smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1ccc(C[C@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000003798520 552418306 /nfs/dbraw/zinc/41/83/06/552418306.db2.gz XXTWZTPVNIYSJZ-DEOSSOPVSA-N 1 0 521.643 2.142 50 0 in-vitro KEAARO NC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000003807246 552418639 /nfs/dbraw/zinc/41/86/39/552418639.db2.gz XXTWZTPVNIYSJZ-XMMPIXPASA-N 1 0 521.643 2.142 50 0 in-vitro KEAARO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 ZINC000003952359 552423637 /nfs/dbraw/zinc/42/36/37/552423637.db2.gz TVMJSGGZULFVCZ-XMMPIXPASA-N 1 0 529.645 2.051 50 0 in-vivo KEAARO C[N@@H+]1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000003978005 552424485 /nfs/dbraw/zinc/42/44/85/552424485.db2.gz LUZRJRNZXALNLM-JGRZULCMSA-N 1 0 583.689 2.081 50 0 fda KEAARO COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H]([NH3+])[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004016693 552427821 /nfs/dbraw/zinc/42/78/21/552427821.db2.gz JKAMWKLYJHJIFE-YULOIDQLSA-N 1 0 545.592 2.148 50 0 KEAARO CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2C(C)(C)[NH2+]1 ZINC000004177863 552445873 /nfs/dbraw/zinc/44/58/73/552445873.db2.gz JXCFWDPCIFVEOR-UHFFFAOYSA-N 1 0 506.650 2.280 50 0 KEAARO Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)ccc12 ZINC000004534246 552464123 /nfs/dbraw/zinc/46/41/23/552464123.db2.gz SHUBDYUHYODGSC-CLJLJLNGSA-N 1 0 707.785 2.321 50 0 KEAARO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)ccc12 ZINC000004534247 552464158 /nfs/dbraw/zinc/46/41/58/552464158.db2.gz SHUBDYUHYODGSC-IZZNHLLZSA-N 1 0 707.785 2.321 50 0 KEAARO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 ZINC000004534349 552464052 /nfs/dbraw/zinc/46/40/52/552464052.db2.gz DFOSAUPKTFJBLO-WRALFONMSA-N 1 0 627.743 2.328 50 0 KEAARO COc1cc2[nH]c(=O)n(CCCC(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(=O)c2cc1OC ZINC000004766659 552480579 /nfs/dbraw/zinc/48/05/79/552480579.db2.gz WVFQGZLVIMUNPI-UHFFFAOYSA-N 1 0 544.052 2.469 50 0 KEAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008583202 553078932 /nfs/dbraw/zinc/07/89/32/553078932.db2.gz QXNSBADHSJTMCE-IBGZPJMESA-N 1 0 509.426 2.088 50 0 KEAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008583203 553078887 /nfs/dbraw/zinc/07/88/87/553078887.db2.gz QXNSBADHSJTMCE-LJQANCHMSA-N 1 0 509.426 2.088 50 0 KEAARO CCCC[NH+](CCCC)CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008583389 553079303 /nfs/dbraw/zinc/07/93/03/553079303.db2.gz NPQFBKMRGQEUET-UHFFFAOYSA-N 1 0 526.725 2.165 50 0 KEAARO CC(C)C[NH+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)CC(C)C ZINC000008583392 553079300 /nfs/dbraw/zinc/07/93/00/553079300.db2.gz XBFCGTMCTUITNF-UHFFFAOYSA-N 1 0 540.752 2.267 50 0 aggregator KEAARO CCCC[N@H+](CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O ZINC000008591367 553082498 /nfs/dbraw/zinc/08/24/98/553082498.db2.gz RXQZYNODZDCCKV-UHFFFAOYSA-N 1 0 511.714 2.425 50 0 KEAARO CCC[NH+](CCC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O ZINC000008591370 553082530 /nfs/dbraw/zinc/08/25/30/553082530.db2.gz DWNKPSBVIWRXIF-UHFFFAOYSA-N 1 0 511.714 2.425 50 0 KEAARO CCCC[NH+](CCCC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000008596678 553090947 /nfs/dbraw/zinc/09/09/47/553090947.db2.gz WBGZHCPIVYCALM-UHFFFAOYSA-N 1 0 506.669 2.191 50 0 KEAARO NC(=O)C1(N2CCCCC2)CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)CC1 ZINC000008756683 553135892 /nfs/dbraw/zinc/13/58/92/553135892.db2.gz VURSFZWRBGQBNR-UHFFFAOYSA-N 1 0 519.631 2.421 50 0 KEAARO C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)C[N+](C)(C)C)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000008789534 553145714 /nfs/dbraw/zinc/14/57/14/553145714.db2.gz KFPMAYKBBLAZFX-NFNSGCKMSA-N 1 0 504.644 2.155 50 0 biogenic KEAARO COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc(OC)c1OC ZINC000008791884 553147282 /nfs/dbraw/zinc/14/72/82/553147282.db2.gz CNPITRYIWYMFMA-QFIPXVFZSA-N 1 0 533.629 2.440 50 0 biogenic KEAARO C[N@H+](CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)Cc1ccccc1 ZINC000008812729 553150056 /nfs/dbraw/zinc/15/00/56/553150056.db2.gz ZSFWADBMENEWDI-UHFFFAOYSA-N 1 0 502.662 2.158 50 0 KEAARO C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](OC(=O)C[N+](C)(C)C)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000008817788 553153153 /nfs/dbraw/zinc/15/31/53/553153153.db2.gz KFPMAYKBBLAZFX-NMTSKXJGSA-N 1 0 504.644 2.155 50 0 KEAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000009152360 553214306 /nfs/dbraw/zinc/21/43/06/553214306.db2.gz YDSPVVSBIBKHFV-JOCHJYFZSA-N 1 0 509.692 2.287 50 0 KEAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000009152361 553214479 /nfs/dbraw/zinc/21/44/79/553214479.db2.gz YDSPVVSBIBKHFV-QFIPXVFZSA-N 1 0 509.692 2.287 50 0 KEAARO CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000009152372 553214522 /nfs/dbraw/zinc/21/45/22/553214522.db2.gz AMRVQYGJTONZEH-QFIPXVFZSA-N 1 0 509.692 2.143 50 0 KEAARO CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000009152373 553214448 /nfs/dbraw/zinc/21/44/48/553214448.db2.gz AMRVQYGJTONZEH-JOCHJYFZSA-N 1 0 509.692 2.143 50 0 KEAARO Cn1c2nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n(CC(=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000009272750 553232045 /nfs/dbraw/zinc/23/20/45/553232045.db2.gz SVWMGGPNCILVLW-UHFFFAOYSA-N 1 0 516.646 2.407 50 0 KEAARO COCCC[N@H+](CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000009530030 553277523 /nfs/dbraw/zinc/27/75/23/553277523.db2.gz SWMLVEKARQSGNY-RTWAWAEBSA-N 1 0 506.650 2.228 50 0 KEAARO COCCC[N@H+](CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000009530031 553277533 /nfs/dbraw/zinc/27/75/33/553277533.db2.gz SWMLVEKARQSGNY-SFTDATJTSA-N 1 0 506.650 2.228 50 0 KEAARO COc1ccc(CC[NH+]2CCC(CNC(=O)CCc3c(C)nc4c(c3C)c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000009610435 553288470 /nfs/dbraw/zinc/28/84/70/553288470.db2.gz YGTFSFMTJSLGGU-UHFFFAOYSA-N 1 0 521.662 2.261 50 0 KEAARO COc1ccccc1C[NH+]1CCC(CNC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000009610436 553288466 /nfs/dbraw/zinc/28/84/66/553288466.db2.gz WQVAUZJZECFWRI-UHFFFAOYSA-N 1 0 507.635 2.219 50 0 KEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000009610486 553288757 /nfs/dbraw/zinc/28/87/57/553288757.db2.gz TZZVQRFKESSWCO-DENIHFKCSA-N 1 0 514.648 2.259 50 0 KEAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000009610487 553288716 /nfs/dbraw/zinc/28/87/16/553288716.db2.gz TZZVQRFKESSWCO-SIKLNZKXSA-N 1 0 514.648 2.259 50 0 KEAARO CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(N3CCOCC3)cc(C)[nH+]2)CC1 ZINC000009620976 553291896 /nfs/dbraw/zinc/29/18/96/553291896.db2.gz BOSPIZLMIPPJJD-UHFFFAOYSA-N 1 0 526.457 2.294 50 0 KEAARO C[NH+]1CCN(c2ccccc2NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000009677479 553295360 /nfs/dbraw/zinc/29/53/60/553295360.db2.gz GRRNNXSIFXESQF-UHFFFAOYSA-N 1 0 500.650 2.483 50 0 KEAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)CC1 ZINC000009681567 553296999 /nfs/dbraw/zinc/29/69/99/553296999.db2.gz KGSRAEQCLCILCQ-QGZVFWFLSA-N 1 0 500.650 2.483 50 0 KEAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)CC1 ZINC000009681569 553296987 /nfs/dbraw/zinc/29/69/87/553296987.db2.gz KGSRAEQCLCILCQ-KRWDZBQOSA-N 1 0 500.650 2.483 50 0 KEAARO CN(CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1cccc2nsnc21 ZINC000009692617 553298131 /nfs/dbraw/zinc/29/81/31/553298131.db2.gz PLNOWQBJPYCUQT-UHFFFAOYSA-N 1 0 523.084 2.294 50 0 KEAARO CC(C)[N@H+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)Cc1ccccc1 ZINC000009724747 553301504 /nfs/dbraw/zinc/30/15/04/553301504.db2.gz XMXJIYNJJVFDPL-UHFFFAOYSA-N 1 0 526.659 2.200 50 0 KEAARO CCn1cc(C(=O)NCCC[NH+]2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009725971 553301807 /nfs/dbraw/zinc/30/18/07/553301807.db2.gz OPKDSLMPLAGSLS-UHFFFAOYSA-N 1 0 504.653 2.038 50 0 KEAARO CCC[NH+](CCC)CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000009725996 553301890 /nfs/dbraw/zinc/30/18/90/553301890.db2.gz OCAIOHNMLMONHQ-UHFFFAOYSA-N 1 0 506.669 2.284 50 0 KEAARO CCn1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009726025 553301918 /nfs/dbraw/zinc/30/19/18/553301918.db2.gz GDQYUZXZNCNVNE-UHFFFAOYSA-N 1 0 518.680 2.427 50 0 KEAARO CCn1cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009726026 553301963 /nfs/dbraw/zinc/30/19/63/553301963.db2.gz QYFMJBDCQYUNNA-UHFFFAOYSA-N 1 0 520.696 2.386 50 0 KEAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)ncn3n2)cc1 ZINC000009727408 553302143 /nfs/dbraw/zinc/30/21/43/553302143.db2.gz OXFVGAHCKUPSHS-UHFFFAOYSA-N 1 0 507.639 2.023 50 0 KEAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000009747713 553302875 /nfs/dbraw/zinc/30/28/75/553302875.db2.gz RCLRWOYSLCZRJB-UHFFFAOYSA-N 1 0 515.659 2.349 50 0 KEAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3c2=O)c(OC)c1 ZINC000009775963 553304800 /nfs/dbraw/zinc/30/48/00/553304800.db2.gz UHJKNKSBEQKNDH-UHFFFAOYSA-N 1 0 521.618 2.371 50 0 KEAARO CCCC[N@H+](CC)CCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc21 ZINC000009776313 553305506 /nfs/dbraw/zinc/30/55/06/553305506.db2.gz VFEWSPHWKDXTKG-UHFFFAOYSA-N 1 0 509.607 2.371 50 0 KEAARO CCC[NH+](CCC)CCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc21 ZINC000009776314 553305517 /nfs/dbraw/zinc/30/55/17/553305517.db2.gz JNAIFPRNADGCBB-UHFFFAOYSA-N 1 0 509.607 2.371 50 0 KEAARO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCCCCC3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000009835087 553310278 /nfs/dbraw/zinc/31/02/78/553310278.db2.gz FUDQAEFWHPMHGZ-UHFFFAOYSA-N 1 0 509.698 2.323 50 0 KEAARO Cc1sc2ncn(CC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000009835095 553310352 /nfs/dbraw/zinc/31/03/52/553310352.db2.gz KKGNVIISAFRKTE-HDICACEKSA-N 1 0 523.725 2.425 50 0 KEAARO Cc1sc2ncn(CC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000009835098 553310302 /nfs/dbraw/zinc/31/03/02/553310302.db2.gz KKGNVIISAFRKTE-ROUUACIJSA-N 1 0 523.725 2.425 50 0 KEAARO Cc1sc2ncn(CC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000009835101 553310375 /nfs/dbraw/zinc/31/03/75/553310375.db2.gz KKGNVIISAFRKTE-QZTJIDSGSA-N 1 0 523.725 2.425 50 0 KEAARO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCC(C)CC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000009835204 553310348 /nfs/dbraw/zinc/31/03/48/553310348.db2.gz HKZNPUJJTLLLHI-UHFFFAOYSA-N 1 0 523.725 2.425 50 0 KEAARO Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)cc2oc1=O ZINC000009856339 553313588 /nfs/dbraw/zinc/31/35/88/553313588.db2.gz ZJXLWMDLPSYETD-FQEVSTJZSA-N 1 0 500.621 2.171 50 0 KEAARO Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)cc2oc1=O ZINC000009856342 553313525 /nfs/dbraw/zinc/31/35/25/553313525.db2.gz ZJXLWMDLPSYETD-HXUWFJFHSA-N 1 0 500.621 2.171 50 0 KEAARO Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)cc2oc1=O ZINC000009856431 553313573 /nfs/dbraw/zinc/31/35/73/553313573.db2.gz FSLQTBIWNSCGPQ-UHFFFAOYSA-N 1 0 512.632 2.313 50 0 KEAARO CC[NH+](CC)CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2c1=O ZINC000009935711 553318658 /nfs/dbraw/zinc/31/86/58/553318658.db2.gz LUZJIXOOERCLDI-CALCHBBNSA-N 1 0 511.714 2.281 50 0 KEAARO CC[NH+](CC)CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2c1=O ZINC000009935718 553318620 /nfs/dbraw/zinc/31/86/20/553318620.db2.gz LUZJIXOOERCLDI-IRXDYDNUSA-N 1 0 511.714 2.281 50 0 KEAARO CC[NH+](CC)CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1=O ZINC000009935723 553318551 /nfs/dbraw/zinc/31/85/51/553318551.db2.gz LUZJIXOOERCLDI-IAGOWNOFSA-N 1 0 511.714 2.281 50 0 KEAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCC([NH+]4CCCCC4)CC2)C(=O)CO3)CC1 ZINC000009962894 553320617 /nfs/dbraw/zinc/32/06/17/553320617.db2.gz CTMHNAYHQOUDQF-UHFFFAOYSA-N 1 0 518.680 2.310 50 0 KEAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)C(=O)CO3)CC1 ZINC000009962954 553320769 /nfs/dbraw/zinc/32/07/69/553320769.db2.gz VIVSSNFQUWLSLN-FQEVSTJZSA-N 1 0 506.669 2.071 50 0 KEAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)C(=O)CO3)CC1 ZINC000009962956 553320744 /nfs/dbraw/zinc/32/07/44/553320744.db2.gz VIVSSNFQUWLSLN-HXUWFJFHSA-N 1 0 506.669 2.071 50 0 KEAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCC[N@H+](C)C2CCCCC2)C(=O)CO3)CC1 ZINC000009962965 553320777 /nfs/dbraw/zinc/32/07/77/553320777.db2.gz LVGWKVUQDLADNK-UHFFFAOYSA-N 1 0 506.669 2.213 50 0 KEAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCC[NH+]2CCCCCC2)C(=O)CO3)CC1 ZINC000009963013 553320793 /nfs/dbraw/zinc/32/07/93/553320793.db2.gz UUDUJNWFHQAEOC-UHFFFAOYSA-N 1 0 506.669 2.215 50 0 KEAARO CC(C)C[NH+](CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21)CC(C)C ZINC000009963330 553321177 /nfs/dbraw/zinc/32/11/77/553321177.db2.gz IOFHZGFMLRIMOW-UHFFFAOYSA-N 1 0 508.685 2.317 50 0 KEAARO O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000009963342 553321116 /nfs/dbraw/zinc/32/11/16/553321116.db2.gz WBBYFBGKYHQMAY-UHFFFAOYSA-N 1 0 518.680 2.454 50 0 KEAARO C[N@H+](CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)C1CCCCC1 ZINC000009963344 553321150 /nfs/dbraw/zinc/32/11/50/553321150.db2.gz WFTGYEIJYBUKHD-UHFFFAOYSA-N 1 0 506.669 2.357 50 0 KEAARO COc1cc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)cc(OC)c1OC ZINC000011812846 1066359906 /nfs/dbraw/zinc/35/99/06/1066359906.db2.gz JDJTXWRDILIBHQ-QHCPKHFHSA-N 1 0 540.661 2.260 50 0 KEAARO COc1cc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)cc(OC)c1OC ZINC000011812848 1066360156 /nfs/dbraw/zinc/36/01/56/1066360156.db2.gz JDJTXWRDILIBHQ-HSZRJFAPSA-N 1 0 540.661 2.260 50 0 KEAARO COc1cc(OC)cc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)c1 ZINC000011973390 1066359987 /nfs/dbraw/zinc/35/99/87/1066359987.db2.gz ASHOAOOWGJFGAU-QHCPKHFHSA-N 1 0 510.635 2.251 50 0 KEAARO COc1cc(OC)cc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)c1 ZINC000011973401 1066360087 /nfs/dbraw/zinc/36/00/87/1066360087.db2.gz ASHOAOOWGJFGAU-HSZRJFAPSA-N 1 0 510.635 2.251 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000011974887 1066358562 /nfs/dbraw/zinc/35/85/62/1066358562.db2.gz ARJOEAWXQFRJDA-IBGZPJMESA-N 1 0 527.112 2.497 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000011974894 1066360052 /nfs/dbraw/zinc/36/00/52/1066360052.db2.gz ARJOEAWXQFRJDA-LJQANCHMSA-N 1 0 527.112 2.497 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000012209959 1066359636 /nfs/dbraw/zinc/35/96/36/1066359636.db2.gz KQHSKHCVZBEMGA-QFIPXVFZSA-N 1 0 521.083 2.436 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000012209968 1066359858 /nfs/dbraw/zinc/35/98/58/1066359858.db2.gz KQHSKHCVZBEMGA-JOCHJYFZSA-N 1 0 521.083 2.436 50 0 KEAARO COc1ccc(CC[NH2+]CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1OC ZINC000012564038 553396009 /nfs/dbraw/zinc/39/60/09/553396009.db2.gz GQBJEUVSXGJSHX-UHFFFAOYSA-N 1 0 532.663 2.096 50 0 KEAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000013109988 553448167 /nfs/dbraw/zinc/44/81/67/553448167.db2.gz OOKSXEXVZXXNKA-UHFFFAOYSA-N 1 0 502.637 2.340 50 0 KEAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 ZINC000013138255 553453596 /nfs/dbraw/zinc/45/35/96/553453596.db2.gz XUJHYMAWNJWYST-UHFFFAOYSA-N 1 0 506.600 2.171 50 0 KEAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000013165215 553457411 /nfs/dbraw/zinc/45/74/11/553457411.db2.gz SLZRTXIVFIGRNX-UHFFFAOYSA-N 1 0 502.637 2.340 50 0 KEAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000013758042 553488555 /nfs/dbraw/zinc/48/85/55/553488555.db2.gz VEUNLDFQNOXKHA-UHFFFAOYSA-N 1 0 515.611 2.106 50 0 KEAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000013817373 553492903 /nfs/dbraw/zinc/49/29/03/553492903.db2.gz IMOFIOKIGSXYRE-BMEWAZJXSA-N 1 0 515.497 2.470 50 0 KEAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000013817376 553492962 /nfs/dbraw/zinc/49/29/62/553492962.db2.gz IMOFIOKIGSXYRE-PKVHRPSESA-N 1 0 515.497 2.470 50 0 KEAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000013817380 553492968 /nfs/dbraw/zinc/49/29/68/553492968.db2.gz IMOFIOKIGSXYRE-GXCDUKDASA-N 1 0 515.497 2.470 50 0 KEAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 ZINC000013817384 553492913 /nfs/dbraw/zinc/49/29/13/553492913.db2.gz IMOFIOKIGSXYRE-IGGVYQGESA-N 1 0 515.497 2.470 50 0 KEAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCN2CCOCC2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014537083 553518153 /nfs/dbraw/zinc/51/81/53/553518153.db2.gz ILOLRFNWUCDMIU-LOSJGSFVSA-N 1 0 506.647 2.406 50 0 KEAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCN3CCOCC3)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014540108 553518546 /nfs/dbraw/zinc/51/85/46/553518546.db2.gz JDGKADFCQYARPL-BJKOFHAPSA-N 1 0 512.651 2.373 50 0 KEAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCCN3CCOCC3)C2)cc1OC ZINC000014741647 553519618 /nfs/dbraw/zinc/51/96/18/553519618.db2.gz QDVTYYDBQGLSQK-FCHUYYIVSA-N 1 0 528.625 2.368 50 0 KEAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCCN2CCOCC2)C[N@@H+](Cc2ccncc2)C1 ZINC000014743436 553519883 /nfs/dbraw/zinc/51/98/83/553519883.db2.gz WBHJJTCSYUPXCD-IZZNHLLZSA-N 1 0 505.663 2.486 50 0 KEAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCN3CCNC3=O)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014744141 553519874 /nfs/dbraw/zinc/51/98/74/553519874.db2.gz PVAPNIXLDNNTMB-FCHUYYIVSA-N 1 0 511.623 2.066 50 0 KEAARO C[N@@H+]1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000014880002 553520758 /nfs/dbraw/zinc/52/07/58/553520758.db2.gz LUZRJRNZXALNLM-VWVCNJKPSA-N 1 0 583.689 2.081 50 0 world KEAARO CC[NH+]1CCC(N2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000014885069 1066425615 /nfs/dbraw/zinc/42/56/15/1066425615.db2.gz ZJJWDJMQIMCFMX-FPOVZHCZSA-N 1 0 508.545 2.500 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014954243 1066426079 /nfs/dbraw/zinc/42/60/79/1066426079.db2.gz XWIDSRQUBHVTNA-FQEVSTJZSA-N 1 0 522.618 2.061 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014954248 1066426272 /nfs/dbraw/zinc/42/62/72/1066426272.db2.gz XWIDSRQUBHVTNA-HXUWFJFHSA-N 1 0 522.618 2.061 50 0 KEAARO COc1ccc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)c(OC)c1 ZINC000014959209 553522363 /nfs/dbraw/zinc/52/23/63/553522363.db2.gz WLDBTEVZQPNWGY-QFIPXVFZSA-N 1 0 510.635 2.251 50 0 KEAARO COc1ccc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)c(OC)c1 ZINC000014959215 553522391 /nfs/dbraw/zinc/52/23/91/553522391.db2.gz WLDBTEVZQPNWGY-JOCHJYFZSA-N 1 0 510.635 2.251 50 0 KEAARO COc1ccc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)cc1OC ZINC000014962103 553522671 /nfs/dbraw/zinc/52/26/71/553522671.db2.gz TUZZCWRJFSTWFK-QHCPKHFHSA-N 1 0 510.635 2.251 50 0 KEAARO COc1ccc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)cc1OC ZINC000014962108 553522635 /nfs/dbraw/zinc/52/26/35/553522635.db2.gz TUZZCWRJFSTWFK-HSZRJFAPSA-N 1 0 510.635 2.251 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014986808 1066426289 /nfs/dbraw/zinc/42/62/89/1066426289.db2.gz IURGGVBAQRWCLF-QFIPXVFZSA-N 1 0 521.083 2.436 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014986809 1066359699 /nfs/dbraw/zinc/35/96/99/1066359699.db2.gz IURGGVBAQRWCLF-JOCHJYFZSA-N 1 0 521.083 2.436 50 0 KEAARO COc1ccc(OC)c(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)c1 ZINC000014989293 553523783 /nfs/dbraw/zinc/52/37/83/553523783.db2.gz MONMCDLCAKJEDL-QFIPXVFZSA-N 1 0 510.635 2.251 50 0 KEAARO COc1ccc(OC)c(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)c1 ZINC000014989296 553523900 /nfs/dbraw/zinc/52/39/00/553523900.db2.gz MONMCDLCAKJEDL-JOCHJYFZSA-N 1 0 510.635 2.251 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014991088 1066426523 /nfs/dbraw/zinc/42/65/23/1066426523.db2.gz ALUZYAJASBWOOW-VWLOTQADSA-N 1 0 533.673 2.361 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014991090 1066426184 /nfs/dbraw/zinc/42/61/84/1066426184.db2.gz ALUZYAJASBWOOW-RUZDIDTESA-N 1 0 533.673 2.361 50 0 KEAARO Cc1ccc(F)cc1S(=O)(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@@H]3CCC(=O)N3)c2)CC1 ZINC000014993677 1066426328 /nfs/dbraw/zinc/42/63/28/1066426328.db2.gz GQAMRZZDBAEPFX-QHCPKHFHSA-N 1 0 518.655 2.230 50 0 KEAARO Cc1ccc(F)cc1S(=O)(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000014993680 1066426421 /nfs/dbraw/zinc/42/64/21/1066426421.db2.gz GQAMRZZDBAEPFX-HSZRJFAPSA-N 1 0 518.655 2.230 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000015000762 1066426137 /nfs/dbraw/zinc/42/61/37/1066426137.db2.gz BKKBZOWEUYCKPT-SANMLTNESA-N 1 0 535.689 2.070 50 0 KEAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000015000765 1066426236 /nfs/dbraw/zinc/42/62/36/1066426236.db2.gz BKKBZOWEUYCKPT-AREMUKBSSA-N 1 0 535.689 2.070 50 0 KEAARO COc1ccccc1-c1ccc(C(=O)NCCN2CCOCC2)c(N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)n1 ZINC000015069436 553527386 /nfs/dbraw/zinc/52/73/86/553527386.db2.gz IWDXWJUXCMVESW-HSZRJFAPSA-N 1 0 537.705 2.492 50 0 KEAARO COc1ccccc1-c1ccc(C(=O)NCCN2CCOCC2)c(N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)n1 ZINC000015069438 553527381 /nfs/dbraw/zinc/52/73/81/553527381.db2.gz IWDXWJUXCMVESW-QHCPKHFHSA-N 1 0 537.705 2.492 50 0 KEAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000015320682 553531834 /nfs/dbraw/zinc/53/18/34/553531834.db2.gz XWLRTNZHBAPKED-OMCBRXDHSA-N 1 0 507.612 2.318 50 0 KEAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015959074 553546561 /nfs/dbraw/zinc/54/65/61/553546561.db2.gz HLUDPJMHBYAGPQ-CQBMSCNUSA-N 1 0 524.961 2.016 50 0 biogenic KEAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015959076 553546539 /nfs/dbraw/zinc/54/65/39/553546539.db2.gz HLUDPJMHBYAGPQ-FGFYRLLUSA-N 1 0 524.961 2.016 50 0 biogenic KEAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016010363 553550776 /nfs/dbraw/zinc/55/07/76/553550776.db2.gz VAAIETQDVNBDGV-NARGUJOISA-N 1 0 501.370 2.488 50 0 KEAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016010364 553550790 /nfs/dbraw/zinc/55/07/90/553550790.db2.gz VAAIETQDVNBDGV-DOGKRZLPSA-N 1 0 501.370 2.488 50 0 KEAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016010365 553550710 /nfs/dbraw/zinc/55/07/10/553550710.db2.gz VAAIETQDVNBDGV-SYSFZUQMSA-N 1 0 501.370 2.488 50 0 KEAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](CCC(N)=O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000016010366 553550704 /nfs/dbraw/zinc/55/07/04/553550704.db2.gz VAAIETQDVNBDGV-BKJGLDIHSA-N 1 0 501.370 2.488 50 0 KEAARO C=CCOc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000016035966 1066354564 /nfs/dbraw/zinc/35/45/64/1066354564.db2.gz NIGRPUQKLBRZCR-RTWAWAEBSA-N 1 0 504.587 2.112 50 0 KEAARO C[C@]12CC[C@@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)C[N+](C)(C)C)CC[C@@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000016945450 553584532 /nfs/dbraw/zinc/58/45/32/553584532.db2.gz KFPMAYKBBLAZFX-HFSBEDJWSA-N 1 0 504.644 2.155 50 0 KEAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3cccc(I)c3)CC2)[nH+]1 ZINC000017012492 553586221 /nfs/dbraw/zinc/58/62/21/553586221.db2.gz SIKSWYQJGFGZEI-UHFFFAOYSA-N 1 0 506.392 2.104 50 0 KEAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccccc3I)CC2)[nH+]1 ZINC000017012602 553586213 /nfs/dbraw/zinc/58/62/13/553586213.db2.gz VINPWXCBFUHQLS-UHFFFAOYSA-N 1 0 506.392 2.104 50 0 KEAARO COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(N3CCN(C)CC3)cc(C)[nH+]2)CC1 ZINC000017012655 553586259 /nfs/dbraw/zinc/58/62/59/553586259.db2.gz OISHBQZVWCHELT-UHFFFAOYSA-N 1 0 502.685 2.354 50 0 KEAARO CC[C@]12C=CC[N@@H+]3CC[C@]4(c5cc(Br)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000017307510 553593139 /nfs/dbraw/zinc/59/31/39/553593139.db2.gz OTYOQSWRKXGMLS-IYJDUVQVSA-N 1 0 535.435 2.404 50 0 biogenic KEAARO CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017356984 553594258 /nfs/dbraw/zinc/59/42/58/553594258.db2.gz VZYWQJPDTSQJTK-OAQYLSRUSA-N 1 0 532.688 2.312 50 0 KEAARO CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017356986 553594233 /nfs/dbraw/zinc/59/42/33/553594233.db2.gz VZYWQJPDTSQJTK-NRFANRHFSA-N 1 0 532.688 2.312 50 0 KEAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000017357224 553594529 /nfs/dbraw/zinc/59/45/29/553594529.db2.gz FDSWTQNSIAIYOU-UHFFFAOYSA-N 1 0 548.750 2.243 50 0 KEAARO COc1cccc(OC)c1C(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@@H]3CCC(=O)N3)c2)CC1 ZINC000019228497 553612793 /nfs/dbraw/zinc/61/27/93/553612793.db2.gz HYWNUTJZVLVYSQ-QFIPXVFZSA-N 1 0 510.635 2.251 50 0 KEAARO COc1cccc(OC)c1C(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000019228499 553612729 /nfs/dbraw/zinc/61/27/29/553612729.db2.gz HYWNUTJZVLVYSQ-JOCHJYFZSA-N 1 0 510.635 2.251 50 0 KEAARO COc1ccc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000019626454 553614897 /nfs/dbraw/zinc/61/48/97/553614897.db2.gz ZGPRPLYNYKOVNJ-UHFFFAOYSA-N 1 0 528.650 2.279 50 0 KEAARO CC(C)Oc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000019703443 553615296 /nfs/dbraw/zinc/61/52/96/553615296.db2.gz DYCDENDPVZVNHK-RTWAWAEBSA-N 1 0 506.603 2.334 50 0 biogenic KEAARO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019790746 553616461 /nfs/dbraw/zinc/61/64/61/553616461.db2.gz PNFONEPQLSWTAH-JOCHJYFZSA-N 1 0 517.582 2.360 50 0 KEAARO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019790747 553616483 /nfs/dbraw/zinc/61/64/83/553616483.db2.gz PNFONEPQLSWTAH-QFIPXVFZSA-N 1 0 517.582 2.360 50 0 KEAARO COc1cc(OC)cc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3cc(OC)cc(OC)c3)CC2)c1 ZINC000019832084 553622976 /nfs/dbraw/zinc/62/29/76/553622976.db2.gz JBWOXAWFZYIXNQ-UHFFFAOYSA-N 1 0 528.650 2.279 50 0 KEAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019943764 553646211 /nfs/dbraw/zinc/64/62/11/553646211.db2.gz DBHJTYOIUWPXPN-DHIUTWEWSA-N 1 0 510.591 2.236 50 0 KEAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019943768 553646203 /nfs/dbraw/zinc/64/62/03/553646203.db2.gz DBHJTYOIUWPXPN-XZOQPEGZSA-N 1 0 510.591 2.236 50 0 KEAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019943772 553646185 /nfs/dbraw/zinc/64/61/85/553646185.db2.gz DBHJTYOIUWPXPN-PKTZIBPZSA-N 1 0 510.591 2.236 50 0 KEAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccccc3)CC2)=[NH+][C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019943776 553646208 /nfs/dbraw/zinc/64/62/08/553646208.db2.gz DBHJTYOIUWPXPN-GOTSBHOMSA-N 1 0 510.591 2.236 50 0 KEAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114961 553695962 /nfs/dbraw/zinc/69/59/62/553695962.db2.gz QSJDHUZXWMENLS-HSZRJFAPSA-N 1 0 523.659 2.442 50 0 KEAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000020114962 553695976 /nfs/dbraw/zinc/69/59/76/553695976.db2.gz QSJDHUZXWMENLS-QHCPKHFHSA-N 1 0 523.659 2.442 50 0 KEAARO O=C(CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020152718 553596553 /nfs/dbraw/zinc/59/65/53/553596553.db2.gz QWBPLSDQXJJICL-UHFFFAOYSA-N 1 0 531.657 2.393 50 0 KEAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020209528 553610167 /nfs/dbraw/zinc/61/01/67/553610167.db2.gz HCUHLAGHYOWHOQ-UHFFFAOYSA-N 1 0 528.704 2.026 50 0 KEAARO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020215886 553614106 /nfs/dbraw/zinc/61/41/06/553614106.db2.gz JJPXOHMKFGACLA-HSZRJFAPSA-N 1 0 503.669 2.016 50 0 KEAARO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020215889 553614087 /nfs/dbraw/zinc/61/40/87/553614087.db2.gz JJPXOHMKFGACLA-QHCPKHFHSA-N 1 0 503.669 2.016 50 0 KEAARO CCOCCn1c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020235362 553621676 /nfs/dbraw/zinc/62/16/76/553621676.db2.gz RXHVZCHUIOPGFI-UHFFFAOYSA-N 1 0 516.646 2.377 50 0 KEAARO CCn1cc(C(=O)NCCCN2CC[NH+](C)CC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000020240399 553626416 /nfs/dbraw/zinc/62/64/16/553626416.db2.gz CHVFPENDVNRHOV-UHFFFAOYSA-N 1 0 531.723 2.342 50 0 KEAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000020323282 553638246 /nfs/dbraw/zinc/63/82/46/553638246.db2.gz ONRCXDJCENVZCY-UHFFFAOYSA-N 1 0 504.653 2.492 50 0 KEAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000020323311 553638233 /nfs/dbraw/zinc/63/82/33/553638233.db2.gz OSZAZRXZFUEZJU-UHFFFAOYSA-N 1 0 504.653 2.492 50 0 KEAARO Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CC[NH+](Cc5ccccc5)CC4)C3)cc2oc1=O ZINC000020327077 553639121 /nfs/dbraw/zinc/63/91/21/553639121.db2.gz IJURXOHUROWSIC-HXUWFJFHSA-N 1 0 512.632 2.313 50 0 KEAARO Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CC[NH+](Cc5ccccc5)CC4)C3)cc2oc1=O ZINC000020327084 553639153 /nfs/dbraw/zinc/63/91/53/553639153.db2.gz IJURXOHUROWSIC-FQEVSTJZSA-N 1 0 512.632 2.313 50 0 KEAARO COc1cccc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)c1OC ZINC000020351605 1066215282 /nfs/dbraw/zinc/21/52/82/1066215282.db2.gz KZZSIBPTKOBNOL-QFIPXVFZSA-N 1 0 510.635 2.251 50 0 KEAARO COc1cccc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)c1OC ZINC000020351610 1066215364 /nfs/dbraw/zinc/21/53/64/1066215364.db2.gz KZZSIBPTKOBNOL-JOCHJYFZSA-N 1 0 510.635 2.251 50 0 KEAARO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CC[NH+](C4CCCCC4)CC2)C(=O)CO3)CC1 ZINC000020355154 553640756 /nfs/dbraw/zinc/64/07/56/553640756.db2.gz QYGPVYVDMGLXIB-UHFFFAOYSA-N 1 0 518.680 2.310 50 0 KEAARO O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000020355486 553641637 /nfs/dbraw/zinc/64/16/37/553641637.db2.gz CKJOJLDIXMLNDZ-UHFFFAOYSA-N 1 0 518.680 2.454 50 0 KEAARO C=C1C(N2CCC(C(=O)NCCN3CC[NH+](CC)CC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389469 553644718 /nfs/dbraw/zinc/64/47/18/553644718.db2.gz SFLJYCMMVNIKLD-UHFFFAOYSA-N 1 0 501.697 2.242 50 0 KEAARO C=C1C(N2CCC(C(=O)NCCCN3CC[NH+](C)CC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389491 553644766 /nfs/dbraw/zinc/64/47/66/553644766.db2.gz AAWZWGFHKAKRBN-UHFFFAOYSA-N 1 0 501.697 2.242 50 0 KEAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000020533023 553670691 /nfs/dbraw/zinc/67/06/91/553670691.db2.gz BMFIKUSQEPECDR-RUZDIDTESA-N 1 0 505.729 2.143 50 0 KEAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000020533024 553670725 /nfs/dbraw/zinc/67/07/25/553670725.db2.gz BMFIKUSQEPECDR-VWLOTQADSA-N 1 0 505.729 2.143 50 0 KEAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)[nH]c(=O)n(C[C@@H]1CCCO1)c2=O ZINC000020616847 553680051 /nfs/dbraw/zinc/68/00/51/553680051.db2.gz VIYCUPHTDKMBHY-QFIPXVFZSA-N 1 0 526.037 2.464 50 0 KEAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)[nH]c(=O)n(C[C@H]1CCCO1)c2=O ZINC000020616850 553679963 /nfs/dbraw/zinc/67/99/63/553679963.db2.gz VIYCUPHTDKMBHY-JOCHJYFZSA-N 1 0 526.037 2.464 50 0 KEAARO CC(C)C[NH+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21)CC(C)C ZINC000020683157 553688517 /nfs/dbraw/zinc/68/85/17/553688517.db2.gz ZFZGLWVXPQRNCD-UHFFFAOYSA-N 1 0 506.669 2.283 50 0 KEAARO CCC[NH+]1CCN(CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCCC4)cc32)CC1 ZINC000020685693 553689002 /nfs/dbraw/zinc/68/90/02/553689002.db2.gz KDTCGCYQZYNFDO-UHFFFAOYSA-N 1 0 517.696 2.240 50 0 KEAARO CCC[NH+]1CCN(CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc32)CC1 ZINC000020686706 553689277 /nfs/dbraw/zinc/68/92/77/553689277.db2.gz WMIIXQDTWIFACV-FQEVSTJZSA-N 1 0 517.696 2.239 50 0 KEAARO CCC[NH+]1CCN(CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc32)CC1 ZINC000020686712 553689332 /nfs/dbraw/zinc/68/93/32/553689332.db2.gz WMIIXQDTWIFACV-HXUWFJFHSA-N 1 0 517.696 2.239 50 0 KEAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000021025985 553705898 /nfs/dbraw/zinc/70/58/98/553705898.db2.gz PIXAKVUYSPHXMV-FQEVSTJZSA-N 1 0 501.632 2.101 50 0 KEAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000021025996 553705946 /nfs/dbraw/zinc/70/59/46/553705946.db2.gz PIXAKVUYSPHXMV-HXUWFJFHSA-N 1 0 501.632 2.101 50 0 KEAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026944 553705944 /nfs/dbraw/zinc/70/59/44/553705944.db2.gz XVKOGPHCAPOWCG-LJQANCHMSA-N 1 0 515.659 2.349 50 0 KEAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026956 553705884 /nfs/dbraw/zinc/70/58/84/553705884.db2.gz XVKOGPHCAPOWCG-IBGZPJMESA-N 1 0 515.659 2.349 50 0 KEAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021027101 553705910 /nfs/dbraw/zinc/70/59/10/553705910.db2.gz IBOIDFPEGITVKY-HXUWFJFHSA-N 1 0 503.717 2.338 50 0 KEAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021027111 553705925 /nfs/dbraw/zinc/70/59/25/553705925.db2.gz IBOIDFPEGITVKY-FQEVSTJZSA-N 1 0 503.717 2.338 50 0 KEAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000021027343 553705950 /nfs/dbraw/zinc/70/59/50/553705950.db2.gz SJIZNJNIJCAUBC-UHFFFAOYSA-N 1 0 511.696 2.205 50 0 KEAARO O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021112212 553706587 /nfs/dbraw/zinc/70/65/87/553706587.db2.gz XOYLSYLEXFTCBT-UHFFFAOYSA-N 1 0 510.660 2.435 50 0 KEAARO CN1C(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876166 553718854 /nfs/dbraw/zinc/71/88/54/553718854.db2.gz UHJLTSGURMUSKZ-LJAQVGFWSA-N 1 0 514.630 2.438 50 0 KEAARO CN1C(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876169 553718835 /nfs/dbraw/zinc/71/88/35/553718835.db2.gz UHJLTSGURMUSKZ-GDLZYMKVSA-N 1 0 514.630 2.438 50 0 KEAARO CN1C(=O)c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876266 553718908 /nfs/dbraw/zinc/71/89/08/553718908.db2.gz REUIRFJNWVBQAU-LJAQVGFWSA-N 1 0 514.630 2.222 50 0 KEAARO CN1C(=O)c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876269 553718749 /nfs/dbraw/zinc/71/87/49/553718749.db2.gz REUIRFJNWVBQAU-GDLZYMKVSA-N 1 0 514.630 2.222 50 0 KEAARO CN1C(=O)c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876794 553719127 /nfs/dbraw/zinc/71/91/27/553719127.db2.gz BNJSBDDZHHZLLU-LJAQVGFWSA-N 1 0 532.620 2.361 50 0 KEAARO CN1C(=O)c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876796 553719224 /nfs/dbraw/zinc/71/92/24/553719224.db2.gz BNJSBDDZHHZLLU-GDLZYMKVSA-N 1 0 532.620 2.361 50 0 KEAARO CCN1C(=O)c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877550 553719712 /nfs/dbraw/zinc/71/97/12/553719712.db2.gz CFOJTAUCLUSIMR-NDEPHWFRSA-N 1 0 506.651 2.355 50 0 KEAARO CCN1C(=O)c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877552 553719601 /nfs/dbraw/zinc/71/96/01/553719601.db2.gz CFOJTAUCLUSIMR-MUUNZHRXSA-N 1 0 506.651 2.355 50 0 KEAARO Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CCC([NH+]4CCCCC4)CC3)CC1)OCC(=O)N2 ZINC000021882862 553720826 /nfs/dbraw/zinc/72/08/26/553720826.db2.gz VGPMGIASIJQFIN-UHFFFAOYSA-N 1 0 504.653 2.204 50 0 KEAARO Cc1cn2c3c(nc2n1CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)n(C)c(=O)n(C)c3=O ZINC000022820932 553751391 /nfs/dbraw/zinc/75/13/91/553751391.db2.gz WBILUDCGKSHYNV-UHFFFAOYSA-N 1 0 511.630 2.402 50 0 KEAARO CC[NH+](CC)CCN(C[C@@H](O)COCc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000022921086 553767104 /nfs/dbraw/zinc/76/71/04/553767104.db2.gz GLEVTDAVJUFVMD-DNQXCXABSA-N 1 0 532.634 2.243 50 0 KEAARO CC[NH+](CC)CCN(C[C@@H](O)COCc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000022921091 553767084 /nfs/dbraw/zinc/76/70/84/553767084.db2.gz GLEVTDAVJUFVMD-PSWAGMNNSA-N 1 0 532.634 2.243 50 0 KEAARO CC[NH+](CC)CCN(C[C@H](O)COCc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000022921097 553767131 /nfs/dbraw/zinc/76/71/31/553767131.db2.gz GLEVTDAVJUFVMD-ZEQRLZLVSA-N 1 0 532.634 2.243 50 0 KEAARO C[NH+]1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n(C3CCCC3)c2=S)CC1 ZINC000022922104 553767117 /nfs/dbraw/zinc/76/71/17/553767117.db2.gz LYMQDTSXLXSQTP-UHFFFAOYSA-N 1 0 506.698 2.422 50 0 KEAARO CCn1cc(C(=O)NCCCN2CC[NH+](C)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000022947459 553768471 /nfs/dbraw/zinc/76/84/71/553768471.db2.gz FIGNUVNCTXRQLW-UHFFFAOYSA-N 1 0 551.713 2.136 50 0 KEAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(I)cc3)CC2)[nH+]1 ZINC000024023234 553788438 /nfs/dbraw/zinc/78/84/38/553788438.db2.gz LHTCARFZGWFSMF-UHFFFAOYSA-N 1 0 506.392 2.104 50 0 KEAARO CC[N@@H+]1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14 ZINC000024707797 553791315 /nfs/dbraw/zinc/79/13/15/553791315.db2.gz XLTANAWLDBYGFU-VTLKBQQISA-N 1 0 682.811 2.035 50 0 in-vitro KEAARO COc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc(OC)c1OC ZINC000025107081 553792902 /nfs/dbraw/zinc/79/29/02/553792902.db2.gz CNPITRYIWYMFMA-JOCHJYFZSA-N 1 0 533.629 2.440 50 0 KEAARO COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000029412110 553844729 /nfs/dbraw/zinc/84/47/29/553844729.db2.gz HAVJATCHLFRDHY-KSZYUSJVSA-N 1 0 531.602 2.191 50 0 biogenic,in-vitro KEAARO Cc1sc2ncn(CC(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000029752557 553853703 /nfs/dbraw/zinc/85/37/03/553853703.db2.gz NVCSMYKWGGOMAL-UHFFFAOYSA-N 1 0 650.831 2.404 50 0 KEAARO CC[N@@H+]1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC ZINC000030726650 553855575 /nfs/dbraw/zinc/85/55/75/553855575.db2.gz NWBWCXBPKTTZNQ-QOQRDJBUSA-N 1 0 584.710 2.222 50 0 biogenic,in-vitro KEAARO Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC1)OCC(=O)N2 ZINC000032958580 553881782 /nfs/dbraw/zinc/88/17/82/553881782.db2.gz SWGNZRSNPNTYFZ-UHFFFAOYSA-N 1 0 504.653 2.204 50 0 KEAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(C)cc2)CC1 ZINC000033000529 553887995 /nfs/dbraw/zinc/88/79/95/553887995.db2.gz RXXCXPOGBXBIDF-UHFFFAOYSA-N 1 0 502.637 2.175 50 0 KEAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC000033000538 553888054 /nfs/dbraw/zinc/88/80/54/553888054.db2.gz RNTHSDBHBBCADW-LJQANCHMSA-N 1 0 520.627 2.395 50 0 KEAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000033000541 553888059 /nfs/dbraw/zinc/88/80/59/553888059.db2.gz RNTHSDBHBBCADW-IBGZPJMESA-N 1 0 520.627 2.395 50 0 KEAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000033000549 553888015 /nfs/dbraw/zinc/88/80/15/553888015.db2.gz WKAQNHSTGZJCOB-UHFFFAOYSA-N 1 0 515.636 2.060 50 0 KEAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1 ZINC000033024761 553889234 /nfs/dbraw/zinc/88/92/34/553889234.db2.gz GMLIZMAIHPDFIC-MRXNPFEDSA-N 1 0 516.624 2.219 50 0 KEAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1 ZINC000033024762 553889252 /nfs/dbraw/zinc/88/92/52/553889252.db2.gz GMLIZMAIHPDFIC-INIZCTEOSA-N 1 0 516.624 2.219 50 0 KEAARO O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCOCC1 ZINC000033032943 553891748 /nfs/dbraw/zinc/89/17/48/553891748.db2.gz CIQBQZJMSXIFRY-UHFFFAOYSA-N 1 0 509.426 2.132 50 0 KEAARO O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2ccccn2)CC1 ZINC000033033008 553891612 /nfs/dbraw/zinc/89/16/12/553891612.db2.gz SPYDOGSUWCMIQG-UHFFFAOYSA-N 1 0 506.632 2.254 50 0 KEAARO CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033100 553891819 /nfs/dbraw/zinc/89/18/19/553891819.db2.gz MIAJKICAMWLCDK-UHFFFAOYSA-N 1 0 508.044 2.149 50 0 KEAARO CCN(CC)C(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000033033188 553892267 /nfs/dbraw/zinc/89/22/67/553892267.db2.gz BXHOFGFMWXTKMS-UHFFFAOYSA-N 1 0 501.653 2.146 50 0 KEAARO Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)N(C)CC(=O)N3CCCC3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033217 553892250 /nfs/dbraw/zinc/89/22/50/553892250.db2.gz ASFNCWYKFHNBMY-UHFFFAOYSA-N 1 0 513.664 2.208 50 0 KEAARO CCN(CC)C(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000033033220 553892204 /nfs/dbraw/zinc/89/22/04/553892204.db2.gz OSTFMAQTRMMBTQ-UHFFFAOYSA-N 1 0 515.680 2.454 50 0 KEAARO CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000033033222 553892257 /nfs/dbraw/zinc/89/22/57/553892257.db2.gz GYBGWLYQTOMMLA-UHFFFAOYSA-N 1 0 501.653 2.112 50 0 KEAARO CCN(CC)C(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033033334 553892275 /nfs/dbraw/zinc/89/22/75/553892275.db2.gz IHWZGEXBNHVXRV-UHFFFAOYSA-N 1 0 515.680 2.454 50 0 KEAARO CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000033033365 553892613 /nfs/dbraw/zinc/89/26/13/553892613.db2.gz ZRZRJCPUACDSSV-UHFFFAOYSA-N 1 0 501.653 2.112 50 0 KEAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)CC(=O)N(CC)CC)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033477 553892646 /nfs/dbraw/zinc/89/26/46/553892646.db2.gz KXZVFPZKBBMICV-UHFFFAOYSA-N 1 0 515.680 2.400 50 0 KEAARO CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(CC)cc2)c1 ZINC000033033479 553892480 /nfs/dbraw/zinc/89/24/80/553892480.db2.gz XLVBEPAMURHLKP-UHFFFAOYSA-N 1 0 501.653 2.058 50 0 KEAARO CCOC(=O)N1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccccc3C)c2)CC1 ZINC000033033492 553892538 /nfs/dbraw/zinc/89/25/38/553892538.db2.gz OGNJSVSJUNIAOM-UHFFFAOYSA-N 1 0 515.636 2.120 50 0 KEAARO CCN(CC)C(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2C)c1 ZINC000033033522 553892519 /nfs/dbraw/zinc/89/25/19/553892519.db2.gz AUSVFPJKYTYTLC-UHFFFAOYSA-N 1 0 501.653 2.146 50 0 KEAARO CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCN(CC)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033534 553892765 /nfs/dbraw/zinc/89/27/65/553892765.db2.gz BCWIZKXKYLFLNP-UHFFFAOYSA-N 1 0 501.653 2.073 50 0 KEAARO CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(CCC)cc2)c1 ZINC000033033628 553892929 /nfs/dbraw/zinc/89/29/29/553892929.db2.gz HYDGSEKJJBQAEQ-UHFFFAOYSA-N 1 0 515.680 2.448 50 0 KEAARO CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000033033644 553893071 /nfs/dbraw/zinc/89/30/71/553893071.db2.gz BQXWKARXKGXLOO-UHFFFAOYSA-N 1 0 515.680 2.420 50 0 KEAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000033058936 553904366 /nfs/dbraw/zinc/90/43/66/553904366.db2.gz JGNJGENDGWLEBI-CMDGGOBGSA-N 1 0 533.670 2.447 50 0 KEAARO CC[NH+]1CCN(CCNC(=O)CCCn2nc(C)c3nn(-c4ccccc4)c(-n4cccc4)c3c2=O)CC1 ZINC000033261395 553916175 /nfs/dbraw/zinc/91/61/75/553916175.db2.gz MCNXTIKXTWUUMX-UHFFFAOYSA-N 1 0 516.650 2.215 50 0 KEAARO COCCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000033262976 553916149 /nfs/dbraw/zinc/91/61/49/553916149.db2.gz HAMDGTKHLZPPNF-XMMPIXPASA-N 1 0 518.684 2.098 50 0 KEAARO COCCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000033262977 553916287 /nfs/dbraw/zinc/91/62/87/553916287.db2.gz HAMDGTKHLZPPNF-DEOSSOPVSA-N 1 0 518.684 2.098 50 0 KEAARO Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)n[nH]1 ZINC000033356048 553938560 /nfs/dbraw/zinc/93/85/60/553938560.db2.gz YBQWYLMKQSKBIN-UHFFFAOYSA-N 1 0 543.628 2.004 50 0 KEAARO O=C(Nc1snnc1C(=O)N1CCC([NH+]2CCCCC2)CC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033435754 553960202 /nfs/dbraw/zinc/96/02/02/553960202.db2.gz IHRNKMCDZIXXFY-MSOLQXFVSA-N 1 0 511.652 2.442 50 0 KEAARO CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)C[NH+]4CCCCC4)CC3)n2)CC1 ZINC000034677810 553984043 /nfs/dbraw/zinc/98/40/43/553984043.db2.gz QJDYGOFKAUVZDA-RUZDIDTESA-N 1 0 524.710 2.164 50 0 KEAARO CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)C[NH+]4CCCCC4)CC3)n2)CC1 ZINC000034677811 553984005 /nfs/dbraw/zinc/98/40/05/553984005.db2.gz QJDYGOFKAUVZDA-VWLOTQADSA-N 1 0 524.710 2.164 50 0 KEAARO COc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N(CC[NH+](C)C)Cc2ccccc2)C3)c1OC ZINC000034792677 554008290 /nfs/dbraw/zinc/00/82/90/554008290.db2.gz BFJAYNQAGNIPIL-VWLOTQADSA-N 1 0 521.618 2.087 50 0 KEAARO COc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N(CC[NH+](C)C)Cc2ccccc2)C3)c1OC ZINC000034792679 554008287 /nfs/dbraw/zinc/00/82/87/554008287.db2.gz BFJAYNQAGNIPIL-RUZDIDTESA-N 1 0 521.618 2.087 50 0 KEAARO CCN1CCN(C(=O)C2CC[NH+](C3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)CC1 ZINC000034912391 554029540 /nfs/dbraw/zinc/02/95/40/554029540.db2.gz FKXDXOJJWWMDCG-UHFFFAOYSA-N 1 0 502.656 2.193 50 0 KEAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C1)OCC(=O)N2 ZINC000035378806 554046255 /nfs/dbraw/zinc/04/62/55/554046255.db2.gz JDISWCPUMLXUTC-IBGZPJMESA-N 1 0 504.653 2.204 50 0 KEAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C1)OCC(=O)N2 ZINC000035378807 554046263 /nfs/dbraw/zinc/04/62/63/554046263.db2.gz JDISWCPUMLXUTC-LJQANCHMSA-N 1 0 504.653 2.204 50 0 KEAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C1)OCC(=O)N2 ZINC000035378962 554046568 /nfs/dbraw/zinc/04/65/68/554046568.db2.gz JTFKFIGVSAOLJE-QFIPXVFZSA-N 1 0 526.659 2.291 50 0 KEAARO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C1)OCC(=O)N2 ZINC000035378963 554046631 /nfs/dbraw/zinc/04/66/31/554046631.db2.gz JTFKFIGVSAOLJE-JOCHJYFZSA-N 1 0 526.659 2.291 50 0 KEAARO CCC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCCC3)CC2)CC1 ZINC000035404871 554048834 /nfs/dbraw/zinc/04/88/34/554048834.db2.gz JROHKUGXIDIGSC-UHFFFAOYSA-N 1 0 507.701 2.213 50 0 KEAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000035806684 554075683 /nfs/dbraw/zinc/07/56/83/554075683.db2.gz HLUDPJMHBYAGPQ-VROSSTTESA-N 1 0 524.961 2.016 50 0 biogenic KEAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000035806686 554075747 /nfs/dbraw/zinc/07/57/47/554075747.db2.gz HLUDPJMHBYAGPQ-KYFAXANOSA-N 1 0 524.961 2.016 50 0 biogenic KEAARO COc1ccc(CC(=O)N2CCN(c3nc(C[N@H+](C)CCc4ccc(OC)c(OC)c4)cc(=O)[nH]3)CC2)cc1 ZINC000035926313 554099238 /nfs/dbraw/zinc/09/92/38/554099238.db2.gz DKPPYKNXTWBLNY-UHFFFAOYSA-N 1 0 535.645 2.362 50 0 KEAARO O=C(CCc1ccccc1)N1CCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926330 554099011 /nfs/dbraw/zinc/09/90/11/554099011.db2.gz NVYZFNZBIDBLTI-UHFFFAOYSA-N 1 0 500.647 2.369 50 0 KEAARO COc1cccc(OC)c1C(=O)N1CCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926338 554099043 /nfs/dbraw/zinc/09/90/43/554099043.db2.gz WRBPJWKJPXNNCI-UHFFFAOYSA-N 1 0 532.645 2.067 50 0 KEAARO COc1ccccc1C(=O)N1CCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926342 554099111 /nfs/dbraw/zinc/09/91/11/554099111.db2.gz HMQJNHNXDFUGJK-UHFFFAOYSA-N 1 0 502.619 2.059 50 0 KEAARO COc1ccc(C(=O)N2CCCN(c3nc(CN4CC[NH+](Cc5ccccc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926349 554099227 /nfs/dbraw/zinc/09/92/27/554099227.db2.gz YBWRATOTLWIIMF-UHFFFAOYSA-N 1 0 516.646 2.449 50 0 KEAARO Cc1ccc(C[NH+]2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)c5ccc(F)cc5)CC4)n3)CC2)cc1 ZINC000035926561 554099881 /nfs/dbraw/zinc/09/98/81/554099881.db2.gz QAUPVXOTARXVAK-UHFFFAOYSA-N 1 0 504.610 2.498 50 0 KEAARO O=C(c1ccccc1)N1CCCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926590 554100014 /nfs/dbraw/zinc/10/00/14/554100014.db2.gz UKPCPXBWIWSAMP-UHFFFAOYSA-N 1 0 500.647 2.483 50 0 KEAARO O=C(COc1ccccc1)N1CCCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926601 554100022 /nfs/dbraw/zinc/10/00/22/554100022.db2.gz VYALIDKYEXPBLX-UHFFFAOYSA-N 1 0 530.673 2.248 50 0 KEAARO O=C(COc1ccccc1)N1CCCN(c2nc(CN3CC[NH+](C4CCCCC4)CC3)cc(=O)[nH]2)CC1 ZINC000035926703 554100371 /nfs/dbraw/zinc/10/03/71/554100371.db2.gz CSJYSJKRAZDEIU-UHFFFAOYSA-N 1 0 508.667 2.338 50 0 KEAARO O=C(NCc1ccccc1)N1CCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926768 554100435 /nfs/dbraw/zinc/10/04/35/554100435.db2.gz SLLYWANGTKNVQA-UHFFFAOYSA-N 1 0 515.662 2.162 50 0 KEAARO C[NH+](C)CCNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981912 554118068 /nfs/dbraw/zinc/11/80/68/554118068.db2.gz CIARUBRJDGPRDG-QFIPXVFZSA-N 1 0 500.546 2.116 50 0 KEAARO C[NH+](C)CCNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981913 554118112 /nfs/dbraw/zinc/11/81/12/554118112.db2.gz CIARUBRJDGPRDG-JOCHJYFZSA-N 1 0 500.546 2.116 50 0 KEAARO COc1ccc(C(=O)N2[C@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000035986514 554119270 /nfs/dbraw/zinc/11/92/70/554119270.db2.gz NFEWNLSRNBHRKK-QHCPKHFHSA-N 1 0 529.037 2.500 50 0 KEAARO COc1ccc(C(=O)N2[C@@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000035986515 554119313 /nfs/dbraw/zinc/11/93/13/554119313.db2.gz NFEWNLSRNBHRKK-HSZRJFAPSA-N 1 0 529.037 2.500 50 0 KEAARO COc1ccc(C(=O)N2[C@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000035986546 554119219 /nfs/dbraw/zinc/11/92/19/554119219.db2.gz MZSBEJDTXKYKJT-DEOSSOPVSA-N 1 0 508.619 2.155 50 0 KEAARO COc1ccc(C(=O)N2[C@@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000035986548 554119320 /nfs/dbraw/zinc/11/93/20/554119320.db2.gz MZSBEJDTXKYKJT-XMMPIXPASA-N 1 0 508.619 2.155 50 0 KEAARO COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCC[NH+](C)C)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986963 554120052 /nfs/dbraw/zinc/12/00/52/554120052.db2.gz UGIBUNVLIPBJDV-DEOSSOPVSA-N 1 0 508.619 2.155 50 0 KEAARO COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCC[NH+](C)C)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986964 554120056 /nfs/dbraw/zinc/12/00/56/554120056.db2.gz UGIBUNVLIPBJDV-XMMPIXPASA-N 1 0 508.619 2.155 50 0 KEAARO Cc1cccc(C(=O)N2[C@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000035987165 554120524 /nfs/dbraw/zinc/12/05/24/554120524.db2.gz QTQNMQJFCUXRHA-QHCPKHFHSA-N 1 0 514.573 2.425 50 0 KEAARO Cc1cccc(C(=O)N2[C@@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000035987166 554120571 /nfs/dbraw/zinc/12/05/71/554120571.db2.gz QTQNMQJFCUXRHA-HSZRJFAPSA-N 1 0 514.573 2.425 50 0 KEAARO COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987700 554121847 /nfs/dbraw/zinc/12/18/47/554121847.db2.gz JSFMUSBIQKFRQG-DEOSSOPVSA-N 1 0 508.619 2.155 50 0 KEAARO COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987701 554121813 /nfs/dbraw/zinc/12/18/13/554121813.db2.gz JSFMUSBIQKFRQG-XMMPIXPASA-N 1 0 508.619 2.155 50 0 KEAARO COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccccc2C)c1 ZINC000035987830 554122262 /nfs/dbraw/zinc/12/22/62/554122262.db2.gz HYXUNWPEAZHSMH-DEOSSOPVSA-N 1 0 508.619 2.155 50 0 KEAARO COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccccc2C)c1 ZINC000035987831 554122320 /nfs/dbraw/zinc/12/23/20/554122320.db2.gz HYXUNWPEAZHSMH-XMMPIXPASA-N 1 0 508.619 2.155 50 0 KEAARO COc1cccc(C(=O)N2[C@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000035990095 554123760 /nfs/dbraw/zinc/12/37/60/554123760.db2.gz IJAQLFWLNHPISY-QHCPKHFHSA-N 1 0 529.037 2.500 50 0 KEAARO COc1cccc(C(=O)N2[C@@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000035990096 554123739 /nfs/dbraw/zinc/12/37/39/554123739.db2.gz IJAQLFWLNHPISY-HSZRJFAPSA-N 1 0 529.037 2.500 50 0 KEAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)C1CC1 ZINC000036072871 554170630 /nfs/dbraw/zinc/17/06/30/554170630.db2.gz XADYTZUPKXZHFZ-UHFFFAOYSA-N 1 0 524.666 2.390 50 0 KEAARO CCC(=O)N(CC[NH+](CC)CC)CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1 ZINC000036083293 554175128 /nfs/dbraw/zinc/17/51/28/554175128.db2.gz OITYBDVWAJZSHO-UHFFFAOYSA-N 1 0 512.655 2.390 50 0 KEAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)C1CC1 ZINC000036083294 554175114 /nfs/dbraw/zinc/17/51/14/554175114.db2.gz PCOUOPGPDVRBTD-UHFFFAOYSA-N 1 0 524.666 2.390 50 0 KEAARO CCNC(=O)N(CC[NH+](CC)CC)CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1 ZINC000036083336 554175423 /nfs/dbraw/zinc/17/54/23/554175423.db2.gz FYHXRNDTGDKDAT-UHFFFAOYSA-N 1 0 527.670 2.183 50 0 KEAARO CC(C)COC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249778 554210103 /nfs/dbraw/zinc/21/01/03/554210103.db2.gz ICSLJLRMLHYFQN-XMMPIXPASA-N 1 0 502.656 2.346 50 0 KEAARO CC(C)COC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249779 554210118 /nfs/dbraw/zinc/21/01/18/554210118.db2.gz ICSLJLRMLHYFQN-DEOSSOPVSA-N 1 0 502.656 2.346 50 0 KEAARO O=C(NCCCN1CCOCC1)c1cnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000036314120 554219329 /nfs/dbraw/zinc/21/93/29/554219329.db2.gz SYSAERYPZAOQOW-UHFFFAOYSA-N 1 0 516.646 2.134 50 0 KEAARO CCN(CCC(=O)NCC[NH+](CC)CC)C(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000037575823 554251981 /nfs/dbraw/zinc/25/19/81/554251981.db2.gz CUNSJTRDFSQPJC-UHFFFAOYSA-N 1 0 500.619 2.379 50 0 KEAARO COc1ccc(CC(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)c4ccc(OC)c(OC)c4)CCO3)CC2)cc1 ZINC000037613902 554258415 /nfs/dbraw/zinc/25/84/15/554258415.db2.gz HNCZDLGWLCREDO-XMMPIXPASA-N 1 0 511.619 2.330 50 0 KEAARO COc1ccc(CC(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)c4ccc(OC)c(OC)c4)CCO3)CC2)cc1 ZINC000037613903 554258568 /nfs/dbraw/zinc/25/85/68/554258568.db2.gz HNCZDLGWLCREDO-DEOSSOPVSA-N 1 0 511.619 2.330 50 0 KEAARO COCC[NH+]1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)cc2)CC1 ZINC000043128366 554297505 /nfs/dbraw/zinc/29/75/05/554297505.db2.gz XLSYZSRXVVCHLS-UHFFFAOYSA-N 1 0 545.644 2.421 50 0 investigational KEAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(CCSc3nc4ccccc4[nH]3)c2c(=O)[nH]c1=O ZINC000053517371 554348752 /nfs/dbraw/zinc/34/87/52/554348752.db2.gz AJPGHZCUNUOXIE-UHFFFAOYSA-N 1 0 516.631 2.414 50 0 KEAARO CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N12 ZINC000056871297 554351048 /nfs/dbraw/zinc/35/10/48/554351048.db2.gz UJYGDMFEEDNVBF-OGGGUQDZSA-N 1 0 561.683 2.040 50 0 in-vitro KEAARO Cc1ccnc(SCCCn2c(N3CC[NH+](Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000056918669 554351389 /nfs/dbraw/zinc/35/13/89/554351389.db2.gz XVVGPFYZWPIVOB-UHFFFAOYSA-N 1 0 506.636 2.026 50 0 KEAARO Cn1cc(CC2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 ZINC000061992876 554506073 /nfs/dbraw/zinc/50/60/73/554506073.db2.gz IYOUFVAUJIPHDU-MOPGFXCFSA-N 1 0 501.587 2.039 50 0 biogenic KEAARO COc1ccc(-c2nc3sc(N(C)CC(=O)NCCN4CC[NH+](C)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064703600 554514076 /nfs/dbraw/zinc/51/40/76/554514076.db2.gz VQXADRGWDBSQIL-UHFFFAOYSA-N 1 0 514.700 2.477 50 0 KEAARO COc1ccc(-c2c(C(=O)NCC[NH+](C)C)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000065119068 554525229 /nfs/dbraw/zinc/52/52/29/554525229.db2.gz YJXFGNDPUUYPHG-UHFFFAOYSA-N 1 0 514.652 2.488 50 0 KEAARO CCn1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000067337493 554531271 /nfs/dbraw/zinc/53/12/71/554531271.db2.gz GUSDTVIJPJSDME-UHFFFAOYSA-N 1 0 516.712 2.445 50 0 KEAARO CCn1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337573 554531351 /nfs/dbraw/zinc/53/13/51/554531351.db2.gz XNADYLQTNICZCG-UHFFFAOYSA-N 1 0 523.103 2.481 50 0 KEAARO CCCn1cc(C(=O)N2CCC[N@H+](C)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337853 554531862 /nfs/dbraw/zinc/53/18/62/554531862.db2.gz LNYOULUJBVAHNZ-UHFFFAOYSA-N 1 0 509.076 2.235 50 0 KEAARO Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000067337964 554531875 /nfs/dbraw/zinc/53/18/75/554531875.db2.gz WBIHYBRJGIOHFL-UHFFFAOYSA-N 1 0 523.103 2.307 50 0 KEAARO CCn1cc(C(=O)N2CCC[N@H+](C)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000067338049 554531923 /nfs/dbraw/zinc/53/19/23/554531923.db2.gz OZINAVLCDFRRES-UHFFFAOYSA-N 1 0 509.076 2.153 50 0 KEAARO CCn1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338415 554532459 /nfs/dbraw/zinc/53/24/59/554532459.db2.gz UNDGGIQNGRCXRZ-UHFFFAOYSA-N 1 0 516.712 2.445 50 0 KEAARO CCn1cc(C(=O)NCCC[NH+](CC)CC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338605 554532720 /nfs/dbraw/zinc/53/27/20/554532720.db2.gz WCXLLOYIXRIYAM-UHFFFAOYSA-N 1 0 504.701 2.492 50 0 KEAARO CCn1cc(C(=O)NCC[NH+]2CCCCC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338613 554532717 /nfs/dbraw/zinc/53/27/17/554532717.db2.gz ZTJPLQWJHJQNTJ-UHFFFAOYSA-N 1 0 502.685 2.246 50 0 KEAARO C[C@H](O)C[NH+]1CCC(CN(CC(=O)NCc2ccc(F)cc2)CC(=O)NCc2ccc(F)cc2)CC1 ZINC000069878371 553593474 /nfs/dbraw/zinc/59/34/74/553593474.db2.gz ONRZVSBWPYSUGD-FQEVSTJZSA-N 1 0 502.606 2.292 50 0 KEAARO C[C@@H](O)C[NH+]1CCC(CN(CC(=O)NCc2ccc(F)cc2)CC(=O)NCc2ccc(F)cc2)CC1 ZINC000069878375 553593549 /nfs/dbraw/zinc/59/35/49/553593549.db2.gz ONRZVSBWPYSUGD-HXUWFJFHSA-N 1 0 502.606 2.292 50 0 KEAARO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665714 553596954 /nfs/dbraw/zinc/59/69/54/553596954.db2.gz CXQCZSXZJZQIFQ-QOZHGTPNSA-N 1 0 528.646 2.257 50 0 biogenic KEAARO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665715 553596941 /nfs/dbraw/zinc/59/69/41/553596941.db2.gz CXQCZSXZJZQIFQ-OXPWFEJJSA-N 1 0 528.646 2.257 50 0 biogenic KEAARO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665717 553596898 /nfs/dbraw/zinc/59/68/98/553596898.db2.gz CXQCZSXZJZQIFQ-SSYHAFFOSA-N 1 0 528.646 2.257 50 0 biogenic KEAARO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665719 553596889 /nfs/dbraw/zinc/59/68/89/553596889.db2.gz CXQCZSXZJZQIFQ-QVLVEBFSSA-N 1 0 528.646 2.257 50 0 biogenic KEAARO CN1C(=O)N(C)C(=O)C(Cc2ccc(Br)s2)(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000070670119 553600325 /nfs/dbraw/zinc/60/03/25/553600325.db2.gz SPXWYAWUBDUHAB-LSDHHAIUSA-N 1 0 533.448 2.371 50 0 biogenic KEAARO CN1C(=O)N(C)C(=O)C(Cc2ccc(Br)cc2)(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000070670123 553600273 /nfs/dbraw/zinc/60/02/73/553600273.db2.gz SUEFJQGAYAGVTN-ZWKOTPCHSA-N 1 0 527.419 2.309 50 0 biogenic KEAARO COc1ccc(Br)cc1CC1(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=O)N(C)C1=O ZINC000070670210 553600939 /nfs/dbraw/zinc/60/09/39/553600939.db2.gz KNQBJTVAWXBVRC-AEFFLSMTSA-N 1 0 557.445 2.318 50 0 KEAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3ccc(O)cc3)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070672236 553601836 /nfs/dbraw/zinc/60/18/36/553601836.db2.gz JPFCFKZUOCRZKN-HFZPWKHCSA-N 1 0 526.593 2.481 50 0 biogenic KEAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3ccc(O)cc3)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070672240 553601795 /nfs/dbraw/zinc/60/17/95/553601795.db2.gz JPFCFKZUOCRZKN-DUELTEGESA-N 1 0 526.593 2.481 50 0 biogenic KEAARO COc1cc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1O ZINC000070672264 553601847 /nfs/dbraw/zinc/60/18/47/553601847.db2.gz NQSKLHRUOSBVGR-DLBZAZTESA-N 1 0 573.444 2.024 50 0 biogenic KEAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O ZINC000070712344 553633991 /nfs/dbraw/zinc/63/39/91/553633991.db2.gz AOTYYZLJECCICM-QOZHGTPNSA-N 1 0 528.646 2.257 50 0 biogenic KEAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O ZINC000070712345 553634008 /nfs/dbraw/zinc/63/40/08/553634008.db2.gz AOTYYZLJECCICM-OXPWFEJJSA-N 1 0 528.646 2.257 50 0 biogenic KEAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O ZINC000070712347 553634087 /nfs/dbraw/zinc/63/40/87/553634087.db2.gz AOTYYZLJECCICM-SSYHAFFOSA-N 1 0 528.646 2.257 50 0 biogenic KEAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H]1[C@@H]2OC(C)=O ZINC000070712349 553634030 /nfs/dbraw/zinc/63/40/30/553634030.db2.gz AOTYYZLJECCICM-QVLVEBFSSA-N 1 0 528.646 2.257 50 0 biogenic KEAARO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 ZINC000071788387 553638548 /nfs/dbraw/zinc/63/85/48/553638548.db2.gz DFOSAUPKTFJBLO-HWBMXIPRSA-N 1 0 627.743 2.328 50 0 KEAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C[C@H](NC(C)=O)c2ccccc2)CC1 ZINC000072136964 553644373 /nfs/dbraw/zinc/64/43/73/553644373.db2.gz VZQYFWLCCHMGJH-DEOSSOPVSA-N 1 0 543.690 2.055 50 0 KEAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C[C@@H](NC(C)=O)c2ccccc2)CC1 ZINC000072136965 553644406 /nfs/dbraw/zinc/64/44/06/553644406.db2.gz VZQYFWLCCHMGJH-XMMPIXPASA-N 1 0 543.690 2.055 50 0 KEAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(c2ccc(F)cc2)CC1 ZINC000079188371 553666752 /nfs/dbraw/zinc/66/67/52/553666752.db2.gz WCTVGFCNAISTOI-RTWAWAEBSA-N 1 0 519.621 2.333 50 0 biogenic KEAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000079189630 553667365 /nfs/dbraw/zinc/66/73/65/553667365.db2.gz YDASJPGPQGHZEP-RPWUZVMVSA-N 1 0 515.658 2.190 50 0 biogenic KEAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cc3ccccc3oc2=O)CC1)c1cc2ccccc2oc1=O ZINC000084724451 553677938 /nfs/dbraw/zinc/67/79/38/553677938.db2.gz SOMLGSVIPDNBKQ-UHFFFAOYSA-N 1 0 544.608 2.457 50 0 KEAARO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)ccc12 ZINC000085544680 553683421 /nfs/dbraw/zinc/68/34/21/553683421.db2.gz SHUBDYUHYODGSC-UIOOFZCWSA-N 1 0 707.785 2.321 50 0 KEAARO COc1ccc(CN2CCN(Cc3c(O)c(=O)cc(C[N@@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)n3C)CC2)c(OC)c1OC ZINC000085875116 553688468 /nfs/dbraw/zinc/68/84/68/553688468.db2.gz ZYBARTVCXKZHFE-VWNXMTODSA-N 1 0 605.736 2.216 50 0 biogenic KEAARO COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n1C)CC2 ZINC000085875143 553688367 /nfs/dbraw/zinc/68/83/67/553688367.db2.gz GSECXWOXZZUHSB-KNQAVFIVSA-N 1 0 532.641 2.447 50 0 biogenic KEAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(c2ccccc2)CC1 ZINC000085875250 553688443 /nfs/dbraw/zinc/68/84/43/553688443.db2.gz IGBIQAIZMGCIFK-YADHBBJMSA-N 1 0 501.631 2.194 50 0 biogenic KEAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCO[C@H](c2ccccc2)C1 ZINC000085876705 553688856 /nfs/dbraw/zinc/68/88/56/553688856.db2.gz LSWNFDFVEDZTIH-YRTUYQHASA-N 1 0 502.615 2.445 50 0 biogenic KEAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000085876712 553688960 /nfs/dbraw/zinc/68/89/60/553688960.db2.gz LSWNFDFVEDZTIH-SBQVMTCPSA-N 1 0 502.615 2.445 50 0 biogenic KEAARO COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n2C)CC1 ZINC000085876817 553688821 /nfs/dbraw/zinc/68/88/21/553688821.db2.gz BUPPOPPRPDCLIK-YADHBBJMSA-N 1 0 531.657 2.203 50 0 biogenic KEAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1 ZINC000085877933 553689264 /nfs/dbraw/zinc/68/92/64/553689264.db2.gz UUHCCWBRDQMOPB-RPWUZVMVSA-N 1 0 545.684 2.069 50 0 biogenic KEAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(CCOc2ccc(F)cc2)CC1 ZINC000085879680 553689968 /nfs/dbraw/zinc/68/99/68/553689968.db2.gz PMRVMNPDOIPRHP-PKTZIBPZSA-N 1 0 563.674 2.208 50 0 biogenic KEAARO CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000095557720 553704351 /nfs/dbraw/zinc/70/43/51/553704351.db2.gz MTLMDZJUGDUTCP-PTGPVQHPSA-N 1 0 540.669 2.247 50 0 in-vitro KEAARO C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095610653 553705521 /nfs/dbraw/zinc/70/55/21/553705521.db2.gz JFMKMZZAVDKJAH-HUJSHWAMSA-N 1 0 770.891 2.397 50 0 KEAARO C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095610655 553705614 /nfs/dbraw/zinc/70/56/14/553705614.db2.gz JFMKMZZAVDKJAH-ZWTCKWFUSA-N 1 0 770.891 2.397 50 0 KEAARO CSCC[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC[NH3+])C(N)=O ZINC000095753370 553713218 /nfs/dbraw/zinc/71/32/18/553713218.db2.gz HQKPTSSZOJLFBZ-LJADHVKFSA-N 1 0 766.022 2.158 50 0 in-vitro KEAARO COc1cccc(C(=O)N2[C@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000096210230 553729164 /nfs/dbraw/zinc/72/91/64/553729164.db2.gz IOYDPALPGWRXGC-DEOSSOPVSA-N 1 0 508.619 2.155 50 0 KEAARO COc1cccc(C(=O)N2[C@@H](C(=O)NCC[NH+](C)C)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000096210231 553729180 /nfs/dbraw/zinc/72/91/80/553729180.db2.gz IOYDPALPGWRXGC-XMMPIXPASA-N 1 0 508.619 2.155 50 0 KEAARO C[C@H](O)C[NH+]1CCC(CN(CC(=O)NCc2ccccc2F)CC(=O)NCc2ccccc2F)CC1 ZINC000096422179 553754161 /nfs/dbraw/zinc/75/41/61/553754161.db2.gz DKGSOPVLDNOOMM-FQEVSTJZSA-N 1 0 502.606 2.292 50 0 KEAARO C[C@@H](O)C[NH+]1CCC(CN(CC(=O)NCc2ccccc2F)CC(=O)NCc2ccccc2F)CC1 ZINC000096422180 553754570 /nfs/dbraw/zinc/75/45/70/553754570.db2.gz DKGSOPVLDNOOMM-HXUWFJFHSA-N 1 0 502.606 2.292 50 0 KEAARO Cc1ccc(C[NH+]2CCN(CCNC(=O)C(=O)Nc3ccc(I)cc3)CC2)cc1 ZINC000096562449 553755524 /nfs/dbraw/zinc/75/55/24/553755524.db2.gz DPHGPJQXVWRNDE-UHFFFAOYSA-N 1 0 506.388 2.472 50 0 KEAARO O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCN1CC[NH+](CCCN2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)CC1 ZINC000097951101 553807044 /nfs/dbraw/zinc/80/70/44/553807044.db2.gz QJTUCZXIWMBYSY-ZDNVTZCJSA-N 1 0 537.488 2.420 50 0 KEAARO COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccc(C)cc2)cc1OC ZINC000098014905 554093851 /nfs/dbraw/zinc/09/38/51/554093851.db2.gz TXVXDUAPZILIEY-QHCPKHFHSA-N 1 0 538.645 2.164 50 0 KEAARO COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccc(C)cc2)cc1OC ZINC000098014906 554093842 /nfs/dbraw/zinc/09/38/42/554093842.db2.gz TXVXDUAPZILIEY-HSZRJFAPSA-N 1 0 538.645 2.164 50 0 KEAARO COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccccc2C)cc1OC ZINC000098014917 554093819 /nfs/dbraw/zinc/09/38/19/554093819.db2.gz SYWCMUSEBVKBHE-QHCPKHFHSA-N 1 0 538.645 2.164 50 0 KEAARO COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCC[NH+](C)C)N3C(=O)c2ccccc2C)cc1OC ZINC000098014918 554093876 /nfs/dbraw/zinc/09/38/76/554093876.db2.gz SYWCMUSEBVKBHE-HSZRJFAPSA-N 1 0 538.645 2.164 50 0 KEAARO COc1ccc(NC(=O)Cn2c3cc(=O)n(N4CCN(C)CC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c(OC)c1 ZINC000100432352 554392433 /nfs/dbraw/zinc/39/24/33/554392433.db2.gz WJHAJTPBFMGVEK-UHFFFAOYSA-N 1 0 589.678 2.411 50 0 KEAARO O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCN1CC[NH+](CCCN2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)CC1 ZINC000100700199 554451313 /nfs/dbraw/zinc/45/13/13/554451313.db2.gz QJTUCZXIWMBYSY-CZYKHXBRSA-N 1 0 537.488 2.420 50 0 KEAARO CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(N3CCN(C)CC3)cc(C)[nH+]2)CC1 ZINC000100957087 554540167 /nfs/dbraw/zinc/54/01/67/554540167.db2.gz IPDJJFGDYLXFRF-UHFFFAOYSA-N 1 0 539.500 2.209 50 0 KEAARO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000101091475 554582905 /nfs/dbraw/zinc/58/29/05/554582905.db2.gz CDWHTEMYCKNZLL-DVNZQXEZSA-N 1 0 526.387 2.297 50 0 KEAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCC[N@H+](C)CCc3ccccn3)c3ccccc3c2=O)cc1Cl ZINC000101188840 554670064 /nfs/dbraw/zinc/67/00/64/554670064.db2.gz NWSDKDAWADWQEX-UHFFFAOYSA-N 1 0 549.031 2.463 50 0 KEAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000101208821 554678085 /nfs/dbraw/zinc/67/80/85/554678085.db2.gz TUOBWMJUQHOAQS-KBBGZRRDSA-N 1 0 549.716 2.171 50 0 biogenic KEAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000101208824 554678050 /nfs/dbraw/zinc/67/80/50/554678050.db2.gz TUOBWMJUQHOAQS-YQXAMQIPSA-N 1 0 549.716 2.171 50 0 biogenic KEAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254224 554694680 /nfs/dbraw/zinc/69/46/80/554694680.db2.gz QAUPKFUPKHEVIJ-DEOSSOPVSA-N 1 0 553.685 2.450 50 0 KEAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCN3CC[NH+](C)CC3)C2=S)cc1 ZINC000101254228 554694649 /nfs/dbraw/zinc/69/46/49/554694649.db2.gz QAUPKFUPKHEVIJ-XMMPIXPASA-N 1 0 553.685 2.450 50 0 KEAARO O=C(CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101304882 554714888 /nfs/dbraw/zinc/71/48/88/554714888.db2.gz JMFSSFUNZNFVKQ-UHFFFAOYSA-N 1 0 543.624 2.244 50 0 KEAARO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000101386850 554752761 /nfs/dbraw/zinc/75/27/61/554752761.db2.gz CDWHTEMYCKNZLL-BYPPRKSQSA-N 1 0 526.387 2.297 50 0 KEAARO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000101386854 554752734 /nfs/dbraw/zinc/75/27/34/554752734.db2.gz CDWHTEMYCKNZLL-IJEZHKBASA-N 1 0 526.387 2.297 50 0 KEAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000101403155 554760605 /nfs/dbraw/zinc/76/06/05/554760605.db2.gz PQAULDHWAQHWTK-UHFFFAOYSA-N 1 0 542.731 2.416 50 0 KEAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000101513144 554793074 /nfs/dbraw/zinc/79/30/74/554793074.db2.gz QVDYEPQEKOKNOA-AREMUKBSSA-N 1 0 548.750 2.243 50 0 KEAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000101513146 554793439 /nfs/dbraw/zinc/79/34/39/554793439.db2.gz QVDYEPQEKOKNOA-SANMLTNESA-N 1 0 548.750 2.243 50 0 KEAARO COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC[NH+](C)C)C(=O)Cc4ccccc4)CC3)nn2)c(OC)c1 ZINC000101643812 554814808 /nfs/dbraw/zinc/81/48/08/554814808.db2.gz DLOSUVQSODYVHC-UHFFFAOYSA-N 1 0 546.672 2.442 50 0 KEAARO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@@H]3CCC(=O)N3)c2)CC1 ZINC000101692251 554830727 /nfs/dbraw/zinc/83/07/27/554830727.db2.gz XZDNXLKSBDZDEP-QFIPXVFZSA-N 1 0 551.109 2.444 50 0 KEAARO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CCOc2cccc(C[N@H+](C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000101692258 554830831 /nfs/dbraw/zinc/83/08/31/554830831.db2.gz XZDNXLKSBDZDEP-JOCHJYFZSA-N 1 0 551.109 2.444 50 0 KEAARO COc1ccc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)c(OC)c1OC ZINC000102599435 554977507 /nfs/dbraw/zinc/97/75/07/554977507.db2.gz ARAJFQPHPAOHIP-QFIPXVFZSA-N 1 0 540.661 2.260 50 0 KEAARO COc1ccc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)c(OC)c1OC ZINC000102599440 554977477 /nfs/dbraw/zinc/97/74/77/554977477.db2.gz ARAJFQPHPAOHIP-JOCHJYFZSA-N 1 0 540.661 2.260 50 0 KEAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCN3CCNC3=O)C2)cc1OC ZINC000102600735 554977613 /nfs/dbraw/zinc/97/76/13/554977613.db2.gz BVAZABXRJMTFEC-BJKOFHAPSA-N 1 0 549.672 2.411 50 0 KEAARO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccc4ccccc4n3)[N@@H+](C3Cc4ccccc4C3)C2)c1C(=O)OC ZINC000102690715 1066207672 /nfs/dbraw/zinc/20/76/72/1066207672.db2.gz FEKBXKHHJLFPSH-ZCYQVOJMSA-N 1 0 554.607 2.499 50 0 KEAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000102783789 555066875 /nfs/dbraw/zinc/06/68/75/555066875.db2.gz URLPISPMOPFOOR-UHFFFAOYSA-N 1 0 537.686 2.250 50 0 KEAARO O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000102786226 555067807 /nfs/dbraw/zinc/06/78/07/555067807.db2.gz GFTAOLOBXHRQQL-UHFFFAOYSA-N 1 0 572.753 2.217 50 0 KEAARO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)cc21 ZINC000102792918 555069937 /nfs/dbraw/zinc/06/99/37/555069937.db2.gz XHWWYBALYZQVLK-UHFFFAOYSA-N 1 0 541.512 2.361 50 0 KEAARO CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000102920240 555145254 /nfs/dbraw/zinc/14/52/54/555145254.db2.gz HPFXCBCNDSXXEM-UHFFFAOYSA-N 1 0 544.722 2.420 50 0 KEAARO CCCn1cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000102920673 555145841 /nfs/dbraw/zinc/14/58/41/555145841.db2.gz ZAVSMKKQSWKVGU-UHFFFAOYSA-N 1 0 606.193 2.403 50 0 KEAARO C[NH+]1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n(Cc3ccc(F)cc3)c2=S)CC1 ZINC000102992204 555192970 /nfs/dbraw/zinc/19/29/70/555192970.db2.gz WMLBNZJNMZZHER-UHFFFAOYSA-N 1 0 546.694 2.494 50 0 KEAARO Cc1ccc(S(=O)(=O)N2CCCN(c3nc(CN4CC[NH+](CCc5ccccc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000103139043 555308873 /nfs/dbraw/zinc/30/88/73/555308873.db2.gz MCABFJSEZQVNJS-UHFFFAOYSA-N 1 0 550.729 2.340 50 0 KEAARO COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000103142933 555311734 /nfs/dbraw/zinc/31/17/34/555311734.db2.gz DJLZKBKOZCZLOW-UHFFFAOYSA-N 1 0 580.773 2.330 50 0 KEAARO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000103147395 555314238 /nfs/dbraw/zinc/31/42/38/555314238.db2.gz VZNYFLVWENDKRM-UHFFFAOYSA-N 1 0 543.093 2.252 50 0 KEAARO COc1cccc(OC)c1C(=O)N1CCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000103208395 555339498 /nfs/dbraw/zinc/33/94/98/555339498.db2.gz XWKVWTVIWNSDTB-UHFFFAOYSA-N 1 0 546.672 2.110 50 0 KEAARO COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC[NH+](C)C)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)c(OC)c1 ZINC000103334405 555360596 /nfs/dbraw/zinc/36/05/96/555360596.db2.gz OMUCFDMTBXVHHI-UHFFFAOYSA-N 1 0 576.654 2.242 50 0 KEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000103636249 555460133 /nfs/dbraw/zinc/46/01/33/555460133.db2.gz TZZVQRFKESSWCO-KNQAVFIVSA-N 1 0 514.648 2.259 50 0 KEAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000103636254 555460087 /nfs/dbraw/zinc/46/00/87/555460087.db2.gz TZZVQRFKESSWCO-UGKGYDQZSA-N 1 0 514.648 2.259 50 0 KEAARO CC[C@]12C=CC[N@@H+]3CC[C@]4(c5cc(Br)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000103974182 562825068 /nfs/dbraw/zinc/82/50/68/562825068.db2.gz OTYOQSWRKXGMLS-UVMTUAEXSA-N 1 0 535.435 2.404 50 0 biogenic KEAARO CC[C@]12C=CC[N@@H+]3CC[C@]4(c5cc(Br)c(OC)cc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000103974187 562825049 /nfs/dbraw/zinc/82/50/49/562825049.db2.gz OTYOQSWRKXGMLS-REYCXTQBSA-N 1 0 535.435 2.404 50 0 biogenic KEAARO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000105038242 571390087 /nfs/dbraw/zinc/39/00/87/571390087.db2.gz QQQPRALHFIAQOB-VPUSJEBWSA-N 1 0 515.626 2.049 50 0 KEAARO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C[C@@H](O)COCc3ccccc3)CCO2)cc1 ZINC000105038542 571390003 /nfs/dbraw/zinc/39/00/03/571390003.db2.gz MPFFYFPJMOEVQO-IZLXSDGUSA-N 1 0 511.663 2.048 50 0 KEAARO CCOC(=O)N1CCN(C(=O)CSc2nn3c(nc4c(c3=O)C[N@H+](CCc3ccccc3)CC4)s2)CC1 ZINC000113665864 571442264 /nfs/dbraw/zinc/44/22/64/571442264.db2.gz PKYIYYHPJGQKRE-UHFFFAOYSA-N 1 0 542.687 2.145 50 0 KEAARO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000150345583 571459926 /nfs/dbraw/zinc/45/99/26/571459926.db2.gz YNFWCRXESGJYDC-GOTSBHOMSA-N 1 0 673.649 2.416 50 0 KEAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)cc1 ZINC000150388448 571471005 /nfs/dbraw/zinc/47/10/05/571471005.db2.gz DLCYTHUXJWRPMH-UHFFFAOYSA-N 1 0 668.802 2.205 50 0 KEAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000225424204 571790444 /nfs/dbraw/zinc/79/04/44/571790444.db2.gz TUOBWMJUQHOAQS-YTXSASNOSA-N 1 0 549.716 2.171 50 0 KEAARO CC[NH+]1CCN(CCN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000225424237 571790570 /nfs/dbraw/zinc/79/05/70/571790570.db2.gz TUOBWMJUQHOAQS-UHASXDTDSA-N 1 0 549.716 2.171 50 0 KEAARO COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4c(Cl)cccc4N4CC[N@H+](C)C[C@H]43)C2=O)cc1OC ZINC000229898168 572166759 /nfs/dbraw/zinc/16/67/59/572166759.db2.gz YRNHSAFVHYORFA-NVQXNPDNSA-N 1 0 512.994 2.341 50 0 KEAARO CC[C@]12C=CC[N@@H+]3CC[C@]4(c5cc(Br)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000230045794 562881070 /nfs/dbraw/zinc/88/10/70/562881070.db2.gz OTYOQSWRKXGMLS-XUNDTRFRSA-N 1 0 535.435 2.404 50 0 KEAARO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000230058081 572181794 /nfs/dbraw/zinc/18/17/94/572181794.db2.gz CDWHTEMYCKNZLL-JFPHOSBPSA-N 1 0 526.387 2.297 50 0 KEAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245257254 572222629 /nfs/dbraw/zinc/22/26/29/572222629.db2.gz XWLRTNZHBAPKED-JYYLQKJRSA-N 1 0 507.612 2.318 50 0 KEAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000245257255 572222593 /nfs/dbraw/zinc/22/25/93/572222593.db2.gz XWLRTNZHBAPKED-POOOFZJFSA-N 1 0 507.612 2.318 50 0 KEAARO COCCC[N@H+](CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000247889977 572248574 /nfs/dbraw/zinc/24/85/74/572248574.db2.gz SWMLVEKARQSGNY-LEWJYISDSA-N 1 0 506.650 2.228 50 0 KEAARO COCCC[N@H+](CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000247889983 572248754 /nfs/dbraw/zinc/24/87/54/572248754.db2.gz SWMLVEKARQSGNY-NHCUHLMSSA-N 1 0 506.650 2.228 50 0 KEAARO CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)c2C(N)=O)C1 ZINC000248125868 562881640 /nfs/dbraw/zinc/88/16/40/562881640.db2.gz ORWQPEFVRZKMMN-MRXNPFEDSA-N 1 0 506.650 2.277 50 0 KEAARO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12 ZINC000253486997 572290113 /nfs/dbraw/zinc/29/01/13/572290113.db2.gz CDWHTEMYCKNZLL-OEDYICQPSA-N 1 0 526.387 2.297 50 0 KEAARO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000253486998 572290088 /nfs/dbraw/zinc/29/00/88/572290088.db2.gz CDWHTEMYCKNZLL-WEAVEQPUSA-N 1 0 526.387 2.297 50 0 KEAARO COc1ccc(OC)c(S(=O)(=O)N2CC[C@H]3C(=O)NCCCCC[N@@H+](Cc4cccnc4)[C@@H]3C2)c1 ZINC000257176887 1066215796 /nfs/dbraw/zinc/21/57/96/1066215796.db2.gz AUIKWPVPMBDBFA-FGZHOGPDSA-N 1 0 502.637 2.280 50 0 KEAARO O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000257178685 1066216814 /nfs/dbraw/zinc/21/68/14/1066216814.db2.gz GYAIMQBQBOYSDE-JOCHJYFZSA-N 1 0 504.697 2.461 50 0 KEAARO O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000257178686 1066356228 /nfs/dbraw/zinc/35/62/28/1066356228.db2.gz GYAIMQBQBOYSDE-QFIPXVFZSA-N 1 0 504.697 2.461 50 0 KEAARO COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[N@@H+]2C2CCN(C(=O)CCc3nc(-c4ccccc4OC)no3)CC2)c1 ZINC000257181253 1066216745 /nfs/dbraw/zinc/21/67/45/1066216745.db2.gz FJIXTZBIZHLWAP-RDGATRHJSA-N 1 0 563.655 2.429 50 0 KEAARO COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CC[NH+](C(C)C)CC2)OCO4)cc(OC)c1OC ZINC000257181516 1066216538 /nfs/dbraw/zinc/21/65/38/1066216538.db2.gz FRCRVVNYYIQSDM-JYIOINSGSA-N 1 0 542.629 2.397 50 0 KEAARO COc1ccc(C2(C(=O)N3CCC([N@@H+]4C[C@H](O)C[C@H]4C(=O)NCc4cccc(OC)c4)CC3)CC2)cc1 ZINC000257181666 1066216670 /nfs/dbraw/zinc/21/66/70/1066216670.db2.gz FVEDUAABBDVBKW-BVAGGSTKSA-N 1 0 507.631 2.478 50 0 KEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257185464 1066217192 /nfs/dbraw/zinc/21/71/92/1066217192.db2.gz WYAAZHYFEWOGFL-HSZRJFAPSA-N 1 0 512.676 2.158 50 0 KEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257185465 1066217370 /nfs/dbraw/zinc/21/73/70/1066217370.db2.gz WYAAZHYFEWOGFL-QHCPKHFHSA-N 1 0 512.676 2.158 50 0 KEAARO COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[N@@H+]2C2CCN(C(=O)c3n[nH]c4c3CCCCCC4)CC2)c1 ZINC000257187498 1066218026 /nfs/dbraw/zinc/21/80/26/1066218026.db2.gz LTJYFJRSNBXKIL-BWKNWUBXSA-N 1 0 509.651 2.434 50 0 KEAARO COc1cccc(C(=O)N2CCC([N@@H+]3C[C@H](O)C[C@H]3C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1 ZINC000257187917 1066217486 /nfs/dbraw/zinc/21/74/86/1066217486.db2.gz MFEJTNUKQQSYDM-GJZUVCINSA-N 1 0 510.610 2.223 50 0 KEAARO COc1cccc(C(=O)N2CCC([N@@H+]3C[C@H](O)C[C@H]3C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000257188569 1066357057 /nfs/dbraw/zinc/35/70/57/1066357057.db2.gz MWQUFRYLYOIDDJ-RSXGOPAZSA-N 1 0 508.619 2.210 50 0 KEAARO O=C(NCCN1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257190341 1066357163 /nfs/dbraw/zinc/35/71/63/1066357163.db2.gz OOSCYQSOCOGRLG-DEOSSOPVSA-N 1 0 547.766 2.050 50 0 KEAARO O=C(NCCN1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257190342 1066218119 /nfs/dbraw/zinc/21/81/19/1066218119.db2.gz OOSCYQSOCOGRLG-XMMPIXPASA-N 1 0 547.766 2.050 50 0 KEAARO COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCC[N@H+](C)CC2)OCO4)cc(OC)c1OC ZINC000257191121 1066218208 /nfs/dbraw/zinc/21/82/08/1066218208.db2.gz PJHZVLLXRQSXTF-JYVYKJRCSA-N 1 0 528.602 2.009 50 0 KEAARO O=C1NCCCCCC[N@H+](Cc2ccncc2)[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC[C@@H]12 ZINC000257193682 1066217991 /nfs/dbraw/zinc/21/79/91/1066217991.db2.gz RXWWMAAUHHWKCY-DHIUTWEWSA-N 1 0 514.648 2.424 50 0 KEAARO O=C1NCCCCCC[N@H+](Cc2ccncc2)[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC[C@H]12 ZINC000257193684 1066217824 /nfs/dbraw/zinc/21/78/24/1066217824.db2.gz RXWWMAAUHHWKCY-XZOQPEGZSA-N 1 0 514.648 2.424 50 0 KEAARO Cn1c2ccc(S(=O)(=O)N3C[C@@H]4CCC[N@@H+]5CCC[C@H]([C@H]3CCCC(=O)N3CCOCC3)[C@H]45)cc2oc1=O ZINC000257195302 1066217895 /nfs/dbraw/zinc/21/78/95/1066217895.db2.gz VUISBAGQXZEQKL-XSWHYFMGSA-N 1 0 546.690 2.024 50 0 KEAARO COc1cccc(C(=O)N2CCC([N@@H+]3C[C@H](O)C[C@H]3C(=O)N3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000257195568 1066218176 /nfs/dbraw/zinc/21/81/76/1066218176.db2.gz WIYRYGPPKJRYRZ-BVAGGSTKSA-N 1 0 522.646 2.092 50 0 KEAARO O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1S(=O)(=O)c1ccc4c(c1)OCCO4)[C@@H]23)N1CCOCC1 ZINC000257196163 1066218672 /nfs/dbraw/zinc/21/86/72/1066218672.db2.gz XSBATKQGSDRRNO-WAHZDWKKSA-N 1 0 533.691 2.350 50 0 KEAARO COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)NCC[NH+]2CCCCC2)OCO4)cc(OC)c1OC ZINC000257197227 1066218750 /nfs/dbraw/zinc/21/87/50/1066218750.db2.gz ZRNVWDYTNUXOSY-JYIOINSGSA-N 1 0 542.629 2.447 50 0 KEAARO C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000257355018 572321847 /nfs/dbraw/zinc/32/18/47/572321847.db2.gz JFMKMZZAVDKJAH-CIUYEGCZSA-N 1 0 770.891 2.397 50 0 KEAARO C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000257355019 572321845 /nfs/dbraw/zinc/32/18/45/572321845.db2.gz JFMKMZZAVDKJAH-HXBDVKLNSA-N 1 0 770.891 2.397 50 0 KEAARO CC[N@@H+]1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)c7ccccc7)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14 ZINC000261492817 572110855 /nfs/dbraw/zinc/11/08/55/572110855.db2.gz GDNPLILPTBDDEP-GBLCJVDDSA-N 1 0 541.685 2.367 50 0 KEAARO CCOc1ccccc1CC1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)N(C)C(=S)N(C)C1=O ZINC000263585042 572116382 /nfs/dbraw/zinc/11/63/82/572116382.db2.gz DKNNYRRNKCQRQK-AZUAARDMSA-N 1 0 508.644 2.111 50 0 KEAARO COc1ccc(Br)cc1CC1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)N(C)C(=O)N(C)C1=O ZINC000263585603 572119282 /nfs/dbraw/zinc/11/92/82/572119282.db2.gz KNQBJTVAWXBVRC-FUHWJXTLSA-N 1 0 557.445 2.318 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000409413075 1066214480 /nfs/dbraw/zinc/21/44/80/1066214480.db2.gz BKSRMBXTGCHRPD-CEWLAPEOSA-N 1 0 532.638 2.267 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000409413076 1066205369 /nfs/dbraw/zinc/20/53/69/1066205369.db2.gz BKSRMBXTGCHRPD-JBACZVJFSA-N 1 0 532.638 2.267 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000409413077 1066205450 /nfs/dbraw/zinc/20/54/50/1066205450.db2.gz BKSRMBXTGCHRPD-SESVDKBCSA-N 1 0 532.638 2.267 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000409413078 1066205175 /nfs/dbraw/zinc/20/51/75/1066205175.db2.gz BKSRMBXTGCHRPD-TYPHKJRUSA-N 1 0 532.638 2.267 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000409413422 1066214546 /nfs/dbraw/zinc/21/45/46/1066214546.db2.gz ICIVHYQIXONROD-RJGXRXQPSA-N 1 0 530.666 2.296 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000409413428 1066205326 /nfs/dbraw/zinc/20/53/26/1066205326.db2.gz ICIVHYQIXONROD-VABKMULXSA-N 1 0 530.666 2.296 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000409413430 1066205472 /nfs/dbraw/zinc/20/54/72/1066205472.db2.gz ICIVHYQIXONROD-YTFSRNRJSA-N 1 0 530.666 2.296 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000409413431 1066214525 /nfs/dbraw/zinc/21/45/25/1066214525.db2.gz ICIVHYQIXONROD-ZRBLBEILSA-N 1 0 530.666 2.296 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000409413583 1066205267 /nfs/dbraw/zinc/20/52/67/1066205267.db2.gz IYVLJJZHVQHADD-OEMFJLHTSA-N 1 0 500.640 2.288 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000409413584 1066205304 /nfs/dbraw/zinc/20/53/04/1066205304.db2.gz IYVLJJZHVQHADD-QPTUXGOLSA-N 1 0 500.640 2.288 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000409413585 1066205506 /nfs/dbraw/zinc/20/55/06/1066205506.db2.gz IYVLJJZHVQHADD-QTJGBDASSA-N 1 0 500.640 2.288 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000409413586 1066205430 /nfs/dbraw/zinc/20/54/30/1066205430.db2.gz IYVLJJZHVQHADD-XWGVYQGASA-N 1 0 500.640 2.288 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000409414375 1066214500 /nfs/dbraw/zinc/21/45/00/1066214500.db2.gz PTSXPYKZZPSHDO-BDTNDASRSA-N 1 0 514.623 2.355 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000409414379 1066214377 /nfs/dbraw/zinc/21/43/77/1066214377.db2.gz PTSXPYKZZPSHDO-BHDDXSALSA-N 1 0 514.623 2.355 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000409414380 1066205900 /nfs/dbraw/zinc/20/59/00/1066205900.db2.gz PTSXPYKZZPSHDO-FDFHNCONSA-N 1 0 514.623 2.355 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000409414383 1066214419 /nfs/dbraw/zinc/21/44/19/1066214419.db2.gz PTSXPYKZZPSHDO-FKBYEOEOSA-N 1 0 514.623 2.355 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000524729909 1066206322 /nfs/dbraw/zinc/20/63/22/1066206322.db2.gz NXBMAORGXLXYDN-FDFHNCONSA-N 1 0 516.639 2.254 50 0 KEAARO CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[N@@H+]1C1CCN(C(=O)CCc2ccnc(N3CCOCC3)c2)CC1 ZINC000575550986 1066362399 /nfs/dbraw/zinc/36/23/99/1066362399.db2.gz BJXCFZSMSXFDLH-UIOOFZCWSA-N 1 0 521.662 2.110 50 0 KEAARO CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)NC(=O)C[NH3+] ZINC000575628215 1066354892 /nfs/dbraw/zinc/35/48/92/1066354892.db2.gz DHCACWGWAAFOJT-UHFFFAOYSA-N 1 0 562.701 2.045 50 0 KEAARO O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000604403852 1066361103 /nfs/dbraw/zinc/36/11/03/1066361103.db2.gz AMTBCXRWKHZOPD-HNPLUWAHSA-N 1 0 523.593 2.199 50 0 KEAARO O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000604403853 1066360842 /nfs/dbraw/zinc/36/08/42/1066360842.db2.gz AMTBCXRWKHZOPD-NKQBKRSGSA-N 1 0 523.593 2.199 50 0 KEAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@@H]21 ZINC000604404569 1066360894 /nfs/dbraw/zinc/36/08/94/1066360894.db2.gz DQXCURBKBYZFFU-QMQXECRNSA-N 1 0 583.645 2.216 50 0 KEAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@H]21 ZINC000604404573 1066360696 /nfs/dbraw/zinc/36/06/96/1066360696.db2.gz DQXCURBKBYZFFU-WMUWJOOSSA-N 1 0 583.645 2.216 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000888090258 1066230385 /nfs/dbraw/zinc/23/03/85/1066230385.db2.gz NXBMAORGXLXYDN-BDTNDASRSA-N 1 0 516.639 2.254 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000888090259 1066230204 /nfs/dbraw/zinc/23/02/04/1066230204.db2.gz NXBMAORGXLXYDN-BHDDXSALSA-N 1 0 516.639 2.254 50 0 KEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000888090260 1066230351 /nfs/dbraw/zinc/23/03/51/1066230351.db2.gz NXBMAORGXLXYDN-FKBYEOEOSA-N 1 0 516.639 2.254 50 0 KEAARO NC(=O)C1CC[NH+](CCC(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)CO4)CC1 ZINC000952855806 1066363642 /nfs/dbraw/zinc/36/36/42/1066363642.db2.gz CHTRSVBAVOAAOC-MUUNZHRXSA-N 1 0 520.630 2.026 50 0 KEAARO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3cccn(C)c3=O)C[C@@H]1OCc1cccc(c1)O2 ZINC000952855814 1066363419 /nfs/dbraw/zinc/36/34/19/1066363419.db2.gz DKDSHUVKCNLOPZ-VMPREFPWSA-N 1 0 605.692 2.405 50 0 KEAARO CC(C)CCOc1cccc(C[N@@H+]2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)c1 ZINC000952855835 1066363377 /nfs/dbraw/zinc/36/33/77/1066363377.db2.gz GKGRGVJEUQAIRG-WNCULLNHSA-N 1 0 561.687 2.178 50 0 KEAARO C[NH+]1CCC(CCC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)CC1 ZINC000952856021 1066364050 /nfs/dbraw/zinc/36/40/50/1066364050.db2.gz CDNJQKDFFRRAHB-UPVQGACJSA-N 1 0 531.057 2.362 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1cc(C3CC3)n[nH]1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952856031 1066364136 /nfs/dbraw/zinc/36/41/36/1066364136.db2.gz CWQBMOMKMNQZCZ-RKYHASQBSA-N 1 0 693.850 2.279 50 0 KEAARO Cc1c(C[N@H+]2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)[nH]c2ccc(Cl)cc12 ZINC000952856074 1066364095 /nfs/dbraw/zinc/36/40/95/1066364095.db2.gz HKIRVBNECWYCIL-AVRWGWEMSA-N 1 0 563.062 2.196 50 0 KEAARO CC[NH+]1CCC(CC(=O)N2C[C@@H]3NC(=O)CN(CCOC)C(=O)c4cncc(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952856097 1066364516 /nfs/dbraw/zinc/36/45/16/1066364516.db2.gz JIRBLBRXOCHDMD-NSOVKSMOSA-N 1 0 579.698 2.310 50 0 KEAARO NC(=O)C1CC[NH+](CC(=O)N2CC[C@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952856165 1066364783 /nfs/dbraw/zinc/36/47/83/1066364783.db2.gz PKKRGZKMKCUYFN-IZEXYCQBSA-N 1 0 569.666 2.016 50 0 KEAARO CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCC[N@H+](Cc2cc(F)ccc2-n2cccn2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952856166 1066364696 /nfs/dbraw/zinc/36/46/96/1066364696.db2.gz PNDGZHLVWJKRGX-HUNYZIAYSA-N 1 0 707.848 2.248 50 0 KEAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](Cc1cccc(O)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952856179 1066364477 /nfs/dbraw/zinc/36/44/77/1066364477.db2.gz QUHCJLBNJFJDOW-TVYLWUJTSA-N 1 0 683.847 2.027 50 0 KEAARO CCN1CC(=O)N[C@H]2CN(C(=O)C[NH3+])CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856204 1066364587 /nfs/dbraw/zinc/36/45/87/1066364587.db2.gz SCZUMTFVASMSCG-DQEYMECFSA-N 1 0 524.618 2.303 50 0 KEAARO COCCCN1CC(=O)N[C@H]2CN(C(=O)CC[NH3+])CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856228 1066364664 /nfs/dbraw/zinc/36/46/64/1066364664.db2.gz BOFNUVYGQCQRLH-IZZNHLLZSA-N 1 0 582.698 2.250 50 0 KEAARO CN1CCNC(=O)C[C@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952856245 1066365267 /nfs/dbraw/zinc/36/52/67/1066365267.db2.gz UQVINAZJDQFGEA-WXVAWEFUSA-N 1 0 559.671 2.075 50 0 KEAARO CC(C)Cc1ccc(C[N@@H+]2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)s1 ZINC000952856356 1066365205 /nfs/dbraw/zinc/36/52/05/1066365205.db2.gz ZUXJROZFSRTCBF-YADARESESA-N 1 0 537.690 2.013 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1cccnc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952856482 1066365863 /nfs/dbraw/zinc/36/58/63/1066365863.db2.gz JJMRSLOIZDMMBI-HAFIXEQPSA-N 1 0 664.808 2.073 50 0 KEAARO CCN1CC(=O)N[C@H]2CN(C(=O)CN3CC[NH+](CC)CC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952856514 1066365716 /nfs/dbraw/zinc/36/57/16/1066365716.db2.gz KONSIZOSTQSZQC-VMPREFPWSA-N 1 0 577.726 2.123 50 0 KEAARO CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CNC1=O)CC[NH+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000952856526 1066365749 /nfs/dbraw/zinc/36/57/49/1066365749.db2.gz JKWIWAIUVLADCK-AGTBWSIUSA-N 1 0 707.898 2.325 50 0 KEAARO CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCC[N@H+](Cc2cc3c(cc2Cl)OCO3)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952856579 1066365549 /nfs/dbraw/zinc/36/55/49/1066365549.db2.gz OXWZQMSPWVXBMA-QZAZWMEMSA-N 1 0 702.249 2.305 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1scnc1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952856657 1066366421 /nfs/dbraw/zinc/36/64/21/1066366421.db2.gz PAVRELLNRDCAQL-DNBKINIGSA-N 1 0 684.864 2.443 50 0 KEAARO CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CNC1=O)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000952856660 1066366139 /nfs/dbraw/zinc/36/61/39/1066366139.db2.gz PEKTXQVYZLDHLM-MZCDEXMASA-N 1 0 701.869 2.059 50 0 KEAARO O=C1NCCCn2cc(nn2)CC2(CCN(c3cc(N4CCCCC4)ncn3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952856694 1066366278 /nfs/dbraw/zinc/36/62/78/1066366278.db2.gz FMOQUKBPAHUPCV-VWLOTQADSA-N 1 0 557.703 2.135 50 0 KEAARO CN1CCNC(=O)C[C@H]2C[N@H+](Cc3ccccc3OC3CCCC3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952856704 1066366193 /nfs/dbraw/zinc/36/61/93/1066366193.db2.gz FSKCGUDEVHGARR-BKMJKUGQSA-N 1 0 559.671 2.075 50 0 KEAARO CC(C)c1cc(C[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)on1 ZINC000952856784 1066366241 /nfs/dbraw/zinc/36/62/41/1066366241.db2.gz HAUCOADGGXYQIK-IBGZPJMESA-N 1 0 529.638 2.261 50 0 KEAARO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(c(OC)c3)OCCn3cc(nn3)CC2)cc1Cl ZINC000952856806 1066366096 /nfs/dbraw/zinc/36/60/96/1066366096.db2.gz MOWWPBKACPCBFA-JCWMKJMESA-N 1 0 734.254 2.409 50 0 KEAARO C[NH+](C)CCCC[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952856858 1066366491 /nfs/dbraw/zinc/36/64/91/1066366491.db2.gz CHYBRTOXUDGAIH-LOSJGSFVSA-N 1 0 582.105 2.198 50 0 KEAARO Cc1ccc(-c2ccccc2C[N@H+]2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)o1 ZINC000952856899 1066366696 /nfs/dbraw/zinc/36/66/96/1066366696.db2.gz IHNFNEJGYAVXLZ-BKMJKUGQSA-N 1 0 555.639 2.322 50 0 KEAARO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952856909 1066366791 /nfs/dbraw/zinc/36/67/91/1066366791.db2.gz DDMCPJNUKCJBRF-SVBPBHIXSA-N 1 0 594.709 2.270 50 0 KEAARO CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCC[N@H+](CC2CCCCC2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952856988 1066367052 /nfs/dbraw/zinc/36/70/52/1066367052.db2.gz KYZNMWREUCTCKH-MPZGHSIBSA-N 1 0 629.843 2.303 50 0 KEAARO COc1cccc2c1OCc1cn(nn1)[C@@H]1C[N@H+](Cc3cccc(Cn4cccn4)c3)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952857055 1066367507 /nfs/dbraw/zinc/36/75/07/1066367507.db2.gz NTJSHXWTSUUMKV-RPLLCQBOSA-N 1 0 584.681 2.376 50 0 KEAARO CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CNC1=O)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000952857067 1066367492 /nfs/dbraw/zinc/36/74/92/1066367492.db2.gz WLYZUSRTVPUULB-XCAHYACXSA-N 1 0 686.854 2.422 50 0 KEAARO COc1ccccc1C[NH+]1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952857084 1066367620 /nfs/dbraw/zinc/36/76/20/1066367620.db2.gz XQUHCBIIHSXPHZ-VWLOTQADSA-N 1 0 516.646 2.359 50 0 KEAARO COc1cc2c(cc1C[N@@H+]1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CCc3ccc(c(OC)c3)OCC(=O)NCCC1)OCO2 ZINC000952857123 1066367386 /nfs/dbraw/zinc/36/73/86/1066367386.db2.gz KAFAXPUOMZEVIA-ZUSSQJSTSA-N 1 0 741.883 2.059 50 0 KEAARO Cc1ccc(C[N@H+]2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)c2ccccc12 ZINC000952857251 1066367571 /nfs/dbraw/zinc/36/75/71/1066367571.db2.gz SNGXMDDTWMDVTI-WXVAWEFUSA-N 1 0 539.640 2.215 50 0 KEAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)C1 ZINC000952857416 1066368233 /nfs/dbraw/zinc/36/82/33/1066368233.db2.gz MYOZIFHJRJNWEB-HSZRJFAPSA-N 1 0 504.631 2.500 50 0 KEAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)C1 ZINC000952857420 1066368077 /nfs/dbraw/zinc/36/80/77/1066368077.db2.gz MYOZIFHJRJNWEB-QHCPKHFHSA-N 1 0 504.631 2.500 50 0 KEAARO COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CC1CC[NH+](C)CC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952857435 1066367869 /nfs/dbraw/zinc/36/78/69/1066367869.db2.gz NKIBYKPKMUDZMN-LJAQVGFWSA-N 1 0 631.778 2.330 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1ccccn1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952857450 1066368030 /nfs/dbraw/zinc/36/80/30/1066368030.db2.gz HYAFMAAEBGYHBX-HAFIXEQPSA-N 1 0 664.808 2.073 50 0 KEAARO COCC[NH+]1CCC(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952857470 1066368838 /nfs/dbraw/zinc/36/88/38/1066368838.db2.gz UVRHLUHVDQWFJA-XCZPVHLTSA-N 1 0 564.683 2.444 50 0 KEAARO COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](Cc1cc(C(C)(C)C)n[nH]1)CCCNC2=O ZINC000952857503 1066368724 /nfs/dbraw/zinc/36/87/24/1066368724.db2.gz JAPOVBMMSTXJKM-FQEVSTJZSA-N 1 0 556.708 2.474 50 0 KEAARO COCCCN1CC(=O)N[C@H]2CN(C(=O)C[NH+](C)C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952857546 1066368693 /nfs/dbraw/zinc/36/86/93/1066368693.db2.gz JXMOVEQVTYGBTP-RRPNLBNLSA-N 1 0 596.725 2.463 50 0 KEAARO COCCN1CC(=O)N[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952857625 1066368801 /nfs/dbraw/zinc/36/88/01/1066368801.db2.gz SBXQSNSDMRTCTM-WNJJXGMVSA-N 1 0 594.709 2.217 50 0 KEAARO CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952857649 1066369014 /nfs/dbraw/zinc/36/90/14/1066369014.db2.gz TWBMZXBJDLRKPK-JVVMDBNWSA-N 1 0 640.789 2.218 50 0 KEAARO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952857721 1066369102 /nfs/dbraw/zinc/36/91/02/1066369102.db2.gz MKKPCICCVUVMCM-AHWVRZQESA-N 1 0 520.630 2.427 50 0 KEAARO COc1cccc2c1OCc1cn(nn1)[C@@H]1C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952857725 1066369321 /nfs/dbraw/zinc/36/93/21/1066369321.db2.gz SCHABZCCCCYDEJ-FDDCHVKYSA-N 1 0 560.615 2.114 50 0 KEAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](Cc1cc3c(cc1C)OCCO3)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952857745 1066369166 /nfs/dbraw/zinc/36/91/66/1066369166.db2.gz SQNIPNRAZPEUBQ-KKHUAKQOSA-N 1 0 739.911 2.401 50 0 KEAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952857765 1066369050 /nfs/dbraw/zinc/36/90/50/1066369050.db2.gz TXZRGWHXIAVYOY-SANMLTNESA-N 1 0 528.657 2.285 50 0 KEAARO COc1ccc2cc1O[C@@H]1C[NH2+][C@@H](C1)C(=O)NCCCCN(C(=O)c1cc(F)cc(F)c1)CCCNC2=O ZINC000952857774 1066369250 /nfs/dbraw/zinc/36/92/50/1066369250.db2.gz NPTISNYVCKXIAV-VXKWHMMOSA-N 1 0 530.572 2.255 50 0 KEAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc3cccc(c3)OCC(=O)NCCC1)CO2 ZINC000952857776 1066369023 /nfs/dbraw/zinc/36/90/23/1066369023.db2.gz ULOWAPLLEJZSQS-ZTTQLQLLSA-N 1 0 707.869 2.207 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1nccs1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952857808 1066369540 /nfs/dbraw/zinc/36/95/40/1066369540.db2.gz VBDHNVNNZLZQIE-QZANCMGBSA-N 1 0 670.837 2.135 50 0 KEAARO O=C1NCCc2ccc(cc2)OCCCn2cc(nn2)CC12CC[NH+](Cc1cnn3cccnc13)CC2 ZINC000952857820 1066369649 /nfs/dbraw/zinc/36/96/49/1066369649.db2.gz PMXUDFURNXPCIQ-UHFFFAOYSA-N 1 0 500.607 2.287 50 0 KEAARO CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CNC1=O)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000952857862 1066369731 /nfs/dbraw/zinc/36/97/31/1066369731.db2.gz RCYIXNJYDFLPJM-KLAXBHERSA-N 1 0 671.786 2.152 50 0 KEAARO C[NH+](C)CCCC[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952858553 1066370169 /nfs/dbraw/zinc/37/01/69/1066370169.db2.gz CHYBRTOXUDGAIH-DQEYMECFSA-N 1 0 582.105 2.198 50 0 KEAARO COCC[NH+]1CCC(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)CC1 ZINC000952858557 1066370366 /nfs/dbraw/zinc/37/03/66/1066370366.db2.gz CNDPFLZYIDJBPU-VMPREFPWSA-N 1 0 638.762 2.286 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1ccc3c(c1)OCO3)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952858854 1066370023 /nfs/dbraw/zinc/37/00/23/1066370023.db2.gz HEAWXUBWGICKSH-NJYCQMJSSA-N 1 0 707.829 2.407 50 0 KEAARO Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC(=O)NCCN(C)C(=O)c5cccn(c5=O)Cc5cn(nn5)[C@@H]4C3)cc2)o1 ZINC000952858980 1066370248 /nfs/dbraw/zinc/37/02/48/1066370248.db2.gz LPCVBZBUGXZMLD-JYFHCDHNSA-N 1 0 555.639 2.322 50 0 KEAARO CCc1nccc(C[N@@H+]2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(OC)c(c3)OCc3cn(nn3)CCC2)n1 ZINC000952859046 1066370699 /nfs/dbraw/zinc/37/06/99/1066370699.db2.gz NTOKMIGGJYGCNK-OJDZNQKVSA-N 1 0 693.850 2.031 50 0 KEAARO COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@@H]1NC2=O ZINC000952859067 1066370750 /nfs/dbraw/zinc/37/07/50/1066370750.db2.gz NUSBICOISFPOMM-URXFXBBRSA-N 1 0 540.665 2.152 50 0 KEAARO COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CSCC[NH+]1CCCC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952859402 1066370794 /nfs/dbraw/zinc/37/07/94/1066370794.db2.gz WEGLFGCGZDEXKL-LJAQVGFWSA-N 1 0 663.845 2.427 50 0 KEAARO COc1cc2c(cc1C[NH+]1CCC3(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC3=O)OCO2 ZINC000952861514 1066371265 /nfs/dbraw/zinc/37/12/65/1066371265.db2.gz AAEUGIBJXWZLMF-DEOSSOPVSA-N 1 0 560.655 2.088 50 0 KEAARO CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N=C2C=C(CCNC(=O)[C@H](C)NC1=O)[NH+]=C(N1CCC(OCc3ccccn3)CC1)N2 ZINC000952861782 1066371890 /nfs/dbraw/zinc/37/18/90/1066371890.db2.gz AXCGGKCKFVQNOS-KNHXXRFOSA-N 1 0 628.778 2.081 50 0 KEAARO CC1=C(CC[N@H+]2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)C(C)(C)CCC1 ZINC000952861808 1066371764 /nfs/dbraw/zinc/37/17/64/1066371764.db2.gz BRZLQSCZAYRALY-SQJMNOBHSA-N 1 0 535.693 2.470 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1cccc(C)n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952861886 1066371618 /nfs/dbraw/zinc/37/16/18/1066371618.db2.gz FXKVDDPGXWNTCT-MPZGHSIBSA-N 1 0 678.835 2.382 50 0 KEAARO COc1ccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1OC ZINC000952862000 1066372213 /nfs/dbraw/zinc/37/22/13/1066372213.db2.gz HRTQFVZNGPJCOJ-VWLOTQADSA-N 1 0 546.672 2.368 50 0 KEAARO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3cccn(C)c3=O)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952862257 1066372780 /nfs/dbraw/zinc/37/27/80/1066372780.db2.gz NNJGTCKMMRPCQE-FIBWVYCGSA-N 1 0 604.704 2.493 50 0 KEAARO CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CC[N@H+](Cc2cccc(O)c2)CCNC1=O ZINC000952862344 1066373450 /nfs/dbraw/zinc/37/34/50/1066373450.db2.gz LTABIKPSVBHWGQ-BOGJOCPPSA-N 1 0 670.211 2.291 50 0 KEAARO CCc1cc(N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)nc(N(C)C)[nH+]1 ZINC000952862558 1066373261 /nfs/dbraw/zinc/37/32/61/1066373261.db2.gz PLGFHNURFHKQCS-QFIPXVFZSA-N 1 0 597.761 2.195 50 0 KEAARO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@H+](CCOCCO)CC[C@H]1OCc1cccc(c1)O2 ZINC000952862564 1066373373 /nfs/dbraw/zinc/37/33/73/1066373373.db2.gz BNFJCANVOYOKJN-IZZNHLLZSA-N 1 0 527.618 2.048 50 0 KEAARO COc1cc(C)c(C[N@@H+]2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1C(C)C ZINC000952862613 1066373819 /nfs/dbraw/zinc/37/38/19/1066373819.db2.gz CJFZUICVZUXREB-BKMJKUGQSA-N 1 0 561.687 2.194 50 0 KEAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1ccncc1)CCCNC(=O)CC2 ZINC000952863099 1066374234 /nfs/dbraw/zinc/37/42/34/1066374234.db2.gz FLKWSZJEJARGQT-QFIPXVFZSA-N 1 0 539.677 2.167 50 0 KEAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](CC(C)C)CCCNC(=O)CC2 ZINC000952863117 1066374121 /nfs/dbraw/zinc/37/41/21/1066374121.db2.gz FVYROJJYJLRFRJ-NRFANRHFSA-N 1 0 504.672 2.228 50 0 KEAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](CC=C(C)C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952863242 1066374813 /nfs/dbraw/zinc/37/48/13/1066374813.db2.gz VESJGWRISGZKTB-PEIKUDQGSA-N 1 0 645.842 2.088 50 0 KEAARO C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952863352 1066375454 /nfs/dbraw/zinc/37/54/54/1066375454.db2.gz ILHFPPVQFVLIGS-OATBXSGESA-N 1 0 695.821 2.231 50 0 KEAARO COc1cc2ccc1Oc1cccc(c1)CO[C@H]1C[N@H+](CCN3CCOCC3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952863602 1066363665 /nfs/dbraw/zinc/36/36/65/1066363665.db2.gz QUBZUBLHJQTZIZ-FIBWVYCGSA-N 1 0 578.710 2.443 50 0 KEAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](Cc1ccncc1Cl)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952863678 1066371003 /nfs/dbraw/zinc/37/10/03/1066371003.db2.gz RQZNICQWCQNCHT-NJYCQMJSSA-N 1 0 703.281 2.370 50 0 KEAARO C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCC[N@H+](Cc2ccc(Sc3nncn3C)o2)CCCCN(C)C1=O ZINC000952863686 1066371153 /nfs/dbraw/zinc/37/11/53/1066371153.db2.gz RVNRQXQEHRHEOI-IBGZPJMESA-N 1 0 599.714 2.023 50 0 KEAARO CCCn1ncc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1C ZINC000952863794 1066376984 /nfs/dbraw/zinc/37/69/84/1066376984.db2.gz DCYZQSUMWQTTRO-SANMLTNESA-N 1 0 532.693 2.265 50 0 KEAARO COCCN1CC(=O)N[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863795 1066376778 /nfs/dbraw/zinc/37/67/78/1066376778.db2.gz GETOBXAIECLNDT-NSOVKSMOSA-N 1 0 579.698 2.309 50 0 KEAARO C[NH+]1CCC(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952863940 1066377352 /nfs/dbraw/zinc/37/73/52/1066377352.db2.gz WOZZHDBWPWIQKA-LITSAYRRSA-N 1 0 502.615 2.485 50 0 KEAARO COc1ccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1F ZINC000952864035 1066377423 /nfs/dbraw/zinc/37/74/23/1066377423.db2.gz HQCSNOKRGFIIDE-VWLOTQADSA-N 1 0 534.636 2.498 50 0 KEAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952864113 1066377936 /nfs/dbraw/zinc/37/79/36/1066377936.db2.gz XXDWRZQVYSUYGY-VWLOTQADSA-N 1 0 544.656 2.122 50 0 KEAARO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1ccccn1)CCCNC(=O)CC2 ZINC000952864134 1066377731 /nfs/dbraw/zinc/37/77/31/1066377731.db2.gz LQGDAPCXDNSSTR-QFIPXVFZSA-N 1 0 539.677 2.167 50 0 KEAARO COc1ccc(-n2cccn2)c(C[N@@H+]2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccc(OC)c4OCc4cn(nn4)[C@@H]3C2)c1 ZINC000952864173 1066378103 /nfs/dbraw/zinc/37/81/03/1066378103.db2.gz LYUBDCGFPYDITC-WXVAWEFUSA-N 1 0 600.680 2.325 50 0 KEAARO Cc1ccc2ccccc2c1C[N@H+]1C[C@@H]2CC(=O)NCCN(C)C(=O)c3cccn(c3=O)Cc3cn(nn3)[C@@H]2C1 ZINC000952864190 1066377983 /nfs/dbraw/zinc/37/79/83/1066377983.db2.gz YQAZNXRHMNKTSA-WXVAWEFUSA-N 1 0 539.640 2.215 50 0 KEAARO CN1CC(=O)N[C@H]2CN(C(=O)CN3CCC[N@H+](C)CC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952864303 1066378548 /nfs/dbraw/zinc/37/85/48/1066378548.db2.gz OBLJYPCSPNASOB-URLMMPGGSA-N 1 0 577.726 2.123 50 0 KEAARO CC(C)c1cc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)on1 ZINC000952864471 1066378685 /nfs/dbraw/zinc/37/86/85/1066378685.db2.gz HRJYHFWBRAGFIY-VWLOTQADSA-N 1 0 519.650 2.462 50 0 KEAARO CCCCCC[N@@H+]1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc2cccc(c2)OCC(=O)NCCC1 ZINC000952864586 1066379161 /nfs/dbraw/zinc/37/91/61/1066379161.db2.gz JPKFYDNLCJFONH-DERQMEARSA-N 1 0 617.832 2.303 50 0 KEAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3cccc(O)c3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952864607 1066378922 /nfs/dbraw/zinc/37/89/22/1066378922.db2.gz KAFZSJCRIJJPTQ-VWLOTQADSA-N 1 0 502.619 2.056 50 0 KEAARO Cc1cc(C)n(CCC[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)n1 ZINC000952864655 1066379651 /nfs/dbraw/zinc/37/96/51/1066379651.db2.gz NWYYIHFFTORFCW-SANMLTNESA-N 1 0 532.693 2.054 50 0 KEAARO Cc1cccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)n1 ZINC000952864729 1066379417 /nfs/dbraw/zinc/37/94/17/1066379417.db2.gz PQPWUSMWLRUCBY-VWLOTQADSA-N 1 0 501.635 2.054 50 0 KEAARO COc1ccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c(F)c1 ZINC000952864730 1066379391 /nfs/dbraw/zinc/37/93/91/1066379391.db2.gz LPUOQDWONZFNOI-SANMLTNESA-N 1 0 534.636 2.498 50 0 KEAARO COCCN1CC(=O)N[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952864731 1066379687 /nfs/dbraw/zinc/37/96/87/1066379687.db2.gz OQWPVVJTQQHKAI-FIBWVYCGSA-N 1 0 608.736 2.463 50 0 KEAARO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952864773 1066379636 /nfs/dbraw/zinc/37/96/36/1066379636.db2.gz QIAYOVULRROZPZ-IGKIAQTJSA-N 1 0 522.646 2.487 50 0 KEAARO COc1cccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1OC ZINC000952864805 1066379989 /nfs/dbraw/zinc/37/99/89/1066379989.db2.gz LWWYEQQHSCHICO-VWLOTQADSA-N 1 0 546.672 2.368 50 0 KEAARO Cc1cc(C)cc(C[N@@H+]2CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(C)c(c3)OCCCn3cc(nn3)CC2)c1 ZINC000952864848 1066380105 /nfs/dbraw/zinc/38/01/05/1066380105.db2.gz QEPJUQXBHHMXGL-LXFBAYGMSA-N 1 0 548.688 2.326 50 0 KEAARO COc1c(F)cccc1C[NH+]1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864914 1066380182 /nfs/dbraw/zinc/38/01/82/1066380182.db2.gz QVVKEYZFDJNLBE-VWLOTQADSA-N 1 0 534.636 2.498 50 0 KEAARO COc1cc2ccc1OCCn1cc(nn1)CC[N@H+](Cc1cc3cccc(C)c3[nH]c1=O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952865072 1066380584 /nfs/dbraw/zinc/38/05/84/1066380584.db2.gz NGSNEGHCUPHWGE-ZTTQLQLLSA-N 1 0 750.857 2.309 50 0 KEAARO CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCC[N@H+](Cc2nn(C)c3cccc(Cl)c23)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952865247 1066381094 /nfs/dbraw/zinc/38/10/94/1066381094.db2.gz VLIHJISUOVSOEZ-CFVKZYLDSA-N 1 0 712.292 2.463 50 0 KEAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](Cc1cc(C(C)C)no1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952865262 1066381223 /nfs/dbraw/zinc/38/12/23/1066381223.db2.gz VLMKUFSLHGTBGM-TVYLWUJTSA-N 1 0 700.878 2.433 50 0 KEAARO CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCC[N@H+](Cc2nc3c(s2)CCCC3)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952865265 1066381289 /nfs/dbraw/zinc/38/12/89/1066381289.db2.gz VVGPSCUIGZLLFA-NJYCQMJSSA-N 1 0 684.904 2.258 50 0 KEAARO COc1cc2ccc1OCCn1cc(nn1)CC[N@H+](Cc1cccc(SC)c1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952865322 1066380886 /nfs/dbraw/zinc/38/08/86/1066380886.db2.gz WAWAXOHWIGGTOV-LZDWAJIASA-N 1 0 715.877 2.469 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1c(C)nn(C)c1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952865375 1066381033 /nfs/dbraw/zinc/38/10/33/1066381033.db2.gz PMJHVQGMVPDYDM-MPZGHSIBSA-N 1 0 695.866 2.028 50 0 KEAARO COc1cc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc(OC)c1 ZINC000952865440 1066381536 /nfs/dbraw/zinc/38/15/36/1066381536.db2.gz XUHUINGRZKDTNW-MHZLTWQESA-N 1 0 546.672 2.368 50 0 KEAARO CCN1CC(=O)N[C@H]2CN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952865461 1066381572 /nfs/dbraw/zinc/38/15/72/1066381572.db2.gz YRDYSPVURGFECV-VMPREFPWSA-N 1 0 605.736 2.073 50 0 KEAARO COc1cc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)ccc1F ZINC000952865568 1066381586 /nfs/dbraw/zinc/38/15/86/1066381586.db2.gz ROZDTSOALUANLK-VWLOTQADSA-N 1 0 534.636 2.498 50 0 KEAARO O=C1NCCCn2cc(nn2)CC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952865879 1066382838 /nfs/dbraw/zinc/38/28/38/1066382838.db2.gz YWXSAFPGHDFIGD-DEOSSOPVSA-N 1 0 530.629 2.079 50 0 KEAARO O=C1CCNC(=O)c2cc(OCC3CC3)cc(c2)Oc2cccc(c2)CO[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2N1 ZINC000952865881 1066382725 /nfs/dbraw/zinc/38/27/25/1066382725.db2.gz USXDURMCXKVWNV-WUFINQPMSA-N 1 0 553.656 2.486 50 0 KEAARO CCN1CC(=O)N[C@H]2CN(C(=O)C[NH+](C)C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952865977 1066382937 /nfs/dbraw/zinc/38/29/37/1066382937.db2.gz ZMQWCSFBVCWJDG-DQEYMECFSA-N 1 0 508.619 2.047 50 0 KEAARO COCCN1CC(=O)N[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952866074 1066383544 /nfs/dbraw/zinc/38/35/44/1066383544.db2.gz YYTKDBFQMIJISL-WNJJXGMVSA-N 1 0 596.725 2.463 50 0 KEAARO COc1c(C)cnc(C[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)c1C ZINC000952866075 1066383266 /nfs/dbraw/zinc/38/32/66/1066383266.db2.gz ZARDODZNDQAGFK-NRFANRHFSA-N 1 0 555.676 2.170 50 0 KEAARO CC(C)[NH+]1CCC(CC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)CC1 ZINC000952866504 1066383221 /nfs/dbraw/zinc/38/32/21/1066383221.db2.gz ACFDMQPWBSIZDX-MHZLTWQESA-N 1 0 563.747 2.187 50 0 KEAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](Cc1cc(C(C)(C)C)n[nH]1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952866815 1066383305 /nfs/dbraw/zinc/38/33/05/1066383305.db2.gz FCTKAYWBLCQZMS-MCKSPXCPSA-N 1 0 713.921 2.342 50 0 KEAARO C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCC[N@H+](Cc2ccccc2Cn2cccn2)CCCCN(C)C1=O ZINC000952867596 1066383917 /nfs/dbraw/zinc/38/39/17/1066383917.db2.gz QYKDZIFHJOOKEX-QHCPKHFHSA-N 1 0 576.698 2.395 50 0 KEAARO COc1cc2c(cc1C[N@@H+]1CCCCN(C)C(=O)[C@H](C)NC(=O)COc3ccc(cc3OC)C(=O)NCCC1)OCCO2 ZINC000952867862 1066384026 /nfs/dbraw/zinc/38/40/26/1066384026.db2.gz UINDPUKIWBKDDC-NRFANRHFSA-N 1 0 598.697 2.233 50 0 KEAARO Cc1sc2ccccc2c1C[N@H+]1C[C@@H]2CC(=O)NCCN(C)C(=O)c3cccn(c3=O)Cc3cn(nn3)[C@@H]2C1 ZINC000952868142 1066375110 /nfs/dbraw/zinc/37/51/10/1066375110.db2.gz ZKEIMXCYHVQIIF-YADARESESA-N 1 0 545.669 2.276 50 0 KEAARO Cc1ccc2cc1OCCCn1cc(nn1)CC[N@H+](CCCc1ccccc1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952868179 1066375224 /nfs/dbraw/zinc/37/52/24/1066375224.db2.gz COBMXXJHUHFQBY-LXFBAYGMSA-N 1 0 548.688 2.142 50 0 KEAARO COc1ccc(F)c(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1 ZINC000952868298 1066375765 /nfs/dbraw/zinc/37/57/65/1066375765.db2.gz JAVSYKKDZXNSAK-SANMLTNESA-N 1 0 534.636 2.498 50 0 KEAARO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN3CCC[N@H+](C)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952868462 1066375958 /nfs/dbraw/zinc/37/59/58/1066375958.db2.gz PEBKSCXVABDAAP-RRPNLBNLSA-N 1 0 563.699 2.113 50 0 KEAARO COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)CCC3CC[NH+](C)CC3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952868533 1066375927 /nfs/dbraw/zinc/37/59/27/1066375927.db2.gz BKCZMCRZWAOFIX-CLLHQPRTSA-N 1 0 746.950 2.345 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1ccncc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952869016 1066375799 /nfs/dbraw/zinc/37/57/99/1066375799.db2.gz KOVUKBOGGSKNAN-HAFIXEQPSA-N 1 0 664.808 2.073 50 0 KEAARO CC[NH+]1CCN(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)CC1 ZINC000952869231 1066376383 /nfs/dbraw/zinc/37/63/83/1066376383.db2.gz YSHORAXGPVNWSA-URLMMPGGSA-N 1 0 577.726 2.123 50 0 KEAARO NC(=O)C1CC[NH+](CC(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952869922 1066376580 /nfs/dbraw/zinc/37/65/80/1066376580.db2.gz PKKRGZKMKCUYFN-QCENPCRXSA-N 1 0 569.666 2.016 50 0 KEAARO CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CNC1=O)CC[NH+](Cc1ccccc1Cn1cccn1)CC2 ZINC000952870350 1066376324 /nfs/dbraw/zinc/37/63/24/1066376324.db2.gz XHXZGJKBJGJAGO-RRORXNGZSA-N 1 0 715.896 2.118 50 0 KEAARO COc1cc2ccc1OCC(=O)NCCC[N@H+](CC1CCCC1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952969064 1066384412 /nfs/dbraw/zinc/38/44/12/1066384412.db2.gz PIPJHLYLEMLVHA-ANDHLSMFSA-N 1 0 659.869 2.312 50 0 KEAARO COc1ccc2cc1OCc1cn(nn1)CCC[N@H+](Cc1c(C)noc1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952971164 1066383770 /nfs/dbraw/zinc/38/37/70/1066383770.db2.gz NDMSFQYEDCWMQB-JUJMZJBPSA-N 1 0 682.823 2.283 50 0 KEAARO CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1O ZINC001529508509 1066431213 /nfs/dbraw/zinc/43/12/13/1066431213.db2.gz MTLMDZJUGDUTCP-RHQSAMMMSA-N 1 0 540.669 2.247 50 0 KEAARO