/41/526814641.db2.gz WQMQDXCHHGTCSV-FQEVSTJZSA-N 1 1 447.486 4.296 50 0 IIAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012818479 526814648 /nfs/dbraw/zinc/81/46/48/526814648.db2.gz WQMQDXCHHGTCSV-FQEVSTJZSA-N 1 1 447.486 4.296 50 0 IIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccccc2)c(N2CCCCCC2)s1 ZINC000020985743 527671959 /nfs/dbraw/zinc/67/19/59/527671959.db2.gz VXIPPIRASQBRRL-UHFFFAOYSA-N 1 1 427.614 4.248 50 0 IIAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000034668511 555792427 /nfs/dbraw/zinc/79/24/27/555792427.db2.gz SWVHYLYEZOWDGQ-UHFFFAOYSA-N 1 1 433.527 4.087 50 0 IIAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](C)CC3)n2Cc2ccc(Br)cc2)s1 ZINC000034678457 555797067 /nfs/dbraw/zinc/79/70/67/555797067.db2.gz KCBCWPLYMBVSTK-UHFFFAOYSA-N 1 1 432.387 4.210 50 0 IIAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000034683920 555819418 /nfs/dbraw/zinc/81/94/18/555819418.db2.gz NCZKIUWYPZXQCF-UHFFFAOYSA-N 1 1 432.492 4.418 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000034754902 555899819 /nfs/dbraw/zinc/89/98/19/555899819.db2.gz JYPNQLAITXMONF-ZCYQVOJMSA-N 1 1 426.576 4.481 50 0 IIAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1cc(=O)n2ccsc2n1 ZINC000032547934 556287484 /nfs/dbraw/zinc/28/74/84/556287484.db2.gz PGCCDRUZLRDEAL-UHFFFAOYSA-N 1 1 427.533 4.241 50 0 IIAAMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1cc(=O)n2ccsc2n1 ZINC000032547934 556287487 /nfs/dbraw/zinc/28/74/87/556287487.db2.gz PGCCDRUZLRDEAL-UHFFFAOYSA-N 1 1 427.533 4.241 50 0 IIAAMO O=C(CCc1ccc2c(c1)OCO2)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011815219 556358349 /nfs/dbraw/zinc/35/83/49/556358349.db2.gz MCJLZSPMMRRYEI-VWLOTQADSA-N 1 1 442.506 4.141 50 0 IIAAMO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2csc(C(C)=O)c2)CC1 ZINC000011816333 556359194 /nfs/dbraw/zinc/35/91/94/556359194.db2.gz SZEKNYXLJWEPFU-UHFFFAOYSA-N 1 1 438.553 4.245 50 0 IIAAMO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](Cc3ccc(CO)o3)CC2)c(Cl)c1 ZINC000011950586 556380298 /nfs/dbraw/zinc/38/02/98/556380298.db2.gz DWHCAJWPDBRSTF-UHFFFAOYSA-N 1 1 432.948 4.141 50 0 IIAAMO Cn1cc(C[N@H+](C)CCCCN2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012074757 556397206 /nfs/dbraw/zinc/39/72/06/556397206.db2.gz KZGKJLOKJUTCIY-UHFFFAOYSA-N 1 1 434.584 4.424 50 0 IIAAMO Cn1cc(C[N@@H+](C)CCCCN2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012074757 556397208 /nfs/dbraw/zinc/39/72/08/556397208.db2.gz KZGKJLOKJUTCIY-UHFFFAOYSA-N 1 1 434.584 4.424 50 0 IIAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000012076726 556398019 /nfs/dbraw/zinc/39/80/19/556398019.db2.gz WNDGJTCMVNFWDI-IBGZPJMESA-N 1 1 436.474 4.165 50 0 IIAAMO Cc1nc(CNC(=O)CC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cs1 ZINC000014879089 556452518 /nfs/dbraw/zinc/45/25/18/556452518.db2.gz WVWJFNLOYFCZJB-JOCHJYFZSA-N 1 1 425.529 4.233 50 0 IIAAMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C1CCCCC1 ZINC000029384731 556474080 /nfs/dbraw/zinc/47/40/80/556474080.db2.gz XXHRSVLAZIPZHT-UHFFFAOYSA-N 1 1 441.597 4.379 50 0 IIAAMO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 ZINC000029685548 556479792 /nfs/dbraw/zinc/47/97/92/556479792.db2.gz SBYIVUPABSOSLH-CQSZACIVSA-N 1 1 428.989 4.006 50 0 IIAAMO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCCCC[N@@H+]2C)C3)s1 ZINC000015001986 556480098 /nfs/dbraw/zinc/48/00/98/556480098.db2.gz SIYDXNJPITUCCD-HKUYNNGSSA-N 1 1 430.545 4.051 50 0 IIAAMO COCc1cc(C)nc2sc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@H]43)c(N)c21 ZINC000015107422 556504127 /nfs/dbraw/zinc/50/41/27/556504127.db2.gz APVAMQAVSFCOAD-IEBWSBKVSA-N 1 1 436.581 4.090 50 0 IIAAMO C[NH+]1CCN(C(=S)c2cn(Cc3ccc(Br)cc3)c3ccccc23)CC1 ZINC000013572287 556522898 /nfs/dbraw/zinc/52/28/98/556522898.db2.gz HCGFCVYNUZHUCW-UHFFFAOYSA-N 1 1 428.399 4.375 50 0 IIAAMO COc1cccc(-c2nnc(SC[C@@H]3C[N@@H+](CC(C)C)CCO3)n2Cc2ccco2)c1 ZINC000015545036 556533780 /nfs/dbraw/zinc/53/37/80/556533780.db2.gz PTVDKWPNVSZDSU-NRFANRHFSA-N 1 1 442.585 4.044 50 0 IIAAMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000015548568 556534443 /nfs/dbraw/zinc/53/44/43/556534443.db2.gz DYCAWCCDAROXCQ-IBGZPJMESA-N 1 1 434.483 4.149 50 0 IIAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000015548568 556534445 /nfs/dbraw/zinc/53/44/45/556534445.db2.gz DYCAWCCDAROXCQ-IBGZPJMESA-N 1 1 434.483 4.149 50 0 IIAAMO C[C@H](CNC(=O)COC(c1ccccc1)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032723865 556547979 /nfs/dbraw/zinc/54/79/79/556547979.db2.gz YFVAZKORGLRUEX-HSZRJFAPSA-N 1 1 443.591 4.120 50 0 IIAAMO COc1ccc(CC[N@H+](Cc2ccccc2)C[C@H](O)COc2cccc(C)c2)cc1OC ZINC000034077532 556570872 /nfs/dbraw/zinc/57/08/72/556570872.db2.gz RWAPDDZKWZBSNX-DEOSSOPVSA-N 1 1 435.564 4.497 50 0 IIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)n2)C1 ZINC000034892082 556586132 /nfs/dbraw/zinc/58/61/32/556586132.db2.gz HBYLPXKALHCSJS-HBUWYVDXSA-N 1 1 430.599 4.063 50 0 IIAAMO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3ccccc3Cl)C[C@@H](O)COC(C)C)C2)cc1 ZINC000036145832 556593873 /nfs/dbraw/zinc/59/38/73/556593873.db2.gz SWPUKSPWBIQSAW-IRLDBZIGSA-N 1 1 446.975 4.130 50 0 IIAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3ccccc3Cl)C[C@@H](O)COC(C)C)C2)cc1 ZINC000036145832 556593876 /nfs/dbraw/zinc/59/38/76/556593876.db2.gz SWPUKSPWBIQSAW-IRLDBZIGSA-N 1 1 446.975 4.130 50 0 IIAAMO CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc21 ZINC000032986719 556606505 /nfs/dbraw/zinc/60/65/05/556606505.db2.gz UXMBDHMFAZQQJI-UHFFFAOYSA-N 1 1 433.552 4.061 50 0 IIAAMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c1 ZINC000011713813 556643569 /nfs/dbraw/zinc/64/35/69/556643569.db2.gz ZWXXSYHASSCTSX-SFHVURJKSA-N 1 1 425.485 4.108 50 0 IIAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c1 ZINC000011713813 556643571 /nfs/dbraw/zinc/64/35/71/556643571.db2.gz ZWXXSYHASSCTSX-SFHVURJKSA-N 1 1 425.485 4.108 50 0 IIAAMO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000011754017 556651429 /nfs/dbraw/zinc/65/14/29/556651429.db2.gz PYGMBZWJEZXOTA-AREMUKBSSA-N 1 1 428.567 4.289 50 0 IIAAMO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000011754017 556651432 /nfs/dbraw/zinc/65/14/32/556651432.db2.gz PYGMBZWJEZXOTA-AREMUKBSSA-N 1 1 428.567 4.289 50 0 IIAAMO COCc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000019218761 556713396 /nfs/dbraw/zinc/71/33/96/556713396.db2.gz UCFKTSINIWTKBD-HXUWFJFHSA-N 1 1 437.506 4.231 50 0 IIAAMO COCc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000019218761 556713400 /nfs/dbraw/zinc/71/34/00/556713400.db2.gz UCFKTSINIWTKBD-HXUWFJFHSA-N 1 1 437.506 4.231 50 0 IIAAMO O[C@H]1CCCN(CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089280 556734073 /nfs/dbraw/zinc/73/40/73/556734073.db2.gz TYRZQXBRUCMRDZ-NRFANRHFSA-N 1 1 442.966 4.268 50 0 IIAAMO O[C@H]1CCC[N@H+](CCCNCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089280 556734075 /nfs/dbraw/zinc/73/40/75/556734075.db2.gz TYRZQXBRUCMRDZ-NRFANRHFSA-N 1 1 442.966 4.268 50 0 IIAAMO O[C@H]1CCC[N@@H+](CCCNCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089280 556734078 /nfs/dbraw/zinc/73/40/78/556734078.db2.gz TYRZQXBRUCMRDZ-NRFANRHFSA-N 1 1 442.966 4.268 50 0 IIAAMO COCCN(Cc1cc(OC)cc(OC)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055089858 556734280 /nfs/dbraw/zinc/73/42/80/556734280.db2.gz LVOKHKZEUIKTKU-OAQYLSRUSA-N 1 1 438.612 4.032 50 0 IIAAMO COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000079025450 556737651 /nfs/dbraw/zinc/73/76/51/556737651.db2.gz UXDQAYHNJAZSSN-LSDHHAIUSA-N 1 1 441.528 4.464 50 0 IIAAMO Cc1ccc(-n2cc(C[NH+]3CCN(c4ncccn4)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055270210 556739347 /nfs/dbraw/zinc/73/93/47/556739347.db2.gz HUXXJLSEAKHZOD-UHFFFAOYSA-N 1 1 428.515 4.099 50 0 IIAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2c(C)nc3sccn23)CC1 ZINC000055281724 556739849 /nfs/dbraw/zinc/73/98/49/556739849.db2.gz MDRMZDKHIHKQHL-UHFFFAOYSA-N 1 1 427.570 4.319 50 0 IIAAMO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c(C)o1 ZINC000055368913 556740740 /nfs/dbraw/zinc/74/07/40/556740740.db2.gz PRTGPHXDLJKNBD-FQEVSTJZSA-N 1 1 435.490 4.342 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCCc2nc(C(C)(C)C)no2)C1 ZINC000058010053 556753177 /nfs/dbraw/zinc/75/31/77/556753177.db2.gz CNQJEXVNNPGNLZ-KDURUIRLSA-N 1 1 426.605 4.484 50 0 IIAAMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000058176692 556769714 /nfs/dbraw/zinc/76/97/14/556769714.db2.gz CIKWKVWWPWBXKH-QHCPKHFHSA-N 1 1 429.564 4.123 50 0 IIAAMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](C(N)=O)C2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000058176692 556769718 /nfs/dbraw/zinc/76/97/18/556769718.db2.gz CIKWKVWWPWBXKH-QHCPKHFHSA-N 1 1 429.564 4.123 50 0 IIAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](CN2CCCCCC2=O)c2ccccc2)c1 ZINC000058202286 556771033 /nfs/dbraw/zinc/77/10/33/556771033.db2.gz SNJADQIHAWTEOB-DEOSSOPVSA-N 1 1 436.600 4.081 50 0 IIAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(I)cc1 ZINC000003582988 556818115 /nfs/dbraw/zinc/81/81/15/556818115.db2.gz GZPXOKMLMGBREQ-UHFFFAOYSA-N 1 1 434.321 4.184 50 0 IIAAMO Clc1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000064151718 556823048 /nfs/dbraw/zinc/82/30/48/556823048.db2.gz KAWQVOOCPSQSFO-MRXNPFEDSA-N 1 1 434.993 4.244 50 0 IIAAMO Clc1nc(N2CCCC2)sc1C[N@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000064151718 556823051 /nfs/dbraw/zinc/82/30/51/556823051.db2.gz KAWQVOOCPSQSFO-MRXNPFEDSA-N 1 1 434.993 4.244 50 0 IIAAMO Clc1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000064151720 556823104 /nfs/dbraw/zinc/82/31/04/556823104.db2.gz KAWQVOOCPSQSFO-INIZCTEOSA-N 1 1 434.993 4.244 50 0 IIAAMO Clc1nc(N2CCCC2)sc1C[N@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000064151720 556823106 /nfs/dbraw/zinc/82/31/06/556823106.db2.gz KAWQVOOCPSQSFO-INIZCTEOSA-N 1 1 434.993 4.244 50 0 IIAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)[nH+]1 ZINC000067604652 556843567 /nfs/dbraw/zinc/84/35/67/556843567.db2.gz RXGZNXILTKBLMC-UHFFFAOYSA-N 1 1 442.523 4.028 50 0 IIAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000097954617 556850485 /nfs/dbraw/zinc/85/04/85/556850485.db2.gz IFCGKIDDASYPJS-LSYYVWMOSA-N 1 1 428.624 4.371 50 0 IIAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000033139755 556875011 /nfs/dbraw/zinc/87/50/11/556875011.db2.gz OMDOOWPHZGPWDH-UHFFFAOYSA-N 1 1 446.599 4.067 50 0 IIAAMO Brc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCOCC2)cc1 ZINC000019832391 556927480 /nfs/dbraw/zinc/92/74/80/556927480.db2.gz AWMHLFAAPRKNBB-UHFFFAOYSA-N 1 1 425.330 4.051 50 0 IIAAMO Fc1ccc(C[N@H+]2CCCN(Cn3nc4sc5ccccc5n4c3=S)CC2)cc1 ZINC000022924752 557048272 /nfs/dbraw/zinc/04/82/72/557048272.db2.gz BXQXBDCPCKCUIA-UHFFFAOYSA-N 1 1 427.574 4.384 50 0 IIAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C[C@@H]1Cc2ccccc2O1 ZINC000023144742 557067976 /nfs/dbraw/zinc/06/79/76/557067976.db2.gz JIZGQVKWKWDRKN-IBGZPJMESA-N 1 1 438.597 4.238 50 0 IIAAMO C[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C[C@@H]1Cc2ccccc2O1 ZINC000023144742 557067978 /nfs/dbraw/zinc/06/79/78/557067978.db2.gz JIZGQVKWKWDRKN-IBGZPJMESA-N 1 1 438.597 4.238 50 0 IIAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)[nH+]c(C)n1 ZINC000033326883 557108627 /nfs/dbraw/zinc/10/86/27/557108627.db2.gz FXYCRTVGGZMQOK-UHFFFAOYSA-N 1 1 447.511 4.454 50 0 IIAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1F ZINC000033326722 557108878 /nfs/dbraw/zinc/10/88/78/557108878.db2.gz KDOVBOAKQUJIDL-UHFFFAOYSA-N 1 1 436.491 4.457 50 0 IIAAMO O=C(c1ccccc1CSc1nc2ccccc2o1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023882018 557123092 /nfs/dbraw/zinc/12/30/92/557123092.db2.gz IGOMUGIHPVQMQI-IBGZPJMESA-N 1 1 437.565 4.057 50 0 IIAAMO CCOc1cc(CNCC2([NH+](C)C)CCCC2)ccc1OCC(=O)Nc1ccccc1 ZINC000024081870 557135775 /nfs/dbraw/zinc/13/57/75/557135775.db2.gz TVDHHEPRTQBVNB-UHFFFAOYSA-N 1 1 425.573 4.067 50 0 IIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1 ZINC000025081697 557194817 /nfs/dbraw/zinc/19/48/17/557194817.db2.gz PGYVVEZUKSWEKJ-UHFFFAOYSA-N 1 1 449.576 4.357 50 0 IIAAMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027481121 557262872 /nfs/dbraw/zinc/26/28/72/557262872.db2.gz HVUAHZQQSBUDOF-MRXNPFEDSA-N 1 1 443.473 4.188 50 0 IIAAMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027481121 557262873 /nfs/dbraw/zinc/26/28/73/557262873.db2.gz HVUAHZQQSBUDOF-MRXNPFEDSA-N 1 1 443.473 4.188 50 0 IIAAMO COc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc(OC)c1OC ZINC000027664522 557270594 /nfs/dbraw/zinc/27/05/94/557270594.db2.gz UXLXXRQLXGXSEN-LJQANCHMSA-N 1 1 432.948 4.323 50 0 IIAAMO CSc1ccc([C@H]2[NH+]=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1 ZINC000100134428 557331744 /nfs/dbraw/zinc/33/17/44/557331744.db2.gz GRLKKEXKQJVWGU-IBGZPJMESA-N 1 1 425.945 4.045 50 0 IIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O ZINC000105003796 557470778 /nfs/dbraw/zinc/47/07/78/557470778.db2.gz UNCAJBSARARORS-PGRDOPGGSA-N 1 1 430.614 4.079 50 0 IIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](CC(C)C)C[C@H](C)O)c(C)c1 ZINC000105004940 557471436 /nfs/dbraw/zinc/47/14/36/557471436.db2.gz XSSXMLUOXYPENQ-UNMCSNQZSA-N 1 1 444.641 4.209 50 0 IIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](CC(C)C)C[C@H](C)O)c(C)c1 ZINC000105004943 557471733 /nfs/dbraw/zinc/47/17/33/557471733.db2.gz XSSXMLUOXYPENQ-RBBKRZOGSA-N 1 1 444.641 4.209 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(F)cc1)C(=O)C(C)C ZINC000105051321 557474667 /nfs/dbraw/zinc/47/46/67/557474667.db2.gz JYPNQLAITXMONF-ILBGXUMGSA-N 1 1 426.576 4.481 50 0 IIAAMO Cn1cc(/C=C/C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000029255557 557744853 /nfs/dbraw/zinc/74/48/53/557744853.db2.gz ROHCVIYFPGAUSL-RMKNXTFCSA-N 1 1 426.973 4.160 50 0 IIAAMO COc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c(OC)c1 ZINC000008590199 562951554 /nfs/dbraw/zinc/95/15/54/562951554.db2.gz PDKKKGNFXKGJLJ-HNNXBMFYSA-N 1 1 440.569 4.427 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009288930 562968967 /nfs/dbraw/zinc/96/89/67/562968967.db2.gz YVKDZHZNDVCQAL-QZTJIDSGSA-N 1 1 440.613 4.251 50 0 IIAAMO C[C@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085997926 563179981 /nfs/dbraw/zinc/17/99/81/563179981.db2.gz RAGAQGITTWHNKI-AVRDEDQJSA-N 1 1 425.623 4.487 50 0 IIAAMO Cc1ccc2cc(CO)c(-c3ccc(C(=O)NCCNc4[nH+]cccc4C)cc3)nc2c1 ZINC000534646579 568759127 /nfs/dbraw/zinc/75/91/27/568759127.db2.gz MPEZJNMHQWBUOU-UHFFFAOYSA-N 1 1 426.520 4.248 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681631 568806750 /nfs/dbraw/zinc/80/67/50/568806750.db2.gz IANLPCGBXPDZOE-OAQYLSRUSA-N 1 1 437.563 4.495 50 0 IIAAMO COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC ZINC000016044491 568868649 /nfs/dbraw/zinc/86/86/49/568868649.db2.gz ZXDXTZCGQKIDNV-MOPGFXCFSA-N 1 1 442.581 4.071 50 0 IIAAMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573412 568905444 /nfs/dbraw/zinc/90/54/44/568905444.db2.gz KELYDPDZFFHFEC-JKSUJKDBSA-N 1 1 430.346 4.127 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)c1 ZINC000036098455 568951853 /nfs/dbraw/zinc/95/18/53/568951853.db2.gz RFXXJFMCGHMBMB-QHCPKHFHSA-N 1 1 435.520 4.004 50 0 IIAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146108 568962006 /nfs/dbraw/zinc/96/20/06/568962006.db2.gz YPXJQBYYVQCWND-YADHBBJMSA-N 1 1 432.511 4.136 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146353 568962452 /nfs/dbraw/zinc/96/24/52/568962452.db2.gz DIPUUSKYDCVKJV-PMACEKPBSA-N 1 1 434.939 4.260 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC ZINC000036304571 568994707 /nfs/dbraw/zinc/99/47/07/568994707.db2.gz OPECBSGEDFWDRE-NRFANRHFSA-N 1 1 439.556 4.201 50 0 IIAAMO CC(C)CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](C)O ZINC000036309842 568996275 /nfs/dbraw/zinc/99/62/75/568996275.db2.gz PROUWLVYZDGUOS-AVRDEDQJSA-N 1 1 448.604 4.121 50 0 IIAAMO C[N@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341786 569078958 /nfs/dbraw/zinc/07/89/58/569078958.db2.gz KAAKHRURWZDLBC-HSZRJFAPSA-N 1 1 445.494 4.364 50 0 IIAAMO C[N@@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341786 569078959 /nfs/dbraw/zinc/07/89/59/569078959.db2.gz KAAKHRURWZDLBC-HSZRJFAPSA-N 1 1 445.494 4.364 50 0 IIAAMO COC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346365 569081146 /nfs/dbraw/zinc/08/11/46/569081146.db2.gz ASNSKYRWAUJFBQ-NRFANRHFSA-N 1 1 425.504 4.084 50 0 IIAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346365 569081148 /nfs/dbraw/zinc/08/11/48/569081148.db2.gz ASNSKYRWAUJFBQ-NRFANRHFSA-N 1 1 425.504 4.084 50 0 IIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1ccc2cc(OC)ccc21 ZINC000524730913 569126208 /nfs/dbraw/zinc/12/62/08/569126208.db2.gz BWJFJCWKCRZMQF-LADGPHEKSA-N 1 1 441.616 4.170 50 0 biogenic IIAAMO COc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662147 569160994 /nfs/dbraw/zinc/16/09/94/569160994.db2.gz IMVYGSMOAAUUMT-WOJBJXKFSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 ZINC000089662147 569160995 /nfs/dbraw/zinc/16/09/95/569160995.db2.gz IMVYGSMOAAUUMT-WOJBJXKFSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1ccc(C(=O)N[C@H](OC[C@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)cc1 ZINC000002137330 569185058 /nfs/dbraw/zinc/18/50/58/569185058.db2.gz ATPAPKBRPPCFQM-SZVBFZGTSA-N 1 1 449.806 4.402 50 0 IIAAMO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(-c2ccccc2)nn1 ZINC000252515179 569189122 /nfs/dbraw/zinc/18/91/22/569189122.db2.gz HTXWGUPEFBIFNJ-VQTJNVASSA-N 1 1 440.469 4.417 50 0 IIAAMO COc1cccc(-c2nn(C)c3sc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc23)c1 ZINC000020233413 569357102 /nfs/dbraw/zinc/35/71/02/569357102.db2.gz XQAYBFFZXIWDBY-CALCHBBNSA-N 1 1 440.613 4.408 50 0 IIAAMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H]([NH2+]C1CCN(C3CC3)CC1)c1ccccc1O2 ZINC000095455515 569368552 /nfs/dbraw/zinc/36/85/52/569368552.db2.gz ODSHSRYFLRJJFN-BWKNWUBXSA-N 1 1 427.589 4.106 50 0 IIAAMO CCN(C(=O)Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095942389 569375529 /nfs/dbraw/zinc/37/55/29/569375529.db2.gz PARVRVPTSHBABC-NRFANRHFSA-N 1 1 442.991 4.305 50 0 IIAAMO CCOc1ccc(NC(=S)NCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000058021459 569445395 /nfs/dbraw/zinc/44/53/95/569445395.db2.gz KSORSMODIFDEBV-UHFFFAOYSA-N 1 1 433.021 4.156 50 0 IIAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccncc2)N2CC[NH+](C)CC2)c1C ZINC000038546747 569463658 /nfs/dbraw/zinc/46/36/58/569463658.db2.gz XRQKAJNCMIFKMN-FQEVSTJZSA-N 1 1 426.611 4.411 50 0 IIAAMO COC1CC[NH+](CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000040023604 569482766 /nfs/dbraw/zinc/48/27/66/569482766.db2.gz JLCDXMLXYDXCHA-UHFFFAOYSA-N 1 1 435.446 4.007 50 0 IIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Br)OCO4)N3)C1 ZINC000008927651 569487277 /nfs/dbraw/zinc/48/72/77/569487277.db2.gz NSRNNAGNOUZOIF-INIZCTEOSA-N 1 1 436.331 4.046 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccccc1Cc1ccccc1 ZINC000008942353 569488677 /nfs/dbraw/zinc/48/86/77/569488677.db2.gz YNUCYSJMRMHCNH-UHFFFAOYSA-N 1 1 443.547 4.272 50 0 IIAAMO Cc1cccc(NC(=O)N2CCC(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)CC2)c1 ZINC000040150344 569493189 /nfs/dbraw/zinc/49/31/89/569493189.db2.gz KTPNPNFPPFTSEL-JOCHJYFZSA-N 1 1 442.991 4.311 50 0 IIAAMO Cc1cc([C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)c(C)s1 ZINC000069700267 569513688 /nfs/dbraw/zinc/51/36/88/569513688.db2.gz HMXPUYASMSJOEJ-OAHLLOKOSA-N 1 1 448.564 4.048 50 0 IIAAMO CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[N@H+]1CCCC[C@H]1CC ZINC000009473185 569539007 /nfs/dbraw/zinc/53/90/07/569539007.db2.gz BQFCIGRRUIVPIV-RBUKOAKNSA-N 1 1 444.645 4.058 50 0 IIAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000009819295 569569315 /nfs/dbraw/zinc/56/93/15/569569315.db2.gz XMAAKJWWTSLPST-UHFFFAOYSA-N 1 1 434.565 4.007 50 0 IIAAMO Oc1ccc(N2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC2)cc1 ZINC000002643195 132255696 /nfs/dbraw/zinc/25/56/96/132255696.db2.gz HMNWBLXRZPGBTB-UHFFFAOYSA-N 1 1 449.624 4.198 50 0 IIAAMO O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000008941912 132298479 /nfs/dbraw/zinc/29/84/79/132298479.db2.gz QIFXCPMBPBCVKD-UHFFFAOYSA-N 1 1 444.535 4.305 50 0 IIAAMO O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000011740508 132339378 /nfs/dbraw/zinc/33/93/78/132339378.db2.gz ZIEBZDTWGYZACS-UHFFFAOYSA-N 1 1 446.517 4.051 50 0 IIAAMO CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1 ZINC000012140804 518303082 /nfs/dbraw/zinc/30/30/82/518303082.db2.gz UQCBYULMBKFEDO-UHFFFAOYSA-N 1 1 446.370 4.470 50 0 IIAAMO CC(=O)N1CCc2cc(NC(=O)C[N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)ccc21 ZINC000012793832 519631664 /nfs/dbraw/zinc/63/16/64/519631664.db2.gz VFWQEZNFNKUQFK-VWLOTQADSA-N 1 1 425.532 4.182 50 0 IIAAMO CC(=O)N1CCc2cc(NC(=O)C[N@@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)ccc21 ZINC000012793832 519631666 /nfs/dbraw/zinc/63/16/66/519631666.db2.gz VFWQEZNFNKUQFK-VWLOTQADSA-N 1 1 425.532 4.182 50 0 IIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)CC1 ZINC000012702608 520923692 /nfs/dbraw/zinc/92/36/92/520923692.db2.gz JZILQRQKEIQDIJ-IBGZPJMESA-N 1 1 431.577 4.055 50 0 IIAAMO CCSc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)C[C@](C)(CC)OC3 ZINC000020442492 521785282 /nfs/dbraw/zinc/78/52/82/521785282.db2.gz AVZNBJYFHFFMRF-NRFANRHFSA-N 1 1 436.647 4.179 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012764732 522516324 /nfs/dbraw/zinc/51/63/24/522516324.db2.gz RGEOHYIPFAAHOM-DLBZAZTESA-N 1 1 429.948 4.335 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012764732 522516334 /nfs/dbraw/zinc/51/63/34/522516334.db2.gz RGEOHYIPFAAHOM-DLBZAZTESA-N 1 1 429.948 4.335 50 0 IIAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH]c2ccccc12 ZINC000012458839 523733810 /nfs/dbraw/zinc/73/38/10/523733810.db2.gz ROCCWSGQDNAVKZ-NRFANRHFSA-N 1 1 445.607 4.065 50 0 IIAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1OC ZINC000021794172 523751287 /nfs/dbraw/zinc/75/12/87/523751287.db2.gz HQZFPWXLDWJQHS-UHFFFAOYSA-N 1 1 433.512 4.398 50 0 IIAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1OC ZINC000021794172 523751294 /nfs/dbraw/zinc/75/12/94/523751294.db2.gz HQZFPWXLDWJQHS-UHFFFAOYSA-N 1 1 433.512 4.398 50 0 IIAAMO COc1ccc(CC(=O)NC[C@@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000022766105 523901441 /nfs/dbraw/zinc/90/14/41/523901441.db2.gz UWYCALCAVYOHQL-QFIPXVFZSA-N 1 1 436.577 4.224 50 0 IIAAMO COc1ccc(CC(=O)NC[C@@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000022766105 523901446 /nfs/dbraw/zinc/90/14/46/523901446.db2.gz UWYCALCAVYOHQL-QFIPXVFZSA-N 1 1 436.577 4.224 50 0 IIAAMO COc1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000012876042 523994597 /nfs/dbraw/zinc/99/45/97/523994597.db2.gz OOZJVYNQEALCCN-UHFFFAOYSA-N 1 1 439.581 4.152 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c(F)c1 ZINC000012705201 524028716 /nfs/dbraw/zinc/02/87/16/524028716.db2.gz URAFGUMTUXLYAU-GOSISDBHSA-N 1 1 444.547 4.160 50 0 IIAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)CC(C)C)cc1 ZINC000036042999 524039011 /nfs/dbraw/zinc/03/90/11/524039011.db2.gz CUJYVRDUFVZBQG-HFJWLAOPSA-N 1 1 440.584 4.363 50 0 IIAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)CC(C)C)cc1 ZINC000036042999 524039014 /nfs/dbraw/zinc/03/90/14/524039014.db2.gz CUJYVRDUFVZBQG-HFJWLAOPSA-N 1 1 440.584 4.363 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c(OC)c1 ZINC000012386931 524048148 /nfs/dbraw/zinc/04/81/48/524048148.db2.gz OCBUWBINQMKCHR-QGZVFWFLSA-N 1 1 432.511 4.291 50 0 IIAAMO Cc1cccc(-c2cnc(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)CC3)nc2)c1 ZINC000035455232 524111198 /nfs/dbraw/zinc/11/11/98/524111198.db2.gz MJVZBDQUZKFESO-NRFANRHFSA-N 1 1 435.616 4.049 50 0 IIAAMO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022908247 524132014 /nfs/dbraw/zinc/13/20/14/524132014.db2.gz BWGVBOLTBDNGDE-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022908247 524132024 /nfs/dbraw/zinc/13/20/24/524132024.db2.gz BWGVBOLTBDNGDE-QFIPXVFZSA-N 1 1 433.577 4.219 50 0 IIAAMO COc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000020856233 524473451 /nfs/dbraw/zinc/47/34/51/524473451.db2.gz IKGBTBVSHRVDTL-OAQYLSRUSA-N 1 1 433.552 4.495 50 0 IIAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000022914454 525222938 /nfs/dbraw/zinc/22/29/38/525222938.db2.gz ZYRPWXBTRASGAR-VWLOTQADSA-N 1 1 429.612 4.182 50 0 IIAAMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000022914454 525222942 /nfs/dbraw/zinc/22/29/42/525222942.db2.gz ZYRPWXBTRASGAR-VWLOTQADSA-N 1 1 429.612 4.182 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000012791796 525243581 /nfs/dbraw/zinc/24/35/81/525243581.db2.gz VAAUEPQDLWNLSF-QFIPXVFZSA-N 1 1 443.975 4.329 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000012791796 525243590 /nfs/dbraw/zinc/24/35/90/525243590.db2.gz VAAUEPQDLWNLSF-QFIPXVFZSA-N 1 1 443.975 4.329 50 0 IIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000022241939 526041751 /nfs/dbraw/zinc/04/17/51/526041751.db2.gz CYLQRASCHMCPPP-CJFMBICVSA-N 1 1 428.536 4.367 50 0 IIAAMO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1cc(COc2cccc3cnccc32)on1 ZINC000012198861 526323460 /nfs/dbraw/zinc/32/34/60/526323460.db2.gz NMILAYMQNUXDAI-OAQYLSRUSA-N 1 1 442.519 4.021 50 0 IIAAMO c1ccc(C(c2ccccc2)N2CC[NH+](CCCc3nc(-c4cccnc4)no3)CC2)cc1 ZINC000022912655 526459948 /nfs/dbraw/zinc/45/99/48/526459948.db2.gz IAEGLRFXVZLCQG-UHFFFAOYSA-N 1 1 439.563 4.471 50 0 IIAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000020449668 526494101 /nfs/dbraw/zinc/49/41/01/526494101.db2.gz NFGHVIDBVXFBBE-UHFFFAOYSA-N 1 1 443.551 4.342 50 0 IIAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3cccc(Cl)c3)CC2)no1)NC1CCCCC1 ZINC000021103346 526649721 /nfs/dbraw/zinc/64/97/21/526649721.db2.gz MAZYMCWYYPEVRD-UHFFFAOYSA-N 1 1 428.964 4.394 50 0 IIAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3cccc(Cl)c3)CC2)no1)NC1CCCCC1 ZINC000021103346 526649727 /nfs/dbraw/zinc/64/97/27/526649727.db2.gz MAZYMCWYYPEVRD-UHFFFAOYSA-N 1 1 428.964 4.394 50 0 IIAAMO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2ccc(CO)o2)CC1)N1CCCCC1 ZINC000012573500 526680421 /nfs/dbraw/zinc/68/04/21/526680421.db2.gz RZQGFMVXHJKPAD-UHFFFAOYSA-N 1 1 432.948 4.095 50 0 IIAAMO O=C(c1ccc2c(c1)OCCCO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004303 526726566 /nfs/dbraw/zinc/72/65/66/526726566.db2.gz GWNAVZDXCBJDCK-UHFFFAOYSA-N 1 1 428.532 4.395 50 0 IIAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012386507 527196431 /nfs/dbraw/zinc/19/64/31/527196431.db2.gz JYKJHMLEXXQTFV-LJQANCHMSA-N 1 1 426.504 4.037 50 0 IIAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012386507 527196441 /nfs/dbraw/zinc/19/64/41/527196441.db2.gz JYKJHMLEXXQTFV-LJQANCHMSA-N 1 1 426.504 4.037 50 0 IIAAMO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012300862 527696653 /nfs/dbraw/zinc/69/66/53/527696653.db2.gz FMBPQRZSJBQFTJ-MRXNPFEDSA-N 1 1 442.995 4.287 50 0 IIAAMO CC(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4ccccc4)co3)CC2)cc1 ZINC000034677992 555796496 /nfs/dbraw/zinc/79/64/96/555796496.db2.gz VSHNHJQHXRXDMU-UHFFFAOYSA-N 1 1 432.568 4.046 50 0 IIAAMO COc1ccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699350 555832042 /nfs/dbraw/zinc/83/20/42/555832042.db2.gz WATQNWWNWFVCAS-WNCULLNHSA-N 1 1 449.570 4.437 50 0 IIAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2sccc2C)C[C@H]1c1cccc(OC)c1 ZINC000034740342 555883612 /nfs/dbraw/zinc/88/36/12/555883612.db2.gz YVUQNKYKMZJWHZ-GGAORHGYSA-N 1 1 444.641 4.412 50 0 IIAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855576 555923896 /nfs/dbraw/zinc/92/38/96/555923896.db2.gz DMEOFHCLLZQYJN-KOSHJBKYSA-N 1 1 425.573 4.208 50 0 IIAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855576 555923898 /nfs/dbraw/zinc/92/38/98/555923898.db2.gz DMEOFHCLLZQYJN-KOSHJBKYSA-N 1 1 425.573 4.208 50 0 IIAAMO CCCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C)cc1 ZINC000034855578 555924372 /nfs/dbraw/zinc/92/43/72/555924372.db2.gz BTNPBXAELKHCCW-HOYKHHGWSA-N 1 1 425.573 4.209 50 0 IIAAMO CCCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000034855578 555924373 /nfs/dbraw/zinc/92/43/73/555924373.db2.gz BTNPBXAELKHCCW-HOYKHHGWSA-N 1 1 425.573 4.209 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855818 555924377 /nfs/dbraw/zinc/92/43/77/555924377.db2.gz GKQKKAQXONYVSN-OAQYLSRUSA-N 1 1 425.573 4.209 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855818 555924379 /nfs/dbraw/zinc/92/43/79/555924379.db2.gz GKQKKAQXONYVSN-OAQYLSRUSA-N 1 1 425.573 4.209 50 0 IIAAMO CCn1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1-c1ccc(OC)cc1OC ZINC000034901316 555929207 /nfs/dbraw/zinc/92/92/07/555929207.db2.gz ZLWPFXPUQCEEBD-IBGZPJMESA-N 1 1 448.567 4.106 50 0 IIAAMO CC[N@@H+](CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)Cc1ccccc1 ZINC000006876466 556107442 /nfs/dbraw/zinc/10/74/42/556107442.db2.gz IJDVFIUUNMEFMS-UHFFFAOYSA-N 1 1 425.504 4.026 50 0 IIAAMO CC(C)(C)c1ccc(OCCC[NH+]2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000022779291 556244932 /nfs/dbraw/zinc/24/49/32/556244932.db2.gz LVEXCFHSIRBRHF-UHFFFAOYSA-N 1 1 427.564 4.148 50 0 IIAAMO O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009418910 556289201 /nfs/dbraw/zinc/28/92/01/556289201.db2.gz NTSXTJZIJLFBGY-XXBNENTESA-N 1 1 441.487 4.163 50 0 IIAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013770341 556304833 /nfs/dbraw/zinc/30/48/33/556304833.db2.gz ZXXBAAIJVVBJMR-DNRSQYFGSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013770341 556304837 /nfs/dbraw/zinc/30/48/37/556304837.db2.gz ZXXBAAIJVVBJMR-DNRSQYFGSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011873659 556369912 /nfs/dbraw/zinc/36/99/12/556369912.db2.gz VDQJDVBCNPTFCJ-XMMPIXPASA-N 1 1 441.616 4.036 50 0 IIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccc(C)o2)CCO3)C1 ZINC000011911161 556375321 /nfs/dbraw/zinc/37/53/21/556375321.db2.gz LDXQQYKCLFPFHV-QFIPXVFZSA-N 1 1 439.600 4.063 50 0 IIAAMO CN(C)c1nc(Cl)c(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)s1 ZINC000011933433 556376897 /nfs/dbraw/zinc/37/68/97/556376897.db2.gz NTSWMXXZHBXDHK-KRWDZBQOSA-N 1 1 425.017 4.388 50 0 IIAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012005133 556386286 /nfs/dbraw/zinc/38/62/86/556386286.db2.gz YZHHYDFEEKEVPC-IBGZPJMESA-N 1 1 441.535 4.087 50 0 IIAAMO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000012051557 556392394 /nfs/dbraw/zinc/39/23/94/556392394.db2.gz VAFJZYVAGXXYFP-UHFFFAOYSA-N 1 1 441.568 4.491 50 0 IIAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000014247205 556407091 /nfs/dbraw/zinc/40/70/91/556407091.db2.gz MLHULPVBZUFKOK-OAHLLOKOSA-N 1 1 434.483 4.147 50 0 IIAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000014247205 556407092 /nfs/dbraw/zinc/40/70/92/556407092.db2.gz MLHULPVBZUFKOK-OAHLLOKOSA-N 1 1 434.483 4.147 50 0 IIAAMO CCOC(=O)C[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000012975825 556421303 /nfs/dbraw/zinc/42/13/03/556421303.db2.gz BPWUXMWFRBVIGL-LJQANCHMSA-N 1 1 427.476 4.418 50 0 IIAAMO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014540906 556425591 /nfs/dbraw/zinc/42/55/91/556425591.db2.gz RPZNBAQNPNXOCX-QFIPXVFZSA-N 1 1 444.579 4.415 50 0 IIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000032857840 556434244 /nfs/dbraw/zinc/43/42/44/556434244.db2.gz YOXIIDSDSQKFIW-CYBMUJFWSA-N 1 1 448.752 4.315 50 0 IIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000032857840 556434246 /nfs/dbraw/zinc/43/42/46/556434246.db2.gz YOXIIDSDSQKFIW-CYBMUJFWSA-N 1 1 448.752 4.315 50 0 IIAAMO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014748285 556442342 /nfs/dbraw/zinc/44/23/42/556442342.db2.gz NXILHCWEOMMKEC-LOSJGSFVSA-N 1 1 447.623 4.211 50 0 IIAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028289042 556448828 /nfs/dbraw/zinc/44/88/28/556448828.db2.gz WXJSZRINQGVSGL-QFIPXVFZSA-N 1 1 434.536 4.321 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[NH+]2CCCCC2)cc1 ZINC000028290702 556449736 /nfs/dbraw/zinc/44/97/36/556449736.db2.gz ZRZQDHOYYZAJHN-QFIPXVFZSA-N 1 1 434.536 4.375 50 0 IIAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)cc1 ZINC000014958154 556463055 /nfs/dbraw/zinc/46/30/55/556463055.db2.gz BUDZVKWIAGJTOE-GOSISDBHSA-N 1 1 440.540 4.121 50 0 IIAAMO COc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](CNC(=O)CCc4ccccc4)C3)cn2)cc1 ZINC000014963534 556465065 /nfs/dbraw/zinc/46/50/65/556465065.db2.gz HJXJVEFSRQOXEJ-QFIPXVFZSA-N 1 1 444.579 4.113 50 0 IIAAMO CC[N@H+]1CCC[C@H]1CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000013134864 556482954 /nfs/dbraw/zinc/48/29/54/556482954.db2.gz RCEUGFHXENKGFA-IBGZPJMESA-N 1 1 437.613 4.087 50 0 IIAAMO COCCOC(=O)Nc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000072294210 556506406 /nfs/dbraw/zinc/50/64/06/556506406.db2.gz ATSWNMRZFPONPF-IBGZPJMESA-N 1 1 440.544 4.010 50 0 IIAAMO COc1cc(CN(C)C(=O)C[N@@H+]2CCc3ccccc3C2)ccc1OCc1ccccc1 ZINC000015375575 556523669 /nfs/dbraw/zinc/52/36/69/556523669.db2.gz LGBXIJFHYBCYQA-UHFFFAOYSA-N 1 1 430.548 4.291 50 0 IIAAMO COc1cc(CN(C)C(=O)C[N@H+]2CCc3ccccc3C2)ccc1OCc1ccccc1 ZINC000015375575 556523672 /nfs/dbraw/zinc/52/36/72/556523672.db2.gz LGBXIJFHYBCYQA-UHFFFAOYSA-N 1 1 430.548 4.291 50 0 IIAAMO COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1=O ZINC000032900659 556529781 /nfs/dbraw/zinc/52/97/81/556529781.db2.gz IWUFVVJZBKIARS-FQEVSTJZSA-N 1 1 435.568 4.451 50 0 IIAAMO COc1cccc(-c2nnc(SC[C@H]3C[N@@H+](CC(C)C)CCO3)n2Cc2ccco2)c1 ZINC000015545040 556533794 /nfs/dbraw/zinc/53/37/94/556533794.db2.gz PTVDKWPNVSZDSU-OAQYLSRUSA-N 1 1 442.585 4.044 50 0 IIAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CC[NH+](C)CC1)occ3-c1ccc(F)cc1 ZINC000013623977 556536489 /nfs/dbraw/zinc/53/64/89/556536489.db2.gz QVTVKIPDIODGQW-UHFFFAOYSA-N 1 1 448.494 4.360 50 0 IIAAMO CCOc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCC2 ZINC000006552815 556579233 /nfs/dbraw/zinc/57/92/33/556579233.db2.gz LLPMFMXTTPNIGQ-UHFFFAOYSA-N 1 1 439.537 4.209 50 0 IIAAMO COC(=O)C1CC[NH+](CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000016517164 556613544 /nfs/dbraw/zinc/61/35/44/556613544.db2.gz DSVGLHNQIWCDFA-UHFFFAOYSA-N 1 1 442.575 4.008 50 0 IIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCn1ccc2cccc(OC)c21 ZINC000409414882 556641334 /nfs/dbraw/zinc/64/13/34/556641334.db2.gz QOHABHYRBNGTAM-XZOQPEGZSA-N 1 1 441.616 4.170 50 0 biogenic IIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCc1cn(C)c2ccccc12 ZINC000409414923 556641648 /nfs/dbraw/zinc/64/16/48/556641648.db2.gz ZHEFEBTXRIZVKE-LADGPHEKSA-N 1 1 425.617 4.241 50 0 biogenic IIAAMO COc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C[C@H]2CCO)cc1C ZINC000043041445 556660853 /nfs/dbraw/zinc/66/08/53/556660853.db2.gz ZRLBYEBJYLBWIF-XMMPIXPASA-N 1 1 448.611 4.079 50 0 IIAAMO COc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C[C@H]2CCO)cc1C ZINC000043041445 556660860 /nfs/dbraw/zinc/66/08/60/556660860.db2.gz ZRLBYEBJYLBWIF-XMMPIXPASA-N 1 1 448.611 4.079 50 0 IIAAMO COc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C[C@H]2CCO)cc1C ZINC000043041445 556660864 /nfs/dbraw/zinc/66/08/64/556660864.db2.gz ZRLBYEBJYLBWIF-XMMPIXPASA-N 1 1 448.611 4.079 50 0 IIAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000018250461 556688438 /nfs/dbraw/zinc/68/84/38/556688438.db2.gz RQCNVDFMUHOHNL-XMMPIXPASA-N 1 1 448.563 4.230 50 0 IIAAMO CCOCCN1CC[N@@H+](C[C@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@H]1CC ZINC000252550214 556691779 /nfs/dbraw/zinc/69/17/79/556691779.db2.gz SHTSUYDYNQWHCN-VQTJNVASSA-N 1 1 447.620 4.285 50 0 IIAAMO CCOCC[N@@H+]1CCN(C[C@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@H]1CC ZINC000252550214 556691782 /nfs/dbraw/zinc/69/17/82/556691782.db2.gz SHTSUYDYNQWHCN-VQTJNVASSA-N 1 1 447.620 4.285 50 0 IIAAMO CCOCC[N@H+]1CCN(C[C@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@H]1CC ZINC000252550214 556691785 /nfs/dbraw/zinc/69/17/85/556691785.db2.gz SHTSUYDYNQWHCN-VQTJNVASSA-N 1 1 447.620 4.285 50 0 IIAAMO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000019218400 556713349 /nfs/dbraw/zinc/71/33/49/556713349.db2.gz AFFKJWVUUSWTRR-UHFFFAOYSA-N 1 1 435.597 4.237 50 0 IIAAMO COCCN(Cc1cccc(OC)c1OC)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055072502 556733426 /nfs/dbraw/zinc/73/34/26/556733426.db2.gz AHVKVBFKKKUFCB-OAQYLSRUSA-N 1 1 438.612 4.032 50 0 IIAAMO O=C(NCC[NH+]1CCN(c2ccc(Br)cc2)CC1)Nc1cccc(Cl)c1 ZINC000055551718 556742282 /nfs/dbraw/zinc/74/22/82/556742282.db2.gz FKPUQIOFDNMZQQ-UHFFFAOYSA-N 1 1 437.769 4.046 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038486 556754995 /nfs/dbraw/zinc/75/49/95/556754995.db2.gz PEZKOVHEASIWQS-OAQYLSRUSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038486 556755000 /nfs/dbraw/zinc/75/50/00/556755000.db2.gz PEZKOVHEASIWQS-OAQYLSRUSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038486 556755007 /nfs/dbraw/zinc/75/50/07/556755007.db2.gz PEZKOVHEASIWQS-OAQYLSRUSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038486 556755013 /nfs/dbraw/zinc/75/50/13/556755013.db2.gz PEZKOVHEASIWQS-OAQYLSRUSA-N 1 1 427.932 4.033 50 0 IIAAMO CC[NH+]1CCN(CCCCNC(=O)NCc2ccc(Oc3ccc(F)cc3)c(C)c2)CC1 ZINC000058210013 556772025 /nfs/dbraw/zinc/77/20/25/556772025.db2.gz PHHYVWJBUGGDII-UHFFFAOYSA-N 1 1 442.579 4.143 50 0 IIAAMO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+](CC)Cc3ccccc3)c2c1 ZINC000003224511 556805821 /nfs/dbraw/zinc/80/58/21/556805821.db2.gz UMQXUNAYXPXPAQ-UHFFFAOYSA-N 1 1 433.599 4.474 50 0 IIAAMO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](CC)Cc3ccccc3)c2c1 ZINC000003224511 556805823 /nfs/dbraw/zinc/80/58/23/556805823.db2.gz UMQXUNAYXPXPAQ-UHFFFAOYSA-N 1 1 433.599 4.474 50 0 IIAAMO C[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000096845430 556847642 /nfs/dbraw/zinc/84/76/42/556847642.db2.gz MSGQFPIDONKFRF-SNVBAGLBSA-N 1 1 435.760 4.340 50 0 IIAAMO C[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000096845429 556847722 /nfs/dbraw/zinc/84/77/22/556847722.db2.gz MSGQFPIDONKFRF-JTQLQIEISA-N 1 1 435.760 4.340 50 0 IIAAMO COc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cc1OC ZINC000019741335 556883410 /nfs/dbraw/zinc/88/34/10/556883410.db2.gz NUMATXIUOIFOMT-QFIPXVFZSA-N 1 1 429.992 4.144 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cc1OC ZINC000019741335 556883413 /nfs/dbraw/zinc/88/34/13/556883413.db2.gz NUMATXIUOIFOMT-QFIPXVFZSA-N 1 1 429.992 4.144 50 0 IIAAMO COc1ccccc1N1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000020149756 556990869 /nfs/dbraw/zinc/99/08/69/556990869.db2.gz QUZMRCBQSTUYKY-UHFFFAOYSA-N 1 1 441.575 4.216 50 0 IIAAMO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(OC)c1 ZINC000023115554 557005871 /nfs/dbraw/zinc/00/58/71/557005871.db2.gz DONSRRFQVGCESP-KTBYTZPXSA-N 1 1 430.976 4.252 50 0 IIAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1C ZINC000020350875 557009016 /nfs/dbraw/zinc/00/90/16/557009016.db2.gz HCNYAQRZYHCMDH-OAQYLSRUSA-N 1 1 447.579 4.205 50 0 IIAAMO Cc1nc(-c2ccc(C)cc2)sc1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000020426539 557015560 /nfs/dbraw/zinc/01/55/60/557015560.db2.gz PMLGVFLZAVJYNB-UHFFFAOYSA-N 1 1 426.630 4.107 50 0 IIAAMO CCc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000033277339 557059276 /nfs/dbraw/zinc/05/92/76/557059276.db2.gz LTJDTLOMSAQZEL-UHFFFAOYSA-N 1 1 444.579 4.126 50 0 IIAAMO CCc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000033277339 557059280 /nfs/dbraw/zinc/05/92/80/557059280.db2.gz LTJDTLOMSAQZEL-UHFFFAOYSA-N 1 1 444.579 4.126 50 0 IIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N(CCO)Cc1ccccc1 ZINC000023128811 557065957 /nfs/dbraw/zinc/06/59/57/557065957.db2.gz DMHKJYBCGLXXJY-AREMUKBSSA-N 1 1 448.538 4.173 50 0 IIAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C[C@H]1Cc2ccccc2O1 ZINC000023144746 557067900 /nfs/dbraw/zinc/06/79/00/557067900.db2.gz JIZGQVKWKWDRKN-LJQANCHMSA-N 1 1 438.597 4.238 50 0 IIAAMO C[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)C[C@H]1Cc2ccccc2O1 ZINC000023144746 557067904 /nfs/dbraw/zinc/06/79/04/557067904.db2.gz JIZGQVKWKWDRKN-LJQANCHMSA-N 1 1 438.597 4.238 50 0 IIAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000048356321 557073323 /nfs/dbraw/zinc/07/33/23/557073323.db2.gz ZOXGAZWHDOZLLC-UHFFFAOYSA-N 1 1 425.851 4.262 50 0 IIAAMO Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000023337671 557084714 /nfs/dbraw/zinc/08/47/14/557084714.db2.gz HDTOKUUYXSEJKE-UHFFFAOYSA-N 1 1 432.959 4.165 50 0 IIAAMO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023389274 557090210 /nfs/dbraw/zinc/09/02/10/557090210.db2.gz SNDSIQFHZGRUAC-HHHXNRCGSA-N 1 1 444.575 4.178 50 0 IIAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4cc(C)ccc4-n4cccn4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000023399774 557090522 /nfs/dbraw/zinc/09/05/22/557090522.db2.gz TXTXLYPKBAREJD-NOOLENRPSA-N 1 1 442.563 4.127 50 0 IIAAMO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)NCc1ccccc1Cl ZINC000049403590 557099177 /nfs/dbraw/zinc/09/91/77/557099177.db2.gz QTQHBEMSAPFTAH-UHFFFAOYSA-N 1 1 428.895 4.025 50 0 IIAAMO O=C(c1ccc(Br)cc1F)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651596 557103143 /nfs/dbraw/zinc/10/31/43/557103143.db2.gz KBISKFFTGWVRLB-UHFFFAOYSA-N 1 1 434.305 4.158 50 0 IIAAMO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000023883435 557123757 /nfs/dbraw/zinc/12/37/57/557123757.db2.gz WDPJJLNBXQZAJY-VWLOTQADSA-N 1 1 433.527 4.128 50 0 IIAAMO O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000023883435 557123762 /nfs/dbraw/zinc/12/37/62/557123762.db2.gz WDPJJLNBXQZAJY-VWLOTQADSA-N 1 1 433.527 4.128 50 0 IIAAMO COc1ccc(OCC[N@H+](C)CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000011432542 557147444 /nfs/dbraw/zinc/14/74/44/557147444.db2.gz CDBUYGUAMWKCBU-HSZRJFAPSA-N 1 1 442.606 4.303 50 0 IIAAMO COc1ccc(OCC[N@@H+](C)CC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000011432542 557147449 /nfs/dbraw/zinc/14/74/49/557147449.db2.gz CDBUYGUAMWKCBU-HSZRJFAPSA-N 1 1 442.606 4.303 50 0 IIAAMO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000024807736 557168330 /nfs/dbraw/zinc/16/83/30/557168330.db2.gz RLGZGEDOEGYGRA-UONOGXRCSA-N 1 1 447.366 4.469 50 0 IIAAMO O=C(C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000024864840 557174851 /nfs/dbraw/zinc/17/48/51/557174851.db2.gz BLXZNOVXRVFXDX-SANMLTNESA-N 1 1 427.548 4.109 50 0 IIAAMO O=C(C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000024864847 557174956 /nfs/dbraw/zinc/17/49/56/557174956.db2.gz BLXZNOVXRVFXDX-AREMUKBSSA-N 1 1 427.548 4.109 50 0 IIAAMO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025063483 557193655 /nfs/dbraw/zinc/19/36/55/557193655.db2.gz MQQFXKTXOLNCET-NRFANRHFSA-N 1 1 442.563 4.130 50 0 IIAAMO CCc1cccc(C)c1NC(=S)N(CCC[NH+]1CCN(C)CC1)Cc1cccs1 ZINC000101215381 557265765 /nfs/dbraw/zinc/26/57/65/557265765.db2.gz VMSCSMKFMDFLNX-UHFFFAOYSA-N 1 1 430.687 4.455 50 0 IIAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023447617 557359597 /nfs/dbraw/zinc/35/95/97/557359597.db2.gz ZOPBYTIJWXTEBF-UHFFFAOYSA-N 1 1 440.547 4.349 50 0 IIAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000023638670 557369432 /nfs/dbraw/zinc/36/94/32/557369432.db2.gz ZJPYSSZEIHMGMO-UHFFFAOYSA-N 1 1 437.547 4.201 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051941 557416907 /nfs/dbraw/zinc/41/69/07/557416907.db2.gz DMEOFHCLLZQYJN-MHECFPHRSA-N 1 1 425.573 4.208 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051941 557416908 /nfs/dbraw/zinc/41/69/08/557416908.db2.gz DMEOFHCLLZQYJN-MHECFPHRSA-N 1 1 425.573 4.208 50 0 IIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O ZINC000105004282 557471178 /nfs/dbraw/zinc/47/11/78/557471178.db2.gz DQMWZDUHGVKYEW-WMZHIEFXSA-N 1 1 444.641 4.469 50 0 IIAAMO Cc1ccc(-n2cc(C[NH+]3CCN(Cc4nccn4C)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000019838703 563023073 /nfs/dbraw/zinc/02/30/73/563023073.db2.gz NKVFJSGYMQEBRF-UHFFFAOYSA-N 1 1 444.558 4.038 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cc(Cl)c(O)c(OC)c3)C2)cc1 ZINC000055088460 563142271 /nfs/dbraw/zinc/14/22/71/563142271.db2.gz FFAJGHUXRKCSDT-IBGZPJMESA-N 1 1 432.992 4.449 50 0 IIAAMO Cc1ccc(Sc2ccc(NC(=O)CN3CC[NH+](C[C@H]4CCCO4)CC3)cc2)c(C)c1 ZINC000022928478 568612959 /nfs/dbraw/zinc/61/29/59/568612959.db2.gz CMTQAVCUAOMJCY-JOCHJYFZSA-N 1 1 439.625 4.190 50 0 IIAAMO Cc1cccc(CN2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@@H]2CCO)n1 ZINC000023373443 568613587 /nfs/dbraw/zinc/61/35/87/568613587.db2.gz PXTTTZWVOFBNBM-FQEVSTJZSA-N 1 1 425.960 4.372 50 0 IIAAMO Cc1cccc(CN2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@@H]2CCO)n1 ZINC000023373443 568613588 /nfs/dbraw/zinc/61/35/88/568613588.db2.gz PXTTTZWVOFBNBM-FQEVSTJZSA-N 1 1 425.960 4.372 50 0 IIAAMO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2cccc(F)c2)C[C@@H](O)COCC(C)C)C1 ZINC000104982545 568622893 /nfs/dbraw/zinc/62/28/93/568622893.db2.gz YGLISNIMUCHBAN-DHIUTWEWSA-N 1 1 428.548 4.163 50 0 IIAAMO O=C1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCN1Cc1cccnc1 ZINC000299790617 568757710 /nfs/dbraw/zinc/75/77/10/568757710.db2.gz BOCCDINICSGFQT-UHFFFAOYSA-N 1 1 437.547 4.169 50 0 IIAAMO C=Cc1c(C[N@H+](C)C[C@@H](C)O)c2cc(Br)ccc2n1CCc1ccccn1 ZINC000085393413 568817205 /nfs/dbraw/zinc/81/72/05/568817205.db2.gz CNGBXLSRZRYWNY-MRXNPFEDSA-N 1 1 428.374 4.497 50 0 IIAAMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000006582003 568933894 /nfs/dbraw/zinc/93/38/94/568933894.db2.gz SFFUZSHPKSEYQK-IBGZPJMESA-N 1 1 426.948 4.362 50 0 IIAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(CC)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000035991102 568941750 /nfs/dbraw/zinc/94/17/50/568941750.db2.gz LWTAKMDYPWALLI-QFIPXVFZSA-N 1 1 427.589 4.373 50 0 IIAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036103763 568952988 /nfs/dbraw/zinc/95/29/88/568952988.db2.gz OCBWJBXRKQUSAA-XMMPIXPASA-N 1 1 439.527 4.423 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036103763 568952991 /nfs/dbraw/zinc/95/29/91/568952991.db2.gz OCBWJBXRKQUSAA-XMMPIXPASA-N 1 1 439.527 4.423 50 0 IIAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@H](O)COCc3ccccc3)n2)cc1 ZINC000036147343 568962408 /nfs/dbraw/zinc/96/24/08/568962408.db2.gz ZSKQJIBOANPEKT-QHCPKHFHSA-N 1 1 447.535 4.260 50 0 IIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](C)O ZINC000036303504 568993799 /nfs/dbraw/zinc/99/37/99/568993799.db2.gz VHJWJULAHVGMLA-KRWDZBQOSA-N 1 1 429.948 4.456 50 0 IIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](C)O ZINC000036303504 568993801 /nfs/dbraw/zinc/99/38/01/568993801.db2.gz VHJWJULAHVGMLA-KRWDZBQOSA-N 1 1 429.948 4.456 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC ZINC000036303948 568994362 /nfs/dbraw/zinc/99/43/62/568994362.db2.gz FERBTCJAUCCKRH-NRFANRHFSA-N 1 1 439.556 4.201 50 0 IIAAMO CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC(C)C ZINC000036309096 568995912 /nfs/dbraw/zinc/99/59/12/568995912.db2.gz XIYRZRKEMXNQIO-OFNKIYASSA-N 1 1 444.641 4.290 50 0 IIAAMO CC(C)CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000036309840 568996460 /nfs/dbraw/zinc/99/64/60/568996460.db2.gz PROUWLVYZDGUOS-GCJKJVERSA-N 1 1 448.604 4.121 50 0 IIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346040 569080830 /nfs/dbraw/zinc/08/08/30/569080830.db2.gz MSVQGLSBVWZXHA-NRFANRHFSA-N 1 1 439.531 4.474 50 0 IIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346040 569080831 /nfs/dbraw/zinc/08/08/31/569080831.db2.gz MSVQGLSBVWZXHA-NRFANRHFSA-N 1 1 439.531 4.474 50 0 IIAAMO C[C@H](Oc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cn1)c1ccccc1 ZINC000065565679 569139410 /nfs/dbraw/zinc/13/94/10/569139410.db2.gz MJPHEEVYFKBFCL-FQEVSTJZSA-N 1 1 430.552 4.221 50 0 IIAAMO O=C([C@H](c1ccccc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCCC1 ZINC000037183546 569140703 /nfs/dbraw/zinc/14/07/03/569140703.db2.gz GNSOOBUSHOLPIK-QFIPXVFZSA-N 1 1 446.517 4.366 50 0 IIAAMO Cc1nc(-c2cccc(NC(=O)NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)c2)oc1C ZINC000170609696 569144762 /nfs/dbraw/zinc/14/47/62/569144762.db2.gz QMNJGDLIGQNFSY-HSZRJFAPSA-N 1 1 434.540 4.237 50 0 IIAAMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)CCCC2 ZINC000089905067 569167240 /nfs/dbraw/zinc/16/72/40/569167240.db2.gz NEFHOOWMPJESDE-VGSWGCGISA-N 1 1 437.550 4.234 50 0 IIAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000017012586 569170583 /nfs/dbraw/zinc/17/05/83/569170583.db2.gz ZNJXGZGZCWXMET-UHFFFAOYSA-N 1 1 437.931 4.153 50 0 IIAAMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027235928 569186930 /nfs/dbraw/zinc/18/69/30/569186930.db2.gz UYGPNEOTAIVYDR-UHFFFAOYSA-N 1 1 446.494 4.420 50 0 IIAAMO CC[NH+]1CCN(C(=O)CCn2c3ccccc3nc2Cc2c(Cl)cccc2Cl)CC1 ZINC000037396916 569192974 /nfs/dbraw/zinc/19/29/74/569192974.db2.gz CAWLUBRRBLMFJH-UHFFFAOYSA-N 1 1 445.394 4.488 50 0 IIAAMO CC[C@@H]1C[N@H+](CCNC(=O)/C=C/c2nc3ccccc3s2)Cc2cc(OC)ccc2O1 ZINC000012079513 569265024 /nfs/dbraw/zinc/26/50/24/569265024.db2.gz ZQHRMISFEYQSCR-DOJUMQAQSA-N 1 1 437.565 4.108 50 0 IIAAMO CC[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2nc3ccccc3s2)Cc2cc(OC)ccc2O1 ZINC000012079513 569265025 /nfs/dbraw/zinc/26/50/25/569265025.db2.gz ZQHRMISFEYQSCR-DOJUMQAQSA-N 1 1 437.565 4.108 50 0 IIAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000096007057 569379477 /nfs/dbraw/zinc/37/94/77/569379477.db2.gz QQJLRDKXZYPOCO-NRSPTQNISA-N 1 1 433.379 4.370 50 0 IIAAMO Cc1coc2c1cc1c(C)c(CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc1c2C ZINC000096343533 569396936 /nfs/dbraw/zinc/39/69/36/569396936.db2.gz IBKWTWBXROGHHK-XMSQKQJNSA-N 1 1 436.552 4.388 50 0 IIAAMO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096457211 569400755 /nfs/dbraw/zinc/40/07/55/569400755.db2.gz FUUKPPZRNLTKLV-AOYPEHQESA-N 1 1 447.529 4.144 50 0 IIAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1Cl ZINC000029045544 569424669 /nfs/dbraw/zinc/42/46/69/569424669.db2.gz LAUZVUZDQLTZLK-OAQYLSRUSA-N 1 1 444.362 4.236 50 0 IIAAMO CCOc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)n2)cc1 ZINC000029051871 569425282 /nfs/dbraw/zinc/42/52/82/569425282.db2.gz QUHLEGFLXUARBN-FQEVSTJZSA-N 1 1 442.947 4.140 50 0 IIAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cccc2nsnc21 ZINC000057238698 569430167 /nfs/dbraw/zinc/43/01/67/569430167.db2.gz NVCWRAUWMCPHGG-UHFFFAOYSA-N 1 1 447.539 4.405 50 0 IIAAMO CC[NH+]1CCN(C(=S)N=P(N(C)C)(N(C)C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000057638322 569440441 /nfs/dbraw/zinc/44/04/41/569440441.db2.gz RMHNAPVOMBJDTG-UHFFFAOYSA-N 1 1 425.627 4.032 50 0 IIAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030030097 569440540 /nfs/dbraw/zinc/44/05/40/569440540.db2.gz WQDWZOWHISXAHB-BOMYWPOKSA-N 1 1 428.580 4.385 50 0 IIAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030030097 569440541 /nfs/dbraw/zinc/44/05/41/569440541.db2.gz WQDWZOWHISXAHB-BOMYWPOKSA-N 1 1 428.580 4.385 50 0 IIAAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008705723 569470383 /nfs/dbraw/zinc/47/03/83/569470383.db2.gz AEUPDHBOBDZIBO-UHFFFAOYSA-N 1 1 437.521 4.108 50 0 IIAAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008705723 569470384 /nfs/dbraw/zinc/47/03/84/569470384.db2.gz AEUPDHBOBDZIBO-UHFFFAOYSA-N 1 1 437.521 4.108 50 0 IIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2C(=O)OC)C1 ZINC000009151101 569507375 /nfs/dbraw/zinc/50/73/75/569507375.db2.gz PILSDAHGLNXIIS-UHFFFAOYSA-N 1 1 438.553 4.025 50 0 IIAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000009228206 569513578 /nfs/dbraw/zinc/51/35/78/569513578.db2.gz FOKDBKJLBZULCT-UHFFFAOYSA-N 1 1 441.553 4.445 50 0 IIAAMO CCN(CC)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036250142 569587960 /nfs/dbraw/zinc/58/79/60/569587960.db2.gz IJHBGQUKFZDQMB-FQEVSTJZSA-N 1 1 440.415 4.178 50 0 IIAAMO Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000002297745 132251659 /nfs/dbraw/zinc/25/16/59/132251659.db2.gz HKDKNUHYWORIBE-UHFFFAOYSA-N 1 1 447.651 4.294 50 0 IIAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000008898077 132297165 /nfs/dbraw/zinc/29/71/65/132297165.db2.gz FDMMWPXSIRKUAS-UHFFFAOYSA-N 1 1 436.600 4.338 50 0 IIAAMO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000022573178 518628974 /nfs/dbraw/zinc/62/89/74/518628974.db2.gz KBEZBYISISKDRO-QFIPXVFZSA-N 1 1 425.617 4.357 50 0 IIAAMO CCOC(=O)/C=C/c1ccc(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000022060214 520400239 /nfs/dbraw/zinc/40/02/39/520400239.db2.gz CCAPYCQTWXSZSE-MDWZMJQESA-N 1 1 431.330 4.096 50 0 IIAAMO CCOC(=O)/C=C/c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000022060214 520400247 /nfs/dbraw/zinc/40/02/47/520400247.db2.gz CCAPYCQTWXSZSE-MDWZMJQESA-N 1 1 431.330 4.096 50 0 IIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)CC1 ZINC000012702614 520925481 /nfs/dbraw/zinc/92/54/81/520925481.db2.gz JZILQRQKEIQDIJ-LJQANCHMSA-N 1 1 431.577 4.055 50 0 IIAAMO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908324 521522669 /nfs/dbraw/zinc/52/26/69/521522669.db2.gz RWWGVCJIIJNEDF-NRFANRHFSA-N 1 1 449.576 4.001 50 0 IIAAMO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908324 521522674 /nfs/dbraw/zinc/52/26/74/521522674.db2.gz RWWGVCJIIJNEDF-NRFANRHFSA-N 1 1 449.576 4.001 50 0 IIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000020988238 521654571 /nfs/dbraw/zinc/65/45/71/521654571.db2.gz WFWLKRLQRPCPBC-QHCPKHFHSA-N 1 1 434.584 4.204 50 0 IIAAMO COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012596727 522464391 /nfs/dbraw/zinc/46/43/91/522464391.db2.gz LBFMBKMHPDPJII-OAQYLSRUSA-N 1 1 445.604 4.101 50 0 IIAAMO COc1cc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCC[N@H+]24)c(Cl)cc1O ZINC000012754134 522926338 /nfs/dbraw/zinc/92/63/38/522926338.db2.gz NHEWGEORJAUUIV-REIDKSKDSA-N 1 1 426.944 4.035 50 0 IIAAMO COc1cc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCC[N@@H+]24)c(Cl)cc1O ZINC000012754134 522926352 /nfs/dbraw/zinc/92/63/52/522926352.db2.gz NHEWGEORJAUUIV-REIDKSKDSA-N 1 1 426.944 4.035 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=S)NC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000036043257 523036804 /nfs/dbraw/zinc/03/68/04/523036804.db2.gz GUGWXKDUQGFROS-HOYKHHGWSA-N 1 1 441.641 4.373 50 0 IIAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697060 523139146 /nfs/dbraw/zinc/13/91/46/523139146.db2.gz PFFXZPUXQZAFKO-XMMPIXPASA-N 1 1 437.971 4.447 50 0 IIAAMO CCn1ccnc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000012447274 523532071 /nfs/dbraw/zinc/53/20/71/523532071.db2.gz XTTIFTZUJWRKCD-IBGZPJMESA-N 1 1 428.540 4.297 50 0 IIAAMO CCn1ccnc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000012447274 523532076 /nfs/dbraw/zinc/53/20/76/523532076.db2.gz XTTIFTZUJWRKCD-IBGZPJMESA-N 1 1 428.540 4.297 50 0 IIAAMO C[N@H+]1CCC[C@@H](COC(=O)c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)C1 ZINC000021792712 523815256 /nfs/dbraw/zinc/81/52/56/523815256.db2.gz HREWOCHOINHKFB-CYBMUJFWSA-N 1 1 436.409 4.053 50 0 IIAAMO COc1ccc(CN(C)Cc2ncccc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012320309 524008337 /nfs/dbraw/zinc/00/83/37/524008337.db2.gz XUXZGMLOBODKDA-QHCPKHFHSA-N 1 1 441.616 4.036 50 0 IIAAMO CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000020452932 524031898 /nfs/dbraw/zinc/03/18/98/524031898.db2.gz VSNMZBSHGDFQME-FQEVSTJZSA-N 1 1 439.991 4.006 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c(OC)c1 ZINC000012440758 524047990 /nfs/dbraw/zinc/04/79/90/524047990.db2.gz ZCOANTGMPCLEBU-QGZVFWFLSA-N 1 1 432.511 4.291 50 0 IIAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012877611 524278049 /nfs/dbraw/zinc/27/80/49/524278049.db2.gz QDIJJVLCUHBFMJ-INIZCTEOSA-N 1 1 433.474 4.061 50 0 IIAAMO COc1ccccc1-n1cc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@@H+]24)cn1 ZINC000012706958 524306138 /nfs/dbraw/zinc/30/61/38/524306138.db2.gz XZVDFZDEICRLJJ-DPPGTGKWSA-N 1 1 442.563 4.127 50 0 IIAAMO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000012866701 524419669 /nfs/dbraw/zinc/41/96/69/524419669.db2.gz OIPMLQRSGHHVDU-MZBJOSPHSA-N 1 1 436.552 4.339 50 0 biogenic IIAAMO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000012866701 524419676 /nfs/dbraw/zinc/41/96/76/524419676.db2.gz OIPMLQRSGHHVDU-MZBJOSPHSA-N 1 1 436.552 4.339 50 0 biogenic IIAAMO COc1ccccc1CN1C(=O)c2ccccc2[C@H]1C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000020686630 524446365 /nfs/dbraw/zinc/44/63/65/524446365.db2.gz CWBVYSVMGATHOX-DFIYOIEZSA-N 1 1 449.595 4.162 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1F ZINC000022908284 525006201 /nfs/dbraw/zinc/00/62/01/525006201.db2.gz OQZPDKDJLLUQSK-OAQYLSRUSA-N 1 1 437.540 4.050 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1F ZINC000022908284 525006209 /nfs/dbraw/zinc/00/62/09/525006209.db2.gz OQZPDKDJLLUQSK-OAQYLSRUSA-N 1 1 437.540 4.050 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc2)C1 ZINC000252457195 525384922 /nfs/dbraw/zinc/38/49/22/525384922.db2.gz MDKPLYDOFXURCF-OHUGHZGNSA-N 1 1 449.595 4.212 50 0 IIAAMO COc1cccc(-n2cc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c3ccccc3c2=O)c1 ZINC000020904530 525750591 /nfs/dbraw/zinc/75/05/91/525750591.db2.gz NOFYPZKLSMATRJ-BGYRXZFFSA-N 1 1 447.579 4.382 50 0 IIAAMO Cc1ccc(-c2nc(C(=O)NCCC[NH+]3CCOCC3)cc3c4ccccc4[nH]c32)cc1 ZINC000020611337 525800547 /nfs/dbraw/zinc/80/05/47/525800547.db2.gz AOAIVWHJDSQHEK-UHFFFAOYSA-N 1 1 428.536 4.144 50 0 biogenic IIAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1cc(COc2ccc(F)c(F)c2)on1 ZINC000012300956 526311588 /nfs/dbraw/zinc/31/15/88/526311588.db2.gz RCYRDBASDLOGJW-GOSISDBHSA-N 1 1 441.478 4.141 50 0 IIAAMO Fc1cccc(NCc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000021531638 526395596 /nfs/dbraw/zinc/39/55/96/526395596.db2.gz FOMRNRUUZIQICU-UHFFFAOYSA-N 1 1 448.571 4.402 50 0 IIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1ccc2nsnc2c1 ZINC000020601064 526495871 /nfs/dbraw/zinc/49/58/71/526495871.db2.gz KIGKFIBOKCBLJG-DEOSSOPVSA-N 1 1 444.560 4.334 50 0 IIAAMO O=C(CC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020450824 526569761 /nfs/dbraw/zinc/56/97/61/526569761.db2.gz GYOBSGHUCWVBFJ-HHHXNRCGSA-N 1 1 433.640 4.456 50 0 IIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1)c1[nH]nc2ccccc21 ZINC000012443433 526595177 /nfs/dbraw/zinc/59/51/77/526595177.db2.gz YQDBZWUURZJLCN-QGZVFWFLSA-N 1 1 431.565 4.328 50 0 IIAAMO O=C(c1ccccc1Cc1cc2ccccc2c(=O)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020426346 526802964 /nfs/dbraw/zinc/80/29/64/526802964.db2.gz PSPOYSSNZVUZFB-UHFFFAOYSA-N 1 1 438.527 4.342 50 0 IIAAMO O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000034711099 555824074 /nfs/dbraw/zinc/82/40/74/555824074.db2.gz CDVZHNAGNRTIEH-ZEQRLZLVSA-N 1 1 428.532 4.337 50 0 IIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)nc2ccccc21 ZINC000011819401 556361563 /nfs/dbraw/zinc/36/15/63/556361563.db2.gz HCFJMAKPFKTSKE-HXUWFJFHSA-N 1 1 442.567 4.401 50 0 IIAAMO O=C(CCC1CCN(c2ncccc2Cl)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012056528 556394215 /nfs/dbraw/zinc/39/42/15/556394215.db2.gz BFLXJOWMIUWVGI-NRFANRHFSA-N 1 1 426.992 4.122 50 0 IIAAMO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012057740 556394978 /nfs/dbraw/zinc/39/49/78/556394978.db2.gz AXZSQEPUJYOBBA-JOCHJYFZSA-N 1 1 441.938 4.076 50 0 IIAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)CCCc4cccs4)CC3)n2)cc1 ZINC000032824358 556409611 /nfs/dbraw/zinc/40/96/11/556409611.db2.gz JGAWQPDXPFZFNY-UHFFFAOYSA-N 1 1 438.597 4.206 50 0 IIAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014963549 556465072 /nfs/dbraw/zinc/46/50/72/556465072.db2.gz CHFPCCGUJJPDDB-KGAYOUTBSA-N 1 1 443.595 4.050 50 0 IIAAMO C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCCC2)C1 ZINC000014969731 556466783 /nfs/dbraw/zinc/46/67/83/556466783.db2.gz HIHWBVSTWFUZIB-IBGZPJMESA-N 1 1 436.552 4.315 50 0 IIAAMO C[N@@H+]1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030029979 556489920 /nfs/dbraw/zinc/48/99/20/556489920.db2.gz SFZUDZSYTMGNGS-LOSJGSFVSA-N 1 1 427.548 4.063 50 0 IIAAMO C[N@H+]1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030029979 556489923 /nfs/dbraw/zinc/48/99/23/556489923.db2.gz SFZUDZSYTMGNGS-LOSJGSFVSA-N 1 1 427.548 4.063 50 0 IIAAMO O=C1c2cccc(N3CC[NH+](Cc4ccco4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000015072997 556497377 /nfs/dbraw/zinc/49/73/77/556497377.db2.gz MDCDEMYQPUPPJL-UHFFFAOYSA-N 1 1 435.911 4.051 50 0 IIAAMO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1)CC2 ZINC000072294865 556514730 /nfs/dbraw/zinc/51/47/30/556514730.db2.gz CWMJUDKHKGHCSU-OFAXGOBFSA-N 1 1 440.609 4.417 50 0 IIAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000013556658 556516799 /nfs/dbraw/zinc/51/67/99/556516799.db2.gz XRTBSOUYSOFXJB-BJKOFHAPSA-N 1 1 436.471 4.277 50 0 IIAAMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000015548569 556534389 /nfs/dbraw/zinc/53/43/89/556534389.db2.gz DYCAWCCDAROXCQ-LJQANCHMSA-N 1 1 434.483 4.149 50 0 IIAAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000015548569 556534390 /nfs/dbraw/zinc/53/43/90/556534390.db2.gz DYCAWCCDAROXCQ-LJQANCHMSA-N 1 1 434.483 4.149 50 0 IIAAMO Cc1ccc2nc(C[N@@H+]3CC4(CCCC4)c4cc5c(cc4[C@@H]3C)OCCO5)cc(=O)n2c1 ZINC000011087392 556537366 /nfs/dbraw/zinc/53/73/66/556537366.db2.gz FPBGLSDEDHPRQC-SFHVURJKSA-N 1 1 431.536 4.163 50 0 IIAAMO Cc1ccc2nc(C[N@H+]3CC4(CCCC4)c4cc5c(cc4[C@@H]3C)OCCO5)cc(=O)n2c1 ZINC000011087392 556537372 /nfs/dbraw/zinc/53/73/72/556537372.db2.gz FPBGLSDEDHPRQC-SFHVURJKSA-N 1 1 431.536 4.163 50 0 IIAAMO COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000036370638 556597567 /nfs/dbraw/zinc/59/75/67/556597567.db2.gz SMDGYUXIZWCCHF-DSZWUSLFSA-N 1 1 441.524 4.414 50 0 IIAAMO COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cc(Cl)c(O)c(OC)c3)CC2)cc1 ZINC000011813062 556658185 /nfs/dbraw/zinc/65/81/85/556658185.db2.gz DJWISZYNNRCGGR-UHFFFAOYSA-N 1 1 432.992 4.449 50 0 IIAAMO O=C(C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1c[nH]nc1-c1ccccc1 ZINC000043056841 556660818 /nfs/dbraw/zinc/66/08/18/556660818.db2.gz QHTNDVYCUBMJSZ-RUZDIDTESA-N 1 1 438.531 4.329 50 0 IIAAMO O=C(C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1c[nH]nc1-c1ccccc1 ZINC000043056841 556660821 /nfs/dbraw/zinc/66/08/21/556660821.db2.gz QHTNDVYCUBMJSZ-RUZDIDTESA-N 1 1 438.531 4.329 50 0 IIAAMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4cccc(C)c4)oc3C)C2)cc1 ZINC000013574583 556698346 /nfs/dbraw/zinc/69/83/46/556698346.db2.gz FEGIRYMCKCJPBY-QFIPXVFZSA-N 1 1 433.552 4.495 50 0 IIAAMO O=C1CC[N@H+](Cc2ccccc2C(F)(F)F)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000055119134 556735343 /nfs/dbraw/zinc/73/53/43/556735343.db2.gz JYFNAKRMYOLKOR-UHFFFAOYSA-N 1 1 440.849 4.322 50 0 IIAAMO O=C1CC[N@@H+](Cc2ccccc2C(F)(F)F)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000055119134 556735346 /nfs/dbraw/zinc/73/53/46/556735346.db2.gz JYFNAKRMYOLKOR-UHFFFAOYSA-N 1 1 440.849 4.322 50 0 IIAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058020263 556754522 /nfs/dbraw/zinc/75/45/22/556754522.db2.gz DWVIPVGAMPEJLF-UHFFFAOYSA-N 1 1 448.592 4.363 50 0 IIAAMO CCOc1ccccc1Oc1ccc(CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000058155737 556762542 /nfs/dbraw/zinc/76/25/42/556762542.db2.gz RYXYZZCCHGBDTN-LJQANCHMSA-N 1 1 426.561 4.336 50 0 IIAAMO Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058247319 556775468 /nfs/dbraw/zinc/77/54/68/556775468.db2.gz YHGUMOYCEQJFHK-UKILVPOCSA-N 1 1 433.596 4.018 50 0 IIAAMO Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058247317 556775580 /nfs/dbraw/zinc/77/55/80/556775580.db2.gz YHGUMOYCEQJFHK-NOZRDPDXSA-N 1 1 433.596 4.018 50 0 IIAAMO C[NH+]1CCN(CC(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 ZINC000019708399 556868891 /nfs/dbraw/zinc/86/88/91/556868891.db2.gz YMDSAGGVFVRPDF-VWLOTQADSA-N 1 1 426.004 4.409 50 0 IIAAMO C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1cccc(Cl)c1 ZINC000011228554 556876026 /nfs/dbraw/zinc/87/60/26/556876026.db2.gz MEQKMUSIKRCUQI-CQSZACIVSA-N 1 1 441.881 4.276 50 0 IIAAMO C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000011228554 556876029 /nfs/dbraw/zinc/87/60/29/556876029.db2.gz MEQKMUSIKRCUQI-CQSZACIVSA-N 1 1 441.881 4.276 50 0 IIAAMO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)c(C)c1 ZINC000019879894 556936854 /nfs/dbraw/zinc/93/68/54/556936854.db2.gz WIUZYCLKMQWEOH-RUZDIDTESA-N 1 1 444.575 4.096 50 0 IIAAMO O=C(COc1ccc(Br)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019889272 556938632 /nfs/dbraw/zinc/93/86/32/556938632.db2.gz PGCBOFAWAHKGHK-UHFFFAOYSA-N 1 1 439.353 4.326 50 0 IIAAMO O=C(CC[NH+]1CCN(Cc2ccc(Br)s2)CC1)Nc1ccccc1Cl ZINC000022932010 557050568 /nfs/dbraw/zinc/05/05/68/557050568.db2.gz DXIOYSZEOOKTGZ-UHFFFAOYSA-N 1 1 442.810 4.310 50 0 IIAAMO CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022933200 557050892 /nfs/dbraw/zinc/05/08/92/557050892.db2.gz AMZXWMPESHIFOV-KRWDZBQOSA-N 1 1 436.581 4.005 50 0 IIAAMO Clc1ccc(-c2cc3ncnc(NC[C@@H]([C@@H]4CCOC4)[NH+]4CCOCC4)c3s2)cc1 ZINC000048326449 557068668 /nfs/dbraw/zinc/06/86/68/557068668.db2.gz XDWOEZCPXKWZRE-APWZRJJASA-N 1 1 444.988 4.161 50 0 IIAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000023339697 557085539 /nfs/dbraw/zinc/08/55/39/557085539.db2.gz LBSKZTXUDXMPBZ-HXUWFJFHSA-N 1 1 447.604 4.326 50 0 IIAAMO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000023339363 557085694 /nfs/dbraw/zinc/08/56/94/557085694.db2.gz XDZZASQZPMEHDP-JOCHJYFZSA-N 1 1 447.579 4.367 50 0 IIAAMO CC[N@H+]1CCC[C@H](N2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)C1 ZINC000023359882 557087314 /nfs/dbraw/zinc/08/73/14/557087314.db2.gz UUSXBMHOJNAKPE-FQEVSTJZSA-N 1 1 434.024 4.294 50 0 IIAAMO CCN1CCC[C@H]([NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)C1 ZINC000023359882 557087315 /nfs/dbraw/zinc/08/73/15/557087315.db2.gz UUSXBMHOJNAKPE-FQEVSTJZSA-N 1 1 434.024 4.294 50 0 IIAAMO CC[NH+]1CCN(C(=O)Cn2c(Cc3ccc(F)cc3)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000085407311 557101248 /nfs/dbraw/zinc/10/12/48/557101248.db2.gz RHGHWWBLBFPWPK-UHFFFAOYSA-N 1 1 449.357 4.237 50 0 IIAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000024766109 557165292 /nfs/dbraw/zinc/16/52/92/557165292.db2.gz TUXIWTSCBHDMCL-AREMUKBSSA-N 1 1 431.605 4.353 50 0 IIAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000024766109 557165297 /nfs/dbraw/zinc/16/52/97/557165297.db2.gz TUXIWTSCBHDMCL-AREMUKBSSA-N 1 1 431.605 4.353 50 0 IIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](C)O ZINC000096230637 557185000 /nfs/dbraw/zinc/18/50/00/557185000.db2.gz OMOGMPYQUXKTFC-MRXNPFEDSA-N 1 1 431.483 4.080 50 0 IIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](C)O ZINC000096230637 557185002 /nfs/dbraw/zinc/18/50/02/557185002.db2.gz OMOGMPYQUXKTFC-MRXNPFEDSA-N 1 1 431.483 4.080 50 0 IIAAMO O[C@H](COc1ccc(F)cc1Cl)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025336227 557204950 /nfs/dbraw/zinc/20/49/50/557204950.db2.gz ILBOPHLDZBAFTI-KRWDZBQOSA-N 1 1 432.845 4.060 50 0 IIAAMO Cc1c2ccc(Br)cc2oc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000027583354 557266905 /nfs/dbraw/zinc/26/69/05/557266905.db2.gz MPVDGXRDFUQNQD-UHFFFAOYSA-N 1 1 435.362 4.269 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=S)NC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000103051992 557417024 /nfs/dbraw/zinc/41/70/24/557417024.db2.gz GUGWXKDUQGFROS-MHECFPHRSA-N 1 1 441.641 4.373 50 0 IIAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000103333547 557434065 /nfs/dbraw/zinc/43/40/65/557434065.db2.gz RYGOEUQVJYQQQX-NOZRDPDXSA-N 1 1 426.516 4.145 50 0 IIAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104919853 557465824 /nfs/dbraw/zinc/46/58/24/557465824.db2.gz NOLLZUXNQXRROR-AZGAKELHSA-N 1 1 429.539 4.005 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2)C1 ZINC000105010188 557471997 /nfs/dbraw/zinc/47/19/97/557471997.db2.gz CWHIBUSIEMDKFP-WIOPSUGQSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2)C1 ZINC000105010188 557472000 /nfs/dbraw/zinc/47/20/00/557472000.db2.gz CWHIBUSIEMDKFP-WIOPSUGQSA-N 1 1 447.579 4.256 50 0 IIAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5CC(=O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000105539966 557507362 /nfs/dbraw/zinc/50/73/62/557507362.db2.gz HIDAYMRWVVNXAO-CZQPNKPSSA-N 1 1 427.629 4.095 50 0 biogenic IIAAMO Cc1cc(C)c2oc(C(=O)NC[C@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)cc(=O)c2c1 ZINC000238881566 557841740 /nfs/dbraw/zinc/84/17/40/557841740.db2.gz AVOBSAPQHIMKAG-GOSISDBHSA-N 1 1 432.442 4.461 50 0 IIAAMO COc1ccc([C@@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440825 563024982 /nfs/dbraw/zinc/02/49/82/563024982.db2.gz VARZVSBFQFXSMO-AHKZPQOWSA-N 1 1 433.548 4.056 50 0 IIAAMO CCOc1ccc(CN2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@H]2CCO)cc1 ZINC000036385719 563094476 /nfs/dbraw/zinc/09/44/76/563094476.db2.gz ZMNCFUGXZWTEJY-JOCHJYFZSA-N 1 1 437.609 4.278 50 0 IIAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@H]2CCO)cc1 ZINC000036385719 563094477 /nfs/dbraw/zinc/09/44/77/563094477.db2.gz ZMNCFUGXZWTEJY-JOCHJYFZSA-N 1 1 437.609 4.278 50 0 IIAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000058085776 563143416 /nfs/dbraw/zinc/14/34/16/563143416.db2.gz QQHOVWIRORFMSP-FCHUYYIVSA-N 1 1 448.032 4.060 50 0 IIAAMO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297844 568626233 /nfs/dbraw/zinc/62/62/33/568626233.db2.gz CKAIOLMSJKMRMH-AWEZNQCLSA-N 1 1 427.661 4.322 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297844 568626234 /nfs/dbraw/zinc/62/62/34/568626234.db2.gz CKAIOLMSJKMRMH-AWEZNQCLSA-N 1 1 427.661 4.322 50 0 IIAAMO CCOC(=O)c1cnn2c1-c1cc(F)c(N3CCCC3)c(F)c1-n1c3ccccc3[nH+]c1-2 ZINC000000978205 568648493 /nfs/dbraw/zinc/64/84/93/568648493.db2.gz IBYIBSPKBUAOND-UHFFFAOYSA-N 1 1 435.434 4.247 50 0 IIAAMO CCOc1cc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)ccc1O ZINC000299768983 568756650 /nfs/dbraw/zinc/75/66/50/568756650.db2.gz KRRNZBQKRUATBV-UXHICEINSA-N 1 1 432.561 4.190 50 0 IIAAMO CCOc1cc(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)ccc1O ZINC000299768983 568756651 /nfs/dbraw/zinc/75/66/51/568756651.db2.gz KRRNZBQKRUATBV-UXHICEINSA-N 1 1 432.561 4.190 50 0 IIAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982817 568839171 /nfs/dbraw/zinc/83/91/71/568839171.db2.gz OAEOAMSQRAPKEH-LOSJGSFVSA-N 1 1 448.538 4.399 50 0 IIAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982817 568839172 /nfs/dbraw/zinc/83/91/72/568839172.db2.gz OAEOAMSQRAPKEH-LOSJGSFVSA-N 1 1 448.538 4.399 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1c2cc(C)cc1C ZINC000016027303 568864846 /nfs/dbraw/zinc/86/48/46/568864846.db2.gz VPBLXOLTDCARML-READRUSDSA-N 1 1 439.943 4.236 50 0 IIAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000245312355 568914694 /nfs/dbraw/zinc/91/46/94/568914694.db2.gz URXXWCUIYWGBRM-YMSRPXOMSA-N 1 1 436.552 4.339 50 0 IIAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000245312355 568914696 /nfs/dbraw/zinc/91/46/96/568914696.db2.gz URXXWCUIYWGBRM-YMSRPXOMSA-N 1 1 436.552 4.339 50 0 IIAAMO COc1ccc(Cl)cc1C(=O)N1CCN(c2nc(Nc3ccccc3)cc(C)[nH+]2)CC1 ZINC000064450172 568929002 /nfs/dbraw/zinc/92/90/02/568929002.db2.gz PCPHLZVECIWDSG-UHFFFAOYSA-N 1 1 437.931 4.153 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2)cc1OC ZINC000036095988 568951642 /nfs/dbraw/zinc/95/16/42/568951642.db2.gz RPIRPYWJKQKOGA-JOCHJYFZSA-N 1 1 425.500 4.285 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)cc1 ZINC000036102306 568952733 /nfs/dbraw/zinc/95/27/33/568952733.db2.gz NXSWIEPEWREQHE-QHCPKHFHSA-N 1 1 435.520 4.004 50 0 IIAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801880 568961459 /nfs/dbraw/zinc/96/14/59/568961459.db2.gz DPBOMPCXVLPMSQ-UHFFFAOYSA-N 1 1 441.532 4.459 50 0 IIAAMO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169678694 568989891 /nfs/dbraw/zinc/98/98/91/568989891.db2.gz DKNUMTGHKPSIRT-IRLDBZIGSA-N 1 1 447.501 4.220 50 0 IIAAMO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2)C1 ZINC000169679005 568990149 /nfs/dbraw/zinc/99/01/49/568990149.db2.gz YFCYLQFKSYXUAZ-NOZRDPDXSA-N 1 1 430.548 4.430 50 0 IIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](CCC(C)C)C[C@@H](C)O)cc1 ZINC000036309167 568995984 /nfs/dbraw/zinc/99/59/84/568995984.db2.gz UFQXTZFKTJRBJN-NFBKMPQASA-N 1 1 444.641 4.290 50 0 IIAAMO CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC(C)C ZINC000036309560 568996322 /nfs/dbraw/zinc/99/63/22/568996322.db2.gz KFBPRVOSTGVXRB-KNQAVFIVSA-N 1 1 448.604 4.121 50 0 IIAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341794 569079033 /nfs/dbraw/zinc/07/90/33/569079033.db2.gz UAHWEEMXDBHQLM-HXUWFJFHSA-N 1 1 425.916 4.232 50 0 IIAAMO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000036344496 569080233 /nfs/dbraw/zinc/08/02/33/569080233.db2.gz DBABPDXHSIYCAA-QHCPKHFHSA-N 1 1 439.531 4.253 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036345570 569080571 /nfs/dbraw/zinc/08/05/71/569080571.db2.gz QGSWPEOPTDVNBV-ZCYQVOJMSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)C1 ZINC000036345570 569080572 /nfs/dbraw/zinc/08/05/72/569080572.db2.gz QGSWPEOPTDVNBV-ZCYQVOJMSA-N 1 1 447.579 4.256 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COC ZINC000036346611 569081360 /nfs/dbraw/zinc/08/13/60/569081360.db2.gz VNXVZEIYYQESOH-FQEVSTJZSA-N 1 1 445.510 4.471 50 0 IIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036346684 569081377 /nfs/dbraw/zinc/08/13/77/569081377.db2.gz MAHNQIUMVYUFOQ-INIZCTEOSA-N 1 1 431.483 4.080 50 0 IIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036346684 569081378 /nfs/dbraw/zinc/08/13/78/569081378.db2.gz MAHNQIUMVYUFOQ-INIZCTEOSA-N 1 1 431.483 4.080 50 0 IIAAMO C[N@@H+](CCCNCc1cccn1-c1nnc(N2CCCCCC2)s1)C1CCCCC1 ZINC000007002153 569117461 /nfs/dbraw/zinc/11/74/61/569117461.db2.gz QDAWOTSFUHQOOY-UHFFFAOYSA-N 1 1 430.666 4.453 50 0 IIAAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037210705 569140811 /nfs/dbraw/zinc/14/08/11/569140811.db2.gz VMSCUJJAWUUCAI-OALUTQOASA-N 1 1 440.565 4.127 50 0 IIAAMO O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000079045184 569323145 /nfs/dbraw/zinc/32/31/45/569323145.db2.gz QIUXMSCJUGRREC-SFHVURJKSA-N 1 1 438.622 4.119 50 0 IIAAMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)CC2)cs1 ZINC000079053162 569323543 /nfs/dbraw/zinc/32/35/43/569323543.db2.gz ZBKKSPNZLDLTIY-INIZCTEOSA-N 1 1 437.009 4.040 50 0 IIAAMO C[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000095469132 569371361 /nfs/dbraw/zinc/37/13/61/569371361.db2.gz WJBZKIMZARVSQZ-KBPBESRZSA-N 1 1 432.918 4.325 50 0 IIAAMO COc1ccc(Br)cc1CCC(=O)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685630 569407106 /nfs/dbraw/zinc/40/71/06/569407106.db2.gz NLWLIKKZPJCWHA-OAQYLSRUSA-N 1 1 443.385 4.050 50 0 IIAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000057403310 569433664 /nfs/dbraw/zinc/43/36/64/569433664.db2.gz DDPDRQHNZAGKTF-QFIPXVFZSA-N 1 1 427.501 4.172 50 0 IIAAMO O=c1[nH]c(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nc2c3ccccc3oc21 ZINC000029846652 569435372 /nfs/dbraw/zinc/43/53/72/569435372.db2.gz NSVZLKZTIZDSNP-UHFFFAOYSA-N 1 1 442.441 4.006 50 0 IIAAMO C[N@@H+]1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000230151948 569439548 /nfs/dbraw/zinc/43/95/48/569439548.db2.gz SFZUDZSYTMGNGS-RPBOFIJWSA-N 1 1 427.548 4.063 50 0 IIAAMO C[N@H+]1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000230151948 569439549 /nfs/dbraw/zinc/43/95/49/569439549.db2.gz SFZUDZSYTMGNGS-RPBOFIJWSA-N 1 1 427.548 4.063 50 0 IIAAMO C[N@@H+](CCCNC(=O)c1cccc(OCc2cn3ccccc3n2)c1)Cc1ccccc1 ZINC000058442781 569454839 /nfs/dbraw/zinc/45/48/39/569454839.db2.gz PZDMUEYAXFTKAN-UHFFFAOYSA-N 1 1 428.536 4.165 50 0 IIAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccnc2)N2CC[NH+](C)CC2)c1C ZINC000038546745 569463664 /nfs/dbraw/zinc/46/36/64/569463664.db2.gz ZIHKAIHSFFLWTO-FQEVSTJZSA-N 1 1 426.611 4.411 50 0 IIAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@H](C)C(C)C)cc1 ZINC000245327523 569503696 /nfs/dbraw/zinc/50/36/96/569503696.db2.gz JYJXTTTUPQDWMQ-WIYYLYMNSA-N 1 1 429.561 4.029 50 0 IIAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@H](C)C(C)C)cc1 ZINC000245327523 569503697 /nfs/dbraw/zinc/50/36/97/569503697.db2.gz JYJXTTTUPQDWMQ-WIYYLYMNSA-N 1 1 429.561 4.029 50 0 IIAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000245330063 569504102 /nfs/dbraw/zinc/50/41/02/569504102.db2.gz WUMWIJAUPGVCBR-NJNPRVFISA-N 1 1 448.604 4.121 50 0 IIAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CC(=O)Nc3cccc(F)c3)c2c1C ZINC000009387691 569528516 /nfs/dbraw/zinc/52/85/16/569528516.db2.gz MOSKGAFMIOJJMC-UHFFFAOYSA-N 1 1 427.549 4.118 50 0 IIAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)Oc1c3ccccc3ccc1[C@@H]2c1ccco1 ZINC000009430096 569533886 /nfs/dbraw/zinc/53/38/86/569533886.db2.gz BBYOQDUOHBADHE-JOCHJYFZSA-N 1 1 442.519 4.117 50 0 IIAAMO CCOc1cc(C[NH2+]Cc2nc3ccccc3[nH]2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000009464568 569537701 /nfs/dbraw/zinc/53/77/01/569537701.db2.gz ROOINJHNPOLOAI-UHFFFAOYSA-N 1 1 438.572 4.276 50 0 IIAAMO COc1ccccc1[C@@H](CNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)[NH+](C)C ZINC000009591343 569550184 /nfs/dbraw/zinc/55/01/84/569550184.db2.gz SBMSMRWJGGCERF-HXUWFJFHSA-N 1 1 440.975 4.243 50 0 IIAAMO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000010109398 569577933 /nfs/dbraw/zinc/57/79/33/569577933.db2.gz YDXGBWVUEGJJEL-CYBMUJFWSA-N 1 1 425.554 4.103 50 0 IIAAMO CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000010109398 569577934 /nfs/dbraw/zinc/57/79/34/569577934.db2.gz YDXGBWVUEGJJEL-CYBMUJFWSA-N 1 1 425.554 4.103 50 0 IIAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)nn2)CC1 ZINC000010186599 132243219 /nfs/dbraw/zinc/24/32/19/132243219.db2.gz UISJROFCGNFXJH-UHFFFAOYSA-N 1 1 441.457 4.167 50 0 IIAAMO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000020540140 519023158 /nfs/dbraw/zinc/02/31/58/519023158.db2.gz LTTFUUJKOWLYKN-IBGZPJMESA-N 1 1 427.614 4.372 50 0 IIAAMO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000020540140 519023168 /nfs/dbraw/zinc/02/31/68/519023168.db2.gz LTTFUUJKOWLYKN-IBGZPJMESA-N 1 1 427.614 4.372 50 0 IIAAMO CC[N@@H+](CCCNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C)Cc1ccccc1 ZINC000015942771 521022053 /nfs/dbraw/zinc/02/20/53/521022053.db2.gz LRIFMSZLSSBYOD-UHFFFAOYSA-N 1 1 427.570 4.149 50 0 IIAAMO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022908266 521047135 /nfs/dbraw/zinc/04/71/35/521047135.db2.gz AEOWHXSYOXMGTG-QFIPXVFZSA-N 1 1 449.576 4.001 50 0 IIAAMO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022908266 521047141 /nfs/dbraw/zinc/04/71/41/521047141.db2.gz AEOWHXSYOXMGTG-QFIPXVFZSA-N 1 1 449.576 4.001 50 0 IIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(C(=O)OC)cc1 ZINC000012092447 521220103 /nfs/dbraw/zinc/22/01/03/521220103.db2.gz KJBRRHNBDKRETL-HXUWFJFHSA-N 1 1 426.532 4.029 50 0 IIAAMO CCOc1ccc([C@@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444408 521250412 /nfs/dbraw/zinc/25/04/12/521250412.db2.gz SJWUHMNAKMLBIW-IXCJQBJRSA-N 1 1 447.575 4.446 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH2+]CCN(CC)CC ZINC000022917244 521370265 /nfs/dbraw/zinc/37/02/65/521370265.db2.gz PALABAGUCGTJRB-UHFFFAOYSA-N 1 1 437.993 4.115 50 0 IIAAMO COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2CCn2ccnc2C)cc(OC)c1OC ZINC000012437413 521900263 /nfs/dbraw/zinc/90/02/63/521900263.db2.gz GWAOYTHVBQTDQB-HXUWFJFHSA-N 1 1 439.560 4.052 50 0 IIAAMO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1cccc(Cl)c1 ZINC000012749032 522454377 /nfs/dbraw/zinc/45/43/77/522454377.db2.gz WADKBZLTRGANNW-KRWDZBQOSA-N 1 1 425.838 4.078 50 0 IIAAMO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1cccc(Cl)c1 ZINC000012749032 522454386 /nfs/dbraw/zinc/45/43/86/522454386.db2.gz WADKBZLTRGANNW-KRWDZBQOSA-N 1 1 425.838 4.078 50 0 IIAAMO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000012818907 522825337 /nfs/dbraw/zinc/82/53/37/522825337.db2.gz WAOOXCJWYMESLK-UHFFFAOYSA-N 1 1 444.547 4.303 50 0 IIAAMO COc1cc(OC)cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)c1 ZINC000012443474 522881260 /nfs/dbraw/zinc/88/12/60/522881260.db2.gz LFHGHLVYMWZJIP-OEOAZWSVSA-N 1 1 426.944 4.295 50 0 IIAAMO CCn1c(C)cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697141 523141767 /nfs/dbraw/zinc/14/17/67/523141767.db2.gz IVKKVSIPUKJZEM-DEOSSOPVSA-N 1 1 439.506 4.072 50 0 IIAAMO C[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000012152231 523417484 /nfs/dbraw/zinc/41/74/84/523417484.db2.gz ALTAIULUHICPRB-HHHXNRCGSA-N 1 1 443.591 4.442 50 0 IIAAMO CCc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)cc1 ZINC000021039856 523929978 /nfs/dbraw/zinc/92/99/78/523929978.db2.gz ZALLFNZHBUEQGJ-UHFFFAOYSA-N 1 1 431.559 4.063 50 0 IIAAMO CCc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)cc1 ZINC000021039856 523929986 /nfs/dbraw/zinc/92/99/86/523929986.db2.gz ZALLFNZHBUEQGJ-UHFFFAOYSA-N 1 1 431.559 4.063 50 0 IIAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cn1 ZINC000012759700 524303896 /nfs/dbraw/zinc/30/38/96/524303896.db2.gz ZCDNLBXMJAWGQF-XMMPIXPASA-N 1 1 425.960 4.352 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccco2)CC3)c1 ZINC000020917515 524368636 /nfs/dbraw/zinc/36/86/36/524368636.db2.gz ISDXVQLGWDXZTK-JOCHJYFZSA-N 1 1 435.572 4.063 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccco2)CC3)c1 ZINC000020917515 524368643 /nfs/dbraw/zinc/36/86/43/524368643.db2.gz ISDXVQLGWDXZTK-JOCHJYFZSA-N 1 1 435.572 4.063 50 0 IIAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2ccccc2)c(OC)c1)[NH+](C)C ZINC000012761109 524734724 /nfs/dbraw/zinc/73/47/24/524734724.db2.gz QCSXILYGMUYMGG-JOCHJYFZSA-N 1 1 434.536 4.316 50 0 IIAAMO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000012813939 524881996 /nfs/dbraw/zinc/88/19/96/524881996.db2.gz PUFIKXXXZCVCNS-MRXNPFEDSA-N 1 1 439.581 4.370 50 0 IIAAMO C[C@@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020857439 525138334 /nfs/dbraw/zinc/13/83/34/525138334.db2.gz KXPDHYPHPNQWGB-WZONZLPQSA-N 1 1 425.623 4.420 50 0 IIAAMO Cc1cccn2c(C[N@H+]3CCCC[C@H]3CCCO)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012317856 525463985 /nfs/dbraw/zinc/46/39/85/525463985.db2.gz PIYZFFDZVRUDKU-QHCPKHFHSA-N 1 1 448.611 4.084 50 0 IIAAMO COc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCOCC1)c2Sc1ccc(C)cc1 ZINC000020466814 525598222 /nfs/dbraw/zinc/59/82/22/525598222.db2.gz PZLMLXOTSVHKLR-UHFFFAOYSA-N 1 1 439.581 4.088 50 0 IIAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4c[nH]nc4-c4cccc(F)c4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000020449750 526163078 /nfs/dbraw/zinc/16/30/78/526163078.db2.gz QISMBIDMAUVXMD-WVBBGBOVSA-N 1 1 432.499 4.167 50 0 IIAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)COc1ccc(N(C)C(=O)C(C)(C)C)cc1 ZINC000012600267 526193806 /nfs/dbraw/zinc/19/38/06/526193806.db2.gz KQAFMCZKNKXFKS-LADGPHEKSA-N 1 1 449.595 4.217 50 0 IIAAMO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)nc(C)n1 ZINC000012372794 526221699 /nfs/dbraw/zinc/22/16/99/526221699.db2.gz WWYQSQVJQKLGPU-LJQANCHMSA-N 1 1 434.506 4.139 50 0 IIAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000022908144 526494139 /nfs/dbraw/zinc/49/41/39/526494139.db2.gz KYMNPOROZKTHPY-FQEVSTJZSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000022908144 526494143 /nfs/dbraw/zinc/49/41/43/526494143.db2.gz KYMNPOROZKTHPY-FQEVSTJZSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(NCc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930086 526654096 /nfs/dbraw/zinc/65/40/96/526654096.db2.gz SROCZKTWVLANBA-UHFFFAOYSA-N 1 1 444.457 4.284 50 0 IIAAMO O=C(NCc1cccc(F)c1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035870684 526718828 /nfs/dbraw/zinc/71/88/28/526718828.db2.gz IXPQYWBERNZOIL-AOYPEHQESA-N 1 1 447.529 4.144 50 0 IIAAMO O=C(NCc1ccccc1C(F)(F)F)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930080 526744561 /nfs/dbraw/zinc/74/45/61/526744561.db2.gz JHSKCUXNKZUWJK-UHFFFAOYSA-N 1 1 444.457 4.284 50 0 IIAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccc(-n4cccn4)c3)[N@H+]3CCC[C@@]123 ZINC000012714617 527038362 /nfs/dbraw/zinc/03/83/62/527038362.db2.gz JLNHZBANHYIYHW-OPHFCASCSA-N 1 1 432.955 4.464 50 0 IIAAMO O=C(CSc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012765139 527067903 /nfs/dbraw/zinc/06/79/03/527067903.db2.gz JEPINZTXJNGTAZ-HNNXBMFYSA-N 1 1 429.895 4.237 50 0 IIAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)o1 ZINC000012703759 527529666 /nfs/dbraw/zinc/52/96/66/527529666.db2.gz LUWDPLGOWNYYPW-OAQYLSRUSA-N 1 1 432.977 4.030 50 0 IIAAMO CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)o2)cc1 ZINC000002297166 555766610 /nfs/dbraw/zinc/76/66/10/555766610.db2.gz NRJAQTVOJFVTQB-HXUWFJFHSA-N 1 1 437.521 4.027 50 0 IIAAMO CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)o2)cc1 ZINC000002297166 555766612 /nfs/dbraw/zinc/76/66/12/555766612.db2.gz NRJAQTVOJFVTQB-HXUWFJFHSA-N 1 1 437.521 4.027 50 0 IIAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)nc1)c1ccccc1F ZINC000034681728 555815314 /nfs/dbraw/zinc/81/53/14/555815314.db2.gz RYPKQJQLLKUEFL-UHFFFAOYSA-N 1 1 440.469 4.464 50 0 IIAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)nc1)c1ccccc1F ZINC000034681728 555815317 /nfs/dbraw/zinc/81/53/17/555815317.db2.gz RYPKQJQLLKUEFL-UHFFFAOYSA-N 1 1 440.469 4.464 50 0 IIAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740315 555883252 /nfs/dbraw/zinc/88/32/52/555883252.db2.gz AATAXLOUXXIGDO-RCZVLFRGSA-N 1 1 425.617 4.390 50 0 IIAAMO COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC ZINC000034800854 555907875 /nfs/dbraw/zinc/90/78/75/555907875.db2.gz ZXDXTZCGQKIDNV-RBUKOAKNSA-N 1 1 442.581 4.071 50 0 IIAAMO C[C@@H]1C[C@H](N2CCN(Cc3ccc(Br)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000097377124 556132247 /nfs/dbraw/zinc/13/22/47/556132247.db2.gz RZZYJTLEPWZAAW-AUSIDOKSSA-N 1 1 443.433 4.015 50 0 IIAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1cccc2nonc21 ZINC000011843850 556367024 /nfs/dbraw/zinc/36/70/24/556367024.db2.gz MYJZBKACISWWAP-JOCHJYFZSA-N 1 1 429.480 4.403 50 0 IIAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1cccc2nonc21 ZINC000011843850 556367027 /nfs/dbraw/zinc/36/70/27/556367027.db2.gz MYJZBKACISWWAP-JOCHJYFZSA-N 1 1 429.480 4.403 50 0 IIAAMO Cc1nc2scc(-c3ccccc3)c2c(N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000014124043 556372893 /nfs/dbraw/zinc/37/28/93/556372893.db2.gz HBCKDQOJDRJEGV-UHFFFAOYSA-N 1 1 437.613 4.094 50 0 IIAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Sc4nncn4C)o3)C2)cc1C ZINC000012026705 556387787 /nfs/dbraw/zinc/38/77/87/556387787.db2.gz XQHHOEOXGBZFGR-QGZVFWFLSA-N 1 1 440.569 4.280 50 0 IIAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Sc4nncn4C)o3)C2)cc1C ZINC000012026705 556387789 /nfs/dbraw/zinc/38/77/89/556387789.db2.gz XQHHOEOXGBZFGR-QGZVFWFLSA-N 1 1 440.569 4.280 50 0 IIAAMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1NC(=O)c1ccccc1 ZINC000032827404 556411468 /nfs/dbraw/zinc/41/14/68/556411468.db2.gz KGYMHIGPFJIIFU-HXUWFJFHSA-N 1 1 427.548 4.424 50 0 IIAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)cc1 ZINC000014958151 556463175 /nfs/dbraw/zinc/46/31/75/556463175.db2.gz BUDZVKWIAGJTOE-SFHVURJKSA-N 1 1 440.540 4.121 50 0 IIAAMO COc1cc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1O ZINC000013547808 556514199 /nfs/dbraw/zinc/51/41/99/556514199.db2.gz ALYOKVANRLSMPO-UHFFFAOYSA-N 1 1 448.588 4.492 50 0 IIAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000072303678 556547820 /nfs/dbraw/zinc/54/78/20/556547820.db2.gz WEVFEZHVTPNGLS-LJQANCHMSA-N 1 1 439.556 4.455 50 0 IIAAMO C[C@@H](NC(=O)[C@H](C)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000072305627 556555999 /nfs/dbraw/zinc/55/59/99/556555999.db2.gz YADUISYPQPXAMR-SJORKVTESA-N 1 1 442.431 4.136 50 0 IIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000015947170 556568096 /nfs/dbraw/zinc/56/80/96/556568096.db2.gz YRSHDPJYNKEGEX-IBGZPJMESA-N 1 1 439.562 4.261 50 0 IIAAMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000015987994 556571496 /nfs/dbraw/zinc/57/14/96/556571496.db2.gz RHMCMTSHSSSXER-UHFFFAOYSA-N 1 1 429.539 4.346 50 0 IIAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](CCC(C)C)C[C@H](C)O)cc1 ZINC000248038860 556657851 /nfs/dbraw/zinc/65/78/51/556657851.db2.gz UFQXTZFKTJRBJN-NZQKXSOJSA-N 1 1 444.641 4.290 50 0 IIAAMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000043726778 556664604 /nfs/dbraw/zinc/66/46/04/556664604.db2.gz IKIRQWQLCVIEQX-IVAOSVALSA-N 1 1 434.923 4.471 50 0 IIAAMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000043726778 556664606 /nfs/dbraw/zinc/66/46/06/556664606.db2.gz IKIRQWQLCVIEQX-IVAOSVALSA-N 1 1 434.923 4.471 50 0 IIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)C(C)(C)C)[N@@H+]2C=Cc4ccccc4[C@H]32)c(C)c1 ZINC000043726431 556664666 /nfs/dbraw/zinc/66/46/66/556664666.db2.gz NOGABQKHFOYBGO-KAOXLYBCSA-N 1 1 428.532 4.434 50 0 IIAAMO COc1cc([C@@H]2c3cc4c(cc3O[C@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000017142015 556669780 /nfs/dbraw/zinc/66/97/80/556669780.db2.gz SMDGYUXIZWCCHF-OJJCTEDXSA-N 1 1 441.524 4.414 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000055168592 556736915 /nfs/dbraw/zinc/73/69/15/556736915.db2.gz ZTOVWRXTPPDPFH-NRFANRHFSA-N 1 1 442.600 4.108 50 0 IIAAMO CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000058078259 556756710 /nfs/dbraw/zinc/75/67/10/556756710.db2.gz GRNQZDWHNFCKSF-SIKLNZKXSA-N 1 1 445.554 4.104 50 0 IIAAMO CCCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058266721 556776784 /nfs/dbraw/zinc/77/67/84/556776784.db2.gz SPVGHTUDFXCZAG-XMMPIXPASA-N 1 1 437.584 4.035 50 0 IIAAMO C(Nc1nc(C2CC2)nc2sc3c(c21)CCCC3)[C@]1([NH+]2CCOCC2)CCSC1 ZINC000062580918 556836617 /nfs/dbraw/zinc/83/66/17/556836617.db2.gz BBIXRAFDBKEUDT-JOCHJYFZSA-N 1 1 430.643 4.067 50 0 IIAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1cccs1 ZINC000033069222 556850752 /nfs/dbraw/zinc/85/07/52/556850752.db2.gz INKXNDUJCKGJEW-UHFFFAOYSA-N 1 1 442.972 4.323 50 0 IIAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1cccs1 ZINC000033069222 556850754 /nfs/dbraw/zinc/85/07/54/556850754.db2.gz INKXNDUJCKGJEW-UHFFFAOYSA-N 1 1 442.972 4.323 50 0 IIAAMO CC[C@H](C)[N@@H+](CCNC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)Cc1cccs1 ZINC000033071078 556851574 /nfs/dbraw/zinc/85/15/74/556851574.db2.gz HUMQFLCFRVQWKL-SFHVURJKSA-N 1 1 439.629 4.258 50 0 IIAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126118 556866676 /nfs/dbraw/zinc/86/66/76/556866676.db2.gz NCDJRTOXHXNGQU-NRFANRHFSA-N 1 1 434.559 4.055 50 0 IIAAMO CCOc1ccc(C[N@@H+](CCOC)Cc2cc(=O)n3nc(-c4ccc(C)cc4)cc3[nH]2)cc1 ZINC000033126353 556867099 /nfs/dbraw/zinc/86/70/99/556867099.db2.gz JVEDLLQTRYYHPH-UHFFFAOYSA-N 1 1 446.551 4.045 50 0 IIAAMO Cc1cccc(CN2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)n1 ZINC000019838104 556928803 /nfs/dbraw/zinc/92/88/03/556928803.db2.gz XWXBNGRTMPCPMM-SANMLTNESA-N 1 1 431.580 4.038 50 0 IIAAMO Cc1cccc(CN2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)n1 ZINC000019838104 556928806 /nfs/dbraw/zinc/92/88/06/556928806.db2.gz XWXBNGRTMPCPMM-SANMLTNESA-N 1 1 431.580 4.038 50 0 IIAAMO Cc1cccc(C[N@@H+]2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)n1 ZINC000019838104 556928808 /nfs/dbraw/zinc/92/88/08/556928808.db2.gz XWXBNGRTMPCPMM-SANMLTNESA-N 1 1 431.580 4.038 50 0 IIAAMO Cc1cccc(C[N@H+]2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)n1 ZINC000019838104 556928811 /nfs/dbraw/zinc/92/88/11/556928811.db2.gz XWXBNGRTMPCPMM-SANMLTNESA-N 1 1 431.580 4.038 50 0 IIAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3nc(CC)sc3n2)cc1 ZINC000046032502 557025115 /nfs/dbraw/zinc/02/51/15/557025115.db2.gz LWMKGJNYAJWWAG-UHFFFAOYSA-N 1 1 434.565 4.315 50 0 IIAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3nc(CC)sc3n2)cc1 ZINC000046032502 557025116 /nfs/dbraw/zinc/02/51/16/557025116.db2.gz LWMKGJNYAJWWAG-UHFFFAOYSA-N 1 1 434.565 4.315 50 0 IIAAMO Cc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N2CC[NH+](C)CC2)o1 ZINC000022938394 557053304 /nfs/dbraw/zinc/05/33/04/557053304.db2.gz LIUSRZQUXRWSHW-QGZVFWFLSA-N 1 1 431.989 4.483 50 0 IIAAMO COc1ccc(OC2CC[NH+](Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1 ZINC000048289262 557054390 /nfs/dbraw/zinc/05/43/90/557054390.db2.gz PGQINOFGIACONU-UHFFFAOYSA-N 1 1 447.560 4.475 50 0 IIAAMO COc1ccc(C[N@@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)cc1C ZINC000023360915 557088022 /nfs/dbraw/zinc/08/80/22/557088022.db2.gz NNBJHHGSYVJZOE-QFIPXVFZSA-N 1 1 437.609 4.196 50 0 IIAAMO COc1ccc(C[N@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)cc1C ZINC000023360915 557088024 /nfs/dbraw/zinc/08/80/24/557088024.db2.gz NNBJHHGSYVJZOE-QFIPXVFZSA-N 1 1 437.609 4.196 50 0 IIAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049547887 557112442 /nfs/dbraw/zinc/11/24/42/557112442.db2.gz SLZNNIGKLVTTRJ-UHFFFAOYSA-N 1 1 444.837 4.315 50 0 IIAAMO COc1cc2nc(C[N@H+](Cc3ccc(F)cc3)C3CCCCC3)[nH]c(=O)c2cc1OC ZINC000023819139 557118686 /nfs/dbraw/zinc/11/86/86/557118686.db2.gz KUYMUFBXIVRUAG-UHFFFAOYSA-N 1 1 425.504 4.414 50 0 IIAAMO COc1cc2nc(C[N@@H+](Cc3ccc(F)cc3)C3CCCCC3)[nH]c(=O)c2cc1OC ZINC000023819139 557118690 /nfs/dbraw/zinc/11/86/90/557118690.db2.gz KUYMUFBXIVRUAG-UHFFFAOYSA-N 1 1 425.504 4.414 50 0 IIAAMO O=C(Cc1csc(Nc2cccc(Cl)c2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023236539 557120228 /nfs/dbraw/zinc/12/02/28/557120228.db2.gz PGZZDFMIPKDDII-UHFFFAOYSA-N 1 1 426.973 4.427 50 0 IIAAMO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000024807748 557168352 /nfs/dbraw/zinc/16/83/52/557168352.db2.gz RLGZGEDOEGYGRA-ZIAGYGMSSA-N 1 1 447.366 4.469 50 0 IIAAMO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccccc1Cl ZINC000024866000 557175374 /nfs/dbraw/zinc/17/53/74/557175374.db2.gz GGBBRPXNFSKIFG-PXAZEXFGSA-N 1 1 425.838 4.297 50 0 IIAAMO C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)CC1(N2CCOCC2)CCCCC1 ZINC000096753149 557204730 /nfs/dbraw/zinc/20/47/30/557204730.db2.gz JUZKYRKNOYVPTA-UHFFFAOYSA-N 1 1 438.494 4.222 50 0 IIAAMO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)CC1(N2CCOCC2)CCCCC1 ZINC000096753149 557204734 /nfs/dbraw/zinc/20/47/34/557204734.db2.gz JUZKYRKNOYVPTA-UHFFFAOYSA-N 1 1 438.494 4.222 50 0 IIAAMO COc1ccc(CC[N@@H+](C)C[C@@H](O)COC(c2ccccc2)c2ccccc2)cc1OC ZINC000025357907 557206030 /nfs/dbraw/zinc/20/60/30/557206030.db2.gz DVUOZSWYDINZHG-XMMPIXPASA-N 1 1 435.564 4.345 50 0 IIAAMO COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)cc(OC)c1OC ZINC000027664523 557270627 /nfs/dbraw/zinc/27/06/27/557270627.db2.gz UXLXXRQLXGXSEN-IBGZPJMESA-N 1 1 432.948 4.323 50 0 IIAAMO Cc1ccccc1S(=O)(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023439709 557357723 /nfs/dbraw/zinc/35/77/23/557357723.db2.gz WMGTWBRWLZLPCF-UHFFFAOYSA-N 1 1 432.589 4.190 50 0 IIAAMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)[nH]n2)cc1 ZINC000257199215 557395408 /nfs/dbraw/zinc/39/54/08/557395408.db2.gz WQOVXVNCVDVXHF-MFVTWZDWSA-N 1 1 432.568 4.121 50 0 IIAAMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)n[nH]2)cc1 ZINC000257199215 557395410 /nfs/dbraw/zinc/39/54/10/557395410.db2.gz WQOVXVNCVDVXHF-MFVTWZDWSA-N 1 1 432.568 4.121 50 0 IIAAMO COc1ccc(-c2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)n[nH]2)cc1 ZINC000257199215 557395412 /nfs/dbraw/zinc/39/54/12/557395412.db2.gz WQOVXVNCVDVXHF-MFVTWZDWSA-N 1 1 432.568 4.121 50 0 IIAAMO CCn1c2ccccc2c2sc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2c1=O ZINC000004939097 557411386 /nfs/dbraw/zinc/41/13/86/557411386.db2.gz IHFHSDJNYXULKW-CALCHBBNSA-N 1 1 425.598 4.334 50 0 IIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](CCC(C)C)C[C@H](C)O)cc1 ZINC000105003823 557470852 /nfs/dbraw/zinc/47/08/52/557470852.db2.gz UFQXTZFKTJRBJN-REWPJTCUSA-N 1 1 444.641 4.290 50 0 IIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000105007815 557471801 /nfs/dbraw/zinc/47/18/01/557471801.db2.gz SGFUTCSASPHGSN-GAJHUEQPSA-N 1 1 439.531 4.395 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000014190483 557836962 /nfs/dbraw/zinc/83/69/62/557836962.db2.gz HMTASVQDFLQKID-OXQOHEQNSA-N 1 1 435.549 4.207 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000014190483 557836964 /nfs/dbraw/zinc/83/69/64/557836964.db2.gz HMTASVQDFLQKID-OXQOHEQNSA-N 1 1 435.549 4.207 50 0 IIAAMO O=C(c1ccccc1)c1ccc(OCCOCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022921240 563025829 /nfs/dbraw/zinc/02/58/29/563025829.db2.gz ZSTJHRUCJAHTDK-UHFFFAOYSA-N 1 1 444.575 4.131 50 0 IIAAMO OCC[C@H]1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC[N@H+]1CC1CCCCC1 ZINC000023373471 568613582 /nfs/dbraw/zinc/61/35/82/568613582.db2.gz IULCOMIOWLJAFM-MHZLTWQESA-N 1 1 425.661 4.093 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982886 568622630 /nfs/dbraw/zinc/62/26/30/568622630.db2.gz KYOBJHSFUQMOCH-LEWJYISDSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982886 568622631 /nfs/dbraw/zinc/62/26/31/568622631.db2.gz KYOBJHSFUQMOCH-LEWJYISDSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984451 568623042 /nfs/dbraw/zinc/62/30/42/568623042.db2.gz DIPUUSKYDCVKJV-VQTJNVASSA-N 1 1 434.939 4.260 50 0 IIAAMO FC(F)(F)c1ccc(N2CCC[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)nc1 ZINC000063517653 568740402 /nfs/dbraw/zinc/74/04/02/568740402.db2.gz INZLWPUPDRVSCW-UHFFFAOYSA-N 1 1 441.501 4.487 50 0 IIAAMO FC(F)(F)c1ccc(N2CCC[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)nc1 ZINC000063517653 568740403 /nfs/dbraw/zinc/74/04/03/568740403.db2.gz INZLWPUPDRVSCW-UHFFFAOYSA-N 1 1 441.501 4.487 50 0 IIAAMO C[N@@H+](CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)Cc1ccccc1 ZINC000015681520 568806781 /nfs/dbraw/zinc/80/67/81/568806781.db2.gz KENRJKLTZCQHEB-UHFFFAOYSA-N 1 1 431.515 4.054 50 0 IIAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc(-n2cnc3cccnc32)cc1)Cc1ccccc1 ZINC000015681925 568806877 /nfs/dbraw/zinc/80/68/77/568806877.db2.gz XDMLUFNHHMFGLA-UHFFFAOYSA-N 1 1 427.552 4.451 50 0 IIAAMO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000015955192 568859613 /nfs/dbraw/zinc/85/96/13/568859613.db2.gz OIPMLQRSGHHVDU-NYMACZPPSA-N 1 1 436.552 4.339 50 0 biogenic IIAAMO Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000015955192 568859614 /nfs/dbraw/zinc/85/96/14/568859614.db2.gz OIPMLQRSGHHVDU-NYMACZPPSA-N 1 1 436.552 4.339 50 0 biogenic IIAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000245313097 568914821 /nfs/dbraw/zinc/91/48/21/568914821.db2.gz ZXXBAAIJVVBJMR-DFCKQENNSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000245313097 568914822 /nfs/dbraw/zinc/91/48/22/568914822.db2.gz ZXXBAAIJVVBJMR-DFCKQENNSA-N 1 1 438.568 4.319 50 0 IIAAMO Cc1c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cnn1-c1cc[nH+]cc1 ZINC000089545065 568936978 /nfs/dbraw/zinc/93/69/78/568936978.db2.gz SOUIAWMAEYWTQQ-TZMCWYRMSA-N 1 1 447.322 4.305 50 0 IIAAMO CCNC(=O)N[C@@H](CC)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006695782 568952421 /nfs/dbraw/zinc/95/24/21/568952421.db2.gz VKESGOSEXZWSNU-XUZZJYLKSA-N 1 1 425.573 4.209 50 0 IIAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146221 568962034 /nfs/dbraw/zinc/96/20/34/568962034.db2.gz VKGQATDSZHLVSF-ZEQRLZLVSA-N 1 1 448.538 4.399 50 0 IIAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146406 568962689 /nfs/dbraw/zinc/96/26/89/568962689.db2.gz RNKZCSCBXFLBRV-RTWAWAEBSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146406 568962691 /nfs/dbraw/zinc/96/26/91/568962691.db2.gz RNKZCSCBXFLBRV-RTWAWAEBSA-N 1 1 434.939 4.260 50 0 IIAAMO CC1(C)C=C(C[NH+]2CCN(c3ncccn3)CC2)c2ccccc2N1C(=O)c1ccccc1 ZINC000169681477 568992154 /nfs/dbraw/zinc/99/21/54/568992154.db2.gz KGBVWWAIWIDIDW-UHFFFAOYSA-N 1 1 439.563 4.121 50 0 IIAAMO CC(C)CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](C)O ZINC000036309686 568996395 /nfs/dbraw/zinc/99/63/95/568996395.db2.gz ZZBAMBKDMQAPGE-AVRDEDQJSA-N 1 1 448.604 4.121 50 0 IIAAMO CC(C)C(=O)N(Cc1ccco1)Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1 ZINC000036312099 568997526 /nfs/dbraw/zinc/99/75/26/568997526.db2.gz XWHKBNNFUMHGRO-UHFFFAOYSA-N 1 1 440.519 4.010 50 0 IIAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C1CCCC1 ZINC000036312201 568997664 /nfs/dbraw/zinc/99/76/64/568997664.db2.gz SGLLACXMABBKTH-UHFFFAOYSA-N 1 1 428.552 4.161 50 0 IIAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036341721 569078987 /nfs/dbraw/zinc/07/89/87/569078987.db2.gz MHDMJJGTMVSHEN-JOCHJYFZSA-N 1 1 425.504 4.007 50 0 IIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341329 569079285 /nfs/dbraw/zinc/07/92/85/569079285.db2.gz SGFUTCSASPHGSN-HXOBKFHXSA-N 1 1 439.531 4.395 50 0 IIAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036341679 569079412 /nfs/dbraw/zinc/07/94/12/569079412.db2.gz YJOPYYOKZPXYQV-DEOSSOPVSA-N 1 1 435.568 4.484 50 0 IIAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036342092 569079585 /nfs/dbraw/zinc/07/95/85/569079585.db2.gz HGHNGLNLWXALNI-JOCHJYFZSA-N 1 1 439.531 4.474 50 0 IIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036342092 569079588 /nfs/dbraw/zinc/07/95/88/569079588.db2.gz HGHNGLNLWXALNI-JOCHJYFZSA-N 1 1 439.531 4.474 50 0 IIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346369 569081024 /nfs/dbraw/zinc/08/10/24/569081024.db2.gz PHCOKKZFZOZWSK-QFIPXVFZSA-N 1 1 439.531 4.474 50 0 IIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346369 569081026 /nfs/dbraw/zinc/08/10/26/569081026.db2.gz PHCOKKZFZOZWSK-QFIPXVFZSA-N 1 1 439.531 4.474 50 0 IIAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000036392124 569098229 /nfs/dbraw/zinc/09/82/29/569098229.db2.gz JEAIKYLDUVSQGX-UNMCSNQZSA-N 1 1 425.525 4.017 50 0 IIAAMO O=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200485 569115166 /nfs/dbraw/zinc/11/51/66/569115166.db2.gz HNKFWHZZGAMWLJ-UHFFFAOYSA-N 1 1 444.548 4.172 50 0 IIAAMO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F)c1ccc(-c2ccccc2)nn1 ZINC000170617686 569146911 /nfs/dbraw/zinc/14/69/11/569146911.db2.gz HTXWGUPEFBIFNJ-PMACEKPBSA-N 1 1 440.469 4.417 50 0 IIAAMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000252489389 569186788 /nfs/dbraw/zinc/18/67/88/569186788.db2.gz JPUUZIVPOXBCIV-ZJMJOCHXSA-N 1 1 448.654 4.365 50 0 IIAAMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000252489389 569186789 /nfs/dbraw/zinc/18/67/89/569186789.db2.gz JPUUZIVPOXBCIV-ZJMJOCHXSA-N 1 1 448.654 4.365 50 0 IIAAMO NC(=O)[C@@H]1CCC[C@@H]1Nc1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000079063983 569324285 /nfs/dbraw/zinc/32/42/85/569324285.db2.gz IATODIXGVCSAKX-MJGOQNOKSA-N 1 1 435.597 4.410 50 0 IIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000020105656 569334303 /nfs/dbraw/zinc/33/43/03/569334303.db2.gz ADYBIGMANPXWKC-UHFFFAOYSA-N 1 1 441.984 4.492 50 0 IIAAMO Cc1nc2ccccc2c2oc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc21 ZINC000020323430 569360330 /nfs/dbraw/zinc/36/03/30/569360330.db2.gz LCQHUZXEWDHRNV-UHFFFAOYSA-N 1 1 442.563 4.227 50 0 IIAAMO Cc1cc(NC(=O)N2CC[NH+](C3CC3)CC2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000095446391 569367400 /nfs/dbraw/zinc/36/74/00/569367400.db2.gz NGOUZACLDDBMIS-UHFFFAOYSA-N 1 1 427.858 4.165 50 0 IIAAMO Cc1ccccc1OCc1nnc(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1-c1ccccc1 ZINC000095460212 569369663 /nfs/dbraw/zinc/36/96/63/569369663.db2.gz TZASCUXHINGYIN-OYRHEFFESA-N 1 1 436.581 4.110 50 0 IIAAMO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)c1ccccc1Br)CCC2 ZINC000057315211 569430830 /nfs/dbraw/zinc/43/08/30/569430830.db2.gz GBPCYMUXKUZRLV-LLVKDONJSA-N 1 1 437.359 4.075 50 0 IIAAMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(c3nc4ccccc4s3)CC2)c1C ZINC000057886657 569442438 /nfs/dbraw/zinc/44/24/38/569442438.db2.gz LSKWRYSUAGTQSB-OAHLLOKOSA-N 1 1 425.554 4.479 50 0 IIAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000058104312 569447517 /nfs/dbraw/zinc/44/75/17/569447517.db2.gz LEOYMCRJEAUCMC-UHFFFAOYSA-N 1 1 437.632 4.406 50 0 IIAAMO CCn1c2ccccc2c2nnc(NCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)nc21 ZINC000058136990 569448417 /nfs/dbraw/zinc/44/84/17/569448417.db2.gz QPLLSAPSNGACSI-UHFFFAOYSA-N 1 1 449.990 4.195 50 0 IIAAMO CC[C@@](C)(CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)[NH+]1CCOCC1 ZINC000031929747 569458480 /nfs/dbraw/zinc/45/84/80/569458480.db2.gz DFTCTACDOGQDIN-DEOSSOPVSA-N 1 1 446.975 4.158 50 0 IIAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000008189324 569462441 /nfs/dbraw/zinc/46/24/41/569462441.db2.gz OVRRRFXOYINUTM-UHFFFAOYSA-N 1 1 425.548 4.436 50 0 IIAAMO COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000038546401 569463581 /nfs/dbraw/zinc/46/35/81/569463581.db2.gz UOFNUEQFDYWTKY-NRFANRHFSA-N 1 1 425.554 4.247 50 0 IIAAMO Clc1ccc(-c2cc3c(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nccn3n2)cc1 ZINC000067284781 569466776 /nfs/dbraw/zinc/46/67/76/569466776.db2.gz GVLWPPRLEUTVLZ-UHFFFAOYSA-N 1 1 447.926 4.101 50 0 IIAAMO Cc1ccc(OCC(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)cc1C ZINC000040114372 569489083 /nfs/dbraw/zinc/48/90/83/569489083.db2.gz BOHFCLOFJDDYMT-GOSISDBHSA-N 1 1 427.520 4.273 50 0 IIAAMO Cc1ccc(OCC(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)cc1C ZINC000040114372 569489084 /nfs/dbraw/zinc/48/90/84/569489084.db2.gz BOHFCLOFJDDYMT-GOSISDBHSA-N 1 1 427.520 4.273 50 0 IIAAMO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(C(=O)N4CCCCC4)CC3)ccc21 ZINC000040161562 569495186 /nfs/dbraw/zinc/49/51/86/569495186.db2.gz CVYFYFPZSLUFOS-UHFFFAOYSA-N 1 1 446.595 4.477 50 0 IIAAMO CC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000245330421 569504065 /nfs/dbraw/zinc/50/40/65/569504065.db2.gz YKDCUEZJYOAUCL-NZQKXSOJSA-N 1 1 444.641 4.469 50 0 IIAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@@H]4C[C@@H]4c4ccccc4F)CC3)n2)cc1 ZINC000070019787 569528821 /nfs/dbraw/zinc/52/88/21/569528821.db2.gz BDJAKKTWILDDPD-FGZHOGPDSA-N 1 1 448.542 4.065 50 0 IIAAMO CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000009432378 569534392 /nfs/dbraw/zinc/53/43/92/569534392.db2.gz VRVVRZMLMVKKCY-ZEQRLZLVSA-N 1 1 447.604 4.297 50 0 IIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@H+](C)Cc1sccc1C ZINC000009468617 569538643 /nfs/dbraw/zinc/53/86/43/569538643.db2.gz XQSIHMLVFLYELW-UHFFFAOYSA-N 1 1 446.642 4.233 50 0 IIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@@H+](C)Cc1sccc1C ZINC000009468617 569538644 /nfs/dbraw/zinc/53/86/44/569538644.db2.gz XQSIHMLVFLYELW-UHFFFAOYSA-N 1 1 446.642 4.233 50 0 IIAAMO O=C(c1ccc(N2CCCCC2)nn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000077099894 569585312 /nfs/dbraw/zinc/58/53/12/569585312.db2.gz ZJXPEKJXJLPECN-UHFFFAOYSA-N 1 1 441.579 4.014 50 0 IIAAMO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077159832 569585790 /nfs/dbraw/zinc/58/57/90/569585790.db2.gz LTJCSDBEGJKDNJ-UHFFFAOYSA-N 1 1 443.473 4.419 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)C1 ZINC000009406278 132315639 /nfs/dbraw/zinc/31/56/39/132315639.db2.gz COBJGRQTCKJKJM-OYRHEFFESA-N 1 1 447.627 4.188 50 0 IIAAMO Brc1ccccc1CN1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000022135431 518223584 /nfs/dbraw/zinc/22/35/84/518223584.db2.gz REKOEVOMKJJQFM-UHFFFAOYSA-N 1 1 428.418 4.231 50 0 IIAAMO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000021662895 519708012 /nfs/dbraw/zinc/70/80/12/519708012.db2.gz ZNMQVBXYWUCQRB-SFHVURJKSA-N 1 1 430.552 4.464 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](C)[C@H](C)c2cc3ccccc3o2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012901436 520508673 /nfs/dbraw/zinc/50/86/73/520508673.db2.gz DGWDNHUACNLQBT-IVZQSRNASA-N 1 1 437.496 4.198 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012901436 520508684 /nfs/dbraw/zinc/50/86/84/520508684.db2.gz DGWDNHUACNLQBT-IVZQSRNASA-N 1 1 437.496 4.198 50 0 IIAAMO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccco1 ZINC000021463542 520833077 /nfs/dbraw/zinc/83/30/77/520833077.db2.gz VEPWEKORIRYGLE-INIZCTEOSA-N 1 1 433.965 4.010 50 0 IIAAMO CCOc1ccc(C[N@@H+](CC)C[C@H]2CCCN(CCc3cccc(F)c3)C2)cc1CO ZINC000012386213 520965860 /nfs/dbraw/zinc/96/58/60/520965860.db2.gz BIHWMLFAVTXFRB-HSZRJFAPSA-N 1 1 428.592 4.493 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012413702 521371006 /nfs/dbraw/zinc/37/10/06/521371006.db2.gz MHDXUMMTFHBYOU-CALCHBBNSA-N 1 1 430.570 4.338 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012413702 521371015 /nfs/dbraw/zinc/37/10/15/521371015.db2.gz MHDXUMMTFHBYOU-CALCHBBNSA-N 1 1 430.570 4.338 50 0 IIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1C)CC[N@H+](Cc1ccccc1)C2 ZINC000035457069 521538803 /nfs/dbraw/zinc/53/88/03/521538803.db2.gz MPPREUNNMYFSAH-UHFFFAOYSA-N 1 1 444.579 4.010 50 0 IIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1C)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457069 521538808 /nfs/dbraw/zinc/53/88/08/521538808.db2.gz MPPREUNNMYFSAH-UHFFFAOYSA-N 1 1 444.579 4.010 50 0 IIAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CC[NH+](Cc3ccc(OC)cc3)CC2)n1 ZINC000035925655 521541421 /nfs/dbraw/zinc/54/14/21/521541421.db2.gz SAFMGKUQGOSQBS-UHFFFAOYSA-N 1 1 442.567 4.099 50 0 IIAAMO COC(=O)c1cccc(C[N@H+](CC(=O)N2CCS[C@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000035843580 522206379 /nfs/dbraw/zinc/20/63/79/522206379.db2.gz IIMWXAKVJLVFSN-QHCPKHFHSA-N 1 1 444.572 4.345 50 0 IIAAMO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000012850513 522455806 /nfs/dbraw/zinc/45/58/06/522455806.db2.gz OMNZNMJZTLSPQU-KRWDZBQOSA-N 1 1 425.838 4.078 50 0 IIAAMO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000012850513 522455814 /nfs/dbraw/zinc/45/58/14/522455814.db2.gz OMNZNMJZTLSPQU-KRWDZBQOSA-N 1 1 425.838 4.078 50 0 IIAAMO CCn1cc([C@H](CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)cc2)c2ccccc21 ZINC000035800837 523478535 /nfs/dbraw/zinc/47/85/35/523478535.db2.gz UOTNCDKXNNEUJT-XMMPIXPASA-N 1 1 433.596 4.330 50 0 IIAAMO COc1ccc(C(=O)N[C@@H](OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(Cl)(Cl)Cl)cc1 ZINC000012661423 523723565 /nfs/dbraw/zinc/72/35/65/523723565.db2.gz ATPAPKBRPPCFQM-WDYCEAGBSA-N 1 1 449.806 4.402 50 0 biogenic IIAAMO COc1ccc(CC(=O)NC[C@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000022766102 523902549 /nfs/dbraw/zinc/90/25/49/523902549.db2.gz UWYCALCAVYOHQL-JOCHJYFZSA-N 1 1 436.577 4.224 50 0 IIAAMO COc1ccc(CC(=O)NC[C@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000022766102 523902554 /nfs/dbraw/zinc/90/25/54/523902554.db2.gz UWYCALCAVYOHQL-JOCHJYFZSA-N 1 1 436.577 4.224 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2cc(=O)n3ccsc3n2)[C@H](C)Cc2cccs2)cc1 ZINC000023054971 524013514 /nfs/dbraw/zinc/01/35/14/524013514.db2.gz NHBKYTXTCILRRQ-MRXNPFEDSA-N 1 1 425.579 4.460 50 0 IIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 ZINC000012928907 524027165 /nfs/dbraw/zinc/02/71/65/524027165.db2.gz HLRYEOLGHYVBRD-UHFFFAOYSA-N 1 1 449.576 4.357 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1Cn1cncn1 ZINC000012706284 524028048 /nfs/dbraw/zinc/02/80/48/524028048.db2.gz WHUDRYRLXIKDNU-JOCHJYFZSA-N 1 1 448.567 4.217 50 0 IIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)C1 ZINC000021915388 524087276 /nfs/dbraw/zinc/08/72/76/524087276.db2.gz OCCLVIBBYNVPBV-IBGZPJMESA-N 1 1 448.611 4.375 50 0 IIAAMO Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000012748555 524126017 /nfs/dbraw/zinc/12/60/17/524126017.db2.gz KWDXEMCUMDMBBD-UHFFFAOYSA-N 1 1 442.614 4.013 50 0 IIAAMO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561947 524187382 /nfs/dbraw/zinc/18/73/82/524187382.db2.gz NOGCRJIJWCWAFU-LJQANCHMSA-N 1 1 438.616 4.037 50 0 IIAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(Cl)c(O)c(OC)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000012092653 524456146 /nfs/dbraw/zinc/45/61/46/524456146.db2.gz JXBWAFQBGZKCSC-KDLAUNOPSA-N 1 1 442.943 4.001 50 0 IIAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(Cl)c(O)c(OC)c3)[N@H+]3CCC[C@@]23C1=O ZINC000012092653 524456155 /nfs/dbraw/zinc/45/61/55/524456155.db2.gz JXBWAFQBGZKCSC-KDLAUNOPSA-N 1 1 442.943 4.001 50 0 IIAAMO Cc1cc(C)n(Cc2cccc(C(=O)N(C)[C@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)c2)n1 ZINC000012756003 524540324 /nfs/dbraw/zinc/54/03/24/524540324.db2.gz GHMWHOMYKKYLSI-SANMLTNESA-N 1 1 442.607 4.252 50 0 IIAAMO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000012316950 525135273 /nfs/dbraw/zinc/13/52/73/525135273.db2.gz WQLUOWCMSPCZHG-QHCPKHFHSA-N 1 1 436.600 4.129 50 0 IIAAMO Cc1ccccc1C[NH+]1CCN(Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)CC1 ZINC000022833622 525142535 /nfs/dbraw/zinc/14/25/35/525142535.db2.gz UALYKCDFHVRCSH-UHFFFAOYSA-N 1 1 448.567 4.417 50 0 IIAAMO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@@H](c4ccco4)[NH+](C)C)cc3)ccc12 ZINC000021903007 526150646 /nfs/dbraw/zinc/15/06/46/526150646.db2.gz FMUNQQKQIVZDJN-QFIPXVFZSA-N 1 1 446.503 4.306 50 0 IIAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000012761807 526727898 /nfs/dbraw/zinc/72/78/98/526727898.db2.gz DHLDUEUWGRGJNB-XMMPIXPASA-N 1 1 445.563 4.388 50 0 IIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020915899 526752418 /nfs/dbraw/zinc/75/24/18/526752418.db2.gz CNYICNUXUQXVIC-GOSISDBHSA-N 1 1 431.458 4.330 50 0 IIAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012818483 526814709 /nfs/dbraw/zinc/81/47/09/526814709.db2.gz WQMQDXCHHGTCSV-HXUWFJFHSA-N 1 1 447.486 4.296 50 0 IIAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012818483 526814717 /nfs/dbraw/zinc/81/47/17/526814717.db2.gz WQMQDXCHHGTCSV-HXUWFJFHSA-N 1 1 447.486 4.296 50 0 IIAAMO O=C1CC[N@@H+](Cc2cccn2-c2nccs2)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000020668341 526988415 /nfs/dbraw/zinc/98/84/15/526988415.db2.gz GWFWYEQEEGDJFH-UHFFFAOYSA-N 1 1 434.487 4.187 50 0 IIAAMO O=C1CC[N@H+](Cc2cccn2-c2nccs2)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000020668341 526988419 /nfs/dbraw/zinc/98/84/19/526988419.db2.gz GWFWYEQEEGDJFH-UHFFFAOYSA-N 1 1 434.487 4.187 50 0 IIAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000012360094 527027628 /nfs/dbraw/zinc/02/76/28/527027628.db2.gz SOAVQXHGWHDQAZ-IBGZPJMESA-N 1 1 442.441 4.093 50 0 IIAAMO O=C(Nc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894119 527204205 /nfs/dbraw/zinc/20/42/05/527204205.db2.gz UYUUSTHGNKNXCK-UKILVPOCSA-N 1 1 433.502 4.467 50 0 IIAAMO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)occ1OCc1c(F)cccc1Cl ZINC000022807606 527477782 /nfs/dbraw/zinc/47/77/82/527477782.db2.gz BBXQYHATIJCXMO-UHFFFAOYSA-N 1 1 442.918 4.329 50 0 IIAAMO COc1ccccc1N1CC[NH+](Cc2cccc(C(=O)NCc3ccc(F)cc3)c2)CC1 ZINC000034668522 555792430 /nfs/dbraw/zinc/79/24/30/555792430.db2.gz SEFVXBPZEPCCSE-UHFFFAOYSA-N 1 1 433.527 4.087 50 0 IIAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002734748 555805693 /nfs/dbraw/zinc/80/56/93/555805693.db2.gz HSPRQEFFNKFHOP-GOSISDBHSA-N 1 1 431.374 4.328 50 0 IIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740507 555883650 /nfs/dbraw/zinc/88/36/50/555883650.db2.gz PEYPYEUNCXYNSV-URXFXBBRSA-N 1 1 430.564 4.382 50 0 IIAAMO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[N@H+](CCc4ccccc4)CC3)s2)cs1 ZINC000006156826 556078662 /nfs/dbraw/zinc/07/86/62/556078662.db2.gz BQIMYKATOPPPKE-UHFFFAOYSA-N 1 1 447.651 4.119 50 0 IIAAMO Cc1nc(-c2ccc(S(=O)(=O)N3CCC[N@@H+](CCc4ccccc4)CC3)s2)cs1 ZINC000006156826 556078665 /nfs/dbraw/zinc/07/86/65/556078665.db2.gz BQIMYKATOPPPKE-UHFFFAOYSA-N 1 1 447.651 4.119 50 0 IIAAMO Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=[NH+][C@H]2c1ccc(Cl)cc1 ZINC000009287506 556272186 /nfs/dbraw/zinc/27/21/86/556272186.db2.gz WJNDNZPJWDFUBL-HSZRJFAPSA-N 1 1 447.970 4.488 50 0 IIAAMO O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009418908 556289148 /nfs/dbraw/zinc/28/91/48/556289148.db2.gz NTSXTJZIJLFBGY-CVDCTZTESA-N 1 1 441.487 4.163 50 0 IIAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000009601425 556302453 /nfs/dbraw/zinc/30/24/53/556302453.db2.gz RQCNVDFMUHOHNL-DEOSSOPVSA-N 1 1 448.563 4.230 50 0 IIAAMO CCCCc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c[nH]1 ZINC000011664845 556345678 /nfs/dbraw/zinc/34/56/78/556345678.db2.gz WLORZLFPILEHQQ-SFHVURJKSA-N 1 1 429.008 4.466 50 0 IIAAMO CCCCc1nc(C[N@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c[nH]1 ZINC000011664845 556345681 /nfs/dbraw/zinc/34/56/81/556345681.db2.gz WLORZLFPILEHQQ-SFHVURJKSA-N 1 1 429.008 4.466 50 0 IIAAMO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011665827 556345986 /nfs/dbraw/zinc/34/59/86/556345986.db2.gz RNVSNIUHMQLFNB-HHHXNRCGSA-N 1 1 435.612 4.324 50 0 IIAAMO c1ccn2c(c1)nnc2CCNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000014019385 556356315 /nfs/dbraw/zinc/35/63/15/556356315.db2.gz FBCPFKZRMOOTGX-UHFFFAOYSA-N 1 1 447.612 4.253 50 0 IIAAMO CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000011843394 556366756 /nfs/dbraw/zinc/36/67/56/556366756.db2.gz BQKOWUJRGQHUQO-NRFANRHFSA-N 1 1 432.568 4.101 50 0 IIAAMO CN1CCC[C@H](C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011843394 556366765 /nfs/dbraw/zinc/36/67/65/556366765.db2.gz BQKOWUJRGQHUQO-NRFANRHFSA-N 1 1 432.568 4.101 50 0 IIAAMO CN1CCC[C@H](C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011843394 556366767 /nfs/dbraw/zinc/36/67/67/556366767.db2.gz BQKOWUJRGQHUQO-NRFANRHFSA-N 1 1 432.568 4.101 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@H+](CCCC(F)(F)F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011874440 556370745 /nfs/dbraw/zinc/37/07/45/556370745.db2.gz JTUCQPXOAUHTQE-NRFANRHFSA-N 1 1 425.539 4.166 50 0 IIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000012073535 556396433 /nfs/dbraw/zinc/39/64/33/556396433.db2.gz CGLVJTCCMIKQOD-NRFANRHFSA-N 1 1 449.595 4.416 50 0 IIAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCc2cccs2)C1 ZINC000014740785 556438523 /nfs/dbraw/zinc/43/85/23/556438523.db2.gz JUBADGMRFYHUKS-LEWJYISDSA-N 1 1 439.625 4.086 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288968 556448911 /nfs/dbraw/zinc/44/89/11/556448911.db2.gz CFQTYWLQCOUWHW-QFIPXVFZSA-N 1 1 434.536 4.375 50 0 IIAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccn2-c2ncccn2)C1)NCc1ccccc1Cl ZINC000014954689 556461884 /nfs/dbraw/zinc/46/18/84/556461884.db2.gz IJCLZTCTVKBOCS-LJQANCHMSA-N 1 1 437.975 4.229 50 0 IIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000029156001 556469031 /nfs/dbraw/zinc/46/90/31/556469031.db2.gz YZBIHHBXEZEMGW-QHCPKHFHSA-N 1 1 438.568 4.214 50 0 IIAAMO C[C@H](NC(=O)[C@H](C)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000072305626 556556063 /nfs/dbraw/zinc/55/60/63/556556063.db2.gz YADUISYPQPXAMR-IRXDYDNUSA-N 1 1 442.431 4.136 50 0 IIAAMO O=C(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000072306938 556560999 /nfs/dbraw/zinc/56/09/99/556560999.db2.gz OSLAKVQNOKUKMV-JOCHJYFZSA-N 1 1 434.580 4.298 50 0 IIAAMO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000015659151 556572126 /nfs/dbraw/zinc/57/21/26/556572126.db2.gz HYRIWUUVLRNBPQ-NYKZCTJWSA-N 1 1 447.623 4.111 50 0 IIAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(-c4ccco4)cc3)C2)cc1 ZINC000039500891 556629427 /nfs/dbraw/zinc/62/94/27/556629427.db2.gz BPCOJDDCLWDQJL-HXUWFJFHSA-N 1 1 440.565 4.146 50 0 IIAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c1 ZINC000011713822 556643511 /nfs/dbraw/zinc/64/35/11/556643511.db2.gz ZWXXSYHASSCTSX-GOSISDBHSA-N 1 1 425.485 4.108 50 0 IIAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)c1 ZINC000011713822 556643514 /nfs/dbraw/zinc/64/35/14/556643514.db2.gz ZWXXSYHASSCTSX-GOSISDBHSA-N 1 1 425.485 4.108 50 0 IIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)c(OC)c1 ZINC000019229318 556718173 /nfs/dbraw/zinc/71/81/73/556718173.db2.gz QORUNDRZDQDJBS-JOCHJYFZSA-N 1 1 436.596 4.306 50 0 IIAAMO COc1ccc(C(=O)[C@@H]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)c(OC)c1 ZINC000019229318 556718175 /nfs/dbraw/zinc/71/81/75/556718175.db2.gz QORUNDRZDQDJBS-JOCHJYFZSA-N 1 1 436.596 4.306 50 0 IIAAMO COCCN(Cc1cccc(OC)c1OC)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055072497 556733566 /nfs/dbraw/zinc/73/35/66/556733566.db2.gz AHVKVBFKKKUFCB-NRFANRHFSA-N 1 1 438.612 4.032 50 0 IIAAMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105484 556758440 /nfs/dbraw/zinc/75/84/40/556758440.db2.gz SPQGIRGQNAYYAE-QHCPKHFHSA-N 1 1 434.536 4.063 50 0 IIAAMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000058105484 556758443 /nfs/dbraw/zinc/75/84/43/556758443.db2.gz SPQGIRGQNAYYAE-QHCPKHFHSA-N 1 1 434.536 4.063 50 0 IIAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000058166957 556767160 /nfs/dbraw/zinc/76/71/60/556767160.db2.gz ZTTKBWKOPAIVII-QGZVFWFLSA-N 1 1 444.576 4.221 50 0 IIAAMO O=C1c2cccc(N3CC[NH+](Cc4cccs4)CC3)c2C(=O)N1CCc1ccccc1F ZINC000059343242 556798336 /nfs/dbraw/zinc/79/83/36/556798336.db2.gz IBTPDGQQSBUEKO-UHFFFAOYSA-N 1 1 449.551 4.048 50 0 IIAAMO CSc1ncc(C[NH+]2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)cn1 ZINC000067713136 556846313 /nfs/dbraw/zinc/84/63/13/556846313.db2.gz LPOVYDDUKUOYTI-UHFFFAOYSA-N 1 1 437.573 4.185 50 0 IIAAMO C[NH+]1CCN(CC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 ZINC000019708397 556868969 /nfs/dbraw/zinc/86/89/69/556868969.db2.gz YMDSAGGVFVRPDF-RUZDIDTESA-N 1 1 426.004 4.409 50 0 IIAAMO CC[N@@H+]1CCC[C@H]1CNc1c2ccc(F)cc2ncc1S(=O)(=O)c1cccc(F)c1 ZINC000071775298 556888077 /nfs/dbraw/zinc/88/80/77/556888077.db2.gz YJAAECHJOYHLAF-KRWDZBQOSA-N 1 1 431.508 4.242 50 0 IIAAMO CC[N@H+]1CCC[C@H]1CNc1c2ccc(F)cc2ncc1S(=O)(=O)c1cccc(F)c1 ZINC000071775298 556888080 /nfs/dbraw/zinc/88/80/80/556888080.db2.gz YJAAECHJOYHLAF-KRWDZBQOSA-N 1 1 431.508 4.242 50 0 IIAAMO COc1cccc(Cn2c(=O)c(C[N@@H+](C)C[C@H](O)c3ccccc3)cc3ccc(F)cc32)c1 ZINC000019798703 556916737 /nfs/dbraw/zinc/91/67/37/556916737.db2.gz VACKITAKGWWKLE-SANMLTNESA-N 1 1 446.522 4.363 50 0 IIAAMO COc1ccc(CN2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)cc1C ZINC000019842505 556929841 /nfs/dbraw/zinc/92/98/41/556929841.db2.gz XOVQJTBNKFCFTH-QFIPXVFZSA-N 1 1 437.609 4.196 50 0 IIAAMO COc1ccc(CN2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)cc1C ZINC000019842505 556929844 /nfs/dbraw/zinc/92/98/44/556929844.db2.gz XOVQJTBNKFCFTH-QFIPXVFZSA-N 1 1 437.609 4.196 50 0 IIAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)c1 ZINC000048261725 557049556 /nfs/dbraw/zinc/04/95/56/557049556.db2.gz CRAYEUBMDCDOHD-FGZHOGPDSA-N 1 1 426.561 4.247 50 0 IIAAMO Cc1nc(-c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)s2)sc1C ZINC000033290052 557071875 /nfs/dbraw/zinc/07/18/75/557071875.db2.gz REYPPEBYWCCIFC-UHFFFAOYSA-N 1 1 439.672 4.436 50 0 IIAAMO CCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318348 557099694 /nfs/dbraw/zinc/09/96/94/557099694.db2.gz AKUPUKDCANWREL-UHFFFAOYSA-N 1 1 433.512 4.016 50 0 IIAAMO Cc1ccc2nc(COc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)cn2c1 ZINC000025072957 557194542 /nfs/dbraw/zinc/19/45/42/557194542.db2.gz DDMZWKXHUMTOSB-UHFFFAOYSA-N 1 1 440.547 4.180 50 0 IIAAMO CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000025139402 557196102 /nfs/dbraw/zinc/19/61/02/557196102.db2.gz QNEIZPYRQJBIBM-OAQYLSRUSA-N 1 1 446.389 4.232 50 0 IIAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000247874910 557372917 /nfs/dbraw/zinc/37/29/17/557372917.db2.gz NOGABQKHFOYBGO-WBADGQHESA-N 1 1 428.532 4.434 50 0 IIAAMO COc1cccc2c1ccn2CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198473 557395394 /nfs/dbraw/zinc/39/53/94/557395394.db2.gz ACPVXEYCFGHXGP-XMVJUMSVSA-N 1 1 433.596 4.462 50 0 biogenic IIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105010723 557472833 /nfs/dbraw/zinc/47/28/33/557472833.db2.gz YNRCAUJSRYCVRG-ILBGXUMGSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105010723 557472836 /nfs/dbraw/zinc/47/28/36/557472836.db2.gz YNRCAUJSRYCVRG-ILBGXUMGSA-N 1 1 447.579 4.256 50 0 IIAAMO COc1cc(Br)c(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1OC ZINC000008664612 562960339 /nfs/dbraw/zinc/96/03/39/562960339.db2.gz LGEHGMJWQAKLLI-KRWDZBQOSA-N 1 1 436.346 4.255 50 0 in-vitro IIAAMO COc1cc(Br)c(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1OC ZINC000008664612 562960340 /nfs/dbraw/zinc/96/03/40/562960340.db2.gz LGEHGMJWQAKLLI-KRWDZBQOSA-N 1 1 436.346 4.255 50 0 in-vitro IIAAMO COc1ccc(-c2ncc([C@@H]3C[C@H]4CN(c5ccccc5)C(=O)[C@]45CCC[N@@H+]35)cn2)cc1 ZINC000015074857 563017565 /nfs/dbraw/zinc/01/75/65/563017565.db2.gz AJEWBFMHNKHYBH-CHZKFRDHSA-N 1 1 426.520 4.095 50 0 IIAAMO CCCC1=Nc2cc(C(=O)NCCC[NH+]3CCN(C)CC3)ccc2Sc2ccccc21 ZINC000020178855 563023896 /nfs/dbraw/zinc/02/38/96/563023896.db2.gz YKEKLULEMZJKHG-UHFFFAOYSA-N 1 1 436.625 4.439 50 0 IIAAMO OCC[C@@H]1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC[N@H+]1CC1CCCCC1 ZINC000023373468 568613810 /nfs/dbraw/zinc/61/38/10/568613810.db2.gz IULCOMIOWLJAFM-HHHXNRCGSA-N 1 1 425.661 4.093 50 0 IIAAMO c1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(Oc5ncccn5)cc4)C3)CC2)cc1 ZINC000023373226 568613934 /nfs/dbraw/zinc/61/39/34/568613934.db2.gz DHMCRMMPHLXVOL-DEOSSOPVSA-N 1 1 429.568 4.056 50 0 IIAAMO c1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(Oc5ncccn5)cc4)C3)CC2)cc1 ZINC000023373226 568613935 /nfs/dbraw/zinc/61/39/35/568613935.db2.gz DHMCRMMPHLXVOL-DEOSSOPVSA-N 1 1 429.568 4.056 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000104983025 568624060 /nfs/dbraw/zinc/62/40/60/568624060.db2.gz OJLKOOAHACFCBL-JTHBVZDNSA-N 1 1 446.975 4.130 50 0 IIAAMO CN1CCCC[C@H]1C(=O)NCCOc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000299800957 568757961 /nfs/dbraw/zinc/75/79/61/568757961.db2.gz UEAYSDLOLFPWIB-MHZLTWQESA-N 1 1 445.607 4.451 50 0 IIAAMO CN1CCCC[C@H]1C(=O)NCCOc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000299800957 568757962 /nfs/dbraw/zinc/75/79/62/568757962.db2.gz UEAYSDLOLFPWIB-MHZLTWQESA-N 1 1 445.607 4.451 50 0 IIAAMO Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC000001271912 568775625 /nfs/dbraw/zinc/77/56/25/568775625.db2.gz PUODCBLVQKVECY-INIZCTEOSA-N 1 1 441.944 4.486 50 0 IIAAMO CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000015671339 568802823 /nfs/dbraw/zinc/80/28/23/568802823.db2.gz FIHFUKOVEMWGHG-UHFFFAOYSA-N 1 1 437.569 4.492 50 0 IIAAMO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000242106181 568912537 /nfs/dbraw/zinc/91/25/37/568912537.db2.gz WHRKBRQAMNEMOE-HKUYNNGSSA-N 1 1 428.964 4.193 50 0 IIAAMO C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000242106181 568912539 /nfs/dbraw/zinc/91/25/39/568912539.db2.gz WHRKBRQAMNEMOE-HKUYNNGSSA-N 1 1 428.964 4.193 50 0 IIAAMO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000241965577 568912589 /nfs/dbraw/zinc/91/25/89/568912589.db2.gz UTYSQDNUTFAYOB-UGKGYDQZSA-N 1 1 434.374 4.345 50 0 IIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000245242143 568913273 /nfs/dbraw/zinc/91/32/73/568913273.db2.gz CNEAOBOAPPBZSD-LZYPDUGYSA-N 1 1 438.568 4.324 50 0 IIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000245242143 568913274 /nfs/dbraw/zinc/91/32/74/568913274.db2.gz CNEAOBOAPPBZSD-LZYPDUGYSA-N 1 1 438.568 4.324 50 0 IIAAMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc(=O)n(-c2ccccc2F)n1)C1CCCCC1 ZINC000089361476 568921166 /nfs/dbraw/zinc/92/11/66/568921166.db2.gz SJVFZTLEYBQCFB-UHFFFAOYSA-N 1 1 448.542 4.066 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146124 568962076 /nfs/dbraw/zinc/96/20/76/568962076.db2.gz VDEXVGMLLYYPSC-YADHBBJMSA-N 1 1 434.939 4.260 50 0 IIAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@H](O)COCC(C)C)CC1CC1 ZINC000036246100 568981682 /nfs/dbraw/zinc/98/16/82/568981682.db2.gz YTQUCTZODGXUKQ-QFIPXVFZSA-N 1 1 429.605 4.433 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccccc3F)=NO2)c1 ZINC000169677429 568989678 /nfs/dbraw/zinc/98/96/78/568989678.db2.gz QIPZYUCOWDXPEF-UPVQGACJSA-N 1 1 448.538 4.433 50 0 IIAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302441 568994181 /nfs/dbraw/zinc/99/41/81/568994181.db2.gz WDVBEMWGLFVRDD-NRFANRHFSA-N 1 1 439.556 4.201 50 0 IIAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302441 568994183 /nfs/dbraw/zinc/99/41/83/568994183.db2.gz WDVBEMWGLFVRDD-NRFANRHFSA-N 1 1 439.556 4.201 50 0 IIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@@H](C)O ZINC000036303651 568995153 /nfs/dbraw/zinc/99/51/53/568995153.db2.gz XJWHTPPXNZFISO-QGZVFWFLSA-N 1 1 429.948 4.456 50 0 IIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@@H](C)O ZINC000036303651 568995155 /nfs/dbraw/zinc/99/51/55/568995155.db2.gz XJWHTPPXNZFISO-QGZVFWFLSA-N 1 1 429.948 4.456 50 0 IIAAMO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000036342501 569079492 /nfs/dbraw/zinc/07/94/92/569079492.db2.gz SIPVJJIWAWXIQX-RUZDIDTESA-N 1 1 447.579 4.128 50 0 IIAAMO C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000036390774 569097003 /nfs/dbraw/zinc/09/70/03/569097003.db2.gz LDRFRZYNRMYQAY-QZTJIDSGSA-N 1 1 427.976 4.007 50 0 IIAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4c(C)cc(C)cc4C)CC3)n2)cc1 ZINC000065184179 569114105 /nfs/dbraw/zinc/11/41/05/569114105.db2.gz RJCJQBDZCXHWIY-UHFFFAOYSA-N 1 1 434.540 4.489 50 0 IIAAMO Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000036613387 569123850 /nfs/dbraw/zinc/12/38/50/569123850.db2.gz AMHYULQOEMOSHC-UHFFFAOYSA-N 1 1 439.563 4.210 50 0 IIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000524731514 569126680 /nfs/dbraw/zinc/12/66/80/569126680.db2.gz AKEZSRFLFIAYCP-BJKOFHAPSA-N 1 1 442.644 4.462 50 0 biogenic IIAAMO CC[NH+](CC)[C@H](CNC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)c1ccco1 ZINC000089967807 569169237 /nfs/dbraw/zinc/16/92/37/569169237.db2.gz MDRBZFLSTZOLCS-HXUWFJFHSA-N 1 1 426.586 4.193 50 0 IIAAMO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000078985214 569321325 /nfs/dbraw/zinc/32/13/25/569321325.db2.gz AGEUKKFGTYVEOZ-QHCPKHFHSA-N 1 1 428.523 4.184 50 0 IIAAMO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000078985214 569321326 /nfs/dbraw/zinc/32/13/26/569321326.db2.gz AGEUKKFGTYVEOZ-QHCPKHFHSA-N 1 1 428.523 4.184 50 0 IIAAMO COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000079025440 569322760 /nfs/dbraw/zinc/32/27/60/569322760.db2.gz UXDQAYHNJAZSSN-CABCVRRESA-N 1 1 441.528 4.464 50 0 IIAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000020240742 569357753 /nfs/dbraw/zinc/35/77/53/569357753.db2.gz FFDCCLOKVFXHKZ-UHFFFAOYSA-N 1 1 445.007 4.118 50 0 IIAAMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCC(=O)Nc1ccc(Br)cc1Cl ZINC000095466532 569370938 /nfs/dbraw/zinc/37/09/38/569370938.db2.gz AYFXSGFQEUHJHD-UHFFFAOYSA-N 1 1 431.758 4.237 50 0 IIAAMO CCN(C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095942682 569375550 /nfs/dbraw/zinc/37/55/50/569375550.db2.gz OIKVKTRDLRYAOV-QHCPKHFHSA-N 1 1 448.542 4.164 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205056 569464576 /nfs/dbraw/zinc/46/45/76/569464576.db2.gz GUZGBTWNSSQDFH-NRFANRHFSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205056 569464577 /nfs/dbraw/zinc/46/45/77/569464577.db2.gz GUZGBTWNSSQDFH-NRFANRHFSA-N 1 1 427.932 4.033 50 0 IIAAMO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000009067477 569500047 /nfs/dbraw/zinc/50/00/47/569500047.db2.gz DQZXRLXTBAAGEG-UHFFFAOYSA-N 1 1 449.473 4.491 50 0 IIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000009151108 569507382 /nfs/dbraw/zinc/50/73/82/569507382.db2.gz YLROMNCXLUWCPC-UHFFFAOYSA-N 1 1 440.569 4.256 50 0 IIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000009151124 569507448 /nfs/dbraw/zinc/50/74/48/569507448.db2.gz SPBKNQOVPGGSKT-UHFFFAOYSA-N 1 1 440.569 4.256 50 0 IIAAMO CCCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)nc(CCn2cc[nH+]c2C)n3C)cc1 ZINC000009410494 569531363 /nfs/dbraw/zinc/53/13/63/569531363.db2.gz AQWGGXVEUBYIKC-UHFFFAOYSA-N 1 1 444.539 4.312 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000009514625 569543222 /nfs/dbraw/zinc/54/32/22/569543222.db2.gz ZLOSQNQTXOSEHV-INIZCTEOSA-N 1 1 434.565 4.007 50 0 IIAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000009514625 569543223 /nfs/dbraw/zinc/54/32/23/569543223.db2.gz ZLOSQNQTXOSEHV-INIZCTEOSA-N 1 1 434.565 4.007 50 0 IIAAMO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)c(C)c12 ZINC000009610219 569552458 /nfs/dbraw/zinc/55/24/58/569552458.db2.gz BVGQAAWDAMJAAD-JOCHJYFZSA-N 1 1 447.627 4.372 50 0 IIAAMO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000009731825 569564722 /nfs/dbraw/zinc/56/47/22/569564722.db2.gz QHRBNNGBAVYSPX-UHFFFAOYSA-N 1 1 445.007 4.118 50 0 IIAAMO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009742303 569565335 /nfs/dbraw/zinc/56/53/35/569565335.db2.gz PBAVGGWTHWTTCR-NRFANRHFSA-N 1 1 426.582 4.365 50 0 IIAAMO CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009742303 569565336 /nfs/dbraw/zinc/56/53/36/569565336.db2.gz PBAVGGWTHWTTCR-NRFANRHFSA-N 1 1 426.582 4.365 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009819033 569569332 /nfs/dbraw/zinc/56/93/32/569569332.db2.gz CHQSFZUOEUMZPL-UHFFFAOYSA-N 1 1 449.551 4.407 50 0 IIAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000169679307 569587297 /nfs/dbraw/zinc/58/72/97/569587297.db2.gz HEIHNEJRGMHETE-KCWPFWIISA-N 1 1 447.554 4.494 50 0 IIAAMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000013058965 132343716 /nfs/dbraw/zinc/34/37/16/132343716.db2.gz SDTSWTGMTZMNNV-QGZVFWFLSA-N 1 1 435.490 4.309 50 0 IIAAMO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012224739 519662572 /nfs/dbraw/zinc/66/25/72/519662572.db2.gz VZSSJGQOECMRQV-UHFFFAOYSA-N 1 1 443.551 4.471 50 0 IIAAMO CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035907812 519740161 /nfs/dbraw/zinc/74/01/61/519740161.db2.gz LPXDQHXXBPITLN-FYYLOGMGSA-N 1 1 445.529 4.341 50 0 IIAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Sc4nncn4C)o3)C2)c1 ZINC000012441325 519782562 /nfs/dbraw/zinc/78/25/62/519782562.db2.gz ZKILJLJMRKYBNJ-GOSISDBHSA-N 1 1 440.569 4.441 50 0 IIAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Sc4nncn4C)o3)C2)c1 ZINC000012441325 519782563 /nfs/dbraw/zinc/78/25/63/519782563.db2.gz ZKILJLJMRKYBNJ-GOSISDBHSA-N 1 1 440.569 4.441 50 0 IIAAMO CCOC(=O)C[C@@H](NC(=O)N1CCC(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1)c1ccccc1 ZINC000021718223 520840780 /nfs/dbraw/zinc/84/07/80/520840780.db2.gz BDYBUTZKYMFESG-ZRCGQRJVSA-N 1 1 429.605 4.080 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3cc(Br)ccc3OC)n2)C1 ZINC000020941111 521118048 /nfs/dbraw/zinc/11/80/48/521118048.db2.gz DQHJDXCUECXOTK-CYBMUJFWSA-N 1 1 439.375 4.356 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cc(Br)ccc3OC)n2)C1 ZINC000020941111 521118054 /nfs/dbraw/zinc/11/80/54/521118054.db2.gz DQHJDXCUECXOTK-CYBMUJFWSA-N 1 1 439.375 4.356 50 0 IIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)c(C)c1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457116 521538728 /nfs/dbraw/zinc/53/87/28/521538728.db2.gz PQRAZKDUURMYAY-UHFFFAOYSA-N 1 1 444.579 4.010 50 0 IIAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)c(C)c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457116 521538738 /nfs/dbraw/zinc/53/87/38/521538738.db2.gz PQRAZKDUURMYAY-UHFFFAOYSA-N 1 1 444.579 4.010 50 0 IIAAMO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908291 521856988 /nfs/dbraw/zinc/85/69/88/521856988.db2.gz FADAMEZSZOXYEO-QFIPXVFZSA-N 1 1 433.577 4.165 50 0 IIAAMO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908291 521856998 /nfs/dbraw/zinc/85/69/98/521856998.db2.gz FADAMEZSZOXYEO-QFIPXVFZSA-N 1 1 433.577 4.165 50 0 IIAAMO COc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000012730555 522115397 /nfs/dbraw/zinc/11/53/97/522115397.db2.gz OFIVQDJISWKTRJ-NRFANRHFSA-N 1 1 446.975 4.014 50 0 IIAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)cc(OC)c1 ZINC000012714080 522652231 /nfs/dbraw/zinc/65/22/31/522652231.db2.gz MSRNULIQIBVDIP-KRWDZBQOSA-N 1 1 430.520 4.482 50 0 IIAAMO C[N@@H+](Cc1ccoc1)Cc1cccc(OC2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)c1 ZINC000012242629 523476061 /nfs/dbraw/zinc/47/60/61/523476061.db2.gz VXMXKKIZZRALEG-UHFFFAOYSA-N 1 1 448.567 4.197 50 0 IIAAMO COc1ccc(C(=O)C2CC[NH+](CC(=O)NC3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000012825242 523575556 /nfs/dbraw/zinc/57/55/56/523575556.db2.gz PRWHAZFKVVRCLS-UHFFFAOYSA-N 1 1 440.543 4.476 50 0 IIAAMO COc1ccc(CN(C)Cc2ccsc2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012703875 524006423 /nfs/dbraw/zinc/00/64/23/524006423.db2.gz YWMBIIZZZGLBMV-HSZRJFAPSA-N 1 1 440.609 4.260 50 0 IIAAMO COc1ccc(CN(C)Cc2ccsc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012703875 524006427 /nfs/dbraw/zinc/00/64/27/524006427.db2.gz YWMBIIZZZGLBMV-HSZRJFAPSA-N 1 1 440.609 4.260 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1 ZINC000012465074 524027979 /nfs/dbraw/zinc/02/79/79/524027979.db2.gz MJPRLFSUKLTXAY-IBGZPJMESA-N 1 1 426.557 4.021 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1Cn1cncn1 ZINC000012706291 524029558 /nfs/dbraw/zinc/02/95/58/524029558.db2.gz WHUDRYRLXIKDNU-QFIPXVFZSA-N 1 1 448.567 4.217 50 0 IIAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)c1 ZINC000021904851 524401427 /nfs/dbraw/zinc/40/14/27/524401427.db2.gz RMQAHLJWTYFTNR-UHFFFAOYSA-N 1 1 437.547 4.201 50 0 IIAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(OC)c(O)cc3Cl)[N@@H+]3CCC[C@@]23C1=O ZINC000012459592 524455750 /nfs/dbraw/zinc/45/57/50/524455750.db2.gz UTSIGMROCORMLA-UXSWERMXSA-N 1 1 442.943 4.001 50 0 IIAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(OC)c(O)cc3Cl)[N@H+]3CCC[C@@]23C1=O ZINC000012459592 524455760 /nfs/dbraw/zinc/45/57/60/524455760.db2.gz UTSIGMROCORMLA-UXSWERMXSA-N 1 1 442.943 4.001 50 0 IIAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(OCc2ccccc2)c(OC)c1)[NH+](C)C ZINC000012761115 524792779 /nfs/dbraw/zinc/79/27/79/524792779.db2.gz QCSXILYGMUYMGG-QFIPXVFZSA-N 1 1 434.536 4.316 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012759874 525386648 /nfs/dbraw/zinc/38/66/48/525386648.db2.gz YBBLFYMJWBEQQZ-OKILXGFUSA-N 1 1 438.391 4.401 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)COc3ccc(Br)cc3)n2)C1 ZINC000012759874 525386656 /nfs/dbraw/zinc/38/66/56/525386656.db2.gz YBBLFYMJWBEQQZ-OKILXGFUSA-N 1 1 438.391 4.401 50 0 IIAAMO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012638638 525840870 /nfs/dbraw/zinc/84/08/70/525840870.db2.gz TUDDEUCIRHTXDW-OAHLLOKOSA-N 1 1 441.519 4.371 50 0 IIAAMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012638638 525840880 /nfs/dbraw/zinc/84/08/80/525840880.db2.gz TUDDEUCIRHTXDW-OAHLLOKOSA-N 1 1 441.519 4.371 50 0 IIAAMO Cc1ccsc1C[N@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012707013 525845946 /nfs/dbraw/zinc/84/59/46/525845946.db2.gz VEJYBVZVULSUJB-HSZRJFAPSA-N 1 1 425.642 4.393 50 0 IIAAMO Cc1ccc(C(=O)Nc2ccc(N3CCC([N@@H+](C)Cc4nccn4C)CC3)cc2)c(C)c1 ZINC000012097822 526221645 /nfs/dbraw/zinc/22/16/45/526221645.db2.gz GAMVKKOAVHQPAU-UHFFFAOYSA-N 1 1 431.584 4.390 50 0 IIAAMO Cc1ccc(C(=O)Nc2ccc(N3CCC([N@H+](C)Cc4nccn4C)CC3)cc2)c(C)c1 ZINC000012097822 526221653 /nfs/dbraw/zinc/22/16/53/526221653.db2.gz GAMVKKOAVHQPAU-UHFFFAOYSA-N 1 1 431.584 4.390 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1)NCc1ccccc1Cl ZINC000012372934 526554682 /nfs/dbraw/zinc/55/46/82/526554682.db2.gz BFVYXCFFXCZCCD-IBGZPJMESA-N 1 1 430.976 4.020 50 0 IIAAMO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3ccc(Oc4ncccn4)cc3)[N@H+]3CCC[C@@]123 ZINC000012301805 527037953 /nfs/dbraw/zinc/03/79/53/527037953.db2.gz QAUJFGLWZANEKF-DPPGTGKWSA-N 1 1 440.547 4.249 50 0 IIAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@@H+]1Cc1cccn1-c1ccccn1 ZINC000012448667 527147875 /nfs/dbraw/zinc/14/78/75/527147875.db2.gz VDXVEUVHGSMYOQ-HSZRJFAPSA-N 1 1 426.524 4.051 50 0 IIAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@H+]1Cc1cccn1-c1ccccn1 ZINC000012448667 527147880 /nfs/dbraw/zinc/14/78/80/527147880.db2.gz VDXVEUVHGSMYOQ-HSZRJFAPSA-N 1 1 426.524 4.051 50 0 IIAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@H+]1Cc1ccc(OCCO)cc1 ZINC000012436011 527251687 /nfs/dbraw/zinc/25/16/87/527251687.db2.gz JZRVELCAXWJUOL-XMMPIXPASA-N 1 1 447.535 4.238 50 0 IIAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@@H+]1Cc1ccc(OCCO)cc1 ZINC000012436011 527251689 /nfs/dbraw/zinc/25/16/89/527251689.db2.gz JZRVELCAXWJUOL-XMMPIXPASA-N 1 1 447.535 4.238 50 0 IIAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000012304221 527433472 /nfs/dbraw/zinc/43/34/72/527433472.db2.gz VFQDVWHRCKPIHH-KRWDZBQOSA-N 1 1 429.611 4.373 50 0 IIAAMO Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)c(C)c12 ZINC000021167557 527576257 /nfs/dbraw/zinc/57/62/57/527576257.db2.gz VEXVHQFXIZGXIF-HXUWFJFHSA-N 1 1 439.648 4.425 50 0 IIAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000012471864 527666085 /nfs/dbraw/zinc/66/60/85/527666085.db2.gz WNDWGJZPJBORCN-INIZCTEOSA-N 1 1 429.977 4.356 50 0 IIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)CCC(=O)N1CCOc2ccc(C)cc21)C1CCCCC1 ZINC000006798184 535554318 /nfs/dbraw/zinc/55/43/18/535554318.db2.gz PPFUDBJUIGBUQM-HXUWFJFHSA-N 1 1 429.605 4.050 50 0 IIAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c(OC)c1 ZINC000002492981 555784115 /nfs/dbraw/zinc/78/41/15/555784115.db2.gz XIPOGDPRIONHQC-JOCHJYFZSA-N 1 1 435.549 4.178 50 0 IIAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c(OC)c1 ZINC000002492981 555784120 /nfs/dbraw/zinc/78/41/20/555784120.db2.gz XIPOGDPRIONHQC-JOCHJYFZSA-N 1 1 435.549 4.178 50 0 IIAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000008892239 556230612 /nfs/dbraw/zinc/23/06/12/556230612.db2.gz SOAVQXHGWHDQAZ-LJQANCHMSA-N 1 1 442.441 4.093 50 0 IIAAMO Fc1ccc(-c2nnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc32)cc1 ZINC000004482513 556334512 /nfs/dbraw/zinc/33/45/12/556334512.db2.gz YKCHHTNGZNGZGJ-UHFFFAOYSA-N 1 1 442.494 4.487 50 0 IIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011770235 556350183 /nfs/dbraw/zinc/35/01/83/556350183.db2.gz VHBUXPQPWPHODX-JOCHJYFZSA-N 1 1 432.568 4.330 50 0 IIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000011770235 556350185 /nfs/dbraw/zinc/35/01/85/556350185.db2.gz VHBUXPQPWPHODX-JOCHJYFZSA-N 1 1 432.568 4.330 50 0 IIAAMO O=C(c1cc(-c2ccccc2F)n[nH]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000011818982 556361034 /nfs/dbraw/zinc/36/10/34/556361034.db2.gz CRFHLIYXOJMJPC-RUZDIDTESA-N 1 1 436.506 4.483 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4csc(C(C)C)n4)C3)C2)c1OC ZINC000011954058 556380732 /nfs/dbraw/zinc/38/07/32/556380732.db2.gz NIBBKQKNCNGHQP-DEOSSOPVSA-N 1 1 443.613 4.412 50 0 IIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccsc2)CCO3)C1 ZINC000012001482 556385873 /nfs/dbraw/zinc/38/58/73/556385873.db2.gz KFBHKTZFZDYYFR-QFIPXVFZSA-N 1 1 441.641 4.223 50 0 IIAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(Sc4nncn4C)o3)C2)cc1C ZINC000012026711 556387747 /nfs/dbraw/zinc/38/77/47/556387747.db2.gz XQHHOEOXGBZFGR-KRWDZBQOSA-N 1 1 440.569 4.280 50 0 IIAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Sc4nncn4C)o3)C2)cc1C ZINC000012026711 556387752 /nfs/dbraw/zinc/38/77/52/556387752.db2.gz XQHHOEOXGBZFGR-KRWDZBQOSA-N 1 1 440.569 4.280 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3c(OC)cc(OC)cc3OC)C2)cc1 ZINC000012053816 556393219 /nfs/dbraw/zinc/39/32/19/556393219.db2.gz LGCBWDTYSGZZTR-OAQYLSRUSA-N 1 1 442.600 4.108 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3c(OC)cc(OC)cc3OC)C2)cc1 ZINC000012053813 556393234 /nfs/dbraw/zinc/39/32/34/556393234.db2.gz LGCBWDTYSGZZTR-NRFANRHFSA-N 1 1 442.600 4.108 50 0 IIAAMO CCC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238434 556400348 /nfs/dbraw/zinc/40/03/48/556400348.db2.gz JEAIKYLDUVSQGX-IFMALSPDSA-N 1 1 425.525 4.017 50 0 IIAAMO COc1ccc(-c2noc(C[NH+]3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000012090411 556402474 /nfs/dbraw/zinc/40/24/74/556402474.db2.gz LXLFZEPBCFNXAR-UHFFFAOYSA-N 1 1 433.430 4.248 50 0 IIAAMO Cc1noc(C)c1CSc1ncccc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000027991172 556440058 /nfs/dbraw/zinc/44/00/58/556440058.db2.gz HLJDEHXEYGYILJ-UHFFFAOYSA-N 1 1 436.581 4.245 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+]2CCCCC2)cc1 ZINC000028289004 556448932 /nfs/dbraw/zinc/44/89/32/556448932.db2.gz ODIWEGWDHJRFCI-JOCHJYFZSA-N 1 1 434.536 4.375 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[NH+]2CCCCC2)cc1 ZINC000028290699 556449810 /nfs/dbraw/zinc/44/98/10/556449810.db2.gz ZRZQDHOYYZAJHN-JOCHJYFZSA-N 1 1 434.536 4.375 50 0 IIAAMO CC[NH+]1CCN(C2(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)CCCCC2)CC1 ZINC000028293531 556451015 /nfs/dbraw/zinc/45/10/15/556451015.db2.gz JZEWOBRRPVKXOE-FQEVSTJZSA-N 1 1 436.040 4.181 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](CCC(C)C)CC3)c1 ZINC000014958142 556463117 /nfs/dbraw/zinc/46/31/17/556463117.db2.gz NHBLNSJZCGHRGQ-QFIPXVFZSA-N 1 1 425.621 4.316 50 0 IIAAMO CCc1c(C(=O)NCc2cc3ccccc3s2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000014998258 556478617 /nfs/dbraw/zinc/47/86/17/556478617.db2.gz DJCXLBFQZLABSU-LJQANCHMSA-N 1 1 437.609 4.348 50 0 IIAAMO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC=C(c2c(OC)cc(OC)cc2OC)CC1 ZINC000029641225 556479391 /nfs/dbraw/zinc/47/93/91/556479391.db2.gz RELHFGFDOKJUKA-IBGZPJMESA-N 1 1 438.568 4.239 50 0 IIAAMO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC=C(c2c(OC)cc(OC)cc2OC)CC1 ZINC000029641225 556479395 /nfs/dbraw/zinc/47/93/95/556479395.db2.gz RELHFGFDOKJUKA-IBGZPJMESA-N 1 1 438.568 4.239 50 0 IIAAMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 ZINC000029685553 556480194 /nfs/dbraw/zinc/48/01/94/556480194.db2.gz SBYIVUPABSOSLH-AWEZNQCLSA-N 1 1 428.989 4.006 50 0 IIAAMO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)c1cccc2cccnc21 ZINC000015062840 556491094 /nfs/dbraw/zinc/49/10/94/556491094.db2.gz DFEUCVZIMKQFMM-SFHVURJKSA-N 1 1 435.549 4.172 50 0 IIAAMO Cc1ccc(C(=O)N2CCC(Oc3ccc(C[N@H+](C)Cc4cnn(C)c4)cc3)CC2)s1 ZINC000015070684 556495832 /nfs/dbraw/zinc/49/58/32/556495832.db2.gz WVPQXBDZQUVLDM-UHFFFAOYSA-N 1 1 438.597 4.106 50 0 IIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1)c1ccc2c(c1)OCO2 ZINC000015077850 556500020 /nfs/dbraw/zinc/50/00/20/556500020.db2.gz KHRXEFUZHQGSHT-QGZVFWFLSA-N 1 1 435.549 4.181 50 0 IIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969233 556569732 /nfs/dbraw/zinc/56/97/32/556569732.db2.gz BKGNLSHFTSZWQC-WUMKDDEVSA-N 1 1 444.959 4.361 50 0 IIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969233 556569733 /nfs/dbraw/zinc/56/97/33/556569733.db2.gz BKGNLSHFTSZWQC-WUMKDDEVSA-N 1 1 444.959 4.361 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccccn2)CC1 ZINC000019110759 556699955 /nfs/dbraw/zinc/69/99/55/556699955.db2.gz FWAIJFONBIQHCY-FQEVSTJZSA-N 1 1 426.992 4.076 50 0 IIAAMO CC(C)n1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000019224021 556716668 /nfs/dbraw/zinc/71/66/68/556716668.db2.gz XKZFVQHJIVWCAC-JOCHJYFZSA-N 1 1 435.538 4.269 50 0 IIAAMO CC(C)n1cc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000019224021 556716674 /nfs/dbraw/zinc/71/66/74/556716674.db2.gz XKZFVQHJIVWCAC-JOCHJYFZSA-N 1 1 435.538 4.269 50 0 IIAAMO Cc1cccn2c(C[NH2+]Cc3ccccc3OC(F)(F)F)c(C(=O)N3CCCCC3)nc12 ZINC000055168047 556736698 /nfs/dbraw/zinc/73/66/98/556736698.db2.gz UKHCUROBXGOQDI-UHFFFAOYSA-N 1 1 446.473 4.457 50 0 IIAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000061880466 556762480 /nfs/dbraw/zinc/76/24/80/556762480.db2.gz CJQCYIZNMDUATF-SFHVURJKSA-N 1 1 436.987 4.225 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000058169951 556767629 /nfs/dbraw/zinc/76/76/29/556767629.db2.gz PQSXDVDBONCONJ-ZJSXRUAMSA-N 1 1 443.494 4.315 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000058169951 556767632 /nfs/dbraw/zinc/76/76/32/556767632.db2.gz PQSXDVDBONCONJ-ZJSXRUAMSA-N 1 1 443.494 4.315 50 0 IIAAMO O=C1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000064044336 556822489 /nfs/dbraw/zinc/82/24/89/556822489.db2.gz OYDFZSQWWLQPAI-UHFFFAOYSA-N 1 1 440.849 4.322 50 0 IIAAMO COCc1ncc(C[N@H+]2CC[C@@H](c3ccnc(-c4ccc(-c5cc[nH]n5)cc4)c3)C2)cn1 ZINC000065409598 556836195 /nfs/dbraw/zinc/83/61/95/556836195.db2.gz GLDKBGVCNCKRTI-JOCHJYFZSA-N 1 1 426.524 4.065 50 0 IIAAMO C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000011212514 556842321 /nfs/dbraw/zinc/84/23/21/556842321.db2.gz GOTJFZTYGBAZPJ-CQSZACIVSA-N 1 1 441.881 4.276 50 0 IIAAMO C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000011212514 556842325 /nfs/dbraw/zinc/84/23/25/556842325.db2.gz GOTJFZTYGBAZPJ-CQSZACIVSA-N 1 1 441.881 4.276 50 0 IIAAMO CC(=O)O[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019808277 556918319 /nfs/dbraw/zinc/91/83/19/556918319.db2.gz FEVCCASQPMYOGA-SANMLTNESA-N 1 1 428.532 4.225 50 0 IIAAMO CCOc1ccc(C[N@H+](CCOC)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000033268843 556986350 /nfs/dbraw/zinc/98/63/50/556986350.db2.gz JJTVYGHRASNTOD-UHFFFAOYSA-N 1 1 449.576 4.470 50 0 IIAAMO CCOc1ccc(C[N@@H+](CCOC)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 ZINC000033268843 556986351 /nfs/dbraw/zinc/98/63/51/556986351.db2.gz JJTVYGHRASNTOD-UHFFFAOYSA-N 1 1 449.576 4.470 50 0 IIAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1C ZINC000020350878 557009211 /nfs/dbraw/zinc/00/92/11/557009211.db2.gz HCNYAQRZYHCMDH-NRFANRHFSA-N 1 1 447.579 4.205 50 0 IIAAMO O[C@@H](CSc1ccc(F)cc1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000020405993 557013780 /nfs/dbraw/zinc/01/37/80/557013780.db2.gz KOPLFTIFAQLYGS-MRXNPFEDSA-N 1 1 437.993 4.364 50 0 IIAAMO Cc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N2CC[NH+](C)CC2)o1 ZINC000022938392 557053280 /nfs/dbraw/zinc/05/32/80/557053280.db2.gz LIUSRZQUXRWSHW-KRWDZBQOSA-N 1 1 431.989 4.483 50 0 IIAAMO O=C(NC[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1)c1cccc(C(F)(F)F)c1 ZINC000023310327 557083498 /nfs/dbraw/zinc/08/34/98/557083498.db2.gz HOMDMBXAVGQCMQ-MRXNPFEDSA-N 1 1 444.457 4.397 50 0 IIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1)c1cccc(C(F)(F)F)c1 ZINC000023310327 557083500 /nfs/dbraw/zinc/08/35/00/557083500.db2.gz HOMDMBXAVGQCMQ-MRXNPFEDSA-N 1 1 444.457 4.397 50 0 IIAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)[nH+]c(C)n1 ZINC000033324503 557106258 /nfs/dbraw/zinc/10/62/58/557106258.db2.gz XGBDHDPMDWWYGQ-UHFFFAOYSA-N 1 1 425.558 4.484 50 0 IIAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1Cl ZINC000033326853 557108792 /nfs/dbraw/zinc/10/87/92/557108792.db2.gz KCQMQYHLYUZKRC-UHFFFAOYSA-N 1 1 447.948 4.057 50 0 IIAAMO O=C(CSc1nc2cc(Cl)ccc2s1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023907500 557124495 /nfs/dbraw/zinc/12/44/95/557124495.db2.gz YTCYWCGEQMAINW-UHFFFAOYSA-N 1 1 448.013 4.190 50 0 IIAAMO Cc1c2cc(Br)ccc2oc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027662839 557269234 /nfs/dbraw/zinc/26/92/34/557269234.db2.gz OARQXKKFPWQWIE-UHFFFAOYSA-N 1 1 448.405 4.184 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2)C1 ZINC000105008243 557471788 /nfs/dbraw/zinc/47/17/88/557471788.db2.gz INDPNGGZZBGCES-ILBGXUMGSA-N 1 1 447.579 4.256 50 0 IIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2)C1 ZINC000105008243 557471791 /nfs/dbraw/zinc/47/17/91/557471791.db2.gz INDPNGGZZBGCES-ILBGXUMGSA-N 1 1 447.579 4.256 50 0 IIAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1cccc(OC)c1 ZINC000105049974 557474011 /nfs/dbraw/zinc/47/40/11/557474011.db2.gz YVUQNKYKMZJWHZ-JTHBVZDNSA-N 1 1 444.641 4.412 50 0 IIAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1cccc(OC)c1 ZINC000105049975 557474018 /nfs/dbraw/zinc/47/40/18/557474018.db2.gz YVUQNKYKMZJWHZ-FYYLOGMGSA-N 1 1 444.641 4.412 50 0 IIAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105050456 557474268 /nfs/dbraw/zinc/47/42/68/557474268.db2.gz AATAXLOUXXIGDO-RDGATRHJSA-N 1 1 425.617 4.390 50 0 IIAAMO C[C@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000106926275 557533488 /nfs/dbraw/zinc/53/34/88/557533488.db2.gz PKORKFLCUDXWMW-ZIAGYGMSSA-N 1 1 428.886 4.395 50 0 IIAAMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000225759013 557773799 /nfs/dbraw/zinc/77/37/99/557773799.db2.gz SGZUPKUMYMSAEQ-RUZDIDTESA-N 1 1 443.591 4.377 50 0 IIAAMO CCOCCN1CC[N@@H+](C[C@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000225847043 557784675 /nfs/dbraw/zinc/78/46/75/557784675.db2.gz SHTSUYDYNQWHCN-PMACEKPBSA-N 1 1 447.620 4.285 50 0 IIAAMO CCOCC[N@@H+]1CCN(C[C@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000225847043 557784677 /nfs/dbraw/zinc/78/46/77/557784677.db2.gz SHTSUYDYNQWHCN-PMACEKPBSA-N 1 1 447.620 4.285 50 0 IIAAMO CCOCC[N@H+]1CCN(C[C@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000225847043 557784679 /nfs/dbraw/zinc/78/46/79/557784679.db2.gz SHTSUYDYNQWHCN-PMACEKPBSA-N 1 1 447.620 4.285 50 0 IIAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000229982069 557834838 /nfs/dbraw/zinc/83/48/38/557834838.db2.gz ZFEWDPAJNNOVCY-BJKOFHAPSA-N 1 1 431.580 4.375 50 0 IIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)NC(=O)c1ccc(Br)cc1 ZINC000009373652 562969723 /nfs/dbraw/zinc/96/97/23/562969723.db2.gz PIZSXFVKTPLNGH-MJGOQNOKSA-N 1 1 444.398 4.080 50 0 IIAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000058085787 563143358 /nfs/dbraw/zinc/14/33/58/563143358.db2.gz QQHOVWIRORFMSP-YADHBBJMSA-N 1 1 448.032 4.060 50 0 IIAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984484 568623149 /nfs/dbraw/zinc/62/31/49/568623149.db2.gz YPXJQBYYVQCWND-FGZHOGPDSA-N 1 1 432.511 4.136 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000104984789 568623510 /nfs/dbraw/zinc/62/35/10/568623510.db2.gz NCVGVSRNJSODEI-JTHBVZDNSA-N 1 1 444.547 4.006 50 0 IIAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104985201 568623632 /nfs/dbraw/zinc/62/36/32/568623632.db2.gz VFTFPNGXZFRIJO-ILBGXUMGSA-N 1 1 434.511 4.261 50 0 IIAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104985201 568623633 /nfs/dbraw/zinc/62/36/33/568623633.db2.gz VFTFPNGXZFRIJO-ILBGXUMGSA-N 1 1 434.511 4.261 50 0 IIAAMO Cc1cccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1I ZINC000048332814 568625685 /nfs/dbraw/zinc/62/56/85/568625685.db2.gz KXYYQUGKBSOWHN-GASCZTMLSA-N 1 1 428.358 4.088 50 0 IIAAMO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc2ccccc2n1 ZINC000015076662 568636157 /nfs/dbraw/zinc/63/61/57/568636157.db2.gz RNNKBRLICDAYKR-OAQYLSRUSA-N 1 1 448.586 4.290 50 0 IIAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000001072948 568657688 /nfs/dbraw/zinc/65/76/88/568657688.db2.gz QHHDQUUKSRBBNM-YOEHRIQHSA-N 1 1 448.445 4.429 50 0 IIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1sc(C)nc1-c1ccccc1 ZINC000263585547 568758877 /nfs/dbraw/zinc/75/88/77/568758877.db2.gz JXTXUXFIACSZED-LEWJYISDSA-N 1 1 427.614 4.472 50 0 biogenic IIAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000004126997 568780923 /nfs/dbraw/zinc/78/09/23/568780923.db2.gz QHHDQUUKSRBBNM-RHSMWYFYSA-N 1 1 448.445 4.429 50 0 IIAAMO Cc1c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nnn1-c1cccc2cccnc21 ZINC000084061094 568790858 /nfs/dbraw/zinc/79/08/58/568790858.db2.gz GUAFIAPZTSKYGH-LJQANCHMSA-N 1 1 446.599 4.241 50 0 IIAAMO CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983630 568838762 /nfs/dbraw/zinc/83/87/62/568838762.db2.gz DILLGLRMGMRCSI-NHCUHLMSSA-N 1 1 437.367 4.386 50 0 IIAAMO CCCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(Cl)cc12 ZINC000043746872 568896855 /nfs/dbraw/zinc/89/68/55/568896855.db2.gz SQCAWOQEOFOTCX-PXNSSMCTSA-N 1 1 446.975 4.158 50 0 IIAAMO COc1ccc2cc([C@]3(C)NC(=O)N(C[N@@H+]4CCC[C@H]4c4cccs4)C3=O)ccc2c1 ZINC000239358419 568911421 /nfs/dbraw/zinc/91/14/21/568911421.db2.gz NGIVPLBWISRNAL-RDPSFJRHSA-N 1 1 435.549 4.472 50 0 IIAAMO COc1ccc2cc([C@]3(C)NC(=O)N(C[N@H+]4CCC[C@H]4c4cccs4)C3=O)ccc2c1 ZINC000239358419 568911424 /nfs/dbraw/zinc/91/14/24/568911424.db2.gz NGIVPLBWISRNAL-RDPSFJRHSA-N 1 1 435.549 4.472 50 0 IIAAMO CCC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000241121802 568912099 /nfs/dbraw/zinc/91/20/99/568912099.db2.gz JEAIKYLDUVSQGX-IRLDBZIGSA-N 1 1 425.525 4.017 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036095750 568951624 /nfs/dbraw/zinc/95/16/24/568951624.db2.gz NETLASIGWPMSRP-LJQANCHMSA-N 1 1 431.916 4.392 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036095750 568951625 /nfs/dbraw/zinc/95/16/25/568951625.db2.gz NETLASIGWPMSRP-LJQANCHMSA-N 1 1 431.916 4.392 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)cc1OC ZINC000036095986 568951635 /nfs/dbraw/zinc/95/16/35/568951635.db2.gz RPIRPYWJKQKOGA-QFIPXVFZSA-N 1 1 425.500 4.285 50 0 IIAAMO Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801087 568960724 /nfs/dbraw/zinc/96/07/24/568960724.db2.gz UVOCVBAFQDWJHR-UHFFFAOYSA-N 1 1 441.894 4.410 50 0 IIAAMO CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1 ZINC000064801824 568961441 /nfs/dbraw/zinc/96/14/41/568961441.db2.gz BTIKDCWLNZPSMA-UHFFFAOYSA-N 1 1 437.569 4.492 50 0 IIAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000036146224 568962000 /nfs/dbraw/zinc/96/20/00/568962000.db2.gz VKGQATDSZHLVSF-BJKOFHAPSA-N 1 1 448.538 4.399 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146332 568962146 /nfs/dbraw/zinc/96/21/46/568962146.db2.gz OJLKOOAHACFCBL-GGAORHGYSA-N 1 1 446.975 4.130 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146953 568962750 /nfs/dbraw/zinc/96/27/50/568962750.db2.gz HUUSDDMAXNKQPA-OZXSUGGESA-N 1 1 446.547 4.130 50 0 IIAAMO CCCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036250759 568984292 /nfs/dbraw/zinc/98/42/92/568984292.db2.gz NYWLKWARCGDUGP-HXUWFJFHSA-N 1 1 440.415 4.178 50 0 IIAAMO C[C@H](NC(=O)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169678510 568989866 /nfs/dbraw/zinc/98/98/66/568989866.db2.gz DXJUHIVEXNDUNR-BBVXACFBSA-N 1 1 425.576 4.427 50 0 IIAAMO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169678695 568989967 /nfs/dbraw/zinc/98/99/67/568989967.db2.gz DKNUMTGHKPSIRT-UNMCSNQZSA-N 1 1 447.501 4.220 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1 ZINC000064942918 568992145 /nfs/dbraw/zinc/99/21/45/568992145.db2.gz ZXZHNEAJYJQWFH-IBGZPJMESA-N 1 1 437.009 4.170 50 0 IIAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303803 568994199 /nfs/dbraw/zinc/99/41/99/568994199.db2.gz JPCZBWIGXRBCEP-OAQYLSRUSA-N 1 1 439.556 4.201 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303803 568994203 /nfs/dbraw/zinc/99/42/03/568994203.db2.gz JPCZBWIGXRBCEP-OAQYLSRUSA-N 1 1 439.556 4.201 50 0 IIAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O ZINC000036308880 568995709 /nfs/dbraw/zinc/99/57/09/568995709.db2.gz UNCAJBSARARORS-GCJKJVERSA-N 1 1 430.614 4.079 50 0 IIAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000036345519 569080718 /nfs/dbraw/zinc/08/07/18/569080718.db2.gz PVDXKFXJLMCSEA-VWLOTQADSA-N 1 1 442.563 4.084 50 0 IIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345779 569080793 /nfs/dbraw/zinc/08/07/93/569080793.db2.gz WEBFYYXFWJJPKM-DEOSSOPVSA-N 1 1 435.568 4.484 50 0 IIAAMO COC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346366 569081201 /nfs/dbraw/zinc/08/12/01/569081201.db2.gz ASNSKYRWAUJFBQ-OAQYLSRUSA-N 1 1 425.504 4.084 50 0 IIAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346366 569081203 /nfs/dbraw/zinc/08/12/03/569081203.db2.gz ASNSKYRWAUJFBQ-OAQYLSRUSA-N 1 1 425.504 4.084 50 0 IIAAMO COc1ccc(-c2nc(-c3ccc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)s3)no2)cc1 ZINC000065062900 569097132 /nfs/dbraw/zinc/09/71/32/569097132.db2.gz BXTQXHVAWLKLEN-INIZCTEOSA-N 1 1 440.569 4.326 50 0 IIAAMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000036447031 569111252 /nfs/dbraw/zinc/11/12/52/569111252.db2.gz NJFOKFGMJMJSBQ-CVEARBPZSA-N 1 1 430.346 4.127 50 0 IIAAMO Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C)nc4c3cnn4-c3ccccc3F)CC2)cc1 ZINC000036615935 569122599 /nfs/dbraw/zinc/12/25/99/569122599.db2.gz MDDSVYMDIZHGGP-UHFFFAOYSA-N 1 1 443.526 4.134 50 0 IIAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000036618471 569124365 /nfs/dbraw/zinc/12/43/65/569124365.db2.gz VYVZQNBPKXCOIW-UHFFFAOYSA-N 1 1 430.483 4.474 50 0 IIAAMO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccccc3Br)CC2)c2ccccc21 ZINC000065330056 569137091 /nfs/dbraw/zinc/13/70/91/569137091.db2.gz UNDHKQXFENYNBD-UHFFFAOYSA-N 1 1 427.346 4.291 50 0 IIAAMO Cc1coc2c1cc1c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc1c2C ZINC000170613369 569146218 /nfs/dbraw/zinc/14/62/18/569146218.db2.gz IBKWTWBXROGHHK-AVRDEDQJSA-N 1 1 436.552 4.388 50 0 IIAAMO COc1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662037 569160732 /nfs/dbraw/zinc/16/07/32/569160732.db2.gz RTPFTTKFXSIMNB-UXHICEINSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662037 569160734 /nfs/dbraw/zinc/16/07/34/569160734.db2.gz RTPFTTKFXSIMNB-UXHICEINSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016891267 569165749 /nfs/dbraw/zinc/16/57/49/569165749.db2.gz GOBFYLIDZNMIAP-NTKDMRAZSA-N 1 1 435.593 4.439 50 0 IIAAMO COc1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000016891273 569165761 /nfs/dbraw/zinc/16/57/61/569165761.db2.gz GOBFYLIDZNMIAP-DVECYGJZSA-N 1 1 435.593 4.439 50 0 IIAAMO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(-c2ccccc2)nn1 ZINC000252515180 569189230 /nfs/dbraw/zinc/18/92/30/569189230.db2.gz HTXWGUPEFBIFNJ-WOJBJXKFSA-N 1 1 440.469 4.417 50 0 IIAAMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000078995870 569321765 /nfs/dbraw/zinc/32/17/65/569321765.db2.gz NDQTWGPCTUZXAJ-UHFFFAOYSA-N 1 1 437.341 4.477 50 0 IIAAMO NC(=O)[C@@H]1CCC[C@H]1Nc1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000079063974 569324301 /nfs/dbraw/zinc/32/43/01/569324301.db2.gz IATODIXGVCSAKX-IEBWSBKVSA-N 1 1 435.597 4.410 50 0 IIAAMO O=C(C[NH2+][C@@H](CN1CCCC1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000095462574 569370159 /nfs/dbraw/zinc/37/01/59/569370159.db2.gz QMQONKWHCDMIHJ-DEOSSOPVSA-N 1 1 429.568 4.115 50 0 IIAAMO O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095477655 569373388 /nfs/dbraw/zinc/37/33/88/569373388.db2.gz UJYFRCKIVGVVAJ-JOCHJYFZSA-N 1 1 436.987 4.097 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057478339 569435876 /nfs/dbraw/zinc/43/58/76/569435876.db2.gz OOEXQYQDLKYHFJ-OAQYLSRUSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057478339 569435877 /nfs/dbraw/zinc/43/58/77/569435877.db2.gz OOEXQYQDLKYHFJ-OAQYLSRUSA-N 1 1 427.932 4.033 50 0 IIAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccn4-c4ccccn4)C3)C2)c1OC ZINC000015068491 569481935 /nfs/dbraw/zinc/48/19/35/569481935.db2.gz ZJWZURQEODWPDR-HHHXNRCGSA-N 1 1 446.595 4.378 50 0 IIAAMO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccn4-c4ccccn4)C3)C2)c1OC ZINC000015068491 569481936 /nfs/dbraw/zinc/48/19/36/569481936.db2.gz ZJWZURQEODWPDR-HHHXNRCGSA-N 1 1 446.595 4.378 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccn4-c4ccccn4)C3)C2)c1OC ZINC000015068491 569481937 /nfs/dbraw/zinc/48/19/37/569481937.db2.gz ZJWZURQEODWPDR-HHHXNRCGSA-N 1 1 446.595 4.378 50 0 IIAAMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC000040025004 569482827 /nfs/dbraw/zinc/48/28/27/569482827.db2.gz CJTAULPWTVABRR-UHFFFAOYSA-N 1 1 432.520 4.395 50 0 IIAAMO Cc1cccc(NC(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)CC2)c1 ZINC000040150343 569493133 /nfs/dbraw/zinc/49/31/33/569493133.db2.gz KTPNPNFPPFTSEL-QFIPXVFZSA-N 1 1 442.991 4.311 50 0 IIAAMO O=C(Cc1ccccc1)N[C@@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl ZINC000009033398 569497134 /nfs/dbraw/zinc/49/71/34/569497134.db2.gz VXOCOWBDBQLXEI-SCTDSRPQSA-N 1 1 433.807 4.323 50 0 biogenic IIAAMO CCOC(=O)C1=C(CN2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000245257674 569501589 /nfs/dbraw/zinc/50/15/89/569501589.db2.gz CFYSQFVGGMADQS-QPPBQGQZSA-N 1 1 433.552 4.046 50 0 IIAAMO COc1ccc(-c2c(NC(=O)C[N@@H+]3CCC[C@H](C)C3)oc3ccccc3c2=O)cc1OC ZINC000009129556 569505769 /nfs/dbraw/zinc/50/57/69/569505769.db2.gz RVELSBJYJSGGRJ-INIZCTEOSA-N 1 1 436.508 4.148 50 0 IIAAMO COc1ccc(-c2c(NC(=O)C[N@H+]3CCC[C@H](C)C3)oc3ccccc3c2=O)cc1OC ZINC000009129556 569505770 /nfs/dbraw/zinc/50/57/70/569505770.db2.gz RVELSBJYJSGGRJ-INIZCTEOSA-N 1 1 436.508 4.148 50 0 IIAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)[C@@H]4C[C@H]4c4ccccc4F)CC3)n2)cc1 ZINC000070019796 569528817 /nfs/dbraw/zinc/52/88/17/569528817.db2.gz BDJAKKTWILDDPD-FCHUYYIVSA-N 1 1 448.542 4.065 50 0 IIAAMO CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000009432377 569534333 /nfs/dbraw/zinc/53/43/33/569534333.db2.gz VRVVRZMLMVKKCY-BJKOFHAPSA-N 1 1 447.604 4.297 50 0 IIAAMO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc(Br)c1O ZINC000009849607 569571343 /nfs/dbraw/zinc/57/13/43/569571343.db2.gz FOLAMZAZECIHAQ-UHFFFAOYSA-N 1 1 447.373 4.000 50 0 IIAAMO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000010300030 569580641 /nfs/dbraw/zinc/58/06/41/569580641.db2.gz VUPNYLKFTSQRMU-UHFFFAOYSA-N 1 1 429.568 4.070 50 0 IIAAMO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+](C)CCC ZINC000035991203 569587792 /nfs/dbraw/zinc/58/77/92/569587792.db2.gz BVKMIEHVOIXSEG-LJQANCHMSA-N 1 1 440.371 4.405 50 0 IIAAMO C(=C/c1ccccc1)\C[NH+]1CCN(c2nc3ccccc3c(NC[C@@H]3CCCO3)n2)CC1 ZINC000041151801 518371488 /nfs/dbraw/zinc/37/14/88/518371488.db2.gz ZJHZFMAYMSXNFA-FLVSMNSFSA-N 1 1 429.568 4.056 50 0 IIAAMO CC(C)(C)c1cc([C@@H](c2cccnc2)N2CC[NH+](CCO)CC2)cc(C(C)(C)C)c1O ZINC000021486607 519005846 /nfs/dbraw/zinc/00/58/46/519005846.db2.gz BCZBEPCVKBTUCC-HSZRJFAPSA-N 1 1 425.617 4.082 50 0 IIAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cc1 ZINC000012201233 519716237 /nfs/dbraw/zinc/71/62/37/519716237.db2.gz GWEWFMIBHNDXSU-SFHVURJKSA-N 1 1 429.511 4.232 50 0 IIAAMO CC(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485622 519837653 /nfs/dbraw/zinc/83/76/53/519837653.db2.gz WEPZKJIBAVSIRI-UIOOFZCWSA-N 1 1 441.575 4.191 50 0 IIAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000035991206 520510179 /nfs/dbraw/zinc/51/01/79/520510179.db2.gz NHSDYGIVGMPOFP-IBGZPJMESA-N 1 1 440.371 4.383 50 0 IIAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2)C(C)C ZINC000012191724 521186955 /nfs/dbraw/zinc/18/69/55/521186955.db2.gz KGTKFPUYCPUGDT-SANMLTNESA-N 1 1 443.595 4.131 50 0 IIAAMO CCOc1ccc([C@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020444393 521277086 /nfs/dbraw/zinc/27/70/86/521277086.db2.gz SJWUHMNAKMLBIW-XCZPVHLTSA-N 1 1 447.575 4.446 50 0 IIAAMO CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012477996 521296263 /nfs/dbraw/zinc/29/62/63/521296263.db2.gz JKYBSNOPMCAQQC-HXUWFJFHSA-N 1 1 428.548 4.340 50 0 IIAAMO CCN(Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012477996 521296305 /nfs/dbraw/zinc/29/63/05/521296305.db2.gz JKYBSNOPMCAQQC-HXUWFJFHSA-N 1 1 428.548 4.340 50 0 IIAAMO CCN(Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012477996 521296313 /nfs/dbraw/zinc/29/63/13/521296313.db2.gz JKYBSNOPMCAQQC-HXUWFJFHSA-N 1 1 428.548 4.340 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020494709 521370222 /nfs/dbraw/zinc/37/02/22/521370222.db2.gz MHDXUMMTFHBYOU-IAGOWNOFSA-N 1 1 430.570 4.338 50 0 IIAAMO CCOC(=O)c1cnc(-c2ccc(OC)c(OC)c2)nc1NCCC[N@H+]1CCCC[C@H]1C ZINC000022666438 521568849 /nfs/dbraw/zinc/56/88/49/521568849.db2.gz MZBCVTLFSPROJB-QGZVFWFLSA-N 1 1 442.560 4.014 50 0 IIAAMO CCCn1ncc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000022851632 521672121 /nfs/dbraw/zinc/67/21/21/521672121.db2.gz DDIVFQUMAVDBJJ-HSZRJFAPSA-N 1 1 449.565 4.407 50 0 IIAAMO CCCn1ncc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C ZINC000022851632 521672123 /nfs/dbraw/zinc/67/21/23/521672123.db2.gz DDIVFQUMAVDBJJ-HSZRJFAPSA-N 1 1 449.565 4.407 50 0 IIAAMO C[N@@H+](CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCCc2ccccc21 ZINC000022062465 522500211 /nfs/dbraw/zinc/50/02/11/522500211.db2.gz FBMFIILDYXNFBY-GOSISDBHSA-N 1 1 431.330 4.168 50 0 IIAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012754812 522517903 /nfs/dbraw/zinc/51/79/03/522517903.db2.gz OFMLIVOQLWWGIH-KRWDZBQOSA-N 1 1 443.975 4.012 50 0 IIAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]13)CC2 ZINC000012881692 523031292 /nfs/dbraw/zinc/03/12/92/523031292.db2.gz APKCVAIEWYWHDF-YZUCHWKGSA-N 1 1 425.569 4.376 50 0 biogenic IIAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3OC)[NH+]3CCCCC3)no2)cc1 ZINC000011905379 523098925 /nfs/dbraw/zinc/09/89/25/523098925.db2.gz DVRLYPZRIVRYDB-JOCHJYFZSA-N 1 1 435.524 4.316 50 0 IIAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](CCO)CC23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000012317184 523184143 /nfs/dbraw/zinc/18/41/43/523184143.db2.gz BAIVAWGNRXKGLO-UHFFFAOYSA-N 1 1 425.573 4.105 50 0 IIAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)c(OC)c1 ZINC000012711374 523200526 /nfs/dbraw/zinc/20/05/26/523200526.db2.gz OBISNQFKJDUNJH-SFHVURJKSA-N 1 1 427.545 4.034 50 0 IIAAMO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(F)c2F)CC1)c1ccccc1 ZINC000011818223 523334023 /nfs/dbraw/zinc/33/40/23/523334023.db2.gz DXRWJICDKGOVDN-HSZRJFAPSA-N 1 1 440.494 4.325 50 0 IIAAMO COc1ccc(CN(C)Cc2ncccc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012320310 524007883 /nfs/dbraw/zinc/00/78/83/524007883.db2.gz XUXZGMLOBODKDA-HSZRJFAPSA-N 1 1 441.616 4.036 50 0 IIAAMO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1O ZINC000020450258 524027520 /nfs/dbraw/zinc/02/75/20/524027520.db2.gz HPRRPGXHKUZGAD-OAQYLSRUSA-N 1 1 449.517 4.206 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1O ZINC000020450258 524027526 /nfs/dbraw/zinc/02/75/26/524027526.db2.gz HPRRPGXHKUZGAD-OAQYLSRUSA-N 1 1 449.517 4.206 50 0 IIAAMO Cc1cccc(-n2ncc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2-n2cccc2)c1 ZINC000020980173 524146053 /nfs/dbraw/zinc/14/60/53/524146053.db2.gz HDQONPLQHKGBTA-UHFFFAOYSA-N 1 1 439.563 4.150 50 0 IIAAMO Cc1cccc(C[NH+]2CCN(Cc3nc(=O)c4c(-c5ccc(F)cc5)csc4[nH]3)CC2)c1 ZINC000022834579 524400066 /nfs/dbraw/zinc/40/00/66/524400066.db2.gz OUMYQMWDIOAANG-UHFFFAOYSA-N 1 1 448.567 4.417 50 0 IIAAMO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)c1C ZINC000012748492 524590331 /nfs/dbraw/zinc/59/03/31/524590331.db2.gz CYNUHDGCYUFFJG-UHFFFAOYSA-N 1 1 436.325 4.104 50 0 IIAAMO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)c1C ZINC000012748492 524590337 /nfs/dbraw/zinc/59/03/37/524590337.db2.gz CYNUHDGCYUFFJG-UHFFFAOYSA-N 1 1 436.325 4.104 50 0 IIAAMO Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](CCc2ccccc2)CC3)c1C ZINC000020467803 524602507 /nfs/dbraw/zinc/60/25/07/524602507.db2.gz QUDAIVBMFCCTPM-UHFFFAOYSA-N 1 1 448.592 4.131 50 0 IIAAMO COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000012785627 525728787 /nfs/dbraw/zinc/72/87/87/525728787.db2.gz GGBNZQFRHUNUML-JOCHJYFZSA-N 1 1 448.498 4.313 50 0 IIAAMO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)nn2)cc1 ZINC000035398135 525751987 /nfs/dbraw/zinc/75/19/87/525751987.db2.gz GNUUPLVMCPXHPM-JOCHJYFZSA-N 1 1 435.616 4.049 50 0 IIAAMO COc1cccc(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1OC ZINC000012217448 525939040 /nfs/dbraw/zinc/93/90/40/525939040.db2.gz OYZIODDAVVDYRU-LJQANCHMSA-N 1 1 442.629 4.061 50 0 IIAAMO COc1cccc(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4OC)CC3)nc2)c1 ZINC000034682064 526192829 /nfs/dbraw/zinc/19/28/29/526192829.db2.gz CCJYZTLGPHNKHY-UHFFFAOYSA-N 1 1 447.539 4.065 50 0 IIAAMO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1cc2ccccc2oc1=O ZINC000022766084 526582659 /nfs/dbraw/zinc/58/26/59/526582659.db2.gz PTJMKVPFUQYJAM-JOCHJYFZSA-N 1 1 430.529 4.384 50 0 IIAAMO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1cc2ccccc2oc1=O ZINC000022766084 526582665 /nfs/dbraw/zinc/58/26/65/526582665.db2.gz PTJMKVPFUQYJAM-JOCHJYFZSA-N 1 1 430.529 4.384 50 0 IIAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000020998376 526728390 /nfs/dbraw/zinc/72/83/90/526728390.db2.gz RAPDGIJGJVMKRN-GASCZTMLSA-N 1 1 447.963 4.106 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Br)cc1 ZINC000012786509 526758196 /nfs/dbraw/zinc/75/81/96/526758196.db2.gz MMTVSRITCXHBJU-SFHVURJKSA-N 1 1 431.330 4.386 50 0 IIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Br)cc1 ZINC000012786509 526758202 /nfs/dbraw/zinc/75/82/02/526758202.db2.gz MMTVSRITCXHBJU-SFHVURJKSA-N 1 1 431.330 4.386 50 0 IIAAMO O=C1CCCN1CCC1CC[NH+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000012386745 526974133 /nfs/dbraw/zinc/97/41/33/526974133.db2.gz UEXFNTQRLLUISO-UHFFFAOYSA-N 1 1 444.579 4.474 50 0 IIAAMO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012433679 527138589 /nfs/dbraw/zinc/13/85/89/527138589.db2.gz GJDIHJPVGCGJCD-NRFANRHFSA-N 1 1 426.524 4.113 50 0 IIAAMO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000015681635 527526458 /nfs/dbraw/zinc/52/64/58/527526458.db2.gz RRDTZKZGPHBRHH-UHFFFAOYSA-N 1 1 437.563 4.495 50 0 IIAAMO CN(CCC[N@@H+](C)CCCNC(=O)c1ccccc1Br)Cc1ccccc1 ZINC000002180665 555753301 /nfs/dbraw/zinc/75/33/01/555753301.db2.gz ZNQGWBMQQHTCNE-UHFFFAOYSA-N 1 1 432.406 4.023 50 0 IIAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3cccc(C)c3)cc2)CC1 ZINC000034668510 555792420 /nfs/dbraw/zinc/79/24/20/555792420.db2.gz RKKVWAUWFKQHJZ-UHFFFAOYSA-N 1 1 429.564 4.256 50 0 IIAAMO COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC ZINC000034800856 555907802 /nfs/dbraw/zinc/90/78/02/555907802.db2.gz ZXDXTZCGQKIDNV-OALUTQOASA-N 1 1 442.581 4.071 50 0 IIAAMO COc1c(C)cc([C@@H]2CCc3nc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)cn3C2)cc1C ZINC000034899263 555928556 /nfs/dbraw/zinc/92/85/56/555928556.db2.gz XKKFNCNJUALHDT-LEWJYISDSA-N 1 1 438.616 4.233 50 0 IIAAMO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009418907 556289123 /nfs/dbraw/zinc/28/91/23/556289123.db2.gz NTSXTJZIJLFBGY-WMZHIEFXSA-N 1 1 441.487 4.163 50 0 IIAAMO CCCCc1nc(C[N@@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c[nH]1 ZINC000011664844 556345760 /nfs/dbraw/zinc/34/57/60/556345760.db2.gz WLORZLFPILEHQQ-GOSISDBHSA-N 1 1 429.008 4.466 50 0 IIAAMO CCCCc1nc(C[N@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)c[nH]1 ZINC000011664844 556345763 /nfs/dbraw/zinc/34/57/63/556345763.db2.gz WLORZLFPILEHQQ-GOSISDBHSA-N 1 1 429.008 4.466 50 0 IIAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000011782205 556350907 /nfs/dbraw/zinc/35/09/07/556350907.db2.gz OZMMAFGQGISWLS-OAQYLSRUSA-N 1 1 445.611 4.270 50 0 IIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000011817757 556360060 /nfs/dbraw/zinc/36/00/60/556360060.db2.gz IGLWZWTXNSJLGA-FQEVSTJZSA-N 1 1 439.556 4.232 50 0 IIAAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 ZINC000011818092 556360548 /nfs/dbraw/zinc/36/05/48/556360548.db2.gz KTOHRJCMWLSQBX-DEOSSOPVSA-N 1 1 435.612 4.032 50 0 IIAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)nc2ccccc21 ZINC000011819402 556361414 /nfs/dbraw/zinc/36/14/14/556361414.db2.gz HCFJMAKPFKTSKE-FQEVSTJZSA-N 1 1 442.567 4.401 50 0 IIAAMO Cc1cc(C(=O)NCCOc2ccc(C[N@@H+](C)Cc3cccc4ccccc43)cc2)n(C)n1 ZINC000011870428 556368663 /nfs/dbraw/zinc/36/86/63/556368663.db2.gz OQTLMCDATSOPMS-UHFFFAOYSA-N 1 1 442.563 4.323 50 0 IIAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000012076728 556397901 /nfs/dbraw/zinc/39/79/01/556397901.db2.gz WNDGJTCMVNFWDI-LJQANCHMSA-N 1 1 436.474 4.165 50 0 IIAAMO Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3)n2)cc1 ZINC000032579068 556406052 /nfs/dbraw/zinc/40/60/52/556406052.db2.gz BQBQBQKODWWKSS-IBGZPJMESA-N 1 1 434.540 4.081 50 0 IIAAMO Cc1nc(CNC(=O)CC[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)cs1 ZINC000014879088 556452352 /nfs/dbraw/zinc/45/23/52/556452352.db2.gz WVWJFNLOYFCZJB-QFIPXVFZSA-N 1 1 425.529 4.233 50 0 IIAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCc2ccccc21 ZINC000029486134 556476434 /nfs/dbraw/zinc/47/64/34/556476434.db2.gz KWYUWOWEJRMKGS-JOCHJYFZSA-N 1 1 443.503 4.225 50 0 IIAAMO O=C(NC[C@@H]1CCC[N@H+](C2CSCCSC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015067244 556493441 /nfs/dbraw/zinc/49/34/41/556493441.db2.gz FOCWQWKASVKLJA-INIZCTEOSA-N 1 1 425.063 4.048 50 0 IIAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)cc1 ZINC000015074300 556498476 /nfs/dbraw/zinc/49/84/76/556498476.db2.gz QUSADPXRZUPWIM-SFHVURJKSA-N 1 1 435.524 4.197 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955226 556517841 /nfs/dbraw/zinc/51/78/41/556517841.db2.gz WUGOBRSNMCICIL-UHFFFAOYSA-N 1 1 426.904 4.249 50 0 IIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cc(F)cc(F)c4)CC3)nc(C)[nH+]2)cc1 ZINC000033326804 556561710 /nfs/dbraw/zinc/56/17/10/556561710.db2.gz AJZXJSKBFNOFDK-UHFFFAOYSA-N 1 1 438.482 4.469 50 0 IIAAMO O=C(C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1c[nH]nc1-c1ccccc1 ZINC000043056839 556660736 /nfs/dbraw/zinc/66/07/36/556660736.db2.gz QHTNDVYCUBMJSZ-VWLOTQADSA-N 1 1 438.531 4.329 50 0 IIAAMO O=C(C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1c[nH]nc1-c1ccccc1 ZINC000043056839 556660740 /nfs/dbraw/zinc/66/07/40/556660740.db2.gz QHTNDVYCUBMJSZ-VWLOTQADSA-N 1 1 438.531 4.329 50 0 IIAAMO Cc1ccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000248114222 556665445 /nfs/dbraw/zinc/66/54/45/556665445.db2.gz IFCGKIDDASYPJS-LEAFIULHSA-N 1 1 428.624 4.371 50 0 IIAAMO O=C(CN1CCCCC1)Nc1ccc(-c2ccc(NC(=O)C[NH+]3CCCCC3)cc2)cc1 ZINC000000825328 556690032 /nfs/dbraw/zinc/69/00/32/556690032.db2.gz KXNSWQLXDOAIEB-UHFFFAOYSA-N 1 1 434.584 4.202 50 0 IIAAMO Cc1cccc(-n2cc(C[NH+]3CCN(c4ncccn4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000055245406 556738923 /nfs/dbraw/zinc/73/89/23/556738923.db2.gz RTANMXKQFQNBLY-UHFFFAOYSA-N 1 1 428.515 4.099 50 0 IIAAMO CC(C)c1nc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)cs1 ZINC000055310663 556740170 /nfs/dbraw/zinc/74/01/70/556740170.db2.gz GSDKCMWRUKEVLN-IBGZPJMESA-N 1 1 433.021 4.347 50 0 IIAAMO CCOc1cccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)c1 ZINC000019519998 556775569 /nfs/dbraw/zinc/77/55/69/556775569.db2.gz MYAKKSBTMLHVKS-FQEVSTJZSA-N 1 1 435.549 4.207 50 0 IIAAMO C[C@@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000058954914 556793282 /nfs/dbraw/zinc/79/32/82/556793282.db2.gz PKORKFLCUDXWMW-KBPBESRZSA-N 1 1 428.886 4.395 50 0 IIAAMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000059783958 556804444 /nfs/dbraw/zinc/80/44/44/556804444.db2.gz UMXYMTQYPLNAHJ-UHFFFAOYSA-N 1 1 449.595 4.325 50 0 IIAAMO Cc1ccc2occ(C[N@H+]3CCC(=O)N(Cc4ccccc4C(F)(F)F)CC3)c(=O)c2c1 ZINC000064031545 556822540 /nfs/dbraw/zinc/82/25/40/556822540.db2.gz XDMAGEIJFTXJCW-UHFFFAOYSA-N 1 1 444.453 4.355 50 0 IIAAMO Cc1ccc2occ(C[N@@H+]3CCC(=O)N(Cc4ccccc4C(F)(F)F)CC3)c(=O)c2c1 ZINC000064031545 556822541 /nfs/dbraw/zinc/82/25/41/556822541.db2.gz XDMAGEIJFTXJCW-UHFFFAOYSA-N 1 1 444.453 4.355 50 0 IIAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)NC1CCCCC1 ZINC000033069195 556839930 /nfs/dbraw/zinc/83/99/30/556839930.db2.gz KWBWQAYNHZRJCM-UHFFFAOYSA-N 1 1 428.964 4.394 50 0 IIAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)NC1CCCCC1 ZINC000033069195 556839934 /nfs/dbraw/zinc/83/99/34/556839934.db2.gz KWBWQAYNHZRJCM-UHFFFAOYSA-N 1 1 428.964 4.394 50 0 IIAAMO C[NH+]1CCC(Oc2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)CC1 ZINC000067621739 556844904 /nfs/dbraw/zinc/84/49/04/556844904.db2.gz OHBABWMYGLZQGN-UHFFFAOYSA-N 1 1 425.548 4.149 50 0 IIAAMO COCC[N@H+]1CC[C@@H](CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782222 556913808 /nfs/dbraw/zinc/91/38/08/556913808.db2.gz CATWROIRBRJIHY-NRFANRHFSA-N 1 1 436.575 4.387 50 0 IIAAMO COCCN1CC[C@@H](C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782222 556913819 /nfs/dbraw/zinc/91/38/19/556913819.db2.gz CATWROIRBRJIHY-NRFANRHFSA-N 1 1 436.575 4.387 50 0 IIAAMO COCCN1CC[C@@H](C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000019782222 556913822 /nfs/dbraw/zinc/91/38/22/556913822.db2.gz CATWROIRBRJIHY-NRFANRHFSA-N 1 1 436.575 4.387 50 0 IIAAMO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000019812756 556919535 /nfs/dbraw/zinc/91/95/35/556919535.db2.gz INALVJRNJFEHEZ-QFIPXVFZSA-N 1 1 425.596 4.383 50 0 IIAAMO Fc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000019812756 556919536 /nfs/dbraw/zinc/91/95/36/556919536.db2.gz INALVJRNJFEHEZ-QFIPXVFZSA-N 1 1 425.596 4.383 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]Cc2cn3cccnc3n2)cc1F ZINC000020149408 556990631 /nfs/dbraw/zinc/99/06/31/556990631.db2.gz CRNCTFCXGUIZGS-UHFFFAOYSA-N 1 1 442.498 4.328 50 0 IIAAMO CCCCc1nc2sc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020394939 557013393 /nfs/dbraw/zinc/01/33/93/557013393.db2.gz UDFBUBYUKZTQHT-UHFFFAOYSA-N 1 1 425.602 4.205 50 0 IIAAMO Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000048310282 557060570 /nfs/dbraw/zinc/06/05/70/557060570.db2.gz LALBCJBNDMVQEM-UHFFFAOYSA-N 1 1 434.471 4.434 50 0 IIAAMO O=C(c1ccccc1CSc1nc2ccccc2o1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023882022 557123135 /nfs/dbraw/zinc/12/31/35/557123135.db2.gz IGOMUGIHPVQMQI-LJQANCHMSA-N 1 1 437.565 4.057 50 0 IIAAMO Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)c2ccccc2)cc1 ZINC000023882911 557123422 /nfs/dbraw/zinc/12/34/22/557123422.db2.gz BSASNSHPHOUDSK-SANMLTNESA-N 1 1 429.564 4.297 50 0 IIAAMO Cc1ccc(NC(=O)[C@@H](NCc2ccccc2C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000023882911 557123425 /nfs/dbraw/zinc/12/34/25/557123425.db2.gz BSASNSHPHOUDSK-SANMLTNESA-N 1 1 429.564 4.297 50 0 IIAAMO CCNC(=O)N[C@H](CC)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006695781 557124824 /nfs/dbraw/zinc/12/48/24/557124824.db2.gz VKESGOSEXZWSNU-QPPBQGQZSA-N 1 1 425.573 4.209 50 0 IIAAMO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000024807741 557168336 /nfs/dbraw/zinc/16/83/36/557168336.db2.gz RLGZGEDOEGYGRA-KBPBESRZSA-N 1 1 447.366 4.469 50 0 IIAAMO O=C(C[N@H+](CCc1cccs1)Cc1cccs1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000024940650 557181451 /nfs/dbraw/zinc/18/14/51/557181451.db2.gz KCXFHJLPPCZKJV-UHFFFAOYSA-N 1 1 439.606 4.385 50 0 IIAAMO O=C(C[N@@H+](CCc1cccs1)Cc1cccs1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000024940650 557181456 /nfs/dbraw/zinc/18/14/56/557181456.db2.gz KCXFHJLPPCZKJV-UHFFFAOYSA-N 1 1 439.606 4.385 50 0 IIAAMO COc1cccc(CNc2nc(C)c(-c3ccn(C[C@@H]4CCC[N@@H+](C)C4)n3)s2)c1OC ZINC000014960801 557223683 /nfs/dbraw/zinc/22/36/83/557223683.db2.gz UTARLJHBZFAOSV-QGZVFWFLSA-N 1 1 441.601 4.286 50 0 IIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000604404221 557246959 /nfs/dbraw/zinc/24/69/59/557246959.db2.gz LTFKERNYDBQPSS-QFBILLFUSA-N 1 1 429.483 4.330 50 0 biogenic IIAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000102742332 557376626 /nfs/dbraw/zinc/37/66/26/557376626.db2.gz LETHRQGOKYTXCQ-RCXJIHSJSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)c1 ZINC000102742332 557376630 /nfs/dbraw/zinc/37/66/30/557376630.db2.gz LETHRQGOKYTXCQ-RCXJIHSJSA-N 1 1 438.568 4.319 50 0 IIAAMO CCn1c(C)cc(O)c([C@H](c2ccccc2Cl)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022822 557391246 /nfs/dbraw/zinc/39/12/46/557391246.db2.gz VAGXGNSLZXAILL-DEOSSOPVSA-N 1 1 437.971 4.447 50 0 IIAAMO O=C(NCc1cccc(F)c1)[C@@H]1Cc2ccccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104916215 557464866 /nfs/dbraw/zinc/46/48/66/557464866.db2.gz ZMINZEFTLSFHMP-XNMGPUDCSA-N 1 1 443.566 4.048 50 0 IIAAMO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@H](C)C(C)C)cc1 ZINC000104960438 557469469 /nfs/dbraw/zinc/46/94/69/557469469.db2.gz JYJXTTTUPQDWMQ-NQIIRXRSSA-N 1 1 429.561 4.029 50 0 IIAAMO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@H](C)C(C)C)cc1 ZINC000104960438 557469473 /nfs/dbraw/zinc/46/94/73/557469473.db2.gz JYJXTTTUPQDWMQ-NQIIRXRSSA-N 1 1 429.561 4.029 50 0 IIAAMO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)C(=O)Nc1ccccc1Sc1ccccc1)CC2 ZINC000106916168 557533653 /nfs/dbraw/zinc/53/36/53/557533653.db2.gz CWMJUDKHKGHCSU-YFXJRYMSSA-N 1 1 440.609 4.417 50 0 IIAAMO COC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000015001984 557844982 /nfs/dbraw/zinc/84/49/82/557844982.db2.gz DJILVIXJMJXAKT-DEOSSOPVSA-N 1 1 435.568 4.162 50 0 IIAAMO OC1(c2ccc(Br)cc2)CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000757885 562919141 /nfs/dbraw/zinc/91/91/41/562919141.db2.gz NJDHWGMGGLCFRC-UHFFFAOYSA-N 1 1 429.402 4.397 50 0 IIAAMO C[C@@H](NC(=O)c1cccs1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085997930 563179969 /nfs/dbraw/zinc/17/99/69/563179969.db2.gz RAGAQGITTWHNKI-XMSQKQJNSA-N 1 1 425.623 4.487 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983991 568622884 /nfs/dbraw/zinc/62/28/84/568622884.db2.gz RNKZCSCBXFLBRV-LEWJYISDSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983991 568622885 /nfs/dbraw/zinc/62/28/85/568622885.db2.gz RNKZCSCBXFLBRV-LEWJYISDSA-N 1 1 434.939 4.260 50 0 IIAAMO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2)C1 ZINC000104984322 568622966 /nfs/dbraw/zinc/62/29/66/568622966.db2.gz YFCYLQFKSYXUAZ-ILBGXUMGSA-N 1 1 430.548 4.430 50 0 IIAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983987 568623238 /nfs/dbraw/zinc/62/32/38/568623238.db2.gz RNKZCSCBXFLBRV-NHCUHLMSSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983987 568623240 /nfs/dbraw/zinc/62/32/40/568623240.db2.gz RNKZCSCBXFLBRV-NHCUHLMSSA-N 1 1 434.939 4.260 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982909 568624000 /nfs/dbraw/zinc/62/40/00/568624000.db2.gz OEUVVJJOOWYKOU-FGZHOGPDSA-N 1 1 434.939 4.260 50 0 IIAAMO COc1ccc(CNc2nc(C)c(-c3ccn(C[C@H]4CCC[N@@H+](C)C4)n3)s2)cc1OC ZINC000299786625 568757558 /nfs/dbraw/zinc/75/75/58/568757558.db2.gz WYGJDWSWRHBRPG-SFHVURJKSA-N 1 1 441.601 4.286 50 0 IIAAMO CCCCS[C@@H]1CCCC[C@H]1OC(=O)CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586686 568759501 /nfs/dbraw/zinc/75/95/01/568759501.db2.gz WXRHXRQJLTZHBC-YVNJGZBMSA-N 1 1 432.630 4.045 50 0 biogenic IIAAMO CCc1ccccc1NC(=O)CN(C)CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000083827757 568782587 /nfs/dbraw/zinc/78/25/87/568782587.db2.gz YQWXZRXHXOZJNE-FQEVSTJZSA-N 1 1 438.616 4.031 50 0 IIAAMO CCc1ccccc1NC(=O)CN(C)[C@@H](C)CC[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000083827757 568782589 /nfs/dbraw/zinc/78/25/89/568782589.db2.gz YQWXZRXHXOZJNE-FQEVSTJZSA-N 1 1 438.616 4.031 50 0 IIAAMO CCc1ccccc1NC(=O)CN(C)[C@@H](C)CC[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000083827757 568782590 /nfs/dbraw/zinc/78/25/90/568782590.db2.gz YQWXZRXHXOZJNE-FQEVSTJZSA-N 1 1 438.616 4.031 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676911 568804365 /nfs/dbraw/zinc/80/43/65/568804365.db2.gz NRVJICJTMGTXQJ-JOCHJYFZSA-N 1 1 447.627 4.475 50 0 IIAAMO C=Cc1c(C[N@H+](C)C[C@H](C)O)c2cc(Br)ccc2n1CCc1ccccn1 ZINC000085393409 568817240 /nfs/dbraw/zinc/81/72/40/568817240.db2.gz CNGBXLSRZRYWNY-INIZCTEOSA-N 1 1 428.374 4.497 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)cc1OC ZINC000036095997 568951663 /nfs/dbraw/zinc/95/16/63/568951663.db2.gz RMRCHRUAQZHTSP-NRFANRHFSA-N 1 1 429.488 4.016 50 0 IIAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)c1OC ZINC000036103761 568952839 /nfs/dbraw/zinc/95/28/39/568952839.db2.gz OCBWJBXRKQUSAA-DEOSSOPVSA-N 1 1 439.527 4.423 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)c1OC ZINC000036103761 568952841 /nfs/dbraw/zinc/95/28/41/568952841.db2.gz OCBWJBXRKQUSAA-DEOSSOPVSA-N 1 1 439.527 4.423 50 0 IIAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147201 568962490 /nfs/dbraw/zinc/96/24/90/568962490.db2.gz VFTFPNGXZFRIJO-UKILVPOCSA-N 1 1 434.511 4.261 50 0 IIAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147201 568962491 /nfs/dbraw/zinc/96/24/91/568962491.db2.gz VFTFPNGXZFRIJO-UKILVPOCSA-N 1 1 434.511 4.261 50 0 IIAAMO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677191 568989437 /nfs/dbraw/zinc/98/94/37/568989437.db2.gz UAIBOGHGWSUOOW-IRLDBZIGSA-N 1 1 449.492 4.232 50 0 IIAAMO O=C(NCCc1ccccc1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677784 568989631 /nfs/dbraw/zinc/98/96/31/568989631.db2.gz SMPKGLFKYJDAAJ-BDYUSTAISA-N 1 1 443.566 4.048 50 0 IIAAMO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000169678886 568990323 /nfs/dbraw/zinc/99/03/23/568990323.db2.gz CDVZHNAGNRTIEH-BJKOFHAPSA-N 1 1 428.532 4.337 50 0 IIAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COC(C)C)C2)cc1 ZINC000169679448 568991094 /nfs/dbraw/zinc/99/10/94/568991094.db2.gz UIFVZWRJBBORRM-FYYLOGMGSA-N 1 1 446.975 4.130 50 0 IIAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O ZINC000169681678 568992546 /nfs/dbraw/zinc/99/25/46/568992546.db2.gz DQMWZDUHGVKYEW-AUSIDOKSSA-N 1 1 444.641 4.469 50 0 IIAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303801 568994227 /nfs/dbraw/zinc/99/42/27/568994227.db2.gz JPCZBWIGXRBCEP-NRFANRHFSA-N 1 1 439.556 4.201 50 0 IIAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303801 568994229 /nfs/dbraw/zinc/99/42/29/568994229.db2.gz JPCZBWIGXRBCEP-NRFANRHFSA-N 1 1 439.556 4.201 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC ZINC000036304203 568994457 /nfs/dbraw/zinc/99/44/57/568994457.db2.gz KYEVRLVBVFJQAJ-FQEVSTJZSA-N 1 1 445.510 4.471 50 0 IIAAMO CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)CC1CC1 ZINC000036309512 568996129 /nfs/dbraw/zinc/99/61/29/568996129.db2.gz FKTPIQFLWJFSKO-OFNKIYASSA-N 1 1 442.625 4.044 50 0 IIAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036310798 568996904 /nfs/dbraw/zinc/99/69/04/568996904.db2.gz DNMYJZKMTWDWQR-NFBKMPQASA-N 1 1 426.605 4.104 50 0 IIAAMO CC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccs1 ZINC000036312123 568997624 /nfs/dbraw/zinc/99/76/24/568997624.db2.gz LWMDHWSWYLUELF-UHFFFAOYSA-N 1 1 442.560 4.345 50 0 IIAAMO CC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1 ZINC000036312126 568997652 /nfs/dbraw/zinc/99/76/52/568997652.db2.gz BAMURUILVHLGDT-UHFFFAOYSA-N 1 1 436.531 4.283 50 0 IIAAMO COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)Cc1ccccc1 ZINC000036313002 568998142 /nfs/dbraw/zinc/99/81/42/568998142.db2.gz OZVMLMBJPKQGPJ-HSZRJFAPSA-N 1 1 435.568 4.341 50 0 IIAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)Cc1ccccc1 ZINC000036312939 568998172 /nfs/dbraw/zinc/99/81/72/568998172.db2.gz UPOLCRHCCZTQSW-DEOSSOPVSA-N 1 1 449.595 4.384 50 0 IIAAMO CC[C@H](NC(=O)C1CC1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000006874753 569094802 /nfs/dbraw/zinc/09/48/02/569094802.db2.gz SDDFNQAYVDFAAH-URXFXBBRSA-N 1 1 426.532 4.247 50 0 IIAAMO CC[C@H](NC(=O)C1CC1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000006874753 569094804 /nfs/dbraw/zinc/09/48/04/569094804.db2.gz SDDFNQAYVDFAAH-URXFXBBRSA-N 1 1 426.532 4.247 50 0 IIAAMO CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+](C)C2CCCCC2)[C@@H]1c1cccs1 ZINC000006875502 569095123 /nfs/dbraw/zinc/09/51/23/569095123.db2.gz GCIJTONOPNGJLN-VXKWHMMOSA-N 1 1 425.598 4.039 50 0 IIAAMO COc1ccc(-c2nc(-c3ccc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)s3)no2)cc1 ZINC000065062899 569097222 /nfs/dbraw/zinc/09/72/22/569097222.db2.gz BXTQXHVAWLKLEN-MRXNPFEDSA-N 1 1 440.569 4.326 50 0 IIAAMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](Nc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)n1 ZINC000170618062 569146996 /nfs/dbraw/zinc/14/69/96/569146996.db2.gz DXBLWQXENKCUBD-QGZVFWFLSA-N 1 1 427.549 4.304 50 0 IIAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5CC(=O)CC[C@@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000253388616 569264264 /nfs/dbraw/zinc/26/42/64/569264264.db2.gz HIDAYMRWVVNXAO-SOTFTBONSA-N 1 1 427.629 4.095 50 0 biogenic IIAAMO CC[C@H]1C[N@H+](CCNC(=O)/C=C/c2nc3ccccc3s2)Cc2cc(OC)ccc2O1 ZINC000012079514 569265020 /nfs/dbraw/zinc/26/50/20/569265020.db2.gz ZQHRMISFEYQSCR-ZGKFYVQTSA-N 1 1 437.565 4.108 50 0 IIAAMO CC[C@H]1C[N@@H+](CCNC(=O)/C=C/c2nc3ccccc3s2)Cc2cc(OC)ccc2O1 ZINC000012079514 569265021 /nfs/dbraw/zinc/26/50/21/569265021.db2.gz ZQHRMISFEYQSCR-ZGKFYVQTSA-N 1 1 437.565 4.108 50 0 IIAAMO CCCC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)[C@@H](CC)c1ccccc1 ZINC000078813363 569319206 /nfs/dbraw/zinc/31/92/06/569319206.db2.gz AXXLKWGTASCSSH-DEOSSOPVSA-N 1 1 427.633 4.491 50 0 IIAAMO C[N@H+]1CCC[C@H](COC(=O)c2ccc(CNC(N)=O)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822680 569319426 /nfs/dbraw/zinc/31/94/26/569319426.db2.gz FDPGNVYSDLXEBN-QUCCMNQESA-N 1 1 449.473 4.114 50 0 IIAAMO Cc1csc(-c2cccc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)c2)n1 ZINC000078975302 569321161 /nfs/dbraw/zinc/32/11/61/569321161.db2.gz MGABPGKLWMHMHZ-IFMALSPDSA-N 1 1 436.581 4.123 50 0 IIAAMO NC(=O)[C@H]1CCC[C@H]1Nc1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000079063959 569324283 /nfs/dbraw/zinc/32/42/83/569324283.db2.gz IATODIXGVCSAKX-PKOBYXMFSA-N 1 1 435.597 4.410 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000020105253 569334292 /nfs/dbraw/zinc/33/42/92/569334292.db2.gz QFUPIPLZOFLCHW-IBGZPJMESA-N 1 1 441.645 4.064 50 0 IIAAMO Fc1ccccc1-c1ccc(C[NH+]2CCN([C@H]3CCN(CC(F)(F)F)C3)CC2)s1 ZINC000095457033 569368940 /nfs/dbraw/zinc/36/89/40/569368940.db2.gz ZKEHXZYESXMKOY-INIZCTEOSA-N 1 1 427.511 4.308 50 0 IIAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000096007056 569379425 /nfs/dbraw/zinc/37/94/25/569379425.db2.gz QQJLRDKXZYPOCO-HMXCVIKNSA-N 1 1 433.379 4.370 50 0 IIAAMO CC[NH+]1CCN(C(=O)Cn2c3cc(Cl)c(Cl)cc3nc2Cc2cccc(C)c2)CC1 ZINC000096287105 569390319 /nfs/dbraw/zinc/39/03/19/569390319.db2.gz SZBPTDABIGDSID-UHFFFAOYSA-N 1 1 445.394 4.406 50 0 IIAAMO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000230156846 569439645 /nfs/dbraw/zinc/43/96/45/569439645.db2.gz OAFCMBTWSKINQK-XCZPVHLTSA-N 1 1 436.559 4.343 50 0 biogenic IIAAMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2)cc1C ZINC000057997128 569444355 /nfs/dbraw/zinc/44/43/55/569444355.db2.gz BPXQWDFFCMMNMR-HXUWFJFHSA-N 1 1 443.613 4.099 50 0 IIAAMO CC[C@](C)(CNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)[NH+]1CCOCC1 ZINC000031929749 569458422 /nfs/dbraw/zinc/45/84/22/569458422.db2.gz DFTCTACDOGQDIN-XMMPIXPASA-N 1 1 446.975 4.158 50 0 IIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](c3nncn3C)C2)c(F)c1 ZINC000067833841 569472452 /nfs/dbraw/zinc/47/24/52/569472452.db2.gz KBGYUKYIDNUKJG-SFHVURJKSA-N 1 1 446.530 4.195 50 0 IIAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccn4-c4ccccn4)C3)C2)c1OC ZINC000015068492 569481952 /nfs/dbraw/zinc/48/19/52/569481952.db2.gz ZJWZURQEODWPDR-MHZLTWQESA-N 1 1 446.595 4.378 50 0 IIAAMO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccn4-c4ccccn4)C3)C2)c1OC ZINC000015068492 569481953 /nfs/dbraw/zinc/48/19/53/569481953.db2.gz ZJWZURQEODWPDR-MHZLTWQESA-N 1 1 446.595 4.378 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccn4-c4ccccn4)C3)C2)c1OC ZINC000015068492 569481954 /nfs/dbraw/zinc/48/19/54/569481954.db2.gz ZJWZURQEODWPDR-MHZLTWQESA-N 1 1 446.595 4.378 50 0 IIAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)C1CCCCC1 ZINC000008912756 569485142 /nfs/dbraw/zinc/48/51/42/569485142.db2.gz JDVBVWWRFHNWQC-SFHVURJKSA-N 1 1 444.645 4.296 50 0 IIAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)n1 ZINC000040149580 569492613 /nfs/dbraw/zinc/49/26/13/569492613.db2.gz GVNMHVVYSJLPOU-RPWUZVMVSA-N 1 1 445.563 4.147 50 0 IIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)Cc3cccc(OC)c3)cc2)cc1 ZINC000009170445 569509323 /nfs/dbraw/zinc/50/93/23/569509323.db2.gz BEQUKVRQFJREMM-UHFFFAOYSA-N 1 1 433.508 4.027 50 0 IIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)Cc3cccc(OC)c3)cc2)cc1 ZINC000009170445 569509324 /nfs/dbraw/zinc/50/93/24/569509324.db2.gz BEQUKVRQFJREMM-UHFFFAOYSA-N 1 1 433.508 4.027 50 0 IIAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009388948 569528603 /nfs/dbraw/zinc/52/86/03/569528603.db2.gz XKJKUQZMKYQRAX-KRWDZBQOSA-N 1 1 431.492 4.299 50 0 IIAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009388948 569528604 /nfs/dbraw/zinc/52/86/04/569528604.db2.gz XKJKUQZMKYQRAX-KRWDZBQOSA-N 1 1 431.492 4.299 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009714248 569562787 /nfs/dbraw/zinc/56/27/87/569562787.db2.gz MWVKQXIEFKXZEW-JOCHJYFZSA-N 1 1 433.577 4.496 50 0 IIAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009714248 569562788 /nfs/dbraw/zinc/56/27/88/569562788.db2.gz MWVKQXIEFKXZEW-JOCHJYFZSA-N 1 1 433.577 4.496 50 0 IIAAMO CC(C)Sc1ccc(CC(=O)N2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)cc1 ZINC000077159262 569585796 /nfs/dbraw/zinc/58/57/96/569585796.db2.gz FJJPCCVIIAMWJF-UHFFFAOYSA-N 1 1 448.636 4.438 50 0 IIAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000012440792 518422554 /nfs/dbraw/zinc/42/25/54/518422554.db2.gz GGGFUHBWIJFDNS-RUZDIDTESA-N 1 1 447.623 4.226 50 0 IIAAMO CC(C)[N@@H+](CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)Cc1ccccc1 ZINC000020925793 519643070 /nfs/dbraw/zinc/64/30/70/519643070.db2.gz ARLKGXDQHUOYFU-UHFFFAOYSA-N 1 1 439.531 4.414 50 0 IIAAMO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908038 519714740 /nfs/dbraw/zinc/71/47/40/519714740.db2.gz UAIBOGHGWSUOOW-IFMALSPDSA-N 1 1 449.492 4.232 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559174 520507505 /nfs/dbraw/zinc/50/75/05/520507505.db2.gz BJZOLRUXDPAJEX-OAQYLSRUSA-N 1 1 443.569 4.347 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559174 520507515 /nfs/dbraw/zinc/50/75/15/520507515.db2.gz BJZOLRUXDPAJEX-OAQYLSRUSA-N 1 1 443.569 4.347 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012901429 520509644 /nfs/dbraw/zinc/50/96/44/520509644.db2.gz DGWDNHUACNLQBT-OYHNWAKOSA-N 1 1 437.496 4.198 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012901429 520509652 /nfs/dbraw/zinc/50/96/52/520509652.db2.gz DGWDNHUACNLQBT-OYHNWAKOSA-N 1 1 437.496 4.198 50 0 IIAAMO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1OC ZINC000020774112 520697067 /nfs/dbraw/zinc/69/70/67/520697067.db2.gz JKLKPJRVNABPGT-QHCPKHFHSA-N 1 1 427.564 4.020 50 0 IIAAMO CCOc1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1OC ZINC000020774112 520697076 /nfs/dbraw/zinc/69/70/76/520697076.db2.gz JKLKPJRVNABPGT-QHCPKHFHSA-N 1 1 427.564 4.020 50 0 IIAAMO CC[NH+]1CCN([C@H](c2nnc(-c3ccccc3)o2)c2ccc(Br)cc2)CC1 ZINC000021777282 521695300 /nfs/dbraw/zinc/69/53/00/521695300.db2.gz YLWYGJKPFOBRAI-IBGZPJMESA-N 1 1 427.346 4.226 50 0 IIAAMO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000012552005 521700306 /nfs/dbraw/zinc/70/03/06/521700306.db2.gz SBLIZTHPZLLDSC-UHFFFAOYSA-N 1 1 447.910 4.302 50 0 IIAAMO C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C(c1ccccc1)c1ccccc1 ZINC000012923747 522455695 /nfs/dbraw/zinc/45/56/95/522455695.db2.gz BCGVNCNYVNOTFL-UHFFFAOYSA-N 1 1 445.519 4.217 50 0 IIAAMO C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C(c1ccccc1)c1ccccc1 ZINC000012923747 522455701 /nfs/dbraw/zinc/45/57/01/522455701.db2.gz BCGVNCNYVNOTFL-UHFFFAOYSA-N 1 1 445.519 4.217 50 0 IIAAMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012326048 523220350 /nfs/dbraw/zinc/22/03/50/523220350.db2.gz KPIQYQXKBIHFIB-QGZVFWFLSA-N 1 1 434.367 4.303 50 0 IIAAMO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cccc(C(C)=O)c3)CC2)c1 ZINC000011874337 523629400 /nfs/dbraw/zinc/62/94/00/523629400.db2.gz KKZAAGDFDWBDNF-UHFFFAOYSA-N 1 1 436.552 4.177 50 0 IIAAMO COc1ccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2)cc1 ZINC000036041024 523707649 /nfs/dbraw/zinc/70/76/49/523707649.db2.gz CGJSAXVESLDUNR-XMMPIXPASA-N 1 1 446.547 4.242 50 0 IIAAMO COc1ccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2)cc1 ZINC000036041024 523707659 /nfs/dbraw/zinc/70/76/59/523707659.db2.gz CGJSAXVESLDUNR-XMMPIXPASA-N 1 1 446.547 4.242 50 0 IIAAMO C[N@H+]1CCC[C@H](COC(=O)c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)(F)F)C1 ZINC000021792716 523843071 /nfs/dbraw/zinc/84/30/71/523843071.db2.gz HREWOCHOINHKFB-ZDUSSCGKSA-N 1 1 436.409 4.053 50 0 IIAAMO CCc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+]([C@@H](C)c2ccccc2)CC3)cc1 ZINC000020467797 523974150 /nfs/dbraw/zinc/97/41/50/523974150.db2.gz SXRMZFHVKYFOMZ-KRWDZBQOSA-N 1 1 448.592 4.182 50 0 IIAAMO COc1ccc(CN(CCC[NH+]2CCOCC2)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000020647404 524012565 /nfs/dbraw/zinc/01/25/65/524012565.db2.gz TXJRUQBISCIERE-UHFFFAOYSA-N 1 1 447.963 4.114 50 0 IIAAMO COc1ccccc1C(=O)N[C@H](C)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022784937 524354522 /nfs/dbraw/zinc/35/45/22/524354522.db2.gz NFSDPKKDKLLNMX-NLFFAJNJSA-N 1 1 449.620 4.434 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1F ZINC000022908287 525005106 /nfs/dbraw/zinc/00/51/06/525005106.db2.gz OQZPDKDJLLUQSK-NRFANRHFSA-N 1 1 437.540 4.050 50 0 IIAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1F ZINC000022908287 525005118 /nfs/dbraw/zinc/00/51/18/525005118.db2.gz OQZPDKDJLLUQSK-NRFANRHFSA-N 1 1 437.540 4.050 50 0 IIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000015452814 525250766 /nfs/dbraw/zinc/25/07/66/525250766.db2.gz UGGMDVUBGBRMPV-VWLOTQADSA-N 1 1 443.547 4.401 50 0 IIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000015452814 525250776 /nfs/dbraw/zinc/25/07/76/525250776.db2.gz UGGMDVUBGBRMPV-VWLOTQADSA-N 1 1 443.547 4.401 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012748199 525359678 /nfs/dbraw/zinc/35/96/78/525359678.db2.gz NCLRVETXJBFSPC-VWLOTQADSA-N 1 1 428.532 4.493 50 0 IIAAMO Cc1cc2oc(=O)c(CC(=O)N3CC[NH+](C)CC3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000020622554 525689791 /nfs/dbraw/zinc/68/97/91/525689791.db2.gz ONVNVFTYHLYGLV-UHFFFAOYSA-N 1 1 430.504 4.140 50 0 IIAAMO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)nn2)cc1 ZINC000035398134 525753070 /nfs/dbraw/zinc/75/30/70/525753070.db2.gz GNUUPLVMCPXHPM-QFIPXVFZSA-N 1 1 435.616 4.049 50 0 IIAAMO Cc1ccc(-c2csc3ncnc(N4CCC[N@@H+](CC(=O)NC(C)(C)C)CC4)c23)cc1 ZINC000012850438 525788415 /nfs/dbraw/zinc/78/84/15/525788415.db2.gz QUNVQRJCFZRAGT-UHFFFAOYSA-N 1 1 437.613 4.094 50 0 IIAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012878518 526168390 /nfs/dbraw/zinc/16/83/90/526168390.db2.gz PUHYOTJSEIQUBB-INIZCTEOSA-N 1 1 430.346 4.047 50 0 IIAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012878518 526168396 /nfs/dbraw/zinc/16/83/96/526168396.db2.gz PUHYOTJSEIQUBB-INIZCTEOSA-N 1 1 430.346 4.047 50 0 IIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=S)NC(=O)c1ccc(Br)cc1 ZINC000012623253 526193894 /nfs/dbraw/zinc/19/38/94/526193894.db2.gz PIZSXFVKTPLNGH-PKOBYXMFSA-N 1 1 444.398 4.080 50 0 IIAAMO COc1cccc(OC)c1CN1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000012281440 526221970 /nfs/dbraw/zinc/22/19/70/526221970.db2.gz IDPHSKHLOCLGCE-LJQANCHMSA-N 1 1 442.629 4.061 50 0 IIAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000058181380 526294693 /nfs/dbraw/zinc/29/46/93/526294693.db2.gz QXFFPRKZJYYTHB-UHFFFAOYSA-N 1 1 428.540 4.042 50 0 IIAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000022908222 526582447 /nfs/dbraw/zinc/58/24/47/526582447.db2.gz YXPOVGSSJQPOFD-HXUWFJFHSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000022908222 526582448 /nfs/dbraw/zinc/58/24/48/526582448.db2.gz YXPOVGSSJQPOFD-HXUWFJFHSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000035404017 526725198 /nfs/dbraw/zinc/72/51/98/526725198.db2.gz CUIQGUBUXXSVGZ-UHFFFAOYSA-N 1 1 440.591 4.443 50 0 IIAAMO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000035404017 526725202 /nfs/dbraw/zinc/72/52/02/526725202.db2.gz CUIQGUBUXXSVGZ-UHFFFAOYSA-N 1 1 440.591 4.443 50 0 IIAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000012307975 527434253 /nfs/dbraw/zinc/43/42/53/527434253.db2.gz YRSAQZQQNBTXLY-SFHVURJKSA-N 1 1 429.480 4.261 50 0 IIAAMO OCC[C@@H]1CN(Cc2nc(-c3ccc(F)cc3)cs2)CC[N@H+]1CCc1ccccc1 ZINC000020778386 527567445 /nfs/dbraw/zinc/56/74/45/527567445.db2.gz HDLXGJPWWXCULE-JOCHJYFZSA-N 1 1 425.573 4.061 50 0 IIAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000012437508 527665490 /nfs/dbraw/zinc/66/54/90/527665490.db2.gz RISXVZRKJJSZAW-UHFFFAOYSA-N 1 1 430.980 4.051 50 0 IIAAMO COc1ccccc1Oc1nc(N2CCCCC2)nc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000034755601 555900821 /nfs/dbraw/zinc/90/08/21/555900821.db2.gz AHGYDEKGXRAYPF-UHFFFAOYSA-N 1 1 431.540 4.221 50 0 IIAAMO COc1ccccc1Oc1nc(N2CCCCC2)nc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000034755601 555900823 /nfs/dbraw/zinc/90/08/23/555900823.db2.gz AHGYDEKGXRAYPF-UHFFFAOYSA-N 1 1 431.540 4.221 50 0 IIAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2)CC1 ZINC000034761688 555904088 /nfs/dbraw/zinc/90/40/88/555904088.db2.gz GXYDGDOWRHXYNN-JWGURIENSA-N 1 1 449.576 4.089 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)(C)C)[N@H+](Cc1ccccc1C)CC2 ZINC000034855670 555924339 /nfs/dbraw/zinc/92/43/39/555924339.db2.gz SIEKSUJOABXSER-OAQYLSRUSA-N 1 1 425.573 4.209 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)(C)C)[N@@H+](Cc1ccccc1C)CC2 ZINC000034855670 555924341 /nfs/dbraw/zinc/92/43/41/555924341.db2.gz SIEKSUJOABXSER-OAQYLSRUSA-N 1 1 425.573 4.209 50 0 IIAAMO COc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+](C)C4CCCCC4)CC3)sc2c1 ZINC000004757446 556009719 /nfs/dbraw/zinc/00/97/19/556009719.db2.gz YJFGMFGTIQXHEA-UHFFFAOYSA-N 1 1 444.645 4.292 50 0 IIAAMO CCc1ccc2nc(N3CCC(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)CC3)sc2c1 ZINC000004757411 556009857 /nfs/dbraw/zinc/00/98/57/556009857.db2.gz CZLSUZSWHWEXDJ-SFHVURJKSA-N 1 1 428.646 4.313 50 0 IIAAMO CC[C@@H](NC(=O)C(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000006874895 556107593 /nfs/dbraw/zinc/10/75/93/556107593.db2.gz ATGNGHHMCJVJNU-QPPBQGQZSA-N 1 1 428.548 4.493 50 0 IIAAMO CC[C@@H](NC(=O)C(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000006874895 556107600 /nfs/dbraw/zinc/10/76/00/556107600.db2.gz ATGNGHHMCJVJNU-QPPBQGQZSA-N 1 1 428.548 4.493 50 0 IIAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000013758447 556301171 /nfs/dbraw/zinc/30/11/71/556301171.db2.gz WTPLCNNGJKQFFS-LPPUWEFUSA-N 1 1 438.568 4.319 50 0 IIAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1OC ZINC000013758447 556301175 /nfs/dbraw/zinc/30/11/75/556301175.db2.gz WTPLCNNGJKQFFS-LPPUWEFUSA-N 1 1 438.568 4.319 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccoc2)CC3)c1 ZINC000011786819 556353847 /nfs/dbraw/zinc/35/38/47/556353847.db2.gz TXWFMULWQGCNJA-QFIPXVFZSA-N 1 1 435.572 4.063 50 0 IIAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccoc2)CC3)c1 ZINC000011786819 556353852 /nfs/dbraw/zinc/35/38/52/556353852.db2.gz TXWFMULWQGCNJA-QFIPXVFZSA-N 1 1 435.572 4.063 50 0 IIAAMO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[N@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)C[C@H](C)O1 ZINC000011817993 556360437 /nfs/dbraw/zinc/36/04/37/556360437.db2.gz IFIOJAIGUMFCMJ-BMCPXHGSSA-N 1 1 430.618 4.046 50 0 IIAAMO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000011819019 556361061 /nfs/dbraw/zinc/36/10/61/556361061.db2.gz KKYDDHTYRTXRNZ-GOSISDBHSA-N 1 1 429.008 4.322 50 0 IIAAMO CC(C)Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000011819019 556361062 /nfs/dbraw/zinc/36/10/62/556361062.db2.gz KKYDDHTYRTXRNZ-GOSISDBHSA-N 1 1 429.008 4.322 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 ZINC000011843103 556366310 /nfs/dbraw/zinc/36/63/10/556366310.db2.gz VZGCQNMMVPAGLU-IBGZPJMESA-N 1 1 426.557 4.021 50 0 IIAAMO COc1cc(OC)c(OC)cc1CN(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011843239 556366384 /nfs/dbraw/zinc/36/63/84/556366384.db2.gz OKCRNVPJYIMWSF-IBGZPJMESA-N 1 1 430.564 4.238 50 0 IIAAMO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC000011879332 556371707 /nfs/dbraw/zinc/37/17/07/556371707.db2.gz XQRXCPFAHXFYFO-UHFFFAOYSA-N 1 1 430.495 4.253 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4csc(C(C)C)n4)C3)C2)c1OC ZINC000011954054 556380673 /nfs/dbraw/zinc/38/06/73/556380673.db2.gz NIBBKQKNCNGHQP-XMMPIXPASA-N 1 1 443.613 4.412 50 0 IIAAMO CC(=O)Nc1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c1 ZINC000012056844 556394444 /nfs/dbraw/zinc/39/44/44/556394444.db2.gz WSEHLDBPOUTHGM-FQEVSTJZSA-N 1 1 427.976 4.325 50 0 IIAAMO CN(Cc1nc2ccccc2o1)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012075748 556397466 /nfs/dbraw/zinc/39/74/66/556397466.db2.gz CZPJYBSAINTFTI-QFIPXVFZSA-N 1 1 437.584 4.464 50 0 IIAAMO COc1ccccc1[C@H](C)NC(=O)C[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000014247207 556407103 /nfs/dbraw/zinc/40/71/03/556407103.db2.gz MLHULPVBZUFKOK-HNNXBMFYSA-N 1 1 434.483 4.147 50 0 IIAAMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000014247207 556407106 /nfs/dbraw/zinc/40/71/06/556407106.db2.gz MLHULPVBZUFKOK-HNNXBMFYSA-N 1 1 434.483 4.147 50 0 IIAAMO COc1ccc(-c2csc(NC(=O)c3ccc(C[N@@H+]4CCO[C@@H](C)C4)cc3)n2)cc1F ZINC000032824680 556410106 /nfs/dbraw/zinc/41/01/06/556410106.db2.gz YUCALNAXTHEUGJ-HNNXBMFYSA-N 1 1 441.528 4.431 50 0 IIAAMO COc1ccc(-c2csc(NC(=O)c3ccc(C[N@H+]4CCO[C@@H](C)C4)cc3)n2)cc1F ZINC000032824680 556410109 /nfs/dbraw/zinc/41/01/09/556410109.db2.gz YUCALNAXTHEUGJ-HNNXBMFYSA-N 1 1 441.528 4.431 50 0 IIAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@@H+](Cc3ccccc3)C2)cn1 ZINC000014743960 556440020 /nfs/dbraw/zinc/44/00/20/556440020.db2.gz SMRYTRVGSMCRQV-IZZNHLLZSA-N 1 1 443.591 4.266 50 0 IIAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCCC2)C1 ZINC000014969726 556466811 /nfs/dbraw/zinc/46/68/11/556466811.db2.gz HIHWBVSTWFUZIB-LJQANCHMSA-N 1 1 436.552 4.315 50 0 IIAAMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000072289416 556485226 /nfs/dbraw/zinc/48/52/26/556485226.db2.gz USNZDECHRMSVRC-QHCPKHFHSA-N 1 1 434.584 4.173 50 0 IIAAMO O=C(CCC(=O)c1ccc(Br)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029939310 556486877 /nfs/dbraw/zinc/48/68/77/556486877.db2.gz GQHPNEFFCPLCNX-GOSISDBHSA-N 1 1 433.346 4.348 50 0 IIAAMO C[N@@H+]1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000030030517 556489890 /nfs/dbraw/zinc/48/98/90/556489890.db2.gz DPTNYQQNAQPNNS-VWLOTQADSA-N 1 1 440.547 4.131 50 0 IIAAMO C[N@H+]1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000030030517 556489892 /nfs/dbraw/zinc/48/98/92/556489892.db2.gz DPTNYQQNAQPNNS-VWLOTQADSA-N 1 1 440.547 4.131 50 0 IIAAMO COC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000015068129 556493914 /nfs/dbraw/zinc/49/39/14/556493914.db2.gz KIVLDCJOCHPCRW-LJQANCHMSA-N 1 1 428.960 4.153 50 0 IIAAMO O=C(CCc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000030450209 556494717 /nfs/dbraw/zinc/49/47/17/556494717.db2.gz REDOXFDSPOPLNL-UHFFFAOYSA-N 1 1 434.561 4.421 50 0 IIAAMO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000013165246 556498324 /nfs/dbraw/zinc/49/83/24/556498324.db2.gz WDPJJLNBXQZAJY-RUZDIDTESA-N 1 1 433.527 4.128 50 0 IIAAMO O=C(Nc1ccc(F)cc1)[C@H](NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000013165246 556498326 /nfs/dbraw/zinc/49/83/26/556498326.db2.gz WDPJJLNBXQZAJY-RUZDIDTESA-N 1 1 433.527 4.128 50 0 IIAAMO C[C@@H](NC(=O)[C@@H](C)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000072305625 556556122 /nfs/dbraw/zinc/55/61/22/556556122.db2.gz YADUISYPQPXAMR-IAGOWNOFSA-N 1 1 442.431 4.136 50 0 IIAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c(Cl)c1 ZINC000033326826 556561587 /nfs/dbraw/zinc/56/15/87/556561587.db2.gz FGGKNJSHFXTHTH-UHFFFAOYSA-N 1 1 428.968 4.091 50 0 IIAAMO Cc1nnc(CN(C)c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)[nH]1 ZINC000072307708 556562190 /nfs/dbraw/zinc/56/21/90/556562190.db2.gz SAGQHAOPASHJLL-UHFFFAOYSA-N 1 1 433.585 4.407 50 0 IIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccccc2)cc1 ZINC000015974693 556570363 /nfs/dbraw/zinc/57/03/63/556570363.db2.gz CIGDVKXVINJUGT-LIONHTAISA-N 1 1 449.510 4.149 50 0 IIAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccccc2)cc1 ZINC000015974693 556570366 /nfs/dbraw/zinc/57/03/66/556570366.db2.gz CIGDVKXVINJUGT-LIONHTAISA-N 1 1 449.510 4.149 50 0 IIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000016009885 556573641 /nfs/dbraw/zinc/57/36/41/556573641.db2.gz CNEAOBOAPPBZSD-GKBBYZSKSA-N 1 1 438.568 4.324 50 0 IIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)ccc1O ZINC000016009885 556573643 /nfs/dbraw/zinc/57/36/43/556573643.db2.gz CNEAOBOAPPBZSD-GKBBYZSKSA-N 1 1 438.568 4.324 50 0 IIAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3sc(-c4ccc(C)o4)nc3C)CC2)cc1 ZINC000032963919 556583426 /nfs/dbraw/zinc/58/34/26/556583426.db2.gz MKWKBABUONYALV-UHFFFAOYSA-N 1 1 425.554 4.377 50 0 IIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3sc(-c4ccc(C)o4)nc3C)CC2)cc1 ZINC000032963919 556583428 /nfs/dbraw/zinc/58/34/28/556583428.db2.gz MKWKBABUONYALV-UHFFFAOYSA-N 1 1 425.554 4.377 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](C)N(CC[N@H+]1CCc3cc(OC)c(OC)cc3[C@H]1C)CC2 ZINC000239377978 556583524 /nfs/dbraw/zinc/58/35/24/556583524.db2.gz OIOVENDQAWCFQH-QZTJIDSGSA-N 1 1 440.584 4.259 50 0 biogenic IIAAMO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3ccccc3Cl)C[C@H](O)COC(C)C)C2)cc1 ZINC000036145833 556593840 /nfs/dbraw/zinc/59/38/40/556593840.db2.gz SWPUKSPWBIQSAW-UNMCSNQZSA-N 1 1 446.975 4.130 50 0 IIAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3ccccc3Cl)C[C@H](O)COC(C)C)C2)cc1 ZINC000036145833 556593841 /nfs/dbraw/zinc/59/38/41/556593841.db2.gz SWPUKSPWBIQSAW-UNMCSNQZSA-N 1 1 446.975 4.130 50 0 IIAAMO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000016590139 556616741 /nfs/dbraw/zinc/61/67/41/556616741.db2.gz BXIUDOZFXBCYEA-UHFFFAOYSA-N 1 1 434.414 4.075 50 0 IIAAMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000016590139 556616743 /nfs/dbraw/zinc/61/67/43/556616743.db2.gz BXIUDOZFXBCYEA-UHFFFAOYSA-N 1 1 434.414 4.075 50 0 IIAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000055270927 556739481 /nfs/dbraw/zinc/73/94/81/556739481.db2.gz ZIQFQWRGQZGSLS-UHFFFAOYSA-N 1 1 446.505 4.238 50 0 IIAAMO NC(=O)c1c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)sc2c1CCCC2 ZINC000058173838 556768877 /nfs/dbraw/zinc/76/88/77/556768877.db2.gz OOLQSZDGJNLICA-FQEVSTJZSA-N 1 1 425.579 4.105 50 0 IIAAMO COc1ccc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)c(F)c1 ZINC000067694720 556846045 /nfs/dbraw/zinc/84/60/45/556846045.db2.gz FYVPNPLNLMBAES-UHFFFAOYSA-N 1 1 449.526 4.203 50 0 IIAAMO CC(C)CCn1c(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nc2cccnc21 ZINC000033072358 556852285 /nfs/dbraw/zinc/85/22/85/556852285.db2.gz OWQOERYAKKPPEF-UHFFFAOYSA-N 1 1 433.600 4.145 50 0 IIAAMO COc1ccc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019849739 556930446 /nfs/dbraw/zinc/93/04/46/556930446.db2.gz OTALUNUYQDVURD-OAQYLSRUSA-N 1 1 430.548 4.396 50 0 IIAAMO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCC[N@H+]2CCCC[C@H]2CC)c1C ZINC000020356104 557010324 /nfs/dbraw/zinc/01/03/24/557010324.db2.gz GBPHNLAERCYAQR-JOCHJYFZSA-N 1 1 439.600 4.329 50 0 IIAAMO O[C@H](CSc1ccc(F)cc1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000020405995 557013770 /nfs/dbraw/zinc/01/37/70/557013770.db2.gz KOPLFTIFAQLYGS-INIZCTEOSA-N 1 1 437.993 4.364 50 0 IIAAMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000048235259 557017243 /nfs/dbraw/zinc/01/72/43/557017243.db2.gz OVIMEPFOKPMGPG-ICSRJNTNSA-N 1 1 439.581 4.090 50 0 IIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCc3cc(F)cc(F)c3)[nH]c(=O)c2C1 ZINC000033287274 557064321 /nfs/dbraw/zinc/06/43/21/557064321.db2.gz BZVSXTVOMGKQNG-UHFFFAOYSA-N 1 1 429.492 4.320 50 0 IIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCc3cc(F)cc(F)c3)[nH]c(=O)c2C1 ZINC000033287274 557064323 /nfs/dbraw/zinc/06/43/23/557064323.db2.gz BZVSXTVOMGKQNG-UHFFFAOYSA-N 1 1 429.492 4.320 50 0 IIAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)N(CCO)Cc1ccccc1 ZINC000023128810 557065950 /nfs/dbraw/zinc/06/59/50/557065950.db2.gz DMHKJYBCGLXXJY-SANMLTNESA-N 1 1 448.538 4.173 50 0 IIAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000024527855 557150200 /nfs/dbraw/zinc/15/02/00/557150200.db2.gz SGAHXCCMLDAQRT-UHFFFAOYSA-N 1 1 429.564 4.431 50 0 IIAAMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027481128 557262807 /nfs/dbraw/zinc/26/28/07/557262807.db2.gz HVUAHZQQSBUDOF-INIZCTEOSA-N 1 1 443.473 4.188 50 0 IIAAMO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000027481128 557262810 /nfs/dbraw/zinc/26/28/10/557262810.db2.gz HVUAHZQQSBUDOF-INIZCTEOSA-N 1 1 443.473 4.188 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[NH+]1CCCCCC1 ZINC000014066261 557295140 /nfs/dbraw/zinc/29/51/40/557295140.db2.gz GDXMZRQETLJCOE-UHFFFAOYSA-N 1 1 446.569 4.424 50 0 IIAAMO Cc1cc(C)cc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000033277321 557329203 /nfs/dbraw/zinc/32/92/03/557329203.db2.gz ZEQQAESHGBHAEV-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO Cc1cc(C)cc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000033277321 557329207 /nfs/dbraw/zinc/32/92/07/557329207.db2.gz ZEQQAESHGBHAEV-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO COC(=O)c1ccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000023330326 557341218 /nfs/dbraw/zinc/34/12/18/557341218.db2.gz UBGOFCDSJDUWOV-VWLOTQADSA-N 1 1 428.532 4.329 50 0 IIAAMO C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000061162179 557421072 /nfs/dbraw/zinc/42/10/72/557421072.db2.gz FFKXJTWHUHCRMV-OAQYLSRUSA-N 1 1 443.591 4.230 50 0 IIAAMO C[N@@H+](CCCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000045861791 557545877 /nfs/dbraw/zinc/54/58/77/557545877.db2.gz SEIALAUEUGMJGT-VWLOTQADSA-N 1 1 429.564 4.186 50 0 IIAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009671705 562975195 /nfs/dbraw/zinc/97/51/95/562975195.db2.gz GNMKMTONYMLWAC-LJQANCHMSA-N 1 1 447.626 4.007 50 0 IIAAMO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009671705 562975198 /nfs/dbraw/zinc/97/51/98/562975198.db2.gz GNMKMTONYMLWAC-LJQANCHMSA-N 1 1 447.626 4.007 50 0 IIAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000058085781 563143362 /nfs/dbraw/zinc/14/33/62/563143362.db2.gz QQHOVWIRORFMSP-VXKWHMMOSA-N 1 1 448.032 4.060 50 0 IIAAMO Cc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COC(C)C)C2)cc1 ZINC000104985085 568623611 /nfs/dbraw/zinc/62/36/11/568623611.db2.gz QVHFCVVXVMGGMB-DHIUTWEWSA-N 1 1 430.976 4.430 50 0 IIAAMO CCN(CC)P(=[NH+]C(=S)[N-]CC[NH+](CC)CC)(c1ccccc1)N(CC)CC ZINC000005824754 568737588 /nfs/dbraw/zinc/73/75/88/568737588.db2.gz VYMWXJDUCSBLGL-UHFFFAOYSA-N 1 1 425.627 4.243 50 0 IIAAMO CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000063510787 568740416 /nfs/dbraw/zinc/74/04/16/568740416.db2.gz GRNQZDWHNFCKSF-KNQAVFIVSA-N 1 1 445.554 4.104 50 0 IIAAMO Cc1nn(C)c(C)c1[C@@H](C)[N@@H+](C)Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O ZINC000299778588 568756998 /nfs/dbraw/zinc/75/69/98/568756998.db2.gz QNBFCKGEDVOHHG-QGZVFWFLSA-N 1 1 433.531 4.127 50 0 IIAAMO O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000263588827 568761119 /nfs/dbraw/zinc/76/11/19/568761119.db2.gz YXWCMLXBCBFFNS-MHZLTWQESA-N 1 1 438.575 4.403 50 0 IIAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000015452815 568781744 /nfs/dbraw/zinc/78/17/44/568781744.db2.gz UGGMDVUBGBRMPV-RUZDIDTESA-N 1 1 443.547 4.401 50 0 IIAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000015452815 568781745 /nfs/dbraw/zinc/78/17/45/568781745.db2.gz UGGMDVUBGBRMPV-RUZDIDTESA-N 1 1 443.547 4.401 50 0 IIAAMO Cc1c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000004583391 568783906 /nfs/dbraw/zinc/78/39/06/568783906.db2.gz NYJNQBYPJVLNRV-UHFFFAOYSA-N 1 1 440.547 4.125 50 0 IIAAMO CCOC(=O)C1CC[NH+](Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)OC)CC1 ZINC000015487485 568791871 /nfs/dbraw/zinc/79/18/71/568791871.db2.gz ZKJMOLMXVWFTCJ-UHFFFAOYSA-N 1 1 432.520 4.464 50 0 IIAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000242155966 568912608 /nfs/dbraw/zinc/91/26/08/568912608.db2.gz WUTQVQAYZPSBJV-SPLOXXLWSA-N 1 1 445.922 4.234 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000242155966 568912609 /nfs/dbraw/zinc/91/26/09/568912609.db2.gz WUTQVQAYZPSBJV-SPLOXXLWSA-N 1 1 445.922 4.234 50 0 IIAAMO CCNC(=O)N[C@H](CC)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C)cc1 ZINC000006695783 568952414 /nfs/dbraw/zinc/95/24/14/568952414.db2.gz VKESGOSEXZWSNU-ZJSXRUAMSA-N 1 1 425.573 4.209 50 0 IIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036102378 568952641 /nfs/dbraw/zinc/95/26/41/568952641.db2.gz GHKGVZMACIBCFG-JOCHJYFZSA-N 1 1 425.500 4.285 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146333 568962565 /nfs/dbraw/zinc/96/25/65/568962565.db2.gz OJLKOOAHACFCBL-GMAHTHKFSA-N 1 1 446.975 4.130 50 0 IIAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146403 568962768 /nfs/dbraw/zinc/96/27/68/568962768.db2.gz ZQMAYWBZQOTNKG-VXKWHMMOSA-N 1 1 432.511 4.136 50 0 IIAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206515 568973080 /nfs/dbraw/zinc/97/30/80/568973080.db2.gz UWXCHRGKUJXNFD-SFHVURJKSA-N 1 1 443.613 4.265 50 0 IIAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](C[C@H](O)COC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206515 568973083 /nfs/dbraw/zinc/97/30/83/568973083.db2.gz UWXCHRGKUJXNFD-SFHVURJKSA-N 1 1 443.613 4.265 50 0 IIAAMO Cc1sc2nc(C[N@H+](CCC(C)C)C[C@@H](O)COc3ccccc3C)[nH]c(=O)c2c1C ZINC000036207050 568973191 /nfs/dbraw/zinc/97/31/91/568973191.db2.gz WIQWRRYJUUDQLX-LJQANCHMSA-N 1 1 443.613 4.198 50 0 IIAAMO Cc1sc2nc(C[N@@H+](CCC(C)C)C[C@@H](O)COc3ccccc3C)[nH]c(=O)c2c1C ZINC000036207050 568973192 /nfs/dbraw/zinc/97/31/92/568973192.db2.gz WIQWRRYJUUDQLX-LJQANCHMSA-N 1 1 443.613 4.198 50 0 IIAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](CCC(C)C)C[C@@H](C)O)cc1 ZINC000036309168 568995964 /nfs/dbraw/zinc/99/59/64/568995964.db2.gz UFQXTZFKTJRBJN-OFNKIYASSA-N 1 1 444.641 4.290 50 0 IIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC ZINC000036346612 569081316 /nfs/dbraw/zinc/08/13/16/569081316.db2.gz VNXVZEIYYQESOH-HXUWFJFHSA-N 1 1 445.510 4.471 50 0 IIAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346646 569081435 /nfs/dbraw/zinc/08/14/35/569081435.db2.gz CFNGMVSIQILMIM-OAQYLSRUSA-N 1 1 445.510 4.469 50 0 IIAAMO C[N@@H+]1CCN(C(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)[C@@H](c2ccccc2)C1 ZINC000065025741 569090746 /nfs/dbraw/zinc/09/07/46/569090746.db2.gz HKCGJIZYJKRPFJ-RUZDIDTESA-N 1 1 441.579 4.263 50 0 IIAAMO C[N@H+]1CCN(C(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)[C@@H](c2ccccc2)C1 ZINC000065025741 569090747 /nfs/dbraw/zinc/09/07/47/569090747.db2.gz HKCGJIZYJKRPFJ-RUZDIDTESA-N 1 1 441.579 4.263 50 0 IIAAMO CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@@H+](C)C2CCCCC2)[C@H]1c1cccs1 ZINC000006875496 569095089 /nfs/dbraw/zinc/09/50/89/569095089.db2.gz GCIJTONOPNGJLN-FGZHOGPDSA-N 1 1 425.598 4.039 50 0 IIAAMO Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000065136018 569110253 /nfs/dbraw/zinc/11/02/53/569110253.db2.gz KBXGOIXZCDMBJN-UHFFFAOYSA-N 1 1 430.552 4.096 50 0 IIAAMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000071821258 569154678 /nfs/dbraw/zinc/15/46/78/569154678.db2.gz DRKAKMJVLQGWLH-UHFFFAOYSA-N 1 1 438.531 4.059 50 0 IIAAMO COc1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662034 569160827 /nfs/dbraw/zinc/16/08/27/569160827.db2.gz RTPFTTKFXSIMNB-WOJBJXKFSA-N 1 1 442.560 4.499 50 0 IIAAMO COc1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)n2)c1 ZINC000089662034 569160828 /nfs/dbraw/zinc/16/08/28/569160828.db2.gz RTPFTTKFXSIMNB-WOJBJXKFSA-N 1 1 442.560 4.499 50 0 IIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1)Nc1cccc(F)c1 ZINC000089779333 569162777 /nfs/dbraw/zinc/16/27/77/569162777.db2.gz BYCCIOMJJFAVHW-RDPSFJRHSA-N 1 1 441.547 4.417 50 0 IIAAMO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2c(Cl)cccc2N2CCOCC2)C3)n1 ZINC000253424465 569267088 /nfs/dbraw/zinc/26/70/88/569267088.db2.gz GNCQLAOMLJXSPD-UZUQRXQVSA-N 1 1 430.980 4.237 50 0 IIAAMO O=C(c1cn(C2CCCCC2)nn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020202193 569355931 /nfs/dbraw/zinc/35/59/31/569355931.db2.gz GPOSZVRDGFTKIN-UHFFFAOYSA-N 1 1 429.568 4.331 50 0 IIAAMO Cc1ccc(NC(=O)N2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)cc1Cl ZINC000095353024 569362154 /nfs/dbraw/zinc/36/21/54/569362154.db2.gz AIPXFBBORSONOK-UHFFFAOYSA-N 1 1 439.947 4.481 50 0 IIAAMO CCN(C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095942634 569375557 /nfs/dbraw/zinc/37/55/57/569375557.db2.gz ALGDMLUEZYZRDO-XJUOHMSHSA-N 1 1 436.600 4.429 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)C1 ZINC000230073834 569433318 /nfs/dbraw/zinc/43/33/18/569433318.db2.gz MMXTVPSXLXVUFL-WKZKVMAPSA-N 1 1 439.625 4.143 50 0 IIAAMO COc1ccc(-n2cc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c3ccccc3c2=O)cc1 ZINC000009433775 569534639 /nfs/dbraw/zinc/53/46/39/569534639.db2.gz BRGMGFYTKQVUMD-BGYRXZFFSA-N 1 1 447.579 4.382 50 0 IIAAMO COc1ccccc1[C@H](CNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)[NH+](C)C ZINC000009591338 569550200 /nfs/dbraw/zinc/55/02/00/569550200.db2.gz SBMSMRWJGGCERF-FQEVSTJZSA-N 1 1 440.975 4.243 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009672036 132325070 /nfs/dbraw/zinc/32/50/70/132325070.db2.gz SLOLWRGQNIOMKW-SFHVURJKSA-N 1 1 439.503 4.379 50 0 IIAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009672036 132325071 /nfs/dbraw/zinc/32/50/71/132325071.db2.gz SLOLWRGQNIOMKW-SFHVURJKSA-N 1 1 439.503 4.379 50 0 IIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000010311066 132335473 /nfs/dbraw/zinc/33/54/73/132335473.db2.gz MTDZLNJZSPUQQS-HXUWFJFHSA-N 1 1 433.474 4.318 50 0 IIAAMO CC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000021796795 519594142 /nfs/dbraw/zinc/59/41/42/519594142.db2.gz URPMFICOCFLXCQ-UHFFFAOYSA-N 1 1 431.927 4.409 50 0 IIAAMO CC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000021796419 519595063 /nfs/dbraw/zinc/59/50/63/519595063.db2.gz PKXAQYUUOIHTHM-UHFFFAOYSA-N 1 1 431.927 4.409 50 0 IIAAMO CC(C)[N@@H+](CCCNC(=O)COCc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000021528176 519643222 /nfs/dbraw/zinc/64/32/22/519643222.db2.gz DVRGIJRGMOKUQO-UHFFFAOYSA-N 1 1 427.570 4.337 50 0 IIAAMO CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908039 519716553 /nfs/dbraw/zinc/71/65/53/519716553.db2.gz UAIBOGHGWSUOOW-RBBKRZOGSA-N 1 1 449.492 4.232 50 0 IIAAMO CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000014950687 520463490 /nfs/dbraw/zinc/46/34/90/520463490.db2.gz YQLMGNCOBYCJTA-HXUWFJFHSA-N 1 1 434.646 4.448 50 0 IIAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560318 520510912 /nfs/dbraw/zinc/51/09/12/520510912.db2.gz CFYSQFVGGMADQS-XUZZJYLKSA-N 1 1 433.552 4.046 50 0 IIAAMO CC[NH+](CC)[C@H](CNC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccco1 ZINC000021463544 520862852 /nfs/dbraw/zinc/86/28/52/520862852.db2.gz VEPWEKORIRYGLE-MRXNPFEDSA-N 1 1 433.965 4.010 50 0 IIAAMO CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2c(OC)cccc2OC)C[C@@]1(C)CO ZINC000012760764 521730260 /nfs/dbraw/zinc/73/02/60/521730260.db2.gz MNNQNCHEJVAVJS-DKLXNKCPSA-N 1 1 432.992 4.281 50 0 IIAAMO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2c(OC)cccc2OC)C[C@@]1(C)CO ZINC000012760764 521730261 /nfs/dbraw/zinc/73/02/61/521730261.db2.gz MNNQNCHEJVAVJS-DKLXNKCPSA-N 1 1 432.992 4.281 50 0 IIAAMO COc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc2c1OCCO2 ZINC000021902670 522083020 /nfs/dbraw/zinc/08/30/20/522083020.db2.gz AVIJKSVTVDBMFV-UHFFFAOYSA-N 1 1 444.531 4.014 50 0 IIAAMO C[N@@H+](CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CCCc2ccccc21 ZINC000022062467 522498925 /nfs/dbraw/zinc/49/89/25/522498925.db2.gz FBMFIILDYXNFBY-SFHVURJKSA-N 1 1 431.330 4.168 50 0 IIAAMO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012770525 522677533 /nfs/dbraw/zinc/67/75/33/522677533.db2.gz ZQUQWCHXEJAJAH-UHFFFAOYSA-N 1 1 431.817 4.397 50 0 IIAAMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012770525 522677541 /nfs/dbraw/zinc/67/75/41/522677541.db2.gz ZQUQWCHXEJAJAH-UHFFFAOYSA-N 1 1 431.817 4.397 50 0 IIAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)COc1ccccc1 ZINC000012093595 523115709 /nfs/dbraw/zinc/11/57/09/523115709.db2.gz WYECCYRQQDGJDD-HXUWFJFHSA-N 1 1 434.502 4.497 50 0 IIAAMO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022908199 523968203 /nfs/dbraw/zinc/96/82/03/523968203.db2.gz XGZSMWKCUSZKPX-QFIPXVFZSA-N 1 1 433.577 4.165 50 0 IIAAMO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022908199 523968210 /nfs/dbraw/zinc/96/82/10/523968210.db2.gz XGZSMWKCUSZKPX-QFIPXVFZSA-N 1 1 433.577 4.165 50 0 IIAAMO COc1ccc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012596850 524007084 /nfs/dbraw/zinc/00/70/84/524007084.db2.gz GMOKQICMMRSOGF-QFIPXVFZSA-N 1 1 443.563 4.028 50 0 IIAAMO COc1ccc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012596850 524007085 /nfs/dbraw/zinc/00/70/85/524007085.db2.gz GMOKQICMMRSOGF-QFIPXVFZSA-N 1 1 443.563 4.028 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000012592360 524047918 /nfs/dbraw/zinc/04/79/18/524047918.db2.gz ISNNLAQADRSGQO-KRWDZBQOSA-N 1 1 432.511 4.291 50 0 IIAAMO COc1ccc(CNCc2ccc(C)s2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012432585 524073061 /nfs/dbraw/zinc/07/30/61/524073061.db2.gz OZCLIJAFVZDEHS-NRFANRHFSA-N 1 1 432.630 4.361 50 0 IIAAMO Cc1ccc(CCC(=O)N2CCOc3ccc(C[N@@H+](C)CCc4ccccn4)cc3C2)cc1 ZINC000012155397 524288685 /nfs/dbraw/zinc/28/86/85/524288685.db2.gz YYOZQBSYFHWDPC-UHFFFAOYSA-N 1 1 443.591 4.418 50 0 IIAAMO Cc1ccc(CN2C[C@@H]3C[C@@H](c4c(C)cc(C)cc4-n4cccn4)[N@H+]4CCC[C@@]34C2=O)o1 ZINC000012297201 524479803 /nfs/dbraw/zinc/47/98/03/524479803.db2.gz UPXKUFZRRIMPJZ-YBXDKENTSA-N 1 1 430.552 4.329 50 0 IIAAMO Cc1cccn2c(C[N@H+]3CCCC[C@@H]3CCCO)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012317855 525462964 /nfs/dbraw/zinc/46/29/64/525462964.db2.gz PIYZFFDZVRUDKU-HSZRJFAPSA-N 1 1 448.611 4.084 50 0 IIAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000012678941 525526371 /nfs/dbraw/zinc/52/63/71/525526371.db2.gz IVHPJMXMENJIGN-HXUWFJFHSA-N 1 1 447.626 4.007 50 0 IIAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000012678941 525526379 /nfs/dbraw/zinc/52/63/79/525526379.db2.gz IVHPJMXMENJIGN-HXUWFJFHSA-N 1 1 447.626 4.007 50 0 IIAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1OC ZINC000021794177 525833593 /nfs/dbraw/zinc/83/35/93/525833593.db2.gz UWZQEZJFALFBSH-UHFFFAOYSA-N 1 1 433.512 4.398 50 0 IIAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1OC ZINC000021794177 525833606 /nfs/dbraw/zinc/83/36/06/525833606.db2.gz UWZQEZJFALFBSH-UHFFFAOYSA-N 1 1 433.512 4.398 50 0 IIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000022241942 526037695 /nfs/dbraw/zinc/03/76/95/526037695.db2.gz CYLQRASCHMCPPP-NBGIEHNGSA-N 1 1 428.536 4.367 50 0 IIAAMO COc1cccc(N2CCC([N@H+]3CCC[C@H](N4CCN(c5ccccc5C)CC4)C3)CC2)c1 ZINC000020539349 526143278 /nfs/dbraw/zinc/14/32/78/526143278.db2.gz OCGVDWPACUPGGL-SANMLTNESA-N 1 1 448.655 4.259 50 0 IIAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012936621 526156590 /nfs/dbraw/zinc/15/65/90/526156590.db2.gz ACVGVOMRQPMORK-CQSZACIVSA-N 1 1 426.870 4.293 50 0 IIAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012936621 526156599 /nfs/dbraw/zinc/15/65/99/526156599.db2.gz ACVGVOMRQPMORK-CQSZACIVSA-N 1 1 426.870 4.293 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000035399176 526246460 /nfs/dbraw/zinc/24/64/60/526246460.db2.gz UQEBHQFFAGSMHT-SFHVURJKSA-N 1 1 435.012 4.355 50 0 IIAAMO O[C@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000035590812 526283824 /nfs/dbraw/zinc/28/38/24/526283824.db2.gz RUYULBHHSOTMCZ-DEOSSOPVSA-N 1 1 434.555 4.157 50 0 IIAAMO O=C(NCc1ccc(F)cc1Cl)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930073 526675602 /nfs/dbraw/zinc/67/56/02/526675602.db2.gz TZMWVXWWCNESHL-UHFFFAOYSA-N 1 1 428.895 4.058 50 0 IIAAMO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012592336 527057008 /nfs/dbraw/zinc/05/70/08/527057008.db2.gz UKRMSSXHQLXXDD-UHFFFAOYSA-N 1 1 439.559 4.394 50 0 IIAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1Cn1cccn1 ZINC000012472437 527147709 /nfs/dbraw/zinc/14/77/09/527147709.db2.gz KRSQZIANRNGHON-VWLOTQADSA-N 1 1 440.551 4.110 50 0 IIAAMO Cn1ccnc1[C@@H]1CCCCN1C(=O)CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012246619 527456846 /nfs/dbraw/zinc/45/68/46/527456846.db2.gz YODDBIWSIATSSP-ZCYQVOJMSA-N 1 1 444.579 4.500 50 0 IIAAMO COc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nc2)c1 ZINC000034681795 555815281 /nfs/dbraw/zinc/81/52/81/555815281.db2.gz LOLCWWCSZPHFKO-UHFFFAOYSA-N 1 1 434.515 4.194 50 0 IIAAMO COc1cccc(N(C2CC[NH+](Cc3ccoc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034684001 555819410 /nfs/dbraw/zinc/81/94/10/555819410.db2.gz YTTPFTGYGHPUBP-UHFFFAOYSA-N 1 1 440.565 4.457 50 0 IIAAMO CC[C@H](NC(=O)C(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000006874896 556107486 /nfs/dbraw/zinc/10/74/86/556107486.db2.gz ATGNGHHMCJVJNU-XUZZJYLKSA-N 1 1 428.548 4.493 50 0 IIAAMO CC[C@H](NC(=O)C(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000006874896 556107490 /nfs/dbraw/zinc/10/74/90/556107490.db2.gz ATGNGHHMCJVJNU-XUZZJYLKSA-N 1 1 428.548 4.493 50 0 IIAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1C[NH+]1CCCCC1 ZINC000008742086 556207438 /nfs/dbraw/zinc/20/74/38/556207438.db2.gz JTNCHTZZTQUTHH-UHFFFAOYSA-N 1 1 437.334 4.029 50 0 IIAAMO COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)[NH+]=C3Nc4ccccc4N32)cc(OC)c1OC ZINC000009289247 556273763 /nfs/dbraw/zinc/27/37/63/556273763.db2.gz CQDMOIVUUMEWIF-NRFANRHFSA-N 1 1 437.496 4.281 50 0 IIAAMO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000009428308 556290932 /nfs/dbraw/zinc/29/09/32/556290932.db2.gz DTJKFBWWGFMFTE-HXUWFJFHSA-N 1 1 427.342 4.036 50 0 IIAAMO CCOc1ccc(CC2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000009934120 556317894 /nfs/dbraw/zinc/31/78/94/556317894.db2.gz LHIUMOKCNDQAFZ-QFIPXVFZSA-N 1 1 444.934 4.464 50 0 IIAAMO Cc1[nH+]ccn1CC[C@H](NC(=O)c1cn(Cc2ccccc2Cl)nn1)c1ccccc1 ZINC000011661612 556343172 /nfs/dbraw/zinc/34/31/72/556343172.db2.gz ILUKBAIDOXJAOR-NRFANRHFSA-N 1 1 434.931 4.046 50 0 IIAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000014017702 556355952 /nfs/dbraw/zinc/35/59/52/556355952.db2.gz KQDIWVCEYAOAFR-INIZCTEOSA-N 1 1 433.508 4.127 50 0 IIAAMO O=C(C[N@H+](CCc1cccs1)Cc1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014086105 556364731 /nfs/dbraw/zinc/36/47/31/556364731.db2.gz PJQYQMHUSQSBEF-UHFFFAOYSA-N 1 1 427.595 4.301 50 0 IIAAMO O=C(C[N@@H+](CCc1cccs1)Cc1cccs1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014086105 556364737 /nfs/dbraw/zinc/36/47/37/556364737.db2.gz PJQYQMHUSQSBEF-UHFFFAOYSA-N 1 1 427.595 4.301 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000012050305 556392151 /nfs/dbraw/zinc/39/21/51/556392151.db2.gz BIABKDMNTYKDLN-OAHLLOKOSA-N 1 1 434.993 4.491 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000012050305 556392152 /nfs/dbraw/zinc/39/21/52/556392152.db2.gz BIABKDMNTYKDLN-OAHLLOKOSA-N 1 1 434.993 4.491 50 0 IIAAMO COc1cc2nc(C[N@H+](CCc3ccccc3)Cc3ccccc3)[nH]c(=O)c2cc1OC ZINC000032819346 556411929 /nfs/dbraw/zinc/41/19/29/556411929.db2.gz QFYWWBMLJLMWAX-UHFFFAOYSA-N 1 1 429.520 4.185 50 0 IIAAMO COc1cc2nc(C[N@@H+](CCc3ccccc3)Cc3ccccc3)[nH]c(=O)c2cc1OC ZINC000032819346 556411931 /nfs/dbraw/zinc/41/19/31/556411931.db2.gz QFYWWBMLJLMWAX-UHFFFAOYSA-N 1 1 429.520 4.185 50 0 IIAAMO CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000014950684 556460764 /nfs/dbraw/zinc/46/07/64/556460764.db2.gz YQLMGNCOBYCJTA-FQEVSTJZSA-N 1 1 434.646 4.448 50 0 IIAAMO COc1ccc(CN2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(OC)c1OC ZINC000029843865 556484269 /nfs/dbraw/zinc/48/42/69/556484269.db2.gz RCCREXDDBCTOAN-UHFFFAOYSA-N 1 1 427.932 4.236 50 0 IIAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000013164340 556496522 /nfs/dbraw/zinc/49/65/22/556496522.db2.gz TVRHDGJFGLIZJS-XMMPIXPASA-N 1 1 433.577 4.304 50 0 IIAAMO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1)CC2 ZINC000072294867 556514696 /nfs/dbraw/zinc/51/46/96/556514696.db2.gz CWMJUDKHKGHCSU-CDNPAEQRSA-N 1 1 440.609 4.417 50 0 IIAAMO COc1cc2c(cc1OC)[C@H](C)N(CC[N@H+]1CCc3cc(OC)c(OC)cc3[C@@H]1C)CC2 ZINC000023352900 556579735 /nfs/dbraw/zinc/57/97/35/556579735.db2.gz OIOVENDQAWCFQH-ROUUACIJSA-N 1 1 440.584 4.259 50 0 biogenic IIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)sc2C1 ZINC000032969107 556587985 /nfs/dbraw/zinc/58/79/85/556587985.db2.gz NCHZXJPFYCWFMC-UHFFFAOYSA-N 1 1 430.537 4.021 50 0 IIAAMO CC[N@H+]1CCc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)sc2C1 ZINC000032969107 556587988 /nfs/dbraw/zinc/58/79/88/556587988.db2.gz NCHZXJPFYCWFMC-UHFFFAOYSA-N 1 1 430.537 4.021 50 0 IIAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145870 556593884 /nfs/dbraw/zinc/59/38/84/556593884.db2.gz OAEOAMSQRAPKEH-RPBOFIJWSA-N 1 1 448.538 4.399 50 0 IIAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145870 556593885 /nfs/dbraw/zinc/59/38/85/556593885.db2.gz OAEOAMSQRAPKEH-RPBOFIJWSA-N 1 1 448.538 4.399 50 0 IIAAMO COC(=O)c1ccccc1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016345445 556601011 /nfs/dbraw/zinc/60/10/11/556601011.db2.gz YGPSYWWZKAXEFT-UHFFFAOYSA-N 1 1 429.520 4.412 50 0 IIAAMO C[C@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000016422289 556606385 /nfs/dbraw/zinc/60/63/85/556606385.db2.gz HRXNSDYAINCZOI-HNNXBMFYSA-N 1 1 440.897 4.143 50 0 IIAAMO C[C@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl ZINC000016422289 556606387 /nfs/dbraw/zinc/60/63/87/556606387.db2.gz HRXNSDYAINCZOI-HNNXBMFYSA-N 1 1 440.897 4.143 50 0 IIAAMO COC(=O)c1ccsc1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017099640 556664989 /nfs/dbraw/zinc/66/49/89/556664989.db2.gz KNFHLXSQTJXTPX-UHFFFAOYSA-N 1 1 435.549 4.474 50 0 IIAAMO CCOC(=O)C1CCN(c2c(C(=O)c3ccc(C)cc3)c[nH+]c3cc4c(cc32)OCO4)CC1 ZINC000036102756 556719911 /nfs/dbraw/zinc/71/99/11/556719911.db2.gz IFAFMYPKOYTBIX-UHFFFAOYSA-N 1 1 446.503 4.282 50 0 IIAAMO CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCOCC1)c1ccccc1CC2 ZINC000019338322 556739085 /nfs/dbraw/zinc/73/90/85/556739085.db2.gz CQIURCSQCDFSBD-UHFFFAOYSA-N 1 1 437.540 4.129 50 0 biogenic IIAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038485 556755188 /nfs/dbraw/zinc/75/51/88/556755188.db2.gz PEZKOVHEASIWQS-NRFANRHFSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038485 556755192 /nfs/dbraw/zinc/75/51/92/556755192.db2.gz PEZKOVHEASIWQS-NRFANRHFSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038485 556755197 /nfs/dbraw/zinc/75/51/97/556755197.db2.gz PEZKOVHEASIWQS-NRFANRHFSA-N 1 1 427.932 4.033 50 0 IIAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038485 556755201 /nfs/dbraw/zinc/75/52/01/556755201.db2.gz PEZKOVHEASIWQS-NRFANRHFSA-N 1 1 427.932 4.033 50 0 IIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nnc(-c2cccc(Br)c2)o1 ZINC000058158482 556763558 /nfs/dbraw/zinc/76/35/58/556763558.db2.gz JLUXUVAUKJDZLP-CQSZACIVSA-N 1 1 439.317 4.273 50 0 IIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nnc(-c2cccc(Br)c2)o1 ZINC000058158482 556763560 /nfs/dbraw/zinc/76/35/60/556763560.db2.gz JLUXUVAUKJDZLP-CQSZACIVSA-N 1 1 439.317 4.273 50 0 IIAAMO Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058247322 556775542 /nfs/dbraw/zinc/77/55/42/556775542.db2.gz YHGUMOYCEQJFHK-ZCYQVOJMSA-N 1 1 433.596 4.018 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000059286480 556796968 /nfs/dbraw/zinc/79/69/68/556796968.db2.gz MUIOQKCCZQGEHD-BGYRXZFFSA-N 1 1 446.595 4.040 50 0 IIAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccs1 ZINC000002137506 556799147 /nfs/dbraw/zinc/79/91/47/556799147.db2.gz RVESFUQJOGLCIX-XJKCOSOUSA-N 1 1 425.809 4.455 50 0 IIAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3CCN(c4nc5cc(C)ccc5[nH]4)CC3)C2)cc1 ZINC000033070893 556850988 /nfs/dbraw/zinc/85/09/88/556850988.db2.gz KSOSGHVHPJEUBA-QFIPXVFZSA-N 1 1 445.611 4.034 50 0 IIAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CCN(c4nc5ccc(C)cc5[nH]4)CC3)C2)cc1 ZINC000033070893 556850991 /nfs/dbraw/zinc/85/09/91/556850991.db2.gz KSOSGHVHPJEUBA-QFIPXVFZSA-N 1 1 445.611 4.034 50 0 IIAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3CCN(c4nc5ccc(C)cc5[nH]4)CC3)C2)cc1 ZINC000033070893 556850996 /nfs/dbraw/zinc/85/09/96/556850996.db2.gz KSOSGHVHPJEUBA-QFIPXVFZSA-N 1 1 445.611 4.034 50 0 IIAAMO C[N@@H+](CCN1CCOCC1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000020295590 557006364 /nfs/dbraw/zinc/00/63/64/557006364.db2.gz CPWCBNUMQRUBBO-UHFFFAOYSA-N 1 1 430.552 4.109 50 0 IIAAMO CC(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000022919580 557046715 /nfs/dbraw/zinc/04/67/15/557046715.db2.gz PODGRQAGQDRNKE-UHFFFAOYSA-N 1 1 441.444 4.262 50 0 IIAAMO CC[C@@H](C(=O)N1CCN(c2nc(Nc3ccc(OC)cc3)cc(C)[nH+]2)CC1)c1ccccc1 ZINC000017269082 557048131 /nfs/dbraw/zinc/04/81/31/557048131.db2.gz HCPDRBRPHXNLCF-HSZRJFAPSA-N 1 1 445.567 4.380 50 0 IIAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)cc1F ZINC000033277335 557059202 /nfs/dbraw/zinc/05/92/02/557059202.db2.gz HZDHOWRXOVGGDY-UHFFFAOYSA-N 1 1 448.542 4.011 50 0 IIAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)cc1F ZINC000033277335 557059208 /nfs/dbraw/zinc/05/92/08/557059208.db2.gz HZDHOWRXOVGGDY-UHFFFAOYSA-N 1 1 448.542 4.011 50 0 IIAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc5c(c4)CCC5)CC3)n2)cc1 ZINC000049403453 557099225 /nfs/dbraw/zinc/09/92/25/557099225.db2.gz PIZLZXZRNGGEEA-UHFFFAOYSA-N 1 1 432.524 4.052 50 0 IIAAMO CC(C)Cn1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c2c3ccccc3n(C)c2c1=O ZINC000004789083 557120340 /nfs/dbraw/zinc/12/03/40/557120340.db2.gz YSEHQWXEBNQRLM-UHFFFAOYSA-N 1 1 444.579 4.011 50 0 IIAAMO CC(=O)c1sc(-c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)nc1C ZINC000023908368 557125211 /nfs/dbraw/zinc/12/52/11/557125211.db2.gz KISJTJMRKBCECZ-UHFFFAOYSA-N 1 1 449.576 4.044 50 0 IIAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000024766102 557165189 /nfs/dbraw/zinc/16/51/89/557165189.db2.gz TUXIWTSCBHDMCL-SANMLTNESA-N 1 1 431.605 4.353 50 0 IIAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000024766102 557165190 /nfs/dbraw/zinc/16/51/90/557165190.db2.gz TUXIWTSCBHDMCL-SANMLTNESA-N 1 1 431.605 4.353 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1ccc2c1ccnc2SCc1ccc(F)cc1 ZINC000033298588 557330640 /nfs/dbraw/zinc/33/06/40/557330640.db2.gz PTQQEZGBJTZVQF-GOSISDBHSA-N 1 1 440.588 4.458 50 0 IIAAMO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccccc1 ZINC000108951020 557544845 /nfs/dbraw/zinc/54/48/45/557544845.db2.gz ZLAZUWXJRJVJDH-DHIUTWEWSA-N 1 1 426.969 4.416 50 0 IIAAMO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccccc1 ZINC000108951020 557544848 /nfs/dbraw/zinc/54/48/48/557544848.db2.gz ZLAZUWXJRJVJDH-DHIUTWEWSA-N 1 1 426.969 4.416 50 0 IIAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014071074 557836969 /nfs/dbraw/zinc/83/69/69/557836969.db2.gz HWAHFMOOZCAWFA-IAGOWNOFSA-N 1 1 434.565 4.240 50 0 IIAAMO O=C(c1ccc(C[S@@](=O)c2ccccc2Cl)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000009115511 562967227 /nfs/dbraw/zinc/96/72/27/562967227.db2.gz ZLKDSMFIRQUVST-LJAQVGFWSA-N 1 1 434.989 4.331 50 0 IIAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983269 568623988 /nfs/dbraw/zinc/62/39/88/568623988.db2.gz FEPWIGORRUUXNZ-ILBGXUMGSA-N 1 1 434.511 4.261 50 0 IIAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983269 568623990 /nfs/dbraw/zinc/62/39/90/568623990.db2.gz FEPWIGORRUUXNZ-ILBGXUMGSA-N 1 1 434.511 4.261 50 0 IIAAMO CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cccc(F)c1 ZINC000299782843 568757261 /nfs/dbraw/zinc/75/72/61/568757261.db2.gz GRXZVVAOVHUBJH-YADHBBJMSA-N 1 1 443.519 4.347 50 0 IIAAMO CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cccc(F)c1 ZINC000299782843 568757263 /nfs/dbraw/zinc/75/72/63/568757263.db2.gz GRXZVVAOVHUBJH-YADHBBJMSA-N 1 1 443.519 4.347 50 0 IIAAMO CC(C)[N@@H+](CCCNC(=O)c1cnn2c1ncc1c2CCCCCC1)Cc1ccccc1 ZINC000015723655 568812355 /nfs/dbraw/zinc/81/23/55/568812355.db2.gz HZNGPTGYAZNHPI-UHFFFAOYSA-N 1 1 433.600 4.419 50 0 IIAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982820 568839202 /nfs/dbraw/zinc/83/92/02/568839202.db2.gz OAEOAMSQRAPKEH-JWQCQUIFSA-N 1 1 448.538 4.399 50 0 IIAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982820 568839203 /nfs/dbraw/zinc/83/92/03/568839203.db2.gz OAEOAMSQRAPKEH-JWQCQUIFSA-N 1 1 448.538 4.399 50 0 IIAAMO O=C(Cc1ccccc1)N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl ZINC000016041252 568868341 /nfs/dbraw/zinc/86/83/41/568868341.db2.gz VXOCOWBDBQLXEI-JENIJYKNSA-N 1 1 433.807 4.323 50 0 IIAAMO COc1ccc(-n2c(=O)c3ccccc3nc2SCC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000013009586 568899988 /nfs/dbraw/zinc/89/99/88/568899988.db2.gz BUGHFCWYOTYGSN-QGZVFWFLSA-N 1 1 439.581 4.369 50 0 IIAAMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000026924836 568926475 /nfs/dbraw/zinc/92/64/75/568926475.db2.gz HXVICJNPPMHTAJ-ZDUSSCGKSA-N 1 1 429.369 4.419 50 0 IIAAMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000026924836 568926478 /nfs/dbraw/zinc/92/64/78/568926478.db2.gz HXVICJNPPMHTAJ-ZDUSSCGKSA-N 1 1 429.369 4.419 50 0 IIAAMO Cc1c(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cnn1-c1cc[nH+]cc1 ZINC000089545063 568936968 /nfs/dbraw/zinc/93/69/68/568936968.db2.gz SOUIAWMAEYWTQQ-OCCSQVGLSA-N 1 1 447.322 4.305 50 0 IIAAMO O=C(C[C@H]1COc2ccccc2N1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064663390 568943595 /nfs/dbraw/zinc/94/35/95/568943595.db2.gz CKOSFBBDBUYCSP-VWLOTQADSA-N 1 1 441.575 4.189 50 0 IIAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccccc2C)cc1 ZINC000036104623 568953159 /nfs/dbraw/zinc/95/31/59/568953159.db2.gz FLRQUGAQJIALSU-QFIPXVFZSA-N 1 1 435.520 4.174 50 0 IIAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1OC ZINC000064800835 568961198 /nfs/dbraw/zinc/96/11/98/568961198.db2.gz WFHBDLLKXGEZFQ-UHFFFAOYSA-N 1 1 433.512 4.398 50 0 IIAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800970 568961431 /nfs/dbraw/zinc/96/14/31/568961431.db2.gz KCRBTEROKPDYGQ-UHFFFAOYSA-N 1 1 431.496 4.500 50 0 IIAAMO CC(C)CNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677373 568989753 /nfs/dbraw/zinc/98/97/53/568989753.db2.gz LPXDQHXXBPITLN-GMAHTHKFSA-N 1 1 445.529 4.341 50 0 IIAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](C)O ZINC000036309838 568996306 /nfs/dbraw/zinc/99/63/06/568996306.db2.gz WUMWIJAUPGVCBR-SVMVAKDDSA-N 1 1 448.604 4.121 50 0 IIAAMO CC1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000036310834 568996922 /nfs/dbraw/zinc/99/69/22/568996922.db2.gz BIDKTLMNYPYWOD-QFIPXVFZSA-N 1 1 447.023 4.307 50 0 IIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](C)O)C[C@@H]1CCCO1 ZINC000036342104 569079696 /nfs/dbraw/zinc/07/96/96/569079696.db2.gz YCSXVLAKFBACGQ-JPYJTQIMSA-N 1 1 439.531 4.474 50 0 IIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](C)O)C[C@@H]1CCCO1 ZINC000036342104 569079697 /nfs/dbraw/zinc/07/96/97/569079697.db2.gz YCSXVLAKFBACGQ-JPYJTQIMSA-N 1 1 439.531 4.474 50 0 IIAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346254 569081110 /nfs/dbraw/zinc/08/11/10/569081110.db2.gz ZBEJKVXTPZMOLM-OAQYLSRUSA-N 1 1 427.520 4.331 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346254 569081111 /nfs/dbraw/zinc/08/11/11/569081111.db2.gz ZBEJKVXTPZMOLM-OAQYLSRUSA-N 1 1 427.520 4.331 50 0 IIAAMO C[N@@H+]1CCN(C(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)[C@H](c2ccccc2)C1 ZINC000065025740 569090773 /nfs/dbraw/zinc/09/07/73/569090773.db2.gz HKCGJIZYJKRPFJ-VWLOTQADSA-N 1 1 441.579 4.263 50 0 IIAAMO C[N@H+]1CCN(C(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)[C@H](c2ccccc2)C1 ZINC000065025740 569090774 /nfs/dbraw/zinc/09/07/74/569090774.db2.gz HKCGJIZYJKRPFJ-VWLOTQADSA-N 1 1 441.579 4.263 50 0 IIAAMO CC[C@H](NC(=O)C1CC1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000006874756 569094797 /nfs/dbraw/zinc/09/47/97/569094797.db2.gz SDDFNQAYVDFAAH-XUZZJYLKSA-N 1 1 426.532 4.247 50 0 IIAAMO CC[C@H](NC(=O)C1CC1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000006874756 569094798 /nfs/dbraw/zinc/09/47/98/569094798.db2.gz SDDFNQAYVDFAAH-XUZZJYLKSA-N 1 1 426.532 4.247 50 0 IIAAMO C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000036390775 569097083 /nfs/dbraw/zinc/09/70/83/569097083.db2.gz LDRFRZYNRMYQAY-ZWKOTPCHSA-N 1 1 427.976 4.007 50 0 IIAAMO O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200471 569115229 /nfs/dbraw/zinc/11/52/29/569115229.db2.gz NPFAFHCGZZMLDA-UHFFFAOYSA-N 1 1 438.519 4.110 50 0 IIAAMO CCCN(C(=O)c1ccc(OC(F)F)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000170626673 569148776 /nfs/dbraw/zinc/14/87/76/569148776.db2.gz LWMCHNACXQUSFZ-UHFFFAOYSA-N 1 1 448.514 4.225 50 0 IIAAMO CCOc1ccc(OCC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000170648786 569189475 /nfs/dbraw/zinc/18/94/75/569189475.db2.gz KZEJEAAEANIVRY-UHFFFAOYSA-N 1 1 436.474 4.264 50 0 IIAAMO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1c2ccccc2C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000013137855 569311678 /nfs/dbraw/zinc/31/16/78/569311678.db2.gz ZLAZUWXJRJVJDH-XZOQPEGZSA-N 1 1 426.969 4.416 50 0 IIAAMO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1c2ccccc2C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000013137855 569311681 /nfs/dbraw/zinc/31/16/81/569311681.db2.gz ZLAZUWXJRJVJDH-XZOQPEGZSA-N 1 1 426.969 4.416 50 0 IIAAMO Cc1csc(-c2cccc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)c2)n1 ZINC000078975309 569321128 /nfs/dbraw/zinc/32/11/28/569321128.db2.gz MGABPGKLWMHMHZ-IRLDBZIGSA-N 1 1 436.581 4.123 50 0 IIAAMO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000078985209 569321212 /nfs/dbraw/zinc/32/12/12/569321212.db2.gz AGEUKKFGTYVEOZ-HSZRJFAPSA-N 1 1 428.523 4.184 50 0 IIAAMO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000078985209 569321214 /nfs/dbraw/zinc/32/12/14/569321214.db2.gz AGEUKKFGTYVEOZ-HSZRJFAPSA-N 1 1 428.523 4.184 50 0 IIAAMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000095430314 569366086 /nfs/dbraw/zinc/36/60/86/569366086.db2.gz MIFOVTDBPGSMOH-UHFFFAOYSA-N 1 1 435.524 4.138 50 0 IIAAMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000095430314 569366088 /nfs/dbraw/zinc/36/60/88/569366088.db2.gz MIFOVTDBPGSMOH-UHFFFAOYSA-N 1 1 435.524 4.138 50 0 IIAAMO O=C(Nc1nnc(CC[N@H+]2CCc3ccccc3C2)s1)c1ccccc1Br ZINC000095481379 569374068 /nfs/dbraw/zinc/37/40/68/569374068.db2.gz ADPFFUNMDSIZPS-UHFFFAOYSA-N 1 1 443.370 4.154 50 0 IIAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000003048153 569438800 /nfs/dbraw/zinc/43/88/00/569438800.db2.gz FVGJNHJULDYXNX-BKSPAHHJSA-N 1 1 433.596 4.461 50 0 IIAAMO COc1ccc2c(C[N@H+]3CC=C(c4c(OC)cc(OC)cc4OC)CC3)cc(=O)oc2c1 ZINC000057713429 569441061 /nfs/dbraw/zinc/44/10/61/569441061.db2.gz BXHGZJCBXWQVDP-UHFFFAOYSA-N 1 1 437.492 4.117 50 0 IIAAMO COc1ccc2c(C[N@@H+]3CC=C(c4c(OC)cc(OC)cc4OC)CC3)cc(=O)oc2c1 ZINC000057713429 569441062 /nfs/dbraw/zinc/44/10/62/569441062.db2.gz BXHGZJCBXWQVDP-UHFFFAOYSA-N 1 1 437.492 4.117 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000008328731 569462583 /nfs/dbraw/zinc/46/25/83/569462583.db2.gz VGXPOLAMWNILIP-IBGZPJMESA-N 1 1 427.614 4.246 50 0 IIAAMO COc1cccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)c1 ZINC000038546403 569463572 /nfs/dbraw/zinc/46/35/72/569463572.db2.gz BHRKXYYYOYGWSL-NRFANRHFSA-N 1 1 425.554 4.247 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000008876829 569481111 /nfs/dbraw/zinc/48/11/11/569481111.db2.gz VPBLXOLTDCARML-GXYVPTEVSA-N 1 1 439.943 4.236 50 0 biogenic IIAAMO CCC(=O)N1CCc2cc(C(=O)Nc3nc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cs3)ccc21 ZINC000040144346 569491993 /nfs/dbraw/zinc/49/19/93/569491993.db2.gz BYTOLSOYBNZPLY-IYBDPMFKSA-N 1 1 426.586 4.172 50 0 IIAAMO CCC(=O)N1CCc2cc(C(=O)Nc3nc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cs3)ccc21 ZINC000040144346 569491994 /nfs/dbraw/zinc/49/19/94/569491994.db2.gz BYTOLSOYBNZPLY-IYBDPMFKSA-N 1 1 426.586 4.172 50 0 IIAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C)c1 ZINC000009071677 569500186 /nfs/dbraw/zinc/50/01/86/569500186.db2.gz QRTGTEBSNDQYBK-UHFFFAOYSA-N 1 1 449.473 4.491 50 0 IIAAMO CC[C@@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000245330420 569504092 /nfs/dbraw/zinc/50/40/92/569504092.db2.gz YKDCUEZJYOAUCL-NFBKMPQASA-N 1 1 444.641 4.469 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)[NH+]2CCCC2)cc1 ZINC000009128495 569505451 /nfs/dbraw/zinc/50/54/51/569505451.db2.gz DFGIGEPRVQXWBO-RUZDIDTESA-N 1 1 428.532 4.493 50 0 IIAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009228228 569513603 /nfs/dbraw/zinc/51/36/03/569513603.db2.gz KOYWDCKASOHGQZ-UHFFFAOYSA-N 1 1 427.526 4.055 50 0 IIAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2nc(C)c(CC(N)=O)s2)n1 ZINC000009255117 569516455 /nfs/dbraw/zinc/51/64/55/569516455.db2.gz NADLTAFIQYVETE-UHFFFAOYSA-N 1 1 435.644 4.094 50 0 IIAAMO Cc1nc2ccccc2nc1C[NH+](Cc1nc2ccccc2nc1C)[C@@H](C)Cn1cccn1 ZINC000069776675 569517645 /nfs/dbraw/zinc/51/76/45/569517645.db2.gz ALLJRBRZDAOJTG-SFHVURJKSA-N 1 1 437.551 4.477 50 0 IIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(Br)c(Br)s1 ZINC000009366324 569526213 /nfs/dbraw/zinc/52/62/13/569526213.db2.gz DHZYWAPOTJKMAG-LLVKDONJSA-N 1 1 448.180 4.433 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000009692084 569561039 /nfs/dbraw/zinc/56/10/39/569561039.db2.gz SGNIIIXBTMIBON-KRWDZBQOSA-N 1 1 436.021 4.055 50 0 IIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000009692083 569561068 /nfs/dbraw/zinc/56/10/68/569561068.db2.gz SGNIIIXBTMIBON-QGZVFWFLSA-N 1 1 436.021 4.055 50 0 IIAAMO C[C@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccc2c(c1)OCCO2 ZINC000009766749 569566902 /nfs/dbraw/zinc/56/69/02/569566902.db2.gz ZMHGNCFZUZXMAZ-INIZCTEOSA-N 1 1 437.565 4.124 50 0 IIAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)nn2)CC1 ZINC000010186659 569578399 /nfs/dbraw/zinc/57/83/99/569578399.db2.gz DQYISRIQAPZTKQ-UHFFFAOYSA-N 1 1 442.350 4.455 50 0 IIAAMO CCCn1c2ccccc2nc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)c1=O ZINC000033298526 569587463 /nfs/dbraw/zinc/58/74/63/569587463.db2.gz QDJPJAFOVMIXEA-IBGZPJMESA-N 1 1 432.568 4.078 50 0 IIAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699353 569587597 /nfs/dbraw/zinc/58/75/97/569587597.db2.gz HEIHNEJRGMHETE-YIXXDRMTSA-N 1 1 447.554 4.494 50 0 IIAAMO CC(C)Oc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020549926 519778172 /nfs/dbraw/zinc/77/81/72/519778172.db2.gz BYMLXCAAQJYCSH-UHFFFAOYSA-N 1 1 433.552 4.141 50 0 IIAAMO CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)[C@@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000012434251 520459609 /nfs/dbraw/zinc/45/96/09/520459609.db2.gz BCANUERMKLXXHX-HXUWFJFHSA-N 1 1 425.573 4.372 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991275 520508647 /nfs/dbraw/zinc/50/86/47/520508647.db2.gz FFRHHZHQDOJXFX-DEOSSOPVSA-N 1 1 435.568 4.455 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991275 520508650 /nfs/dbraw/zinc/50/86/50/520508650.db2.gz FFRHHZHQDOJXFX-DEOSSOPVSA-N 1 1 435.568 4.455 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991274 520509764 /nfs/dbraw/zinc/50/97/64/520509764.db2.gz FFRHHZHQDOJXFX-XMMPIXPASA-N 1 1 435.568 4.455 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991274 520509769 /nfs/dbraw/zinc/50/97/69/520509769.db2.gz FFRHHZHQDOJXFX-XMMPIXPASA-N 1 1 435.568 4.455 50 0 IIAAMO CCOC(=O)C[C@H](NC(=O)N1CCC(C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1)c1ccccc1 ZINC000021718225 520886526 /nfs/dbraw/zinc/88/65/26/520886526.db2.gz BDYBUTZKYMFESG-MZKRTTBSSA-N 1 1 429.605 4.080 50 0 IIAAMO CCOC(=O)Cc1ccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000020532095 520904383 /nfs/dbraw/zinc/90/43/83/520904383.db2.gz CWSLCIZEHQSGJW-UHFFFAOYSA-N 1 1 435.568 4.094 50 0 IIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)CC1 ZINC000012441567 520924741 /nfs/dbraw/zinc/92/47/41/520924741.db2.gz RDYLDIRXHHVNHD-GOSISDBHSA-N 1 1 435.996 4.069 50 0 IIAAMO CCN(Cc1ccncc1)Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000012304952 521422416 /nfs/dbraw/zinc/42/24/16/521422416.db2.gz HKJKJKATYKJHTO-DEOSSOPVSA-N 1 1 441.616 4.117 50 0 IIAAMO CCN(Cc1ccncc1)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012304952 521422426 /nfs/dbraw/zinc/42/24/26/521422426.db2.gz HKJKJKATYKJHTO-DEOSSOPVSA-N 1 1 441.616 4.117 50 0 IIAAMO CCC(CC)C(=O)N1CCC[C@H](COc2cccc(C[N@@H+](C)C3CCN(C)CC3)c2)C1 ZINC000012191058 521491101 /nfs/dbraw/zinc/49/11/01/521491101.db2.gz CYLJGSKDLIMKPK-QFIPXVFZSA-N 1 1 429.649 4.266 50 0 IIAAMO CCC(CC)C(=O)N1CCC[C@H](COc2cccc(CN(C)C3CC[NH+](C)CC3)c2)C1 ZINC000012191058 521491113 /nfs/dbraw/zinc/49/11/13/521491113.db2.gz CYLJGSKDLIMKPK-QFIPXVFZSA-N 1 1 429.649 4.266 50 0 IIAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](CCO)CC34CC5CC(CC(C5)C3)C4)c(C)o2)cc1 ZINC000012588416 521928036 /nfs/dbraw/zinc/92/80/36/521928036.db2.gz ZTUBPTYKUPMLIG-UHFFFAOYSA-N 1 1 438.568 4.447 50 0 IIAAMO COC(=O)c1sc2nc(C[N@@H+](C)C(C)C)ccc2c1NC(=O)Cc1ccccc1F ZINC000012100232 522430896 /nfs/dbraw/zinc/43/08/96/522430896.db2.gz SRRZQLDNRHUCEJ-UHFFFAOYSA-N 1 1 429.517 4.243 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Cc1ccccc1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041051 523035929 /nfs/dbraw/zinc/03/59/29/523035929.db2.gz QVUSYQIUBMSHDU-RUZDIDTESA-N 1 1 444.575 4.471 50 0 IIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)Cc1ccccc1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041051 523035947 /nfs/dbraw/zinc/03/59/47/523035947.db2.gz QVUSYQIUBMSHDU-RUZDIDTESA-N 1 1 444.575 4.471 50 0 IIAAMO COc1ccc(-c2nc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)cs2)cc1OC ZINC000012789439 523188194 /nfs/dbraw/zinc/18/81/94/523188194.db2.gz QTGSPHZCZQFZDN-UHFFFAOYSA-N 1 1 437.565 4.094 50 0 IIAAMO COc1ccc(-n2ccnc2CN(C)CC2CC[NH+](CCc3ccccc3OC)CC2)cc1 ZINC000012304861 523338378 /nfs/dbraw/zinc/33/83/78/523338378.db2.gz LSYFYUOKDISUOE-UHFFFAOYSA-N 1 1 448.611 4.276 50 0 IIAAMO CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)N4CC[NH+](CC)CC4)c3)C2)cc1 ZINC000033034886 523883678 /nfs/dbraw/zinc/88/36/78/523883678.db2.gz NMFCTCQIRBOOAL-RUZDIDTESA-N 1 1 433.596 4.047 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)cc1OC ZINC000012592741 523940951 /nfs/dbraw/zinc/94/09/51/523940951.db2.gz ZVRRYRZOZQDHDJ-SFHVURJKSA-N 1 1 433.499 4.153 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000020599266 523941211 /nfs/dbraw/zinc/94/12/11/523941211.db2.gz PONNGPHWIJHJBW-QHCPKHFHSA-N 1 1 434.584 4.028 50 0 IIAAMO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012868934 524022341 /nfs/dbraw/zinc/02/23/41/524022341.db2.gz AYCKNIFLIXUYBG-QGZVFWFLSA-N 1 1 434.506 4.052 50 0 IIAAMO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012868934 524022345 /nfs/dbraw/zinc/02/23/45/524022345.db2.gz AYCKNIFLIXUYBG-QGZVFWFLSA-N 1 1 434.506 4.052 50 0 IIAAMO Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)nn2)c1 ZINC000035398276 524110108 /nfs/dbraw/zinc/11/01/08/524110108.db2.gz SXZCKILGJVARSG-QFIPXVFZSA-N 1 1 435.616 4.049 50 0 IIAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012752991 524248511 /nfs/dbraw/zinc/24/85/11/524248511.db2.gz GISHCSXBHPQCOS-HNNXBMFYSA-N 1 1 430.346 4.127 50 0 IIAAMO COc1ccccc1NC(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000021795601 524617696 /nfs/dbraw/zinc/61/76/96/524617696.db2.gz LFCJVWNSLVHBCG-UHFFFAOYSA-N 1 1 434.500 4.018 50 0 IIAAMO C[C@]1(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000012100070 525240098 /nfs/dbraw/zinc/24/00/98/525240098.db2.gz MGRZICVLTCCBFT-OAQYLSRUSA-N 1 1 435.952 4.263 50 0 IIAAMO COc1ccc([C@@H]2CCCCCN2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012922631 525243646 /nfs/dbraw/zinc/24/36/46/525243646.db2.gz CUDOVPVEVJMCET-SANMLTNESA-N 1 1 435.612 4.393 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000012598779 525409495 /nfs/dbraw/zinc/40/94/95/525409495.db2.gz ALCLWRIVYOZOHR-OAQYLSRUSA-N 1 1 439.947 4.485 50 0 IIAAMO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@H+](C)C4)c3n2)cc1 ZINC000021789066 525732271 /nfs/dbraw/zinc/73/22/71/525732271.db2.gz SUHBZIOYQLUOCU-OAHLLOKOSA-N 1 1 432.446 4.222 50 0 IIAAMO Cc1cc(=O)oc2cc(OCC(=O)N3CC[NH+]([C@@H](C)c4ccccc4)CC3)c(Cl)cc12 ZINC000022024838 526147941 /nfs/dbraw/zinc/14/79/41/526147941.db2.gz FSSCIMISIWHURQ-KRWDZBQOSA-N 1 1 440.927 4.039 50 0 IIAAMO O=C(NCC[N@H+]1CC[C@H](c2ccccc2)C1)c1cc(COc2cccc3cnccc32)on1 ZINC000012198867 526322648 /nfs/dbraw/zinc/32/26/48/526322648.db2.gz NMILAYMQNUXDAI-NRFANRHFSA-N 1 1 442.519 4.021 50 0 IIAAMO Fc1ccc(OCc2nc(CN3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)cs2)cc1 ZINC000022785708 526360102 /nfs/dbraw/zinc/36/01/02/526360102.db2.gz SVINCGCAWLDLKW-UHFFFAOYSA-N 1 1 439.556 4.114 50 0 IIAAMO O=C(c1ccc(C[S@@](=O)c2cccc(Cl)c2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015941589 526671901 /nfs/dbraw/zinc/67/19/01/526671901.db2.gz HOKDJVDGJROGTJ-LJAQVGFWSA-N 1 1 434.989 4.331 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012679170 526753687 /nfs/dbraw/zinc/75/36/87/526753687.db2.gz QIUIZONWYBCIMY-HXUWFJFHSA-N 1 1 447.626 4.088 50 0 IIAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012679170 526753694 /nfs/dbraw/zinc/75/36/94/526753694.db2.gz QIUIZONWYBCIMY-HXUWFJFHSA-N 1 1 447.626 4.088 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(Br)c1 ZINC000012903455 526755522 /nfs/dbraw/zinc/75/55/22/526755522.db2.gz DWJCVNXDELUZMT-GOSISDBHSA-N 1 1 431.330 4.386 50 0 IIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(Br)c1 ZINC000012903455 526755528 /nfs/dbraw/zinc/75/55/28/526755528.db2.gz DWJCVNXDELUZMT-GOSISDBHSA-N 1 1 431.330 4.386 50 0 IIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000057286155 526891238 /nfs/dbraw/zinc/89/12/38/526891238.db2.gz VUGBWYSZBNTJCR-QHCPKHFHSA-N 1 1 425.529 4.042 50 0 IIAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000012438936 527318576 /nfs/dbraw/zinc/31/85/76/527318576.db2.gz VBNTUDQREAPGFY-QGZVFWFLSA-N 1 1 432.553 4.175 50 0 IIAAMO O=C(/C=C/c1ccccc1)N1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020599652 527629937 /nfs/dbraw/zinc/62/99/37/527629937.db2.gz BCSHFQGRARCBHD-PUESRJFGSA-N 1 1 445.607 4.063 50 0 IIAAMO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)c12 ZINC000036616617 527682682 /nfs/dbraw/zinc/68/26/82/527682682.db2.gz KOJZLXZSAVEQAU-UHFFFAOYSA-N 1 1 445.592 4.272 50 0 IIAAMO COc1cc(C)c(C[NH+]2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1OC ZINC000014169285 536570961 /nfs/dbraw/zinc/57/09/61/536570961.db2.gz UTSUIHWNLSTCKT-UHFFFAOYSA-N 1 1 446.473 4.296 50 0 IIAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c(OC)c1 ZINC000002492983 555784155 /nfs/dbraw/zinc/78/41/55/555784155.db2.gz XIPOGDPRIONHQC-QFIPXVFZSA-N 1 1 435.549 4.178 50 0 IIAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c(OC)c1 ZINC000002492983 555784161 /nfs/dbraw/zinc/78/41/61/555784161.db2.gz XIPOGDPRIONHQC-QFIPXVFZSA-N 1 1 435.549 4.178 50 0 IIAAMO C[N@H+]1CCC[C@@H]1CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000002560260 555787680 /nfs/dbraw/zinc/78/76/80/555787680.db2.gz LBFDERUQORUFIN-QGZVFWFLSA-N 1 1 438.531 4.174 50 0 in-vivo IIAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855504 555924003 /nfs/dbraw/zinc/92/40/03/555924003.db2.gz LKHZBDSEOZENKB-HXOBKFHXSA-N 1 1 425.573 4.289 50 0 IIAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855504 555924005 /nfs/dbraw/zinc/92/40/05/555924005.db2.gz LKHZBDSEOZENKB-HXOBKFHXSA-N 1 1 425.573 4.289 50 0 IIAAMO COc1c(C)cc([C@H]2CCc3nc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)cn3C2)cc1C ZINC000034899264 555928921 /nfs/dbraw/zinc/92/89/21/555928921.db2.gz XKKFNCNJUALHDT-SFTDATJTSA-N 1 1 438.616 4.233 50 0 IIAAMO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(F)c2F)CC1)c1ccccc1 ZINC000011818224 556360450 /nfs/dbraw/zinc/36/04/50/556360450.db2.gz DXRWJICDKGOVDN-QHCPKHFHSA-N 1 1 440.494 4.325 50 0 IIAAMO COCCN(Cc1ccc(OC)c(OC)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011818838 556360455 /nfs/dbraw/zinc/36/04/55/556360455.db2.gz FRMNMIDBGBERQY-QFIPXVFZSA-N 1 1 438.612 4.032 50 0 IIAAMO CCN(CC(=O)NCc1cccs1)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000014094238 556366201 /nfs/dbraw/zinc/36/62/01/556366201.db2.gz NHVLMDGJVQYSEW-UHFFFAOYSA-N 1 1 443.642 4.108 50 0 IIAAMO COc1ccc(CN(C)Cc2ccncc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011873660 556369949 /nfs/dbraw/zinc/36/99/49/556369949.db2.gz VDQJDVBCNPTFCJ-DEOSSOPVSA-N 1 1 441.616 4.036 50 0 IIAAMO O=C(Cc1ccc2c(c1)OCO2)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011933773 556377391 /nfs/dbraw/zinc/37/73/91/556377391.db2.gz BHOBKDNBDLHGAH-HSZRJFAPSA-N 1 1 449.595 4.426 50 0 IIAAMO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC000011970730 556382609 /nfs/dbraw/zinc/38/26/09/556382609.db2.gz JBVFPNYVKKKGQJ-LJQANCHMSA-N 1 1 430.951 4.449 50 0 IIAAMO COc1ccc2cc(C[N@@H+](C)Cc3cc(=O)n4cc(Br)ccc4n3)ccc2c1 ZINC000014200841 556391496 /nfs/dbraw/zinc/39/14/96/556391496.db2.gz PCACYGAXINZAQY-UHFFFAOYSA-N 1 1 438.325 4.251 50 0 IIAAMO COc1ccc([C@@H]2c3c(n(C)c4c3[C@@H](c3ccc(OC)cc3)[N@@H+](C)CC4)CCN2C)cc1 ZINC000012436723 556404536 /nfs/dbraw/zinc/40/45/36/556404536.db2.gz LCCSPYUGQUDIOH-KAYWLYCHSA-N 1 1 431.580 4.197 50 0 IIAAMO COc1ccc([C@@H]2c3c(n(C)c4c3[C@@H](c3ccc(OC)cc3)[N@H+](C)CC4)CCN2C)cc1 ZINC000012436723 556404539 /nfs/dbraw/zinc/40/45/39/556404539.db2.gz LCCSPYUGQUDIOH-KAYWLYCHSA-N 1 1 431.580 4.197 50 0 IIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288965 556448762 /nfs/dbraw/zinc/44/87/62/556448762.db2.gz CFQTYWLQCOUWHW-JOCHJYFZSA-N 1 1 434.536 4.375 50 0 IIAAMO CCc1ccc2oc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028289040 556448848 /nfs/dbraw/zinc/44/88/48/556448848.db2.gz WXJSZRINQGVSGL-JOCHJYFZSA-N 1 1 434.536 4.321 50 0 IIAAMO COc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCCC2)cc1OC ZINC000028296054 556451463 /nfs/dbraw/zinc/45/14/63/556451463.db2.gz KNKYCCVKNXDFJN-NRFANRHFSA-N 1 1 435.524 4.316 50 0 IIAAMO S=c1sc(NC2CCCCC2)nn1CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000028706982 556459173 /nfs/dbraw/zinc/45/91/73/556459173.db2.gz CURULZMFRYZIRV-UHFFFAOYSA-N 1 1 445.658 4.129 50 0 IIAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC000014976099 556468905 /nfs/dbraw/zinc/46/89/05/556468905.db2.gz OBJROZAXIRWESC-SFHVURJKSA-N 1 1 426.561 4.332 50 0 IIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000029156006 556468958 /nfs/dbraw/zinc/46/89/58/556468958.db2.gz YZBIHHBXEZEMGW-HSZRJFAPSA-N 1 1 438.568 4.214 50 0 IIAAMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000030030294 556489981 /nfs/dbraw/zinc/48/99/81/556489981.db2.gz ZGAPJXJFOFZCSG-HSZRJFAPSA-N 1 1 446.547 4.412 50 0 IIAAMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000030030294 556489982 /nfs/dbraw/zinc/48/99/82/556489982.db2.gz ZGAPJXJFOFZCSG-HSZRJFAPSA-N 1 1 446.547 4.412 50 0 IIAAMO O=C(NC[C@H]1CCC[N@H+](C2CSCCSC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015067246 556493374 /nfs/dbraw/zinc/49/33/74/556493374.db2.gz FOCWQWKASVKLJA-MRXNPFEDSA-N 1 1 425.063 4.048 50 0 IIAAMO COc1cc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000032899233 556524899 /nfs/dbraw/zinc/52/48/99/556524899.db2.gz QDWMLDFRPUJHQS-HDICACEKSA-N 1 1 446.975 4.157 50 0 IIAAMO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000013594287 556531692 /nfs/dbraw/zinc/53/16/92/556531692.db2.gz YUYJVZYZSCLFPA-IBGZPJMESA-N 1 1 431.527 4.376 50 0 IIAAMO Cc1ccc2nc(C[N@@H+]3CC4(CCCC4)c4cc5c(cc4[C@H]3C)OCCO5)cc(=O)n2c1 ZINC000011087393 556537484 /nfs/dbraw/zinc/53/74/84/556537484.db2.gz FPBGLSDEDHPRQC-GOSISDBHSA-N 1 1 431.536 4.163 50 0 IIAAMO Cc1ccc2nc(C[N@H+]3CC4(CCCC4)c4cc5c(cc4[C@H]3C)OCCO5)cc(=O)n2c1 ZINC000011087393 556537488 /nfs/dbraw/zinc/53/74/88/556537488.db2.gz FPBGLSDEDHPRQC-GOSISDBHSA-N 1 1 431.536 4.163 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)n2)C1 ZINC000034892077 556586088 /nfs/dbraw/zinc/58/60/88/556586088.db2.gz HBYLPXKALHCSJS-QWQRMKEZSA-N 1 1 430.599 4.063 50 0 IIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)n2)C1 ZINC000034892077 556586089 /nfs/dbraw/zinc/58/60/89/556586089.db2.gz HBYLPXKALHCSJS-QWQRMKEZSA-N 1 1 430.599 4.063 50 0 IIAAMO C[N@@H+](CCCNC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1)Cc1ccccc1 ZINC000032974450 556595572 /nfs/dbraw/zinc/59/55/72/556595572.db2.gz JWYLQIYCEDJVEQ-UHFFFAOYSA-N 1 1 442.003 4.221 50 0 IIAAMO Cc1ccc(C(=O)NCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000016426823 556606827 /nfs/dbraw/zinc/60/68/27/556606827.db2.gz QJIZILFJARSUID-UHFFFAOYSA-N 1 1 441.575 4.049 50 0 IIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCN(c2ccccn2)CC1 ZINC000019110762 556700025 /nfs/dbraw/zinc/70/00/25/556700025.db2.gz FWAIJFONBIQHCY-HXUWFJFHSA-N 1 1 426.992 4.076 50 0 IIAAMO O=C(c1ccccc1C(F)(F)F)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055198234 556737264 /nfs/dbraw/zinc/73/72/64/556737264.db2.gz AEGAWARRMNYHHO-IBGZPJMESA-N 1 1 435.465 4.271 50 0 IIAAMO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c(C)o1 ZINC000055368914 556740707 /nfs/dbraw/zinc/74/07/07/556740707.db2.gz PRTGPHXDLJKNBD-HXUWFJFHSA-N 1 1 435.490 4.342 50 0 IIAAMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000058176693 556769634 /nfs/dbraw/zinc/76/96/34/556769634.db2.gz CIKWKVWWPWBXKH-HSZRJFAPSA-N 1 1 429.564 4.123 50 0 IIAAMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000058176693 556769635 /nfs/dbraw/zinc/76/96/35/556769635.db2.gz CIKWKVWWPWBXKH-HSZRJFAPSA-N 1 1 429.564 4.123 50 0 IIAAMO CCCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058266723 556776764 /nfs/dbraw/zinc/77/67/64/556776764.db2.gz SPVGHTUDFXCZAG-DEOSSOPVSA-N 1 1 437.584 4.035 50 0 IIAAMO CC(C)C[C@@H](CNC(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCOCC1 ZINC000058392780 556785038 /nfs/dbraw/zinc/78/50/38/556785038.db2.gz LRXLBLFOWQTAQN-NRFANRHFSA-N 1 1 428.602 4.242 50 0 IIAAMO C[C@@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000058954913 556793427 /nfs/dbraw/zinc/79/34/27/556793427.db2.gz PKORKFLCUDXWMW-KGLIPLIRSA-N 1 1 428.886 4.395 50 0 IIAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)[nH+]1 ZINC000065363933 556835450 /nfs/dbraw/zinc/83/54/50/556835450.db2.gz HATCBYQGMXFGRE-UHFFFAOYSA-N 1 1 430.556 4.283 50 0 IIAAMO Clc1cccc(C[N@H+]2CCC[C@@H](c3nc4c5cnn(-c6ccccc6)c5ncn4n3)C2)c1 ZINC000019639469 556836887 /nfs/dbraw/zinc/83/68/87/556836887.db2.gz VEGZBUVEJPFQCJ-GOSISDBHSA-N 1 1 443.942 4.496 50 0 IIAAMO Cc1cccc(CN2CC[N@H+](Cc3ccc(N(C)c4ccccc4)cc3)C[C@@H]2CCO)n1 ZINC000019865858 556934493 /nfs/dbraw/zinc/93/44/93/556934493.db2.gz RVLIKOJDOZDJCK-MHZLTWQESA-N 1 1 430.596 4.227 50 0 IIAAMO CC1CCN([C@@H](C[NH+]2CCC(C)CC2)CS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000019899400 556941761 /nfs/dbraw/zinc/94/17/61/556941761.db2.gz UQGLPKMBJIDDJG-DEOSSOPVSA-N 1 1 428.642 4.446 50 0 IIAAMO CSc1ccc([C@@H]2[NH+]=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000020028276 556967556 /nfs/dbraw/zinc/96/75/56/556967556.db2.gz AEJBNXWFULGOFT-JOCHJYFZSA-N 1 1 446.580 4.131 50 0 IIAAMO Brc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3n2)cc1 ZINC000020134566 556988097 /nfs/dbraw/zinc/98/80/97/556988097.db2.gz IBGVCSCPDAIATE-UHFFFAOYSA-N 1 1 425.330 4.051 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000020176536 556995166 /nfs/dbraw/zinc/99/51/66/556995166.db2.gz DPIBTYCAPATMQR-HXUWFJFHSA-N 1 1 435.549 4.207 50 0 IIAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000023181740 557045850 /nfs/dbraw/zinc/04/58/50/557045850.db2.gz QANQVIWJUCBTRP-NTKDMRAZSA-N 1 1 435.593 4.439 50 0 IIAAMO Clc1ccc(-c2cc3ncnc(NC[C@H]([C@H]4CCOC4)[NH+]4CCOCC4)c3s2)cc1 ZINC000048326452 557068842 /nfs/dbraw/zinc/06/88/42/557068842.db2.gz XDWOEZCPXKWZRE-QFBILLFUSA-N 1 1 444.988 4.161 50 0 IIAAMO CC[N@H+]1CCC[C@@H](N2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)C1 ZINC000023359879 557087669 /nfs/dbraw/zinc/08/76/69/557087669.db2.gz UUSXBMHOJNAKPE-HXUWFJFHSA-N 1 1 434.024 4.294 50 0 IIAAMO CCN1CCC[C@@H]([NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)C1 ZINC000023359879 557087671 /nfs/dbraw/zinc/08/76/71/557087671.db2.gz UUSXBMHOJNAKPE-HXUWFJFHSA-N 1 1 434.024 4.294 50 0 IIAAMO COc1ccc(C[N@@H+](Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)Cc2cccs2)cc1 ZINC000024893032 557177355 /nfs/dbraw/zinc/17/73/55/557177355.db2.gz GEHHJTGUWTZOEE-MRXNPFEDSA-N 1 1 440.594 4.163 50 0 IIAAMO CCCCCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000096562018 557203037 /nfs/dbraw/zinc/20/30/37/557203037.db2.gz VPDJBHYOCJXJRQ-VWLOTQADSA-N 1 1 449.595 4.095 50 0 IIAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1 ZINC000014755838 557228129 /nfs/dbraw/zinc/22/81/29/557228129.db2.gz KEKMITCPGSCSQD-UHFFFAOYSA-N 1 1 430.596 4.390 50 0 IIAAMO CC(C)Cc1ccc(C[N@H+]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1 ZINC000014755838 557228131 /nfs/dbraw/zinc/22/81/31/557228131.db2.gz KEKMITCPGSCSQD-UHFFFAOYSA-N 1 1 430.596 4.390 50 0 IIAAMO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)c12 ZINC000025859819 557228886 /nfs/dbraw/zinc/22/88/86/557228886.db2.gz RAIFNJGFAURKTI-UHFFFAOYSA-N 1 1 445.592 4.272 50 0 IIAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000105725904 557509962 /nfs/dbraw/zinc/50/99/62/557509962.db2.gz WUTQVQAYZPSBJV-LHSJRXKWSA-N 1 1 445.922 4.234 50 0 IIAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000105725904 557509966 /nfs/dbraw/zinc/50/99/66/557509966.db2.gz WUTQVQAYZPSBJV-LHSJRXKWSA-N 1 1 445.922 4.234 50 0 IIAAMO COCc1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)ccc1OC ZINC000012072627 557526920 /nfs/dbraw/zinc/52/69/20/557526920.db2.gz ZHVHOCHPBYTTJM-AREMUKBSSA-N 1 1 442.575 4.477 50 0 IIAAMO CN1CCCC[C@@H]1C(=O)NCCOc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000299800953 568758005 /nfs/dbraw/zinc/75/80/05/568758005.db2.gz UEAYSDLOLFPWIB-HHHXNRCGSA-N 1 1 445.607 4.451 50 0 IIAAMO CN1CCCC[C@@H]1C(=O)NCCOc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)cc1 ZINC000299800953 568758006 /nfs/dbraw/zinc/75/80/06/568758006.db2.gz UEAYSDLOLFPWIB-HHHXNRCGSA-N 1 1 445.607 4.451 50 0 IIAAMO COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000015823447 568840197 /nfs/dbraw/zinc/84/01/97/568840197.db2.gz CLPHPZTUMAJQEM-UHFFFAOYSA-N 1 1 437.359 4.316 50 0 IIAAMO COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000015823447 568840198 /nfs/dbraw/zinc/84/01/98/568840198.db2.gz CLPHPZTUMAJQEM-UHFFFAOYSA-N 1 1 437.359 4.316 50 0 IIAAMO Cc1cccc2nc(CN(C)Cc3cccc(OC[C@@H](O)C[NH+]4CCCCCC4)c3)[nH]c21 ZINC000053537541 568877068 /nfs/dbraw/zinc/87/70/68/568877068.db2.gz PSCSLHSPMBDSSY-QFIPXVFZSA-N 1 1 436.600 4.119 50 0 IIAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccccc2Br)c1 ZINC000016352094 568877501 /nfs/dbraw/zinc/87/75/01/568877501.db2.gz JQKMCRDYFYIWJW-FQEVSTJZSA-N 1 1 447.373 4.262 50 0 IIAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccccc2Br)c1 ZINC000016352094 568877503 /nfs/dbraw/zinc/87/75/03/568877503.db2.gz JQKMCRDYFYIWJW-FQEVSTJZSA-N 1 1 447.373 4.262 50 0 IIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969234 568894128 /nfs/dbraw/zinc/89/41/28/568894128.db2.gz BKGNLSHFTSZWQC-WDJPJFJCSA-N 1 1 444.959 4.361 50 0 biogenic IIAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000015969234 568894131 /nfs/dbraw/zinc/89/41/31/568894131.db2.gz BKGNLSHFTSZWQC-WDJPJFJCSA-N 1 1 444.959 4.361 50 0 biogenic IIAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c1 ZINC000245312849 568914718 /nfs/dbraw/zinc/91/47/18/568914718.db2.gz XXAKPPYKBYUAGJ-GSPCLOLRSA-N 1 1 428.532 4.434 50 0 IIAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@H](O)COc3ccccc3)n2)cc1 ZINC000036147592 568962509 /nfs/dbraw/zinc/96/25/09/568962509.db2.gz SNXWKEXLHJSYGH-NRFANRHFSA-N 1 1 433.508 4.123 50 0 IIAAMO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000064820223 568967047 /nfs/dbraw/zinc/96/70/47/568967047.db2.gz QXDGJTWLGHZQIB-GFCCVEGCSA-N 1 1 426.380 4.326 50 0 IIAAMO COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](Cc4ccc(F)cc4)C[C@@H]23)c1 ZINC000169677783 568989702 /nfs/dbraw/zinc/98/97/02/568989702.db2.gz HKHRVFDJYYDLOV-AHWVRZQESA-N 1 1 445.538 4.336 50 0 IIAAMO CC(C)c1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCCC3)C3CCCC3)CC2)cc1 ZINC000036310664 568996604 /nfs/dbraw/zinc/99/66/04/568996604.db2.gz CFYVMCXSPZOQGJ-QHCPKHFHSA-N 1 1 426.605 4.141 50 0 IIAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036310796 568996902 /nfs/dbraw/zinc/99/69/02/568996902.db2.gz DNMYJZKMTWDWQR-NZQKXSOJSA-N 1 1 426.605 4.104 50 0 IIAAMO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(ccn4CC[NH+]4CCOCC4)c3)cc2)n1 ZINC000065316435 569134215 /nfs/dbraw/zinc/13/42/15/569134215.db2.gz PQRPRUVMLSMKBH-UHFFFAOYSA-N 1 1 443.551 4.028 50 0 IIAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000065322233 569136573 /nfs/dbraw/zinc/13/65/73/569136573.db2.gz BZCNTEOCIHFIHP-UHFFFAOYSA-N 1 1 436.556 4.458 50 0 IIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1)Nc1cccc(F)c1 ZINC000089779335 569162793 /nfs/dbraw/zinc/16/27/93/569162793.db2.gz BYCCIOMJJFAVHW-YKSBVNFPSA-N 1 1 441.547 4.417 50 0 IIAAMO CCCCn1c(CN(C)C[C@H]2CC[N@H+](C(C)C)C2)cnc1S(=O)(=O)CCCC(C)C ZINC000019336754 569318575 /nfs/dbraw/zinc/31/85/75/569318575.db2.gz AOULSADADSVCAY-OAQYLSRUSA-N 1 1 440.698 4.055 50 0 IIAAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)c1ccsc1 ZINC000078967650 569320575 /nfs/dbraw/zinc/32/05/75/569320575.db2.gz QTBSIYIGUZTCGQ-KRWDZBQOSA-N 1 1 431.421 4.013 50 0 IIAAMO COc1ccc([C@H]2[C@@H](COC(=O)c3cc(N4CCOC4=O)ccc3F)CCC[N@H+]2C)cc1 ZINC000078988995 569321485 /nfs/dbraw/zinc/32/14/85/569321485.db2.gz WNDXHJZUXMJBKW-VGSWGCGISA-N 1 1 442.487 4.031 50 0 IIAAMO CO[C@H](C)c1nc(CN2CCC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)CC2)cs1 ZINC000079053168 569323553 /nfs/dbraw/zinc/32/35/53/569323553.db2.gz ZBKKSPNZLDLTIY-MRXNPFEDSA-N 1 1 437.009 4.040 50 0 IIAAMO CCCCc1ccc2[nH]c(C)c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 ZINC000019793320 569329463 /nfs/dbraw/zinc/32/94/63/569329463.db2.gz UBNTTWXKHQZWFZ-UHFFFAOYSA-N 1 1 447.579 4.226 50 0 IIAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020284077 569358909 /nfs/dbraw/zinc/35/89/09/569358909.db2.gz HJDYSJLIBXYCGH-HSZRJFAPSA-N 1 1 437.540 4.286 50 0 IIAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020284077 569358912 /nfs/dbraw/zinc/35/89/12/569358912.db2.gz HJDYSJLIBXYCGH-HSZRJFAPSA-N 1 1 437.540 4.286 50 0 IIAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020284077 569358914 /nfs/dbraw/zinc/35/89/14/569358914.db2.gz HJDYSJLIBXYCGH-HSZRJFAPSA-N 1 1 437.540 4.286 50 0 IIAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020284077 569358916 /nfs/dbraw/zinc/35/89/16/569358916.db2.gz HJDYSJLIBXYCGH-HSZRJFAPSA-N 1 1 437.540 4.286 50 0 IIAAMO Cc1cc2[nH]c(C(=O)Nc3ccccc3Br)c(C[NH+]3CCOCC3)c2s1 ZINC000096363813 569397763 /nfs/dbraw/zinc/39/77/63/569397763.db2.gz PFFFYHZWABWBRX-UHFFFAOYSA-N 1 1 434.359 4.385 50 0 IIAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096457210 569400782 /nfs/dbraw/zinc/40/07/82/569400782.db2.gz FUUKPPZRNLTKLV-AZGAKELHSA-N 1 1 447.529 4.144 50 0 IIAAMO CCCCOc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000029882432 569437539 /nfs/dbraw/zinc/43/75/39/569437539.db2.gz HKJUKLRZDALYLP-ZRDIBKRKSA-N 1 1 438.568 4.036 50 0 IIAAMO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000057536243 569439494 /nfs/dbraw/zinc/43/94/94/569439494.db2.gz ZFEWDPAJNNOVCY-RPWUZVMVSA-N 1 1 431.580 4.375 50 0 IIAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccncc2)N2CC[NH+](C)CC2)c1C ZINC000038546746 569463710 /nfs/dbraw/zinc/46/37/10/569463710.db2.gz XRQKAJNCMIFKMN-HXUWFJFHSA-N 1 1 426.611 4.411 50 0 IIAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)N1CCN(C(=O)c2cccs2)CC1 ZINC000008748388 569473220 /nfs/dbraw/zinc/47/32/20/569473220.db2.gz CVPUXMXKXTUBPQ-UHFFFAOYSA-N 1 1 443.588 4.007 50 0 IIAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)cc2)cc1 ZINC000009076654 569500383 /nfs/dbraw/zinc/50/03/83/569500383.db2.gz YQBSROYPHJZFRU-DEOSSOPVSA-N 1 1 446.551 4.452 50 0 IIAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3cccn3C)cc2)cc1 ZINC000009076654 569500384 /nfs/dbraw/zinc/50/03/84/569500384.db2.gz YQBSROYPHJZFRU-DEOSSOPVSA-N 1 1 446.551 4.452 50 0 IIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](C)O)C[C@H]1CCCO1 ZINC000245281384 569502102 /nfs/dbraw/zinc/50/21/02/569502102.db2.gz YCSXVLAKFBACGQ-FDDCHVKYSA-N 1 1 439.531 4.474 50 0 IIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](C)O)C[C@H]1CCCO1 ZINC000245281384 569502103 /nfs/dbraw/zinc/50/21/03/569502103.db2.gz YCSXVLAKFBACGQ-FDDCHVKYSA-N 1 1 439.531 4.474 50 0 IIAAMO CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OCC)CC1 ZINC000009265339 569517362 /nfs/dbraw/zinc/51/73/62/569517362.db2.gz SGUQBZKYENFYCS-UHFFFAOYSA-N 1 1 435.524 4.252 50 0 IIAAMO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000009376680 569527384 /nfs/dbraw/zinc/52/73/84/569527384.db2.gz QRJGITWDKIUKRE-UHFFFAOYSA-N 1 1 426.520 4.419 50 0 IIAAMO Cc1cc(C)n(CC[N@H+]2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)n1 ZINC000077196857 569586189 /nfs/dbraw/zinc/58/61/89/569586189.db2.gz PBCYRBNHZHNAAA-UHFFFAOYSA-N 1 1 429.008 4.200 50 0 IIAAMO c1sc2ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1-c1ccccc1 ZINC000002680134 132256092 /nfs/dbraw/zinc/25/60/92/132256092.db2.gz FXRGSKPWJYIIFS-UHFFFAOYSA-N 1 1 430.533 4.409 50 0 IIAAMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009118054 132304338 /nfs/dbraw/zinc/30/43/38/132304338.db2.gz GAKFTUPSAHANAC-OAQYLSRUSA-N 1 1 440.632 4.119 50 0 IIAAMO O=C(CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccc(F)c(F)c1 ZINC000012946777 132340968 /nfs/dbraw/zinc/34/09/68/132340968.db2.gz KFVYZFGNXQGKPZ-UHFFFAOYSA-N 1 1 448.823 4.183 50 0 IIAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000035991207 520512760 /nfs/dbraw/zinc/51/27/60/520512760.db2.gz NHSDYGIVGMPOFP-LJQANCHMSA-N 1 1 440.371 4.383 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020494707 521369881 /nfs/dbraw/zinc/36/98/81/521369881.db2.gz MHDXUMMTFHBYOU-IRXDYDNUSA-N 1 1 430.570 4.338 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CN1CC[NH+](C)CC1 ZINC000022804173 521370638 /nfs/dbraw/zinc/37/06/38/521370638.db2.gz FQXCPKGLVHSAEQ-UHFFFAOYSA-N 1 1 443.613 4.075 50 0 IIAAMO CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2c(C)nc3sccn23)C[C@@]1(C)CO ZINC000020996783 521730286 /nfs/dbraw/zinc/73/02/86/521730286.db2.gz ZBDQJTUPFMVPFR-AGHHOFFYSA-N 1 1 433.021 4.281 50 0 IIAAMO CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2c(C)nc3sccn23)C[C@@]1(C)CO ZINC000020996783 521730287 /nfs/dbraw/zinc/73/02/87/521730287.db2.gz ZBDQJTUPFMVPFR-AGHHOFFYSA-N 1 1 433.021 4.281 50 0 IIAAMO CCc1cccc2c([C@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccccc3OC)c[nH]c21 ZINC000035908368 521795055 /nfs/dbraw/zinc/79/50/55/521795055.db2.gz WDRVVXIUTRQZST-HSZRJFAPSA-N 1 1 449.595 4.099 50 0 IIAAMO C[NH+](C)[C@@H](CNC(=O)COc1ccc(F)cc1Br)c1ccccc1Cl ZINC000012910283 522013193 /nfs/dbraw/zinc/01/31/93/522013193.db2.gz CENNOSCRNMMDKQ-INIZCTEOSA-N 1 1 429.717 4.040 50 0 IIAAMO C[NH+](C)[C@H](CNC(=O)COc1ccc(F)cc1Br)c1ccccc1Cl ZINC000012910288 522072665 /nfs/dbraw/zinc/07/26/65/522072665.db2.gz CENNOSCRNMMDKQ-MRXNPFEDSA-N 1 1 429.717 4.040 50 0 IIAAMO COc1cc(Cl)c(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cc1OC ZINC000012582592 522519955 /nfs/dbraw/zinc/51/99/55/522519955.db2.gz ZGUMIQVDDKJTDA-QFIPXVFZSA-N 1 1 425.903 4.453 50 0 IIAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cc1OC ZINC000012582592 522519966 /nfs/dbraw/zinc/51/99/66/522519966.db2.gz ZGUMIQVDDKJTDA-QFIPXVFZSA-N 1 1 425.903 4.453 50 0 IIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000035807522 522934634 /nfs/dbraw/zinc/93/46/34/522934634.db2.gz BKGNLSHFTSZWQC-IEXUWNMDSA-N 1 1 444.959 4.361 50 0 IIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000035807522 522934647 /nfs/dbraw/zinc/93/46/47/522934647.db2.gz BKGNLSHFTSZWQC-IEXUWNMDSA-N 1 1 444.959 4.361 50 0 IIAAMO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CCC(=O)c1ccccc1 ZINC000012464742 523687335 /nfs/dbraw/zinc/68/73/35/523687335.db2.gz MXRHNGKFBCCMMH-UHFFFAOYSA-N 1 1 440.559 4.176 50 0 IIAAMO COCCN(Cc1cccc(-n2cccn2)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012758550 523752461 /nfs/dbraw/zinc/75/24/61/523752461.db2.gz RDLPWQIOKRQVNF-XMMPIXPASA-N 1 1 444.623 4.200 50 0 IIAAMO COCCN(Cc1cccc(-n2cccn2)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012758550 523752468 /nfs/dbraw/zinc/75/24/68/523752468.db2.gz RDLPWQIOKRQVNF-XMMPIXPASA-N 1 1 444.623 4.200 50 0 IIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3nccn3-c3ccc(OC)cc3)C2)cc1 ZINC000012305550 523948918 /nfs/dbraw/zinc/94/89/18/523948918.db2.gz MSXOGDVODIPYEA-HSZRJFAPSA-N 1 1 448.611 4.276 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)c(OC)c1 ZINC000012385840 524048198 /nfs/dbraw/zinc/04/81/98/524048198.db2.gz YXBWQODCFLSJOZ-LJQANCHMSA-N 1 1 435.568 4.494 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)c(OC)c1 ZINC000012716298 524048345 /nfs/dbraw/zinc/04/83/45/524048345.db2.gz VVQHLAYSHQSJDG-HXUWFJFHSA-N 1 1 438.568 4.215 50 0 IIAAMO COc1ccccc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000020686625 524446725 /nfs/dbraw/zinc/44/67/25/524446725.db2.gz CWBVYSVMGATHOX-OHUGHZGNSA-N 1 1 449.595 4.162 50 0 IIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000021857861 524625115 /nfs/dbraw/zinc/62/51/15/524625115.db2.gz NOAQCCGQBISMRU-QFIPXVFZSA-N 1 1 432.524 4.062 50 0 IIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000021857861 524625122 /nfs/dbraw/zinc/62/51/22/524625122.db2.gz NOAQCCGQBISMRU-QFIPXVFZSA-N 1 1 432.524 4.062 50 0 IIAAMO Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000012212438 525002505 /nfs/dbraw/zinc/00/25/05/525002505.db2.gz SDSAAMPKFKMNHO-QHCPKHFHSA-N 1 1 429.568 4.327 50 0 IIAAMO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NC[C@H](c4ccco4)[NH+](C)C)cc3)ccc12 ZINC000021903010 526151181 /nfs/dbraw/zinc/15/11/81/526151181.db2.gz FMUNQQKQIVZDJN-JOCHJYFZSA-N 1 1 446.503 4.306 50 0 IIAAMO O=C(CC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020450821 526554149 /nfs/dbraw/zinc/55/41/49/526554149.db2.gz GYOBSGHUCWVBFJ-MHZLTWQESA-N 1 1 433.640 4.456 50 0 IIAAMO O=C1NC2(CC[NH+](Cc3cccc(Cl)c3)CC2)N=C1c1ccc(Br)cc1 ZINC000035430898 527060170 /nfs/dbraw/zinc/06/01/70/527060170.db2.gz GFAJFJVAKLCHRD-UHFFFAOYSA-N 1 1 432.749 4.014 50 0 IIAAMO O=C(CSc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012765133 527068143 /nfs/dbraw/zinc/06/81/43/527068143.db2.gz JEPINZTXJNGTAZ-OAHLLOKOSA-N 1 1 429.895 4.237 50 0 IIAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@H+]1Cc1ccc(OCCO)cc1 ZINC000012436013 527251736 /nfs/dbraw/zinc/25/17/36/527251736.db2.gz JZRVELCAXWJUOL-DEOSSOPVSA-N 1 1 447.535 4.238 50 0 IIAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCO)cc1 ZINC000012436013 527251740 /nfs/dbraw/zinc/25/17/40/527251740.db2.gz JZRVELCAXWJUOL-DEOSSOPVSA-N 1 1 447.535 4.238 50 0 IIAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000012304218 527433323 /nfs/dbraw/zinc/43/33/23/527433323.db2.gz VFQDVWHRCKPIHH-QGZVFWFLSA-N 1 1 429.611 4.373 50 0 IIAAMO O=c1nc(CN2CC[NH+](Cc3ccccc3)CC2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000022833581 527437904 /nfs/dbraw/zinc/43/79/04/527437904.db2.gz XGYAJAAEPSNGDA-UHFFFAOYSA-N 1 1 434.540 4.109 50 0 IIAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020907222 527685593 /nfs/dbraw/zinc/68/55/93/527685593.db2.gz CPMNBWAOYAQANL-HXUWFJFHSA-N 1 1 445.489 4.028 50 0 IIAAMO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020907222 527685596 /nfs/dbraw/zinc/68/55/96/527685596.db2.gz CPMNBWAOYAQANL-HXUWFJFHSA-N 1 1 445.489 4.028 50 0 IIAAMO COc1cccc(-c2nc3ccccc3c(N3CC[NH+](Cc4ccccc4)CC3)n2)c1O ZINC000001297627 537069560 /nfs/dbraw/zinc/06/95/60/537069560.db2.gz BVSWXCCGGDFPOR-UHFFFAOYSA-N 1 1 426.520 4.333 50 0 IIAAMO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c(OC)c1 ZINC000009585704 555591744 /nfs/dbraw/zinc/59/17/44/555591744.db2.gz ZYMYUMITYWHVDK-DUMMIQTOSA-N 1 1 437.483 4.210 50 0 IIAAMO O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000034711098 555824119 /nfs/dbraw/zinc/82/41/19/555824119.db2.gz CDVZHNAGNRTIEH-RPWUZVMVSA-N 1 1 428.532 4.337 50 0 IIAAMO COc1ccc([C@H]2C[N@@H+](Cc3cccn3C)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699351 555832075 /nfs/dbraw/zinc/83/20/75/555832075.db2.gz WATQNWWNWFVCAS-YIXXDRMTSA-N 1 1 449.570 4.437 50 0 IIAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@H]1c1cccc(OC)c1 ZINC000034740343 555883639 /nfs/dbraw/zinc/88/36/39/555883639.db2.gz YVUQNKYKMZJWHZ-GMAHTHKFSA-N 1 1 444.641 4.412 50 0 IIAAMO C[C@H]1C[C@H](N2CCN(Cc3ccc(Br)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000097377125 556132139 /nfs/dbraw/zinc/13/21/39/556132139.db2.gz RZZYJTLEPWZAAW-WMZHIEFXSA-N 1 1 443.433 4.015 50 0 IIAAMO Cc1cccn2c(=O)cc(C[N@H+](C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)nc12 ZINC000032547960 556287498 /nfs/dbraw/zinc/28/74/98/556287498.db2.gz IWOKHRAMPXZGNS-UHFFFAOYSA-N 1 1 435.531 4.488 50 0 IIAAMO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)nc12 ZINC000032547960 556287500 /nfs/dbraw/zinc/28/75/00/556287500.db2.gz IWOKHRAMPXZGNS-UHFFFAOYSA-N 1 1 435.531 4.488 50 0 IIAAMO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c1C ZINC000009830260 556310404 /nfs/dbraw/zinc/31/04/04/556310404.db2.gz FBNGCIPQCXPZJX-IBGZPJMESA-N 1 1 439.600 4.187 50 0 IIAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000009933887 556317327 /nfs/dbraw/zinc/31/73/27/556317327.db2.gz BCPYIWXLHODRTD-XMMPIXPASA-N 1 1 436.552 4.071 50 0 IIAAMO COc1ccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011698552 556346831 /nfs/dbraw/zinc/34/68/31/556346831.db2.gz RXAMPQMIJXZLCC-HXUWFJFHSA-N 1 1 430.564 4.238 50 0 IIAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)c1 ZINC000011817446 556359994 /nfs/dbraw/zinc/35/99/94/556359994.db2.gz MHQKFKXPZLTYQA-FQEVSTJZSA-N 1 1 433.552 4.009 50 0 IIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](CN3CCCC3=O)C2)c1 ZINC000011955783 556380742 /nfs/dbraw/zinc/38/07/42/556380742.db2.gz VNDCFUXOEGBJQM-NRFANRHFSA-N 1 1 444.579 4.382 50 0 IIAAMO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1Cl ZINC000014196507 556387945 /nfs/dbraw/zinc/38/79/45/556387945.db2.gz BULYKOTUPQRBIV-OAQYLSRUSA-N 1 1 428.964 4.003 50 0 IIAAMO Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(C[NH+]4C[C@H](C)C[C@@H](C)C4)cs3)ccc12 ZINC000014529206 556419932 /nfs/dbraw/zinc/41/99/32/556419932.db2.gz KUCSEJFDURXLBL-HUUCEWRRSA-N 1 1 441.553 4.053 50 0 IIAAMO Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cs3)ccc12 ZINC000014529208 556420005 /nfs/dbraw/zinc/42/00/05/556420005.db2.gz KUCSEJFDURXLBL-GASCZTMLSA-N 1 1 441.553 4.053 50 0 IIAAMO Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cs3)ccc12 ZINC000014529208 556420008 /nfs/dbraw/zinc/42/00/08/556420008.db2.gz KUCSEJFDURXLBL-GASCZTMLSA-N 1 1 441.553 4.053 50 0 IIAAMO CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000012975827 556421406 /nfs/dbraw/zinc/42/14/06/556421406.db2.gz BPWUXMWFRBVIGL-IBGZPJMESA-N 1 1 427.476 4.418 50 0 IIAAMO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028288222 556448157 /nfs/dbraw/zinc/44/81/57/556448157.db2.gz VRWNRFVLSNTMPA-OAHLLOKOSA-N 1 1 447.354 4.184 50 0 IIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2ccccc2)CCO3)C1 ZINC000014958908 556463498 /nfs/dbraw/zinc/46/34/98/556463498.db2.gz RBICZGAHVDWGTG-XMMPIXPASA-N 1 1 435.612 4.162 50 0 IIAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@H]1CCCc2ccccc21 ZINC000013117910 556471101 /nfs/dbraw/zinc/47/11/01/556471101.db2.gz RDQPKEVCDRGJSB-IBGZPJMESA-N 1 1 429.446 4.234 50 0 IIAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H]1CCc2ccccc21 ZINC000029482791 556476518 /nfs/dbraw/zinc/47/65/18/556476518.db2.gz OXZLGLBECGVQNC-FQEVSTJZSA-N 1 1 433.474 4.100 50 0 IIAAMO CC[N@H+]1CCC[C@@H]1CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000013134863 556482968 /nfs/dbraw/zinc/48/29/68/556482968.db2.gz RCEUGFHXENKGFA-LJQANCHMSA-N 1 1 437.613 4.087 50 0 IIAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)CC2 ZINC000013147994 556489381 /nfs/dbraw/zinc/48/93/81/556489381.db2.gz KQJMRZOIRHOQNU-DEOSSOPVSA-N 1 1 433.548 4.229 50 0 IIAAMO COC(=O)c1ccccc1C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000015068127 556493846 /nfs/dbraw/zinc/49/38/46/556493846.db2.gz KIVLDCJOCHPCRW-IBGZPJMESA-N 1 1 428.960 4.153 50 0 IIAAMO CC(=O)c1ccc(N2CCN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)CC2)cc1 ZINC000015165074 556507290 /nfs/dbraw/zinc/50/72/90/556507290.db2.gz HRHQNNYENXXWTH-UHFFFAOYSA-N 1 1 449.624 4.433 50 0 IIAAMO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000013551833 556515230 /nfs/dbraw/zinc/51/52/30/556515230.db2.gz SGGCTDDEVLJPJE-HXUWFJFHSA-N 1 1 427.342 4.036 50 0 IIAAMO CCc1nnc2c(NCCC[N@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)nc3ccccc3n12 ZINC000036370585 556597225 /nfs/dbraw/zinc/59/72/25/556597225.db2.gz TYMWHFTVRWQVGA-HXUWFJFHSA-N 1 1 443.599 4.161 50 0 IIAAMO CC[C@@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C)cc1 ZINC000016422305 556606368 /nfs/dbraw/zinc/60/63/68/556606368.db2.gz GQFZKZNCFGGGFW-HXUWFJFHSA-N 1 1 434.506 4.188 50 0 IIAAMO CC[C@@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C)cc1 ZINC000016422305 556606371 /nfs/dbraw/zinc/60/63/71/556606371.db2.gz GQFZKZNCFGGGFW-HXUWFJFHSA-N 1 1 434.506 4.188 50 0 IIAAMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000016422300 556606390 /nfs/dbraw/zinc/60/63/90/556606390.db2.gz UXWHQOYVNMILAR-GOSISDBHSA-N 1 1 434.506 4.107 50 0 IIAAMO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000016422300 556606392 /nfs/dbraw/zinc/60/63/92/556606392.db2.gz UXWHQOYVNMILAR-GOSISDBHSA-N 1 1 434.506 4.107 50 0 IIAAMO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000252671671 556694232 /nfs/dbraw/zinc/69/42/32/556694232.db2.gz NXYNKVNHFOSILY-NHCUHLMSSA-N 1 1 434.584 4.439 50 0 IIAAMO C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000252671671 556694235 /nfs/dbraw/zinc/69/42/35/556694235.db2.gz NXYNKVNHFOSILY-NHCUHLMSSA-N 1 1 434.584 4.439 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)cc1OC ZINC000019336285 556738521 /nfs/dbraw/zinc/73/85/21/556738521.db2.gz RHRYVKJUMLHBML-QFIPXVFZSA-N 1 1 428.621 4.237 50 0 IIAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1OC ZINC000057243096 556746924 /nfs/dbraw/zinc/74/69/24/556746924.db2.gz KIQOSLIQJCBFCF-UHFFFAOYSA-N 1 1 449.526 4.417 50 0 IIAAMO O=C(C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)Nc1ccnn1C1CCCC1 ZINC000058159854 556764150 /nfs/dbraw/zinc/76/41/50/556764150.db2.gz AZQGFJWBXHVVNW-KRWDZBQOSA-N 1 1 438.507 4.005 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)Nc1ccnn1C1CCCC1 ZINC000058159854 556764153 /nfs/dbraw/zinc/76/41/53/556764153.db2.gz AZQGFJWBXHVVNW-KRWDZBQOSA-N 1 1 438.507 4.005 50 0 IIAAMO Cc1cc(C(=O)C[NH+]2CCC(C(N)=O)CC2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000058176695 556769724 /nfs/dbraw/zinc/76/97/24/556769724.db2.gz LFLRTFIAUBMVET-UHFFFAOYSA-N 1 1 429.564 4.123 50 0 IIAAMO Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058247315 556775508 /nfs/dbraw/zinc/77/55/08/556775508.db2.gz YHGUMOYCEQJFHK-ILBGXUMGSA-N 1 1 433.596 4.018 50 0 IIAAMO CC(C)C[C@H](CNC(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCOCC1 ZINC000058392782 556785030 /nfs/dbraw/zinc/78/50/30/556785030.db2.gz LRXLBLFOWQTAQN-OAQYLSRUSA-N 1 1 428.602 4.242 50 0 IIAAMO COc1ccccc1NC(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1 ZINC000065362817 556834649 /nfs/dbraw/zinc/83/46/49/556834649.db2.gz UAPNLOIFLVBDAQ-UHFFFAOYSA-N 1 1 432.528 4.200 50 0 IIAAMO COCc1ncc(C[N@H+]2CC[C@H](c3ccnc(-c4ccc(-c5cc[nH]n5)cc4)c3)C2)cn1 ZINC000065409596 556836106 /nfs/dbraw/zinc/83/61/06/556836106.db2.gz GLDKBGVCNCKRTI-QFIPXVFZSA-N 1 1 426.524 4.065 50 0 IIAAMO COc1cc2cc(C[N@H+]3CCC[C@H]3C(N)=O)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072481403 556973665 /nfs/dbraw/zinc/97/36/65/556973665.db2.gz HTRITWSIFFUKIG-IBGZPJMESA-N 1 1 425.916 4.022 50 0 IIAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000020385640 557012403 /nfs/dbraw/zinc/01/24/03/557012403.db2.gz SWNVBMMLMFOXKX-NRFANRHFSA-N 1 1 436.581 4.274 50 0 IIAAMO Cc1ccc(NC(=O)Cc2nc(CN3CC[NH+](Cc4cccs4)CC3)cs2)cc1 ZINC000022925621 557048699 /nfs/dbraw/zinc/04/86/99/557048699.db2.gz XYYOSRILIXUMAT-UHFFFAOYSA-N 1 1 426.611 4.012 50 0 IIAAMO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022931220 557050067 /nfs/dbraw/zinc/05/00/67/557050067.db2.gz RYUKMAXXHANESL-UHFFFAOYSA-N 1 1 428.385 4.210 50 0 IIAAMO Cc1cccn2c(=O)cc(C[N@H+](C)[C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)nc12 ZINC000022969717 557055193 /nfs/dbraw/zinc/05/51/93/557055193.db2.gz ILIWKDIWZNFNPE-IBGZPJMESA-N 1 1 426.520 4.448 50 0 IIAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000023145451 557068234 /nfs/dbraw/zinc/06/82/34/557068234.db2.gz WAUKMIDDXCQJPJ-DQEYMECFSA-N 1 1 435.612 4.301 50 0 IIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000023145448 557068275 /nfs/dbraw/zinc/06/82/75/557068275.db2.gz WAUKMIDDXCQJPJ-RPBOFIJWSA-N 1 1 435.612 4.301 50 0 IIAAMO O=C(CCc1nc(-c2cccs2)no1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000023193061 557072362 /nfs/dbraw/zinc/07/23/62/557072362.db2.gz ZOCKBISFOWTKOX-UHFFFAOYSA-N 1 1 430.961 4.119 50 0 IIAAMO O=C(CCc1nc(-c2cccs2)no1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000023193061 557072364 /nfs/dbraw/zinc/07/23/64/557072364.db2.gz ZOCKBISFOWTKOX-UHFFFAOYSA-N 1 1 430.961 4.119 50 0 IIAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000023339700 557085556 /nfs/dbraw/zinc/08/55/56/557085556.db2.gz LBSKZTXUDXMPBZ-FQEVSTJZSA-N 1 1 447.604 4.326 50 0 IIAAMO CC[N@@H+]1CCc2nc(NC(=O)C3CCN(C(=O)c4cccc5ccccc54)CC3)sc2C1 ZINC000049581029 557116254 /nfs/dbraw/zinc/11/62/54/557116254.db2.gz DUFCRFOWJFWYCJ-UHFFFAOYSA-N 1 1 448.592 4.165 50 0 IIAAMO CC[N@H+]1CCc2nc(NC(=O)C3CCN(C(=O)c4cccc5ccccc54)CC3)sc2C1 ZINC000049581029 557116255 /nfs/dbraw/zinc/11/62/55/557116255.db2.gz DUFCRFOWJFWYCJ-UHFFFAOYSA-N 1 1 448.592 4.165 50 0 IIAAMO O=C([C@@H](c1ccccc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCCC1 ZINC000014077706 557300535 /nfs/dbraw/zinc/30/05/35/557300535.db2.gz GNSOOBUSHOLPIK-JOCHJYFZSA-N 1 1 446.517 4.366 50 0 IIAAMO C[C@@H](SCC[N@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1)c1cn(-c2ccccc2)nn1 ZINC000408516885 557411912 /nfs/dbraw/zinc/41/19/12/557411912.db2.gz QBEBMDGJNKEOEX-RBUKOAKNSA-N 1 1 433.585 4.335 50 0 IIAAMO C[C@@H](SCC[N@@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1)c1cn(-c2ccccc2)nn1 ZINC000408516885 557411916 /nfs/dbraw/zinc/41/19/16/557411916.db2.gz QBEBMDGJNKEOEX-RBUKOAKNSA-N 1 1 433.585 4.335 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050988 557474756 /nfs/dbraw/zinc/47/47/56/557474756.db2.gz PEYPYEUNCXYNSV-ZJSXRUAMSA-N 1 1 430.564 4.382 50 0 IIAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012042140 557525427 /nfs/dbraw/zinc/52/54/27/557525427.db2.gz OXKAHCNZPABTOH-YDPLAMGBSA-N 1 1 447.583 4.350 50 0 IIAAMO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)C(=O)Nc1ccccc1Sc1ccccc1)CC2 ZINC000106916171 557533504 /nfs/dbraw/zinc/53/35/04/557533504.db2.gz CWMJUDKHKGHCSU-SXSPYAJSSA-N 1 1 440.609 4.417 50 0 IIAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)n1 ZINC000109041958 557545655 /nfs/dbraw/zinc/54/56/55/557545655.db2.gz GVNMHVVYSJLPOU-BJKOFHAPSA-N 1 1 445.563 4.147 50 0 IIAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccn3-c3cccnc3)[N@H+]3CCC[C@@]123 ZINC000013595306 562996646 /nfs/dbraw/zinc/99/66/46/562996646.db2.gz FNWFEIKJROTDLD-QXWFJRNPSA-N 1 1 432.955 4.464 50 0 IIAAMO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc2ccccc2n1 ZINC000015076665 568636313 /nfs/dbraw/zinc/63/63/13/568636313.db2.gz RNNKBRLICDAYKR-NRFANRHFSA-N 1 1 448.586 4.290 50 0 IIAAMO CCOc1cc(CNCC2([NH+](C)C)CCCCC2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000025357851 568654195 /nfs/dbraw/zinc/65/41/95/568654195.db2.gz CSLPJBBKXLPVDD-UHFFFAOYSA-N 1 1 447.664 4.464 50 0 IIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676914 568804337 /nfs/dbraw/zinc/80/43/37/568804337.db2.gz IRPNTOWSVUFMNQ-HXUWFJFHSA-N 1 1 433.600 4.085 50 0 IIAAMO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015681660 568806771 /nfs/dbraw/zinc/80/67/71/568806771.db2.gz TUUIQKJNNJRCAO-UHFFFAOYSA-N 1 1 443.526 4.069 50 0 IIAAMO CC(C)Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517393 568876661 /nfs/dbraw/zinc/87/66/61/568876661.db2.gz HNXNDNKUTMDFBQ-HSZRJFAPSA-N 1 1 434.565 4.434 50 0 IIAAMO Cc1c(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1-c1cc[nH+]cc1 ZINC000089545059 568936913 /nfs/dbraw/zinc/93/69/13/568936913.db2.gz SOUIAWMAEYWTQQ-GXTWGEPZSA-N 1 1 447.322 4.305 50 0 IIAAMO CCN(CC)c1ccc(-c2nc3sc(N4CC[NH+](C)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064748086 568950645 /nfs/dbraw/zinc/95/06/45/568950645.db2.gz NDBSJYRVVBOPLD-UHFFFAOYSA-N 1 1 441.649 4.266 50 0 IIAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c(C)c1 ZINC000064801356 568961049 /nfs/dbraw/zinc/96/10/49/568961049.db2.gz GDVAVNINHXDINP-UHFFFAOYSA-N 1 1 448.527 4.326 50 0 IIAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801611 568961526 /nfs/dbraw/zinc/96/15/26/568961526.db2.gz JVZDUFWNCQHFCP-UHFFFAOYSA-N 1 1 440.454 4.287 50 0 IIAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COC(C)C)C2)cc1 ZINC000036146214 568962019 /nfs/dbraw/zinc/96/20/19/568962019.db2.gz UIFVZWRJBBORRM-GMAHTHKFSA-N 1 1 446.975 4.130 50 0 IIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146126 568962259 /nfs/dbraw/zinc/96/22/59/568962259.db2.gz VDEXVGMLLYYPSC-VXKWHMMOSA-N 1 1 434.939 4.260 50 0 IIAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@@H](O)COc3ccccc3)n2)cc1 ZINC000036147595 568962493 /nfs/dbraw/zinc/96/24/93/568962493.db2.gz SNXWKEXLHJSYGH-OAQYLSRUSA-N 1 1 433.508 4.123 50 0 IIAAMO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000064820208 568967110 /nfs/dbraw/zinc/96/71/10/568967110.db2.gz OXFJWSXUQGJENV-GFCCVEGCSA-N 1 1 426.380 4.468 50 0 IIAAMO CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677192 568989412 /nfs/dbraw/zinc/98/94/12/568989412.db2.gz UAIBOGHGWSUOOW-UNMCSNQZSA-N 1 1 449.492 4.232 50 0 IIAAMO O=C(NCc1cccc(F)c1)[C@@H]1Cc2ccccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000169679295 568990871 /nfs/dbraw/zinc/99/08/71/568990871.db2.gz ZMINZEFTLSFHMP-VPUSJEBWSA-N 1 1 443.566 4.048 50 0 IIAAMO CCC[C@H](O)C[N@@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036309377 568995915 /nfs/dbraw/zinc/99/59/15/568995915.db2.gz MHHOBLVUYIZPRQ-UNMCSNQZSA-N 1 1 444.641 4.353 50 0 IIAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346645 569081444 /nfs/dbraw/zinc/08/14/44/569081444.db2.gz CFNGMVSIQILMIM-NRFANRHFSA-N 1 1 445.510 4.469 50 0 IIAAMO COc1ccc(-c2cc(C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)c3cnn(C)c3n2)cc1 ZINC000036613290 569123771 /nfs/dbraw/zinc/12/37/71/569123771.db2.gz TXWFTCRIQOKTIO-UHFFFAOYSA-N 1 1 438.491 4.390 50 0 IIAAMO C[NH+](C)Cc1ccc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1Br ZINC000170604614 569143626 /nfs/dbraw/zinc/14/36/26/569143626.db2.gz PHZGLSVBLDLGLE-UHFFFAOYSA-N 1 1 431.309 4.017 50 0 IIAAMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Br)o1 ZINC000089702563 569161895 /nfs/dbraw/zinc/16/18/95/569161895.db2.gz ARICPHQRPNDGQN-INIZCTEOSA-N 1 1 429.318 4.246 50 0 IIAAMO C[NH+]1CCN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)CC1 ZINC000252604855 569194267 /nfs/dbraw/zinc/19/42/67/569194267.db2.gz GEMFAWUXUVGGTE-AOSIDENFSA-N 1 1 428.580 4.057 50 0 IIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524003 569198455 /nfs/dbraw/zinc/19/84/55/569198455.db2.gz WYISCOCJHXSOHA-NOZRDPDXSA-N 1 1 426.576 4.481 50 0 IIAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@H+]1CCCC(C)(C)C1 ZINC000002309841 569272225 /nfs/dbraw/zinc/27/22/25/569272225.db2.gz SMACRVBEYMLSPN-LBPRGKRZSA-N 1 1 436.350 4.166 50 0 IIAAMO COC(=O)c1ccc2c(=O)[nH]c(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)nc2c1 ZINC000079024389 569322827 /nfs/dbraw/zinc/32/28/27/569322827.db2.gz JFWBUTWWHRXCOZ-APWZRJJASA-N 1 1 441.553 4.052 50 0 IIAAMO COC(=O)c1ccc2c(=O)[nH]c(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)nc2c1 ZINC000079024389 569322828 /nfs/dbraw/zinc/32/28/28/569322828.db2.gz JFWBUTWWHRXCOZ-APWZRJJASA-N 1 1 441.553 4.052 50 0 IIAAMO O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079193121 569328280 /nfs/dbraw/zinc/32/82/80/569328280.db2.gz RKFPUUXBJLGWNW-GBXCKJPGSA-N 1 1 446.547 4.220 50 0 biogenic IIAAMO C[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000095469133 569371395 /nfs/dbraw/zinc/37/13/95/569371395.db2.gz WJBZKIMZARVSQZ-KGLIPLIRSA-N 1 1 432.918 4.325 50 0 IIAAMO CC[NH+]1CCN(C(=O)Cn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000096290477 569390882 /nfs/dbraw/zinc/39/08/82/569390882.db2.gz BIMSCDOFTMNYCH-UHFFFAOYSA-N 1 1 449.357 4.237 50 0 IIAAMO O=C(Cn1ccc2ccccc21)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000225631129 569406180 /nfs/dbraw/zinc/40/61/80/569406180.db2.gz HDKPSWCYFOTNFA-VWLOTQADSA-N 1 1 431.580 4.314 50 0 IIAAMO CCn1c(C[NH2+]C(c2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000057270681 569430311 /nfs/dbraw/zinc/43/03/11/569430311.db2.gz MZQGRNMFKDCTEU-UHFFFAOYSA-N 1 1 448.592 4.186 50 0 IIAAMO Cc1nnc(Sc2cc(C(=O)NCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)s1 ZINC000003027415 569436327 /nfs/dbraw/zinc/43/63/27/569436327.db2.gz WLHAJBUYXHSTAI-UHFFFAOYSA-N 1 1 449.605 4.408 50 0 IIAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4cccs4)no3)C2)cc1Cl ZINC000031056526 569452944 /nfs/dbraw/zinc/45/29/44/569452944.db2.gz BIHJLLOTOIZJSA-CYBMUJFWSA-N 1 1 432.933 4.311 50 0 IIAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4cccs4)no3)C2)cc1Cl ZINC000031056526 569452945 /nfs/dbraw/zinc/45/29/45/569452945.db2.gz BIHJLLOTOIZJSA-CYBMUJFWSA-N 1 1 432.933 4.311 50 0 IIAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccn2)N2CC[NH+](C)CC2)c1C ZINC000038546742 569463698 /nfs/dbraw/zinc/46/36/98/569463698.db2.gz IWWBKAVETKMDFR-HXUWFJFHSA-N 1 1 426.611 4.411 50 0 IIAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1OC ZINC000008721985 569471740 /nfs/dbraw/zinc/47/17/40/569471740.db2.gz MZSXIWNEUABPOK-QFIPXVFZSA-N 1 1 435.549 4.178 50 0 IIAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1OC ZINC000008721985 569471741 /nfs/dbraw/zinc/47/17/41/569471741.db2.gz MZSXIWNEUABPOK-QFIPXVFZSA-N 1 1 435.549 4.178 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]2CC(c3ccccc3F)=NO2)c1 ZINC000245280445 569502158 /nfs/dbraw/zinc/50/21/58/569502158.db2.gz QIPZYUCOWDXPEF-LADGPHEKSA-N 1 1 448.538 4.433 50 0 IIAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](C)O ZINC000245330065 569504026 /nfs/dbraw/zinc/50/40/26/569504026.db2.gz WUMWIJAUPGVCBR-NPPFBWRTSA-N 1 1 448.604 4.121 50 0 IIAAMO COc1ccc(-c2c(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)oc3ccccc3c2=O)cc1OC ZINC000009129555 569505753 /nfs/dbraw/zinc/50/57/53/569505753.db2.gz RVELSBJYJSGGRJ-MRXNPFEDSA-N 1 1 436.508 4.148 50 0 IIAAMO COc1ccc(-c2c(NC(=O)C[N@H+]3CCC[C@@H](C)C3)oc3ccccc3c2=O)cc1OC ZINC000009129555 569505754 /nfs/dbraw/zinc/50/57/54/569505754.db2.gz RVELSBJYJSGGRJ-MRXNPFEDSA-N 1 1 436.508 4.148 50 0 IIAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 ZINC000009390606 569528737 /nfs/dbraw/zinc/52/87/37/569528737.db2.gz RNKOGRKXGCFTMO-UHFFFAOYSA-N 1 1 433.577 4.384 50 0 IIAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 ZINC000009390606 569528738 /nfs/dbraw/zinc/52/87/38/569528738.db2.gz RNKOGRKXGCFTMO-UHFFFAOYSA-N 1 1 433.577 4.384 50 0 IIAAMO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000009516228 569543413 /nfs/dbraw/zinc/54/34/13/569543413.db2.gz NZVDTZFSQUXJSL-VWLOTQADSA-N 1 1 429.520 4.292 50 0 IIAAMO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)c12 ZINC000009610393 569552516 /nfs/dbraw/zinc/55/25/16/569552516.db2.gz LJJBMNXNPINERA-GOSISDBHSA-N 1 1 439.991 4.398 50 0 IIAAMO CCCC[N@@H+](CC)CCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674017 569559002 /nfs/dbraw/zinc/55/90/02/569559002.db2.gz PDWAFAXOAFRNEN-UHFFFAOYSA-N 1 1 436.600 4.460 50 0 IIAAMO NC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000001447629 132245610 /nfs/dbraw/zinc/24/56/10/132245610.db2.gz PTGWHVRHHPIWTJ-UHFFFAOYSA-N 1 1 431.927 4.443 50 0 IIAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)C1 ZINC000012459457 519673527 /nfs/dbraw/zinc/67/35/27/519673527.db2.gz UXCJMPUKUUYIJP-LJQANCHMSA-N 1 1 438.522 4.474 50 0 IIAAMO CCCOc1cccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000020562271 520435571 /nfs/dbraw/zinc/43/55/71/520435571.db2.gz HOZBUZBMUJQATJ-UHFFFAOYSA-N 1 1 433.552 4.143 50 0 IIAAMO CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012477990 521296887 /nfs/dbraw/zinc/29/68/87/521296887.db2.gz JKYBSNOPMCAQQC-FQEVSTJZSA-N 1 1 428.548 4.340 50 0 IIAAMO CCN(Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012477990 521296915 /nfs/dbraw/zinc/29/69/15/521296915.db2.gz JKYBSNOPMCAQQC-FQEVSTJZSA-N 1 1 428.548 4.340 50 0 IIAAMO CCN(Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012477990 521296921 /nfs/dbraw/zinc/29/69/21/521296921.db2.gz JKYBSNOPMCAQQC-FQEVSTJZSA-N 1 1 428.548 4.340 50 0 IIAAMO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020507236 521373729 /nfs/dbraw/zinc/37/37/29/521373729.db2.gz HESXUVBANNOGHZ-HZPDHXFCSA-N 1 1 446.569 4.038 50 0 IIAAMO CCOC(=O)c1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000020927230 521540686 /nfs/dbraw/zinc/54/06/86/521540686.db2.gz CXBKOKMWZIEDOW-UHFFFAOYSA-N 1 1 438.553 4.025 50 0 IIAAMO CCN1CC[NH+](Cc2ccc(Nc3ncnc4onc(-c5ccc(F)cc5)c43)cc2)CC1 ZINC000020574512 521688928 /nfs/dbraw/zinc/68/89/28/521688928.db2.gz NFNBDIOOPHIIJW-UHFFFAOYSA-N 1 1 432.503 4.305 50 0 IIAAMO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1cccc(Cl)c1 ZINC000012749028 522456392 /nfs/dbraw/zinc/45/63/92/522456392.db2.gz WADKBZLTRGANNW-QGZVFWFLSA-N 1 1 425.838 4.078 50 0 IIAAMO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1cccc(Cl)c1 ZINC000012749028 522456397 /nfs/dbraw/zinc/45/63/97/522456397.db2.gz WADKBZLTRGANNW-QGZVFWFLSA-N 1 1 425.838 4.078 50 0 IIAAMO COc1cc(CNCc2cccc(F)c2F)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012303967 522466845 /nfs/dbraw/zinc/46/68/45/522466845.db2.gz UNJWGLBDTJNPGM-NRFANRHFSA-N 1 1 448.554 4.267 50 0 IIAAMO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1ccccc1Br ZINC000012746833 522677253 /nfs/dbraw/zinc/67/72/53/522677253.db2.gz QXIKQQGEFJWJJM-UHFFFAOYSA-N 1 1 442.716 4.141 50 0 IIAAMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1ccccc1Br ZINC000012746833 522677261 /nfs/dbraw/zinc/67/72/61/522677261.db2.gz QXIKQQGEFJWJJM-UHFFFAOYSA-N 1 1 442.716 4.141 50 0 IIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000035807524 522936266 /nfs/dbraw/zinc/93/62/66/522936266.db2.gz BKGNLSHFTSZWQC-FOVJLYNBSA-N 1 1 444.959 4.361 50 0 IIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000035807524 522936271 /nfs/dbraw/zinc/93/62/71/522936271.db2.gz BKGNLSHFTSZWQC-FOVJLYNBSA-N 1 1 444.959 4.361 50 0 IIAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2O)cc1 ZINC000020591197 523075085 /nfs/dbraw/zinc/07/50/85/523075085.db2.gz DZIPXANSGQRFCA-IAGOWNOFSA-N 1 1 437.540 4.254 50 0 IIAAMO CCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697056 523141409 /nfs/dbraw/zinc/14/14/09/523141409.db2.gz PFFXZPUXQZAFKO-DEOSSOPVSA-N 1 1 437.971 4.447 50 0 IIAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000020599265 523940664 /nfs/dbraw/zinc/94/06/64/523940664.db2.gz PONNGPHWIJHJBW-HSZRJFAPSA-N 1 1 434.584 4.028 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c(OC)c1 ZINC000012440755 524048218 /nfs/dbraw/zinc/04/82/18/524048218.db2.gz ZCOANTGMPCLEBU-KRWDZBQOSA-N 1 1 432.511 4.291 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cc(C)c(O)c(C)c3)C2)c(OC)c1 ZINC000012373313 524048399 /nfs/dbraw/zinc/04/83/99/524048399.db2.gz PULALPZCLBOWLB-HXUWFJFHSA-N 1 1 440.584 4.335 50 0 IIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)c(OC)c1 ZINC000012385839 524048470 /nfs/dbraw/zinc/04/84/70/524048470.db2.gz YXBWQODCFLSJOZ-IBGZPJMESA-N 1 1 435.568 4.494 50 0 IIAAMO Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCC[N@H+](C)C4CCCCC4)C3)nn2)c1 ZINC000035398277 524108585 /nfs/dbraw/zinc/10/85/85/524108585.db2.gz SXZCKILGJVARSG-JOCHJYFZSA-N 1 1 435.616 4.049 50 0 IIAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCCC[NH+]1CCOCC1 ZINC000021798189 524304898 /nfs/dbraw/zinc/30/48/98/524304898.db2.gz XOCMYSGUTDAEJN-UHFFFAOYSA-N 1 1 443.551 4.230 50 0 IIAAMO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccc(Cl)cc2)o1 ZINC000036031146 524420338 /nfs/dbraw/zinc/42/03/38/524420338.db2.gz QFPXEHKLPVOXRR-LJQANCHMSA-N 1 1 429.900 4.412 50 0 IIAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccc(Cl)cc2)o1 ZINC000036031146 524420349 /nfs/dbraw/zinc/42/03/49/524420349.db2.gz QFPXEHKLPVOXRR-LJQANCHMSA-N 1 1 429.900 4.412 50 0 IIAAMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1C ZINC000021040198 524477751 /nfs/dbraw/zinc/47/77/51/524477751.db2.gz CRSZJSGJXBJTMF-UHFFFAOYSA-N 1 1 431.559 4.117 50 0 IIAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1C ZINC000021040198 524477758 /nfs/dbraw/zinc/47/77/58/524477758.db2.gz CRSZJSGJXBJTMF-UHFFFAOYSA-N 1 1 431.559 4.117 50 0 IIAAMO COc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)[nH+]c(C)n2)CC1 ZINC000021795350 524610037 /nfs/dbraw/zinc/61/00/37/524610037.db2.gz KIPXEWXUTFQKHR-UHFFFAOYSA-N 1 1 432.528 4.200 50 0 IIAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)c1OC ZINC000036031669 525924777 /nfs/dbraw/zinc/92/47/77/525924777.db2.gz WBUACYQPQXJBEX-QFIPXVFZSA-N 1 1 425.500 4.285 50 0 IIAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)c1OC ZINC000036031669 525924787 /nfs/dbraw/zinc/92/47/87/525924787.db2.gz WBUACYQPQXJBEX-QFIPXVFZSA-N 1 1 425.500 4.285 50 0 IIAAMO COc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1OC ZINC000020453254 525937348 /nfs/dbraw/zinc/93/73/48/525937348.db2.gz FOXYTLHYKXVJER-QFIPXVFZSA-N 1 1 429.992 4.144 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1OC ZINC000020453254 525937361 /nfs/dbraw/zinc/93/73/61/525937361.db2.gz FOXYTLHYKXVJER-QFIPXVFZSA-N 1 1 429.992 4.144 50 0 IIAAMO COc1cccc(OC)c1CN1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000012281441 526222568 /nfs/dbraw/zinc/22/25/68/526222568.db2.gz IDPHSKHLOCLGCE-IBGZPJMESA-N 1 1 442.629 4.061 50 0 IIAAMO O=C(CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1cccc(F)c1 ZINC000012889240 526488189 /nfs/dbraw/zinc/48/81/89/526488189.db2.gz POJNUEMVUOTVBG-UHFFFAOYSA-N 1 1 430.833 4.044 50 0 IIAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000022908149 526582037 /nfs/dbraw/zinc/58/20/37/526582037.db2.gz FFJFHAQERBODEW-HXUWFJFHSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000022908149 526582040 /nfs/dbraw/zinc/58/20/40/526582040.db2.gz FFJFHAQERBODEW-HXUWFJFHSA-N 1 1 439.968 4.256 50 0 IIAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000012360443 527018513 /nfs/dbraw/zinc/01/85/13/527018513.db2.gz YUXGEAYYXPGKHO-GOSISDBHSA-N 1 1 425.941 4.461 50 0 IIAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1Cn1cccn1 ZINC000012472440 527147111 /nfs/dbraw/zinc/14/71/11/527147111.db2.gz KRSQZIANRNGHON-RUZDIDTESA-N 1 1 440.551 4.110 50 0 IIAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000012246599 527491381 /nfs/dbraw/zinc/49/13/81/527491381.db2.gz IZYYAYZZHXATHA-PXNSSMCTSA-N 1 1 426.973 4.230 50 0 IIAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000012246599 527491385 /nfs/dbraw/zinc/49/13/85/527491385.db2.gz IZYYAYZZHXATHA-PXNSSMCTSA-N 1 1 426.973 4.230 50 0 IIAAMO COc1cccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000097546838 556247880 /nfs/dbraw/zinc/24/78/80/556247880.db2.gz LLNXKKJMOBFZOZ-CJFMBICVSA-N 1 1 449.620 4.434 50 0 IIAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000032543427 556283796 /nfs/dbraw/zinc/28/37/96/556283796.db2.gz XVEXPXINORFGJO-UHFFFAOYSA-N 1 1 435.959 4.150 50 0 IIAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000032543427 556283798 /nfs/dbraw/zinc/28/37/98/556283798.db2.gz XVEXPXINORFGJO-UHFFFAOYSA-N 1 1 435.959 4.150 50 0 IIAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000032768771 556333543 /nfs/dbraw/zinc/33/35/43/556333543.db2.gz HGWDSBCBJGIBTH-HSZRJFAPSA-N 1 1 447.535 4.018 50 0 IIAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000032768771 556333546 /nfs/dbraw/zinc/33/35/46/556333546.db2.gz HGWDSBCBJGIBTH-HSZRJFAPSA-N 1 1 447.535 4.018 50 0 IIAAMO C[N@H+](CCCc1nc(-c2cccc(C(F)(F)F)c2)no1)CC(=O)Nc1cccc(F)c1 ZINC000032769781 556334204 /nfs/dbraw/zinc/33/42/04/556334204.db2.gz SPHXQZVMJDAOKK-UHFFFAOYSA-N 1 1 436.409 4.398 50 0 IIAAMO C[N@@H+](CCCc1nc(-c2cccc(C(F)(F)F)c2)no1)CC(=O)Nc1cccc(F)c1 ZINC000032769781 556334207 /nfs/dbraw/zinc/33/42/07/556334207.db2.gz SPHXQZVMJDAOKK-UHFFFAOYSA-N 1 1 436.409 4.398 50 0 IIAAMO Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000011814449 556357573 /nfs/dbraw/zinc/35/75/73/556357573.db2.gz YIHVIMNWQXNXHE-SFHVURJKSA-N 1 1 445.592 4.351 50 0 IIAAMO COc1cccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 ZINC000011843102 556366227 /nfs/dbraw/zinc/36/62/27/556366227.db2.gz VZGCQNMMVPAGLU-LJQANCHMSA-N 1 1 426.557 4.021 50 0 IIAAMO C[NH+]1CCN(CCCNc2ncnc3cc(-c4ccc(Br)cc4)sc32)CC1 ZINC000032806377 556368593 /nfs/dbraw/zinc/36/85/93/556368593.db2.gz BPCQLQZRAAKZJV-UHFFFAOYSA-N 1 1 446.418 4.170 50 0 IIAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC2CC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014537269 556424021 /nfs/dbraw/zinc/42/40/21/556424021.db2.gz FPCXHDMDQHATLQ-YADHBBJMSA-N 1 1 445.538 4.334 50 0 IIAAMO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@@H]1CCCc2ccccc21 ZINC000027906659 556434972 /nfs/dbraw/zinc/43/49/72/556434972.db2.gz FCODSWXMOYDNTN-UYAOXDASSA-N 1 1 431.458 4.302 50 0 IIAAMO NC(=O)C1CC[NH+]([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000013102420 556461027 /nfs/dbraw/zinc/46/10/27/556461027.db2.gz JQRKNXXCDJQEQE-GOSISDBHSA-N 1 1 439.865 4.236 50 0 IIAAMO CCCNC(=O)C[NH+]1CCC(Nc2nc(C)nc3scc(-c4cccs4)c32)CC1 ZINC000029622408 556478967 /nfs/dbraw/zinc/47/89/67/556478967.db2.gz NYVDOSAGTHKCHV-UHFFFAOYSA-N 1 1 429.615 4.131 50 0 IIAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2)C(C)C ZINC000015068186 556494246 /nfs/dbraw/zinc/49/42/46/556494246.db2.gz DMGMIJOKKCEIQL-VWLOTQADSA-N 1 1 431.584 4.227 50 0 IIAAMO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000030590199 556499042 /nfs/dbraw/zinc/49/90/42/556499042.db2.gz WHRKBRQAMNEMOE-IEBWSBKVSA-N 1 1 428.964 4.193 50 0 IIAAMO C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccccc1Cl ZINC000030590199 556499045 /nfs/dbraw/zinc/49/90/45/556499045.db2.gz WHRKBRQAMNEMOE-IEBWSBKVSA-N 1 1 428.964 4.193 50 0 IIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1)c1ccc2c(c1)OCO2 ZINC000015077847 556499828 /nfs/dbraw/zinc/49/98/28/556499828.db2.gz KHRXEFUZHQGSHT-KRWDZBQOSA-N 1 1 435.549 4.181 50 0 IIAAMO COCCOC(=O)Nc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000072294209 556506532 /nfs/dbraw/zinc/50/65/32/556506532.db2.gz ATSWNMRZFPONPF-LJQANCHMSA-N 1 1 440.544 4.010 50 0 IIAAMO COc1cc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1Cl ZINC000032899230 556524567 /nfs/dbraw/zinc/52/45/67/556524567.db2.gz BWCYRTWFHFKYHP-HDICACEKSA-N 1 1 446.975 4.157 50 0 IIAAMO CCC[N@@H+](CCCC(=O)OCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000004572323 556538743 /nfs/dbraw/zinc/53/87/43/556538743.db2.gz DIOCCSIBGPRCNH-UHFFFAOYSA-N 1 1 428.573 4.215 50 0 IIAAMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016033519 556577072 /nfs/dbraw/zinc/57/70/72/556577072.db2.gz IKIRQWQLCVIEQX-PLACYPQZSA-N 1 1 434.923 4.471 50 0 IIAAMO CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016033519 556577073 /nfs/dbraw/zinc/57/70/73/556577073.db2.gz IKIRQWQLCVIEQX-PLACYPQZSA-N 1 1 434.923 4.471 50 0 IIAAMO C[C@@H](c1cccc2ccccc21)[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C1CC1 ZINC000032911851 556585142 /nfs/dbraw/zinc/58/51/42/556585142.db2.gz LAMCXNFHBXHXCR-INIZCTEOSA-N 1 1 437.490 4.398 50 0 IIAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145871 556593814 /nfs/dbraw/zinc/59/38/14/556593814.db2.gz OAEOAMSQRAPKEH-DQEYMECFSA-N 1 1 448.538 4.399 50 0 IIAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145871 556593816 /nfs/dbraw/zinc/59/38/16/556593816.db2.gz OAEOAMSQRAPKEH-DQEYMECFSA-N 1 1 448.538 4.399 50 0 IIAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000060267303 556601171 /nfs/dbraw/zinc/60/11/71/556601171.db2.gz BDJHLKSIMDPAEI-IBGZPJMESA-N 1 1 443.613 4.307 50 0 IIAAMO COc1ccccc1/C=C1\Oc2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2NC1=O ZINC000032983741 556602314 /nfs/dbraw/zinc/60/23/14/556602314.db2.gz YSKCTSSWCZGIAR-YLPLVBRQSA-N 1 1 449.551 4.062 50 0 IIAAMO O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000053224602 556724352 /nfs/dbraw/zinc/72/43/52/556724352.db2.gz YXACXWLALINXQS-UHFFFAOYSA-N 1 1 449.554 4.050 50 0 IIAAMO O[C@@H]1CCCN(CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089283 556733926 /nfs/dbraw/zinc/73/39/26/556733926.db2.gz TYRZQXBRUCMRDZ-OAQYLSRUSA-N 1 1 442.966 4.268 50 0 IIAAMO O[C@@H]1CCC[N@H+](CCCNCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089283 556733928 /nfs/dbraw/zinc/73/39/28/556733928.db2.gz TYRZQXBRUCMRDZ-OAQYLSRUSA-N 1 1 442.966 4.268 50 0 IIAAMO O[C@@H]1CCC[N@@H+](CCCNCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089283 556733930 /nfs/dbraw/zinc/73/39/30/556733930.db2.gz TYRZQXBRUCMRDZ-OAQYLSRUSA-N 1 1 442.966 4.268 50 0 IIAAMO O=C(c1nc2sccn2c1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1)N1CCCCC1 ZINC000055152968 556736366 /nfs/dbraw/zinc/73/63/66/556736366.db2.gz DOAKDXDAZRZUGQ-HXUWFJFHSA-N 1 1 438.597 4.203 50 0 IIAAMO O=C(c1nc2sccn2c1C[N@H+]1CCC[C@@H](OCc2ccccc2)C1)N1CCCCC1 ZINC000055152968 556736368 /nfs/dbraw/zinc/73/63/68/556736368.db2.gz DOAKDXDAZRZUGQ-HXUWFJFHSA-N 1 1 438.597 4.203 50 0 IIAAMO FC(F)(F)c1cccc(Cc2noc(CN3CCC[N@@H+](Cc4cccs4)CC3)n2)c1 ZINC000019339787 556739763 /nfs/dbraw/zinc/73/97/63/556739763.db2.gz NGQJSKCQEBGWIG-UHFFFAOYSA-N 1 1 436.503 4.449 50 0 IIAAMO COc1cc2c(cc1Br)n(-c1ccccc1)c(C)c2C(=O)N1CC[NH+](C)CC1 ZINC000057234740 556746829 /nfs/dbraw/zinc/74/68/29/556746829.db2.gz GPHCWIIXKAALBS-UHFFFAOYSA-N 1 1 442.357 4.098 50 0 IIAAMO CSc1nc2nc(-c3ccc(C)cc3)oc2c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC000061997358 556763378 /nfs/dbraw/zinc/76/33/78/556763378.db2.gz MDEJLRPTFGFWES-UHFFFAOYSA-N 1 1 446.580 4.075 50 0 IIAAMO O=C(C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)Nc1ccnn1C1CCCC1 ZINC000058159853 556764094 /nfs/dbraw/zinc/76/40/94/556764094.db2.gz AZQGFJWBXHVVNW-QGZVFWFLSA-N 1 1 438.507 4.005 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)Nc1ccnn1C1CCCC1 ZINC000058159853 556764097 /nfs/dbraw/zinc/76/40/97/556764097.db2.gz AZQGFJWBXHVVNW-QGZVFWFLSA-N 1 1 438.507 4.005 50 0 IIAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2)cc1 ZINC000058170512 556767989 /nfs/dbraw/zinc/76/79/89/556767989.db2.gz KHVFMTFAZHPBRN-XMMPIXPASA-N 1 1 447.926 4.247 50 0 IIAAMO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@H](c1cccs1)c1ccccc1 ZINC000058173660 556768893 /nfs/dbraw/zinc/76/88/93/556768893.db2.gz LXQCDYOFFCOTBI-QFIPXVFZSA-N 1 1 427.957 4.144 50 0 IIAAMO COc1ccccc1NC(=O)C1CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000062580508 556836155 /nfs/dbraw/zinc/83/61/55/556836155.db2.gz AHMDZALZXLPMPB-UHFFFAOYSA-N 1 1 448.542 4.359 50 0 IIAAMO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)cc1C ZINC000019831683 556926884 /nfs/dbraw/zinc/92/68/84/556926884.db2.gz VJOSXTDZEAPVGQ-AREMUKBSSA-N 1 1 444.575 4.096 50 0 IIAAMO COc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019849736 556930402 /nfs/dbraw/zinc/93/04/02/556930402.db2.gz OTALUNUYQDVURD-NRFANRHFSA-N 1 1 430.548 4.396 50 0 IIAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc4c(cccc4NC(C)=O)n3)C2)cc1OC ZINC000020117805 556987136 /nfs/dbraw/zinc/98/71/36/556987136.db2.gz PVMAPOCKCHKYBN-IBGZPJMESA-N 1 1 447.535 4.305 50 0 IIAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](C4CSCCSC4)C3)CC2)c1 ZINC000020209770 556998613 /nfs/dbraw/zinc/99/86/13/556998613.db2.gz NDCZHWGCUDNLQN-LJQANCHMSA-N 1 1 445.620 4.140 50 0 IIAAMO COc1ccc(CN(CCC[NH+]2CCOCC2)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000020394207 557013105 /nfs/dbraw/zinc/01/31/05/557013105.db2.gz IXVFBDGOVBONJZ-UHFFFAOYSA-N 1 1 447.963 4.114 50 0 IIAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000023181737 557045825 /nfs/dbraw/zinc/04/58/25/557045825.db2.gz QANQVIWJUCBTRP-DVECYGJZSA-N 1 1 435.593 4.439 50 0 IIAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938414 557053433 /nfs/dbraw/zinc/05/34/33/557053433.db2.gz UCQZXMYIOYLLIQ-IBGZPJMESA-N 1 1 429.948 4.323 50 0 IIAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)cc1C ZINC000033277333 557059142 /nfs/dbraw/zinc/05/91/42/557059142.db2.gz ORVNGTXGNDNPJZ-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)cc1C ZINC000033277333 557059148 /nfs/dbraw/zinc/05/91/48/557059148.db2.gz ORVNGTXGNDNPJZ-UHFFFAOYSA-N 1 1 444.579 4.181 50 0 IIAAMO O=C(Nc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000023074594 557061434 /nfs/dbraw/zinc/06/14/34/557061434.db2.gz ANKYPQFEQLWDFY-UHFFFAOYSA-N 1 1 437.540 4.488 50 0 IIAAMO O=C(Nc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000023074594 557061438 /nfs/dbraw/zinc/06/14/38/557061438.db2.gz ANKYPQFEQLWDFY-UHFFFAOYSA-N 1 1 437.540 4.488 50 0 IIAAMO COc1ccc(CCNC(=O)C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1OC ZINC000025397828 557207995 /nfs/dbraw/zinc/20/79/95/557207995.db2.gz JJEYDDYRWOJOBO-XMMPIXPASA-N 1 1 430.548 4.010 50 0 IIAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000100156134 557244417 /nfs/dbraw/zinc/24/44/17/557244417.db2.gz RCDDSJPWSHTDAP-OAQYLSRUSA-N 1 1 433.508 4.128 50 0 IIAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1 ZINC000011667754 557324573 /nfs/dbraw/zinc/32/45/73/557324573.db2.gz MIYKZNSSZNLSPC-UHFFFAOYSA-N 1 1 447.560 4.097 50 0 IIAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1 ZINC000011667754 557324575 /nfs/dbraw/zinc/32/45/75/557324575.db2.gz MIYKZNSSZNLSPC-UHFFFAOYSA-N 1 1 447.560 4.097 50 0 IIAAMO C[C@H](SCC[N@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1)c1cn(-c2ccccc2)nn1 ZINC000408516884 557412011 /nfs/dbraw/zinc/41/20/11/557412011.db2.gz QBEBMDGJNKEOEX-OALUTQOASA-N 1 1 433.585 4.335 50 0 IIAAMO C[C@H](SCC[N@@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1)c1cn(-c2ccccc2)nn1 ZINC000408516884 557412013 /nfs/dbraw/zinc/41/20/13/557412013.db2.gz QBEBMDGJNKEOEX-OALUTQOASA-N 1 1 433.585 4.335 50 0 IIAAMO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000104919849 557465492 /nfs/dbraw/zinc/46/54/92/557465492.db2.gz NOLLZUXNQXRROR-AOYPEHQESA-N 1 1 429.539 4.005 50 0 IIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](C)O)C[C@@H]1CCCO1 ZINC000105009007 557471745 /nfs/dbraw/zinc/47/17/45/557471745.db2.gz YCSXVLAKFBACGQ-MBSDFSHPSA-N 1 1 439.531 4.474 50 0 IIAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](C)O)C[C@@H]1CCCO1 ZINC000105009007 557471746 /nfs/dbraw/zinc/47/17/46/557471746.db2.gz YCSXVLAKFBACGQ-MBSDFSHPSA-N 1 1 439.531 4.474 50 0 IIAAMO CCN1CC[NH+](Cc2ccc(Nc3onc(-c4ccc(F)cc4)c3C(=O)OC)cc2)CC1 ZINC000046914461 557513793 /nfs/dbraw/zinc/51/37/93/557513793.db2.gz KSMAQGVPZINKMR-UHFFFAOYSA-N 1 1 438.503 4.148 50 0 IIAAMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000106920879 557533327 /nfs/dbraw/zinc/53/33/27/557533327.db2.gz VGTHDNVHMOVQIF-TZIWHRDSSA-N 1 1 447.501 4.489 50 0 IIAAMO CCCCOc1ccc(-c2nnc(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)o2)cc1 ZINC000225472014 557726927 /nfs/dbraw/zinc/72/69/27/557726927.db2.gz MPLVYMRPBOSQSG-KDURUIRLSA-N 1 1 442.560 4.214 50 0 IIAAMO CCCCOc1ccc(-c2nnc(C[N@@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)o2)cc1 ZINC000225472014 557726929 /nfs/dbraw/zinc/72/69/29/557726929.db2.gz MPLVYMRPBOSQSG-KDURUIRLSA-N 1 1 442.560 4.214 50 0 IIAAMO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](CCOc2ccccc2)Cc2cncnc2)CC1 ZINC000241653392 557846892 /nfs/dbraw/zinc/84/68/92/557846892.db2.gz PUUBTFHNBRNYAT-OAQYLSRUSA-N 1 1 426.561 4.147 50 0 IIAAMO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[N@H+]1CCC[C@H](C)C1 ZINC000002262300 562926623 /nfs/dbraw/zinc/92/66/23/562926623.db2.gz UIRMQYLIOLIYRX-ZDUSSCGKSA-N 1 1 436.350 4.168 50 0 IIAAMO COc1cc(Br)c(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1OC ZINC000005004124 562943852 /nfs/dbraw/zinc/94/38/52/562943852.db2.gz LGEHGMJWQAKLLI-QGZVFWFLSA-N 1 1 436.346 4.255 50 0 in-vitro IIAAMO COc1cc(Br)c(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1OC ZINC000005004124 562943853 /nfs/dbraw/zinc/94/38/53/562943853.db2.gz LGEHGMJWQAKLLI-QGZVFWFLSA-N 1 1 436.346 4.255 50 0 in-vitro IIAAMO COCCCNC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590217 562951571 /nfs/dbraw/zinc/95/15/71/562951571.db2.gz KBUJTBDLHAWKDI-IBGZPJMESA-N 1 1 432.634 4.340 50 0 IIAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982839 568623124 /nfs/dbraw/zinc/62/31/24/568623124.db2.gz GSEQSROAANZUGX-IZZNHLLZSA-N 1 1 448.538 4.399 50 0 IIAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](CC)Cc1ccccc1C ZINC000058790208 568741647 /nfs/dbraw/zinc/74/16/47/568741647.db2.gz XMJNDZCBRUQDGO-UHFFFAOYSA-N 1 1 428.602 4.027 50 0 IIAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](CC)Cc1ccccc1C ZINC000058790208 568741648 /nfs/dbraw/zinc/74/16/48/568741648.db2.gz XMJNDZCBRUQDGO-UHFFFAOYSA-N 1 1 428.602 4.027 50 0 IIAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000015669150 568801727 /nfs/dbraw/zinc/80/17/27/568801727.db2.gz JVAQKHLOCCCMPK-UHFFFAOYSA-N 1 1 433.512 4.026 50 0 IIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676912 568804330 /nfs/dbraw/zinc/80/43/30/568804330.db2.gz NRVJICJTMGTXQJ-QFIPXVFZSA-N 1 1 447.627 4.475 50 0 IIAAMO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c2-n2cccc2)cc1 ZINC000015681271 568806402 /nfs/dbraw/zinc/80/64/02/568806402.db2.gz NNQQZFPUXAIREH-UHFFFAOYSA-N 1 1 427.552 4.223 50 0 IIAAMO Cc1cccc(CN2CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2CCO)n1 ZINC000104532868 568837539 /nfs/dbraw/zinc/83/75/39/568837539.db2.gz PXTTTZWVOFBNBM-HXUWFJFHSA-N 1 1 425.960 4.372 50 0 IIAAMO Cc1cccc(CN2CC[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2CCO)n1 ZINC000104532868 568837540 /nfs/dbraw/zinc/83/75/40/568837540.db2.gz PXTTTZWVOFBNBM-HXUWFJFHSA-N 1 1 425.960 4.372 50 0 IIAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccs1 ZINC000016041409 568868274 /nfs/dbraw/zinc/86/82/74/568868274.db2.gz RVESFUQJOGLCIX-HEHGZKQESA-N 1 1 425.809 4.455 50 0 IIAAMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000575618716 568882310 /nfs/dbraw/zinc/88/23/10/568882310.db2.gz BHZXUOWRBVKLDY-KRWDZBQOSA-N 1 1 426.460 4.174 50 0 IIAAMO C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000013004606 568898996 /nfs/dbraw/zinc/89/89/96/568898996.db2.gz GXBJQWARNDXAMD-RNXZQOMOSA-N 1 1 444.645 4.179 50 0 IIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146352 568962525 /nfs/dbraw/zinc/96/25/25/568962525.db2.gz DIPUUSKYDCVKJV-UXHICEINSA-N 1 1 434.939 4.260 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146432 568962765 /nfs/dbraw/zinc/96/27/65/568962765.db2.gz JXRLMHSLBVGCKH-RSXGOPAZSA-N 1 1 448.538 4.433 50 0 IIAAMO COc1cccc(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146436 568962847 /nfs/dbraw/zinc/96/28/47/568962847.db2.gz NCVGVSRNJSODEI-GGAORHGYSA-N 1 1 444.547 4.006 50 0 IIAAMO CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)CC1CC1 ZINC000036309511 568996124 /nfs/dbraw/zinc/99/61/24/568996124.db2.gz FKTPIQFLWJFSKO-REWPJTCUSA-N 1 1 442.625 4.044 50 0 IIAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036310797 568996768 /nfs/dbraw/zinc/99/67/68/568996768.db2.gz DNMYJZKMTWDWQR-OFNKIYASSA-N 1 1 426.605 4.104 50 0 IIAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036310795 568996925 /nfs/dbraw/zinc/99/69/25/568996925.db2.gz DNMYJZKMTWDWQR-REWPJTCUSA-N 1 1 426.605 4.104 50 0 IIAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341793 569078915 /nfs/dbraw/zinc/07/89/15/569078915.db2.gz UAHWEEMXDBHQLM-FQEVSTJZSA-N 1 1 425.916 4.232 50 0 IIAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346589 569081413 /nfs/dbraw/zinc/08/14/13/569081413.db2.gz DSOFQQKFZIXNMA-FQEVSTJZSA-N 1 1 445.510 4.469 50 0 IIAAMO CC(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000036548246 569117377 /nfs/dbraw/zinc/11/73/77/569117377.db2.gz WEPZKJIBAVSIRI-FTJBHMTQSA-N 1 1 441.575 4.191 50 0 IIAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000037210459 569140873 /nfs/dbraw/zinc/14/08/73/569140873.db2.gz ULRBRDDTKXDNLD-WMZOPIPTSA-N 1 1 437.565 4.124 50 0 IIAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCCO2 ZINC000037210459 569140874 /nfs/dbraw/zinc/14/08/74/569140874.db2.gz ULRBRDDTKXDNLD-WMZOPIPTSA-N 1 1 437.565 4.124 50 0 IIAAMO C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606027 569143906 /nfs/dbraw/zinc/14/39/06/569143906.db2.gz UQQWFCSWCNVVSX-IFXJQAMLSA-N 1 1 427.346 4.319 50 0 IIAAMO CC[N@@H+](C)[C@@H](C(=O)NCc1cccc(-c2nc(-c3ccncc3)no2)c1)c1ccccc1 ZINC000170610180 569145152 /nfs/dbraw/zinc/14/51/52/569145152.db2.gz NYIJNUAIJUBLTQ-JOCHJYFZSA-N 1 1 427.508 4.108 50 0 IIAAMO COc1cc(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1OCCC(C)C ZINC000170616139 569146829 /nfs/dbraw/zinc/14/68/29/569146829.db2.gz PHHJJAMIEBOWBA-UHFFFAOYSA-N 1 1 425.573 4.120 50 0 IIAAMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCN(CC(F)(F)F)CC1)c1ccc2c(c1)CCCC2 ZINC000089905069 569167224 /nfs/dbraw/zinc/16/72/24/569167224.db2.gz NEFHOOWMPJESDE-VGOFRKELSA-N 1 1 437.550 4.234 50 0 IIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1)Nc1cccc(F)c1 ZINC000252517206 569189350 /nfs/dbraw/zinc/18/93/50/569189350.db2.gz BYCCIOMJJFAVHW-GBXCKJPGSA-N 1 1 441.547 4.417 50 0 IIAAMO C[N@H+]1CCN(Cc2c(Br)cncc2Br)[C@@H](c2ccccc2)C1 ZINC000252522914 569189581 /nfs/dbraw/zinc/18/95/81/569189581.db2.gz BJTLYXPAVSPBDR-QGZVFWFLSA-N 1 1 425.168 4.095 50 0 IIAAMO CCOCCN1CC[N@@H+](C[C@@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@H]1CC ZINC000252550215 569190913 /nfs/dbraw/zinc/19/09/13/569190913.db2.gz SHTSUYDYNQWHCN-WOJBJXKFSA-N 1 1 447.620 4.285 50 0 IIAAMO CCOCC[N@@H+]1CCN(C[C@@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@H]1CC ZINC000252550215 569190915 /nfs/dbraw/zinc/19/09/15/569190915.db2.gz SHTSUYDYNQWHCN-WOJBJXKFSA-N 1 1 447.620 4.285 50 0 IIAAMO CCOCC[N@H+]1CCN(C[C@@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@H]1CC ZINC000252550215 569190917 /nfs/dbraw/zinc/19/09/17/569190917.db2.gz SHTSUYDYNQWHCN-WOJBJXKFSA-N 1 1 447.620 4.285 50 0 IIAAMO C[N@H+]1CCC[C@@H](COC(=O)c2ccc(CNC(N)=O)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822690 569319435 /nfs/dbraw/zinc/31/94/35/569319435.db2.gz FDPGNVYSDLXEBN-ICSRJNTNSA-N 1 1 449.473 4.114 50 0 IIAAMO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1)c1ccsc1 ZINC000078967660 569320671 /nfs/dbraw/zinc/32/06/71/569320671.db2.gz QTBSIYIGUZTCGQ-QGZVFWFLSA-N 1 1 431.421 4.013 50 0 IIAAMO CCOC(CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)oc2C)C1)OCC ZINC000020240821 569357709 /nfs/dbraw/zinc/35/77/09/569357709.db2.gz GGVHMLSOCVFPAO-SFHVURJKSA-N 1 1 449.979 4.031 50 0 IIAAMO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H]([NH2+]C1CCN(C3CC3)CC1)c1ccccc1O2 ZINC000095455516 569368508 /nfs/dbraw/zinc/36/85/08/569368508.db2.gz ODSHSRYFLRJJFN-PXDATVDWSA-N 1 1 427.589 4.106 50 0 IIAAMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000096007062 569379455 /nfs/dbraw/zinc/37/94/55/569379455.db2.gz QQJLRDKXZYPOCO-GIVPXCGWSA-N 1 1 433.379 4.370 50 0 IIAAMO O=C(Nc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc1)c1ccc(F)cc1F ZINC000096280562 569389682 /nfs/dbraw/zinc/38/96/82/569389682.db2.gz DCMJTMSDXAHQNH-UHFFFAOYSA-N 1 1 426.442 4.073 50 0 IIAAMO CC(C)[C@@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000029118898 569427287 /nfs/dbraw/zinc/42/72/87/569427287.db2.gz JJDNJJCFCKLBKB-JOCHJYFZSA-N 1 1 434.506 4.126 50 0 IIAAMO CC(C)[C@@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000029118898 569427289 /nfs/dbraw/zinc/42/72/89/569427289.db2.gz JJDNJJCFCKLBKB-JOCHJYFZSA-N 1 1 434.506 4.126 50 0 IIAAMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC ZINC000008191813 569462409 /nfs/dbraw/zinc/46/24/09/569462409.db2.gz LVIJRNWNNFFBMV-IBGZPJMESA-N 1 1 425.573 4.462 50 0 IIAAMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC ZINC000008191813 569462410 /nfs/dbraw/zinc/46/24/10/569462410.db2.gz LVIJRNWNNFFBMV-IBGZPJMESA-N 1 1 425.573 4.462 50 0 IIAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008755966 569474022 /nfs/dbraw/zinc/47/40/22/569474022.db2.gz MVHAYKPCDRMHGO-KRWDZBQOSA-N 1 1 434.565 4.241 50 0 IIAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008755966 569474023 /nfs/dbraw/zinc/47/40/23/569474023.db2.gz MVHAYKPCDRMHGO-KRWDZBQOSA-N 1 1 434.565 4.241 50 0 IIAAMO CC[NH+](CC)[C@H](CNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000040043245 569483629 /nfs/dbraw/zinc/48/36/29/569483629.db2.gz UTWZKDFKGQSTTF-JOCHJYFZSA-N 1 1 440.565 4.066 50 0 IIAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](Cc3ccc(C(N)=O)cc3)C3CC3)cc2)cc1 ZINC000040059786 569484808 /nfs/dbraw/zinc/48/48/08/569484808.db2.gz XTBJKGLXAHNPFS-UHFFFAOYSA-N 1 1 429.520 4.211 50 0 IIAAMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc2ccccc2[nH]c1=O ZINC000040108142 569488557 /nfs/dbraw/zinc/48/85/57/569488557.db2.gz DWTQTCPTKSKOOH-JOCHJYFZSA-N 1 1 429.545 4.119 50 0 IIAAMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc2ccccc2[nH]c1=O ZINC000040108142 569488558 /nfs/dbraw/zinc/48/85/58/569488558.db2.gz DWTQTCPTKSKOOH-JOCHJYFZSA-N 1 1 429.545 4.119 50 0 IIAAMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc2ccccc2[nH]c1=O ZINC000040108143 569488574 /nfs/dbraw/zinc/48/85/74/569488574.db2.gz DWTQTCPTKSKOOH-QFIPXVFZSA-N 1 1 429.545 4.119 50 0 IIAAMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc2ccccc2[nH]c1=O ZINC000040108143 569488575 /nfs/dbraw/zinc/48/85/75/569488575.db2.gz DWTQTCPTKSKOOH-QFIPXVFZSA-N 1 1 429.545 4.119 50 0 IIAAMO CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)CC(C)C ZINC000245281341 569502120 /nfs/dbraw/zinc/50/21/20/569502120.db2.gz XIYRZRKEMXNQIO-NZQKXSOJSA-N 1 1 444.641 4.290 50 0 IIAAMO CN(Cc1cccs1)C(=O)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000009165848 569508773 /nfs/dbraw/zinc/50/87/73/569508773.db2.gz XAGNLCWNDGLHBQ-UHFFFAOYSA-N 1 1 434.605 4.355 50 0 IIAAMO CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[N@H+]1CCCC[C@@H]1CC ZINC000009473186 569539045 /nfs/dbraw/zinc/53/90/45/569539045.db2.gz BQFCIGRRUIVPIV-OALUTQOASA-N 1 1 444.645 4.058 50 0 IIAAMO