smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)CC2(CC[NH2+]CC2)N1 ZINC001164391559 718809219 /nfs/dbraw/zinc/80/92/19/718809219.db2.gz VMUDSYYIXRHPDM-UHFFFAOYSA-N 1 0 416.259 2.540 20 0 HFADRO [NH3+][C@@]12C[C@@H]1CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1)C2 ZINC001164418561 718894318 /nfs/dbraw/zinc/89/43/18/718894318.db2.gz DGDGAGQPPZFPMQ-SCLBCKFNSA-N 1 0 408.836 2.959 20 0 HFADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164422802 718913566 /nfs/dbraw/zinc/91/35/66/718913566.db2.gz BCNXRLOVHXVASH-LJQANCHMSA-N 1 0 424.879 2.927 20 0 HFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164620232 719013407 /nfs/dbraw/zinc/01/34/07/719013407.db2.gz YAUDBQYJASTGRO-INTQDDNPSA-N 1 0 402.854 2.619 20 0 HFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164614157 719014272 /nfs/dbraw/zinc/01/42/72/719014272.db2.gz DARXGWBDOYADTG-QCZZGDTMSA-N 1 0 414.815 2.697 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(Cl)c3C(=O)OC)CC2)CC1 ZINC001164614073 719022286 /nfs/dbraw/zinc/02/22/86/719022286.db2.gz MODAAZSBSKDYMR-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(=O)OC)ccc3Cl)CC2)CC1 ZINC001164617816 719027748 /nfs/dbraw/zinc/02/77/48/719027748.db2.gz PNGRUOZAGIZLGK-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CCOC(=O)c1cnc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c(OC)c1 ZINC001164617412 719028642 /nfs/dbraw/zinc/02/86/42/719028642.db2.gz LGTBURYQELUGKB-UHFFFAOYSA-N 1 0 419.522 2.511 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3nc(C)n4C)CC2)CC1 ZINC001164618440 719030891 /nfs/dbraw/zinc/03/08/91/719030891.db2.gz WWITUDKEDNGOSA-UHFFFAOYSA-N 1 0 420.945 2.569 20 0 HFADRO CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626948 719052122 /nfs/dbraw/zinc/05/21/22/719052122.db2.gz SJYVWJFCLPDACA-CVEARBPZSA-N 1 0 406.939 2.634 20 0 HFADRO COC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C(=O)OC ZINC001164629564 719060531 /nfs/dbraw/zinc/06/05/31/719060531.db2.gz XWGUKOUMTZXRDB-MJGOQNOKSA-N 1 0 409.486 2.756 20 0 HFADRO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624292 719070663 /nfs/dbraw/zinc/07/06/63/719070663.db2.gz KVUHNVYEPOCLHI-WMZOPIPTSA-N 1 0 400.910 2.946 20 0 HFADRO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624286 719070707 /nfs/dbraw/zinc/07/07/07/719070707.db2.gz KVUHNVYEPOCLHI-AEFFLSMTSA-N 1 0 400.910 2.946 20 0 HFADRO CCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(N2CCOCC2)n1 ZINC001164627352 719088101 /nfs/dbraw/zinc/08/81/01/719088101.db2.gz JWMYVLMFORBUAT-RBBKRZOGSA-N 1 0 407.562 2.976 20 0 HFADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cnc1Cl ZINC001164619584 719127362 /nfs/dbraw/zinc/12/73/62/719127362.db2.gz FQUUIKWYMOBNNY-ZYHUDNBSSA-N 1 0 411.877 2.587 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164678103 719555573 /nfs/dbraw/zinc/55/55/73/719555573.db2.gz VNZRXOFPGVGDHF-WOJBJXKFSA-N 1 0 416.566 2.519 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164683607 719621348 /nfs/dbraw/zinc/62/13/48/719621348.db2.gz TZJLYIRWQXYBLK-UHFFFAOYSA-N 1 0 405.930 2.892 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ncccn4)[C@@H]3C2)nc1 ZINC001164692421 719801512 /nfs/dbraw/zinc/80/15/12/719801512.db2.gz OHKDXAITPLZRTE-NJDAHSKKSA-N 1 0 408.550 2.903 20 0 HFADRO COC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1OC ZINC001164695256 719887802 /nfs/dbraw/zinc/88/78/02/719887802.db2.gz KCKOKLRCCAXLFS-UHFFFAOYSA-N 1 0 417.531 2.810 20 0 HFADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807868 720069889 /nfs/dbraw/zinc/06/98/89/720069889.db2.gz GFJUJJNRMUDSKK-IERDGZPVSA-N 1 0 420.579 2.560 20 0 HFADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807869 720070589 /nfs/dbraw/zinc/07/05/89/720070589.db2.gz GFJUJJNRMUDSKK-IIBYNOLFSA-N 1 0 420.579 2.560 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ncccc31)CC2 ZINC001164710660 720100808 /nfs/dbraw/zinc/10/08/08/720100808.db2.gz KOVHECHGTXSQBX-IBGZPJMESA-N 1 0 404.518 2.927 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc1OCC ZINC001164813925 720111644 /nfs/dbraw/zinc/11/16/44/720111644.db2.gz RRNXKOGYRBODPO-JPYJTQIMSA-N 1 0 417.550 2.842 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164810043 720117219 /nfs/dbraw/zinc/11/72/19/720117219.db2.gz JIHCVVRZMUAMKH-AUSIDOKSSA-N 1 0 400.567 2.795 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164809666 720129318 /nfs/dbraw/zinc/12/93/18/720129318.db2.gz HVSIOSIXBQSDDD-JTSKRJEESA-N 1 0 402.539 2.617 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164819729 720155192 /nfs/dbraw/zinc/15/51/92/720155192.db2.gz XXDQHMCEZXGRSG-KSSFIOAISA-N 1 0 416.900 2.868 20 0 HFADRO Cc1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)ccc2c1 ZINC001164716170 720166014 /nfs/dbraw/zinc/16/60/14/720166014.db2.gz YLDNYZFWHIJOFQ-OAQYLSRUSA-N 1 0 406.534 2.888 20 0 HFADRO Cn1nnc2c1CCN(c1c(Cl)ccnc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718819 720179809 /nfs/dbraw/zinc/17/98/09/720179809.db2.gz RXIFBSKZFFAOHZ-OAHLLOKOSA-N 1 0 411.337 2.733 20 0 HFADRO Cn1nnc2c1CCN(c1nccc3c(F)cccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719590 720186041 /nfs/dbraw/zinc/18/60/41/720186041.db2.gz WMVCZIGQAZNQDT-HXUWFJFHSA-N 1 0 410.497 2.719 20 0 HFADRO CSc1cc(Cl)cnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715011 720194243 /nfs/dbraw/zinc/19/42/43/720194243.db2.gz IMPGUPPIEWKRFZ-INIZCTEOSA-N 1 0 422.986 2.802 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164815170 720202400 /nfs/dbraw/zinc/20/24/00/720202400.db2.gz WRMAGLFYJKPHGJ-YOEHRIQHSA-N 1 0 402.873 2.739 20 0 HFADRO CC(C)n1ccc2c1ncnc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812875 720233273 /nfs/dbraw/zinc/23/32/73/720233273.db2.gz JPCHXZVBUCNDEK-UHFFFAOYSA-N 1 0 409.538 2.819 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnnc(Cl)c2)CC1 ZINC001164833425 720319102 /nfs/dbraw/zinc/31/91/02/720319102.db2.gz XCFJHJMQWDQVFW-HZPDHXFCSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3ncsc32)CC1 ZINC001164829074 720319711 /nfs/dbraw/zinc/31/97/11/720319711.db2.gz LQJVVEUWSUYXNK-ZIAGYGMSSA-N 1 0 420.970 2.651 20 0 HFADRO COC(OC)c1cc(C)cnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826222 720331880 /nfs/dbraw/zinc/33/18/80/720331880.db2.gz FTHOSZCZXJFQFK-WOJBJXKFSA-N 1 0 416.566 2.593 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cncc(Cl)n2)CC1 ZINC001164826183 720331987 /nfs/dbraw/zinc/33/19/87/720331987.db2.gz FNSMHPAIMCILIS-HUUCEWRRSA-N 1 0 413.900 2.586 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827896 720350705 /nfs/dbraw/zinc/35/07/05/720350705.db2.gz NASZRYCHPDJQJS-WOJBJXKFSA-N 1 0 414.550 2.558 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3c4c([nH]c32)CCC4)CC1 ZINC001164830218 720351910 /nfs/dbraw/zinc/35/19/10/720351910.db2.gz VOLQJJMXBGEZQH-NHCUHLMSSA-N 1 0 407.562 2.963 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(Cn4ccnc4)c3C2)nc1 ZINC001164830553 720399003 /nfs/dbraw/zinc/39/90/03/720399003.db2.gz SCQHUWQMVCTFRN-FQEVSTJZSA-N 1 0 406.538 2.875 20 0 HFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)[nH]1 ZINC001164724729 720404198 /nfs/dbraw/zinc/40/41/98/720404198.db2.gz LHAHQPMARHJKAL-JKSUJKDBSA-N 1 0 412.881 2.646 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734456 720432951 /nfs/dbraw/zinc/43/29/51/720432951.db2.gz SFKNZKBPEWOWHZ-MOPGFXCFSA-N 1 0 409.538 2.509 20 0 HFADRO Cc1cc2ccccc2c(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)[nH+]1 ZINC001164831750 720462445 /nfs/dbraw/zinc/46/24/45/720462445.db2.gz PHQSILXTNGFJQR-HXUWFJFHSA-N 1 0 421.545 2.729 20 0 HFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164728327 720486595 /nfs/dbraw/zinc/48/65/95/720486595.db2.gz PEMZCQSWGRRSAO-IRXDYDNUSA-N 1 0 400.914 2.518 20 0 HFADRO COc1cnc(SC)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839463 720512774 /nfs/dbraw/zinc/51/27/74/720512774.db2.gz UUSPIDWHZWCDJR-GVDBMIGSSA-N 1 0 402.568 2.781 20 0 HFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834949 720518094 /nfs/dbraw/zinc/51/80/94/720518094.db2.gz IQEVTEOWVWKUGZ-ILZDJORESA-N 1 0 415.513 2.972 20 0 HFADRO CCOC(=O)Cc1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835713 720518142 /nfs/dbraw/zinc/51/81/42/720518142.db2.gz KGHUFSNPYNKZND-PWRODBHTSA-N 1 0 411.550 2.762 20 0 HFADRO CCOC(=O)Cc1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835714 720518292 /nfs/dbraw/zinc/51/82/92/720518292.db2.gz KGHUFSNPYNKZND-QHAWAJNXSA-N 1 0 411.550 2.762 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3ncn4C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836401 720531280 /nfs/dbraw/zinc/53/12/80/720531280.db2.gz JYHTYSYNXCLFSS-OWCLPIDISA-N 1 0 414.945 2.591 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164837351 720537072 /nfs/dbraw/zinc/53/70/72/720537072.db2.gz LXMLYASQDYVPIX-CMKODMSKSA-N 1 0 412.538 2.536 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCC[C@H]4COc4ccccn4)C3)n2)CC1 ZINC001164735819 720539696 /nfs/dbraw/zinc/53/96/96/720539696.db2.gz RUPHJUYAPSJHCI-RDPSFJRHSA-N 1 0 423.561 2.683 20 0 HFADRO Cc1cn(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cn1 ZINC001164837415 720572152 /nfs/dbraw/zinc/57/21/52/720572152.db2.gz MMGWBQPUGSGXSV-HSALFYBXSA-N 1 0 406.538 2.545 20 0 HFADRO COc1nnc(Cl)cc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164739085 720596785 /nfs/dbraw/zinc/59/67/85/720596785.db2.gz DWYQXRVFXFPETI-UHFFFAOYSA-N 1 0 412.872 2.539 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ncn4C3CC3)CC[C@@H]21 ZINC001164841505 720612277 /nfs/dbraw/zinc/61/22/77/720612277.db2.gz SLFWPBNIWCNRHZ-NEWSRXKRSA-N 1 0 406.538 2.736 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN([C@@H](F)Oc3cncc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837722 720635965 /nfs/dbraw/zinc/63/59/65/720635965.db2.gz IPRUYNIWJNCFGT-YYAJDYIMSA-N 1 0 408.909 2.832 20 0 HFADRO CSc1nc2ccsc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738458 720684597 /nfs/dbraw/zinc/68/45/97/720684597.db2.gz JVDZUPPROAUPRS-STQMWFEESA-N 1 0 400.533 2.545 20 0 HFADRO Clc1cccc(-c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)n1 ZINC001164739248 720699817 /nfs/dbraw/zinc/69/98/17/720699817.db2.gz MKVKIPGOSWDGLT-CVEARBPZSA-N 1 0 408.893 2.929 20 0 HFADRO COCCOc1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164842363 720715510 /nfs/dbraw/zinc/71/55/10/720715510.db2.gz YSWDSEMNTLYMHH-FQEVSTJZSA-N 1 0 412.534 2.762 20 0 HFADRO Cc1nc2c3ccccc3oc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739495 720725948 /nfs/dbraw/zinc/72/59/48/720725948.db2.gz IYABVENGAJURBR-JKSUJKDBSA-N 1 0 402.458 2.816 20 0 HFADRO Clc1cc(Cc2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743492 720738529 /nfs/dbraw/zinc/73/85/29/720738529.db2.gz QMQGGYAPOSSDTC-OALUTQOASA-N 1 0 422.920 2.853 20 0 HFADRO Fc1cc2ncnc(Cl)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744912 720744962 /nfs/dbraw/zinc/74/49/62/720744962.db2.gz TUVYUCLMGUXSAD-KGLIPLIRSA-N 1 0 400.845 2.554 20 0 HFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741482 720749125 /nfs/dbraw/zinc/74/91/25/720749125.db2.gz MRVWXMIDTUCESH-GJZGRUSLSA-N 1 0 413.913 2.798 20 0 HFADRO CCc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164741126 720757422 /nfs/dbraw/zinc/75/74/22/720757422.db2.gz MIMZQBIWHCKFLQ-CABCVRRESA-N 1 0 422.558 2.874 20 0 HFADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744078 720758460 /nfs/dbraw/zinc/75/84/60/720758460.db2.gz RDSNKIVVDWITIX-GJZGRUSLSA-N 1 0 402.930 2.868 20 0 HFADRO CCN(c1ccccc1)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164744077 720793005 /nfs/dbraw/zinc/79/30/05/720793005.db2.gz HIKJGEZFPXKXDB-UXHICEINSA-N 1 0 417.517 2.767 20 0 HFADRO Fc1ccc2nc(C(F)F)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744222 720800010 /nfs/dbraw/zinc/80/00/10/720800010.db2.gz IBYDIQUZSRVCIW-KBPBESRZSA-N 1 0 416.407 2.838 20 0 HFADRO Clc1nc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C2CC2)n1 ZINC001164746632 720803726 /nfs/dbraw/zinc/80/37/26/720803726.db2.gz MCXCKNPPTUQEGB-QWHCGFSZSA-N 1 0 407.305 2.793 20 0 HFADRO Cc1csc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164744899 720810085 /nfs/dbraw/zinc/81/00/85/720810085.db2.gz JLIZYSPLFWUCOR-OKZBNKHCSA-N 1 0 409.563 2.971 20 0 HFADRO COc1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748336 720815170 /nfs/dbraw/zinc/81/51/70/720815170.db2.gz QTDMQZUQPYXKSQ-KBAYOESNSA-N 1 0 402.930 2.715 20 0 HFADRO Clc1nc2cccnc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744019 720818692 /nfs/dbraw/zinc/81/86/92/720818692.db2.gz TYFWMUVZYXNPOY-XYJFISCASA-N 1 0 424.940 2.649 20 0 HFADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737998 720828893 /nfs/dbraw/zinc/82/88/93/720828893.db2.gz DFOHKTPZCQTQJI-IRFCIJBXSA-N 1 0 424.549 2.538 20 0 HFADRO Cc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164737432 720829686 /nfs/dbraw/zinc/82/96/86/720829686.db2.gz BCCCVJVGIVHEMB-OKZBNKHCSA-N 1 0 401.946 2.718 20 0 HFADRO Cc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164742130 720831630 /nfs/dbraw/zinc/83/16/30/720831630.db2.gz PYSHHNPGUMOCCQ-KCZVDYSFSA-N 1 0 403.534 2.909 20 0 HFADRO Fc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749411 720832710 /nfs/dbraw/zinc/83/27/10/720832710.db2.gz VTQLIFZSEYGIGP-SQGPQFPESA-N 1 0 407.497 2.740 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@@H]2C1 ZINC001164855902 720834561 /nfs/dbraw/zinc/83/45/61/720834561.db2.gz VKCHKIOOPGFWRD-VXGBXAGGSA-N 1 0 411.280 2.502 20 0 HFADRO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748727 720840936 /nfs/dbraw/zinc/84/09/36/720840936.db2.gz URZHLFODMGZQKB-BZUAXINKSA-N 1 0 423.899 2.646 20 0 HFADRO Clc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c2n1 ZINC001164750322 720841634 /nfs/dbraw/zinc/84/16/34/720841634.db2.gz XGGMRIXAPQBMKO-BFYDXBDKSA-N 1 0 412.929 2.582 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740434 720843934 /nfs/dbraw/zinc/84/39/34/720843934.db2.gz BSKJUYXIIKQNOE-BZUAXINKSA-N 1 0 419.986 2.823 20 0 HFADRO COc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164744753 720848903 /nfs/dbraw/zinc/84/89/03/720848903.db2.gz LPBXQASSUNIXSI-WSTZPKSXSA-N 1 0 419.533 2.609 20 0 HFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741911 720849527 /nfs/dbraw/zinc/84/95/27/720849527.db2.gz FWGFYEDTPGGAAL-JAXLGGSGSA-N 1 0 416.533 2.510 20 0 HFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741917 720849786 /nfs/dbraw/zinc/84/97/86/720849786.db2.gz FWGFYEDTPGGAAL-RZUBCFFCSA-N 1 0 416.533 2.510 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164748797 720853052 /nfs/dbraw/zinc/85/30/52/720853052.db2.gz MDZRHMUADWFLFB-CEXWTWQISA-N 1 0 413.595 2.948 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@H]2C1 ZINC001164852645 720856658 /nfs/dbraw/zinc/85/66/58/720856658.db2.gz FCBWIGUMDIURIN-PKOBYXMFSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164858211 720860417 /nfs/dbraw/zinc/86/04/17/720860417.db2.gz RQBOFLPMKHNEAQ-UNMCSNQZSA-N 1 0 421.545 2.653 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@H]2C1 ZINC001164859497 720869819 /nfs/dbraw/zinc/86/98/19/720869819.db2.gz UDRGOAXXCBEGIJ-GJZGRUSLSA-N 1 0 414.884 2.935 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ccn4C(C)C)CC[C@H]2C1 ZINC001164856038 720870942 /nfs/dbraw/zinc/87/09/42/720870942.db2.gz NXRHLGRVVKKTCL-DOTOQJQBSA-N 1 0 407.946 2.839 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164864697 720881169 /nfs/dbraw/zinc/88/11/69/720881169.db2.gz WNCUVWTYNKNWBV-KNQAVFIVSA-N 1 0 415.509 2.973 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@@H]2C1 ZINC001164864645 720888221 /nfs/dbraw/zinc/88/82/21/720888221.db2.gz WGEAMJDGYMVMFL-QUCCMNQESA-N 1 0 414.575 2.942 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164855010 720923203 /nfs/dbraw/zinc/92/32/03/720923203.db2.gz HCSJHZNTBUNADL-CYBMUJFWSA-N 1 0 406.918 2.925 20 0 HFADRO CCCCOc1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(Cl)c1 ZINC001164752268 720961483 /nfs/dbraw/zinc/96/14/83/720961483.db2.gz VHPVUDZOPDSPFA-UHFFFAOYSA-N 1 0 421.929 2.756 20 0 HFADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164753221 720968753 /nfs/dbraw/zinc/96/87/53/720968753.db2.gz BBXAMZZORZZWSB-LBPRGKRZSA-N 1 0 420.945 2.794 20 0 HFADRO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164753219 720968800 /nfs/dbraw/zinc/96/88/00/720968800.db2.gz BBXAMZZORZZWSB-GFCCVEGCSA-N 1 0 420.945 2.794 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)n2)CC1 ZINC001164760805 721029282 /nfs/dbraw/zinc/02/92/82/721029282.db2.gz DIJAPCZIGLMZEZ-ZJSXRUAMSA-N 1 0 423.561 2.573 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)n2)CC1 ZINC001164760803 721029596 /nfs/dbraw/zinc/02/95/96/721029596.db2.gz DIJAPCZIGLMZEZ-URXFXBBRSA-N 1 0 423.561 2.573 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164762223 721039374 /nfs/dbraw/zinc/03/93/74/721039374.db2.gz GWUSDTSVPMKZDD-NJDAHSKKSA-N 1 0 408.550 2.855 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CSCC2 ZINC001164866309 721056868 /nfs/dbraw/zinc/05/68/68/721056868.db2.gz DVIBEAZVDBTLFF-CVEARBPZSA-N 1 0 417.966 2.794 20 0 HFADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164865872 721061353 /nfs/dbraw/zinc/06/13/53/721061353.db2.gz BCWTZVORSFUOQS-QZTJIDSGSA-N 1 0 421.501 2.522 20 0 HFADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(Cl)n1 ZINC001164871411 721072173 /nfs/dbraw/zinc/07/21/73/721072173.db2.gz YQDXSPJGZGJMKL-HOTGVXAUSA-N 1 0 409.868 2.858 20 0 HFADRO Clc1nc2ncsc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164863318 721091851 /nfs/dbraw/zinc/09/18/51/721091851.db2.gz BSJSVANCWANCPH-UONOGXRCSA-N 1 0 402.911 2.614 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@H]3C2)cn1 ZINC001164765724 721107419 /nfs/dbraw/zinc/10/74/19/721107419.db2.gz KHKLVUUUCMAVOH-DLBZAZTESA-N 1 0 413.526 2.515 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765651 721108761 /nfs/dbraw/zinc/10/87/61/721108761.db2.gz JYNIDVQMRGTITF-MSOLQXFVSA-N 1 0 409.925 2.884 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771346 721127552 /nfs/dbraw/zinc/12/75/52/721127552.db2.gz SGQVHTKMCLSLEA-DLBZAZTESA-N 1 0 417.941 2.912 20 0 HFADRO CCOC(=O)c1cnc2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH]cc1-2 ZINC001164881198 721135284 /nfs/dbraw/zinc/13/52/84/721135284.db2.gz ZRHPQBHNGZBFIN-ZWKOTPCHSA-N 1 0 421.501 2.614 20 0 HFADRO COc1cccc(Oc2cncc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)c1 ZINC001164765082 721170638 /nfs/dbraw/zinc/17/06/38/721170638.db2.gz HRIWUMAQJDNHTM-MOPGFXCFSA-N 1 0 420.517 2.969 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@@H]3C2)cn1 ZINC001164766013 721177964 /nfs/dbraw/zinc/17/79/64/721177964.db2.gz IUKGPASBKWWIQU-STQMWFEESA-N 1 0 414.913 2.655 20 0 HFADRO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)CC1 ZINC001164762017 721197906 /nfs/dbraw/zinc/19/79/06/721197906.db2.gz BWGUPPDVXOLJRH-SFTDATJTSA-N 1 0 422.577 2.646 20 0 HFADRO COc1cc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164768093 721235896 /nfs/dbraw/zinc/23/58/96/721235896.db2.gz XVZICBHFMKWMEA-ZWKOTPCHSA-N 1 0 407.518 2.944 20 0 HFADRO Cc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(Cl)cc1Cl ZINC001164875555 721281620 /nfs/dbraw/zinc/28/16/20/721281620.db2.gz XAPYQTZXVQEZDH-UHFFFAOYSA-N 1 0 415.365 2.704 20 0 HFADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)n2)cc1 ZINC001164768836 721295561 /nfs/dbraw/zinc/29/55/61/721295561.db2.gz HUGSLQLITVEZCI-UHFFFAOYSA-N 1 0 414.531 2.595 20 0 HFADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)c1 ZINC001164874775 721299196 /nfs/dbraw/zinc/29/91/96/721299196.db2.gz CJACKXPJIAGWSO-MJGOQNOKSA-N 1 0 400.548 2.572 20 0 HFADRO c1ccc(N2CCN(c3cc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)ncn3)CC2)cc1 ZINC001164775466 721300760 /nfs/dbraw/zinc/30/07/60/721300760.db2.gz XHQPNWBJUQUEKW-UHFFFAOYSA-N 1 0 404.562 2.725 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4ncccc43)C2)C1 ZINC001164777632 721338664 /nfs/dbraw/zinc/33/86/64/721338664.db2.gz OWBMMSXBOZFVLB-JOCHJYFZSA-N 1 0 408.506 2.749 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886790 721373498 /nfs/dbraw/zinc/37/34/98/721373498.db2.gz NXGHNHVKKFEKMS-OFNKIYASSA-N 1 0 408.550 2.995 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892842 721397407 /nfs/dbraw/zinc/39/74/07/721397407.db2.gz TXRUSRMRYXABTR-VGOFRKELSA-N 1 0 404.986 2.989 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892843 721397686 /nfs/dbraw/zinc/39/76/86/721397686.db2.gz TXRUSRMRYXABTR-VGSWGCGISA-N 1 0 404.986 2.989 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886301 721398338 /nfs/dbraw/zinc/39/83/38/721398338.db2.gz DZKCLVAJQNWCGL-IHPCNDPISA-N 1 0 412.937 2.628 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886327 721398985 /nfs/dbraw/zinc/39/89/85/721398985.db2.gz FGTQHXVPARTDOM-FOIQADDNSA-N 1 0 424.014 2.642 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ncsc54)C3)O2)CC1 ZINC001164886556 721413764 /nfs/dbraw/zinc/41/37/64/721413764.db2.gz JXJOEVZWTHZOTG-IFXJQAMLSA-N 1 0 422.986 2.505 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5cccs5)nn4)C3)O2)CC1 ZINC001164887715 721421430 /nfs/dbraw/zinc/42/14/30/721421430.db2.gz MNXFANAGUFPIFL-GCJKJVERSA-N 1 0 413.591 2.971 20 0 HFADRO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)o1 ZINC001164889582 721441201 /nfs/dbraw/zinc/44/12/01/721441201.db2.gz BXAGXWVODVBQMA-WMZHIEFXSA-N 1 0 411.550 2.810 20 0 HFADRO CSc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(SC)n1 ZINC001164892033 721450788 /nfs/dbraw/zinc/45/07/88/721450788.db2.gz VWCCHPFGYFLEDH-UZLBHIALSA-N 1 0 423.652 2.686 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5c(nc4Cl)CCCC5)C3)O2)CC1 ZINC001164888400 721452009 /nfs/dbraw/zinc/45/20/09/721452009.db2.gz LXXDCOZGYVPQRB-JTSKRJEESA-N 1 0 420.001 2.774 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cnccc31)CC2 ZINC001164789321 721453244 /nfs/dbraw/zinc/45/32/44/721453244.db2.gz UUAPJJNGKXPTGA-IBGZPJMESA-N 1 0 411.550 2.759 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164892803 721453604 /nfs/dbraw/zinc/45/36/04/721453604.db2.gz YHTWZURRMXIGDG-DVECYGJZSA-N 1 0 424.593 2.991 20 0 HFADRO CCOc1cnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164788649 721455752 /nfs/dbraw/zinc/45/57/52/721455752.db2.gz SAUAWGJEOGXUPJ-IBGZPJMESA-N 1 0 404.555 2.609 20 0 HFADRO CCOc1nccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789320 721460955 /nfs/dbraw/zinc/46/09/55/721460955.db2.gz WXKKDUPLGFRMMK-IBGZPJMESA-N 1 0 404.555 2.609 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(N3CCOCC3)n1)CC2 ZINC001164796807 721497251 /nfs/dbraw/zinc/49/72/51/721497251.db2.gz YVBPSGVDJOIVAO-UHFFFAOYSA-N 1 0 408.550 2.589 20 0 HFADRO Cc1nc2c3ccccc3oc2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164798471 721515631 /nfs/dbraw/zinc/51/56/31/721515631.db2.gz UWQGQIZUHKCYTE-UHFFFAOYSA-N 1 0 417.517 2.649 20 0 HFADRO Cc1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1-c1ccccc1F ZINC001164795423 721521856 /nfs/dbraw/zinc/52/18/56/721521856.db2.gz PAZCQTGXTSEIRM-UHFFFAOYSA-N 1 0 421.524 2.555 20 0 HFADRO CCOC(=O)/C=C\c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810700 721529953 /nfs/dbraw/zinc/52/99/53/721529953.db2.gz YBIXTFJXIDMEJS-VKHYXYIFSA-N 1 0 422.529 2.921 20 0 HFADRO O=C(c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164907331 721544939 /nfs/dbraw/zinc/54/49/39/721544939.db2.gz MYPFDAVEZILAHJ-CTNGQTDRSA-N 1 0 410.493 2.799 20 0 HFADRO CN1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2C1 ZINC001164903556 721564482 /nfs/dbraw/zinc/56/44/82/721564482.db2.gz CHATWEZKYGTUPO-WBVHZDCISA-N 1 0 417.916 2.599 20 0 HFADRO COC(=O)/C=C\c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164800286 721570447 /nfs/dbraw/zinc/57/04/47/721570447.db2.gz DMTQNVHCVYVHCB-XXSSAVDBSA-N 1 0 422.529 2.839 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(N)=O)cc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164807643 721582063 /nfs/dbraw/zinc/58/20/63/721582063.db2.gz PBHQSNZHGYZQGL-YPAWHYETSA-N 1 0 417.513 2.597 20 0 HFADRO CCOC(=O)c1cncnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164902207 721583763 /nfs/dbraw/zinc/58/37/63/721583763.db2.gz CWMSKHDKEUVYQC-HXUWFJFHSA-N 1 0 417.460 2.786 20 0 HFADRO Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C(N)=O ZINC001164907098 721700695 /nfs/dbraw/zinc/70/06/95/721700695.db2.gz RNJUVBJZYZRKCB-HXUWFJFHSA-N 1 0 401.461 2.622 20 0 HFADRO COc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1OC ZINC001164904287 721702320 /nfs/dbraw/zinc/70/23/20/721702320.db2.gz BIKMFUMYQHWJRN-IBGZPJMESA-N 1 0 405.449 2.627 20 0 HFADRO C[C@H]1C(=O)Nc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164905686 721710314 /nfs/dbraw/zinc/71/03/14/721710314.db2.gz IJXWJGHLAAVYNG-VLIAUNLRSA-N 1 0 414.460 2.665 20 0 HFADRO CSc1nc2sccc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165007606 721730956 /nfs/dbraw/zinc/73/09/56/721730956.db2.gz FFMMQUMSTYLKQD-UHFFFAOYSA-N 1 0 405.593 2.936 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001165011646 721735161 /nfs/dbraw/zinc/73/51/61/721735161.db2.gz UIDGFSNNEAYUOC-UHFFFAOYSA-N 1 0 414.941 2.715 20 0 HFADRO COc1cccc2c1nc(Cl)nc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011957 721737448 /nfs/dbraw/zinc/73/74/48/721737448.db2.gz ZCYAQWHEIVMEQO-UHFFFAOYSA-N 1 0 417.941 2.815 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011533 721739565 /nfs/dbraw/zinc/73/95/65/721739565.db2.gz QAADMHPQRUTYCR-UHFFFAOYSA-N 1 0 422.957 2.743 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001165016491 721778551 /nfs/dbraw/zinc/77/85/51/721778551.db2.gz CYFUICSVEJFDGG-DYESRHJHSA-N 1 0 407.942 2.700 20 0 HFADRO c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncccc2C[NH+]2CCCC2)c1 ZINC001165015841 721782456 /nfs/dbraw/zinc/78/24/56/721782456.db2.gz ACNLXVIORAALDR-FKBYEOEOSA-N 1 0 411.550 2.717 20 0 HFADRO c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncccc2C[NH+]2CCCC2)c1 ZINC001165015840 721782785 /nfs/dbraw/zinc/78/27/85/721782785.db2.gz ACNLXVIORAALDR-BDTNDASRSA-N 1 0 411.550 2.717 20 0 HFADRO c1ccc(COC[C@]23COC[C@H]2CN(c2cccc(OCC[NH+]4CCCC4)n2)C3)nc1 ZINC001164928181 721839442 /nfs/dbraw/zinc/83/94/42/721839442.db2.gz XCEPIPPREJCDIC-YKSBVNFPSA-N 1 0 424.545 2.621 20 0 HFADRO CCOC(=O)c1cnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)cn1 ZINC001165020295 721840823 /nfs/dbraw/zinc/84/08/23/721840823.db2.gz HLKDRYTWLDTUPN-UHFFFAOYSA-N 1 0 414.506 2.771 20 0 HFADRO COCc1nc(OC)cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165031272 721845190 /nfs/dbraw/zinc/84/51/90/721845190.db2.gz ZYPWGSIHGUICEW-UHFFFAOYSA-N 1 0 416.522 2.750 20 0 HFADRO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2cc1OC ZINC001164925756 721858233 /nfs/dbraw/zinc/85/82/33/721858233.db2.gz FXLVXZFDSDZYMU-HOTGVXAUSA-N 1 0 405.930 2.515 20 0 HFADRO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nc2cc1OC ZINC001164922431 721865315 /nfs/dbraw/zinc/86/53/15/721865315.db2.gz GVIPGAYCRKBMRZ-CVEARBPZSA-N 1 0 405.930 2.515 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927933 721866454 /nfs/dbraw/zinc/86/64/54/721866454.db2.gz XGQQDMDARFNSOH-LEWJYISDSA-N 1 0 408.525 2.833 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927975 721870710 /nfs/dbraw/zinc/87/07/10/721870710.db2.gz XQJJXJNLFUAKPJ-HZPDHXFCSA-N 1 0 406.893 2.671 20 0 HFADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(Cl)n1 ZINC001164921888 721876188 /nfs/dbraw/zinc/87/61/88/721876188.db2.gz DLUVUDIHXCMZGX-HOTGVXAUSA-N 1 0 416.900 2.671 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926008 721876738 /nfs/dbraw/zinc/87/67/38/721876738.db2.gz PUQFOLFHQUHXJN-HOTGVXAUSA-N 1 0 415.542 2.520 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164931498 721882302 /nfs/dbraw/zinc/88/23/02/721882302.db2.gz FYQGWNAWPPAECK-HZPDHXFCSA-N 1 0 422.911 2.952 20 0 HFADRO CN(CC1CC[NH+](C)CC1)c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001165042744 721937243 /nfs/dbraw/zinc/93/72/43/721937243.db2.gz KTJPGKYWSMVRPI-UHFFFAOYSA-N 1 0 415.607 2.790 20 0 HFADRO Cc1cc2c(ncnc2N2CCC(C[NH+](C)C)CC2)n1S(=O)(=O)c1ccccc1 ZINC001165042260 721943641 /nfs/dbraw/zinc/94/36/41/721943641.db2.gz LGAOXGPZGNKCOY-UHFFFAOYSA-N 1 0 413.547 2.755 20 0 HFADRO c1nc2c(nc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc2N2CCOCC2)s1 ZINC001165047535 721967994 /nfs/dbraw/zinc/96/79/94/721967994.db2.gz KHMRWPBURSDMMD-INIZCTEOSA-N 1 0 402.568 2.768 20 0 HFADRO COC(=O)c1nc(Cl)cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164960569 722023483 /nfs/dbraw/zinc/02/34/83/722023483.db2.gz KTNRQVMYMSIRQV-UHFFFAOYSA-N 1 0 401.898 2.804 20 0 HFADRO Clc1ccc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980651 722104567 /nfs/dbraw/zinc/10/45/67/722104567.db2.gz JUEMXTKBHONUSF-FUHWJXTLSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1nc2ncccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984698 722104812 /nfs/dbraw/zinc/10/48/12/722104812.db2.gz TZNCDAWGXOVPMB-AEFFLSMTSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1ccc2c(ncnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164980654 722104920 /nfs/dbraw/zinc/10/49/20/722104920.db2.gz JUEMXTKBHONUSF-SJLPKXTDSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1nc2cnccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979266 722109340 /nfs/dbraw/zinc/10/93/40/722109340.db2.gz PRFXMGAIRQYLNR-LPHOPBHVSA-N 1 0 410.909 2.801 20 0 HFADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974901 722115520 /nfs/dbraw/zinc/11/55/20/722115520.db2.gz IVIDXQKPGHJLNK-PMACEKPBSA-N 1 0 410.518 2.607 20 0 HFADRO Clc1nc2cccnc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975815 722116898 /nfs/dbraw/zinc/11/68/98/722116898.db2.gz LBRAGVJMQYCOKJ-SJLPKXTDSA-N 1 0 410.909 2.801 20 0 HFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979797 722118575 /nfs/dbraw/zinc/11/85/75/722118575.db2.gz QENMPUJEJRLNNT-HLIPFELVSA-N 1 0 406.889 2.985 20 0 HFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164980282 722132761 /nfs/dbraw/zinc/13/27/61/722132761.db2.gz MKSSRESKEJDJQH-RTWAWAEBSA-N 1 0 423.561 2.732 20 0 HFADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979657 722133973 /nfs/dbraw/zinc/13/39/73/722133973.db2.gz LRGBNHCYEVLNSO-YPXJWJENSA-N 1 0 422.529 2.699 20 0 HFADRO FC(F)(c1nccnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978065 722136457 /nfs/dbraw/zinc/13/64/57/722136457.db2.gz JMEKBMMCVJWIFY-HZPDHXFCSA-N 1 0 409.868 2.797 20 0 HFADRO Cc1noc(-c2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982224 722142548 /nfs/dbraw/zinc/14/25/48/722142548.db2.gz RKYVIPSFJWUWEF-UYAOXDASSA-N 1 0 406.490 2.562 20 0 HFADRO CC1CCN(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164972808 722142642 /nfs/dbraw/zinc/14/26/42/722142642.db2.gz APSQIFURBVNKHI-VXKWHMMOSA-N 1 0 422.577 2.835 20 0 HFADRO Cc1noc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164979571 722144680 /nfs/dbraw/zinc/14/46/80/722144680.db2.gz LGECFDPDBKHJKS-PMACEKPBSA-N 1 0 406.490 2.562 20 0 HFADRO C[C@@H]1CCCN(c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)C1 ZINC001164985414 722149236 /nfs/dbraw/zinc/14/92/36/722149236.db2.gz ZJOGRMGSFGLOTA-BAGYTPMASA-N 1 0 422.577 2.835 20 0 HFADRO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)C1 ZINC001164985416 722149845 /nfs/dbraw/zinc/14/98/45/722149845.db2.gz ZJOGRMGSFGLOTA-CEMLEFRQSA-N 1 0 422.577 2.835 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995366 722207773 /nfs/dbraw/zinc/20/77/73/722207773.db2.gz MOWVOTPTQREVGY-OAQYLSRUSA-N 1 0 418.538 2.716 20 0 HFADRO COc1ccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)cc1 ZINC001165003393 722256277 /nfs/dbraw/zinc/25/62/77/722256277.db2.gz BQZVEJZHCAKLTL-UHFFFAOYSA-N 1 0 422.533 2.837 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccnc1Oc1ccccc1)CCC2 ZINC001165005006 722257399 /nfs/dbraw/zinc/25/73/99/722257399.db2.gz ZRCLCJKPODLIBC-UHFFFAOYSA-N 1 0 408.506 2.954 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000790468126 1078045144 /nfs/dbraw/zinc/04/51/44/1078045144.db2.gz PATINYKSYIJEAJ-HXUWFJFHSA-N 1 0 402.466 2.956 20 0 HFADRO CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000790538452 1078045747 /nfs/dbraw/zinc/04/57/47/1078045747.db2.gz IQVPJVNVHHVFNX-QGZVFWFLSA-N 1 0 419.545 2.880 20 0 HFADRO Cn1ccc2ccc(NC(=O)C(=O)NCCCCCCC[NH+]3CCCC3)cc2c1=O ZINC000793004220 1078045796 /nfs/dbraw/zinc/04/57/96/1078045796.db2.gz YIENSJOWCPIFBG-UHFFFAOYSA-N 1 0 412.534 2.640 20 0 HFADRO CC(C)N1C(=O)c2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2S1(=O)=O ZINC000790512021 1078048305 /nfs/dbraw/zinc/04/83/05/1078048305.db2.gz HTVYAZWQBQCJCR-UHFFFAOYSA-N 1 0 409.427 2.604 20 0 HFADRO CC(C)(C)OC(=O)NCCC[N@H+](C[C@@H](O)CC1(O)CCOCC1)CC1CCCC1 ZINC001170139619 1078055933 /nfs/dbraw/zinc/05/59/33/1078055933.db2.gz LMQNBHAOPDSVTO-IBGZPJMESA-N 1 0 414.587 2.686 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(Cl)n3)cc2)CC1 ZINC000793054760 1078057421 /nfs/dbraw/zinc/05/74/21/1078057421.db2.gz DIVWBRDRPJWHDS-UHFFFAOYSA-N 1 0 401.898 2.843 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000793087392 1078065270 /nfs/dbraw/zinc/06/52/70/1078065270.db2.gz YCHJHZJBZDOZCN-RADWXHQJSA-N 1 0 400.523 2.712 20 0 HFADRO Cc1ccc(CCC[N@@H+]2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cn1 ZINC000793089542 1078066128 /nfs/dbraw/zinc/06/61/28/1078066128.db2.gz VONYXTHOTUNDOJ-HXUWFJFHSA-N 1 0 416.566 2.866 20 0 HFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cc(F)ccc1F ZINC000747100495 1078066220 /nfs/dbraw/zinc/06/62/20/1078066220.db2.gz ISQSVOXFTIFGCM-AWEZNQCLSA-N 1 0 403.882 2.815 20 0 HFADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000793091337 1078066903 /nfs/dbraw/zinc/06/69/03/1078066903.db2.gz QBWNLOAXHWJKLZ-MAUKXSAKSA-N 1 0 414.333 2.608 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000793056981 1078068497 /nfs/dbraw/zinc/06/84/97/1078068497.db2.gz YYQHKSHTJFNVRH-LEWJYISDSA-N 1 0 400.567 2.801 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cnc(N4CCCC4)nc3)cc2)C1=O ZINC000790612128 1078075603 /nfs/dbraw/zinc/07/56/03/1078075603.db2.gz VQNYFBHCALDSMT-QHCPKHFHSA-N 1 0 420.517 2.592 20 0 HFADRO CN(C(=O)c1nc(Br)ccc1Br)[C@H]1C[NH+]2CCC1CC2 ZINC000790624918 1078080966 /nfs/dbraw/zinc/08/09/66/1078080966.db2.gz GMPOCUIAUSCUIM-NSHDSACASA-N 1 0 403.118 2.773 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)NC2CC[NH+](CC3CC3)CC2)cs1 ZINC000793116108 1078083440 /nfs/dbraw/zinc/08/34/40/1078083440.db2.gz GVXBCMUPTKRFFY-UHFFFAOYSA-N 1 0 408.568 2.815 20 0 HFADRO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000793181351 1078095504 /nfs/dbraw/zinc/09/55/04/1078095504.db2.gz CYMIRAMIYRAMKY-NRFANRHFSA-N 1 0 407.518 2.740 20 0 HFADRO CC(C)(CNC(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000790712378 1078103657 /nfs/dbraw/zinc/10/36/57/1078103657.db2.gz ZSFWLCGNYSINKK-UHFFFAOYSA-N 1 0 402.539 2.772 20 0 HFADRO COc1ccc(-n2cnn(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2=S)cn1 ZINC000772829146 1078105938 /nfs/dbraw/zinc/10/59/38/1078105938.db2.gz RNTGYXYDCCPBAE-QAPCUYQASA-N 1 0 400.552 2.713 20 0 HFADRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)[C@H](O)c1ccccc1 ZINC000793238053 1078108155 /nfs/dbraw/zinc/10/81/55/1078108155.db2.gz HVLPKQOJKCDQQV-VQTJNVASSA-N 1 0 420.579 2.672 20 0 HFADRO CS(=O)(=O)CC[C@H]1CCCCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000793247888 1078109509 /nfs/dbraw/zinc/10/95/09/1078109509.db2.gz SUROGPGLHVCNQM-HXUWFJFHSA-N 1 0 423.648 2.815 20 0 HFADRO C[C@@H](CNC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790761981 1078113414 /nfs/dbraw/zinc/11/34/14/1078113414.db2.gz OEBSJJDEYKAYKR-ULQDDVLXSA-N 1 0 400.539 2.707 20 0 HFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)c2nnnn2C2CC2)CC1 ZINC000790734028 1078119173 /nfs/dbraw/zinc/11/91/73/1078119173.db2.gz FTJHJTIHAHPXCR-CYBMUJFWSA-N 1 0 418.933 2.686 20 0 HFADRO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc21 ZINC000793290330 1078119479 /nfs/dbraw/zinc/11/94/79/1078119479.db2.gz FGJFIWZYHXJHHX-RTBURBONSA-N 1 0 415.534 2.967 20 0 HFADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000790814036 1078127670 /nfs/dbraw/zinc/12/76/70/1078127670.db2.gz GFJUDBNEXXHEBO-MRXNPFEDSA-N 1 0 420.554 2.872 20 0 HFADRO C[C@@]1([NH2+]CCN2C(=O)c3ccccc3C2=O)CCN(C(=O)OCc2ccccc2)C1 ZINC000793344321 1078131813 /nfs/dbraw/zinc/13/18/13/1078131813.db2.gz QCRHHMQRJKFYQG-HSZRJFAPSA-N 1 0 407.470 2.673 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793315386 1078134600 /nfs/dbraw/zinc/13/46/00/1078134600.db2.gz QWQJBNOZMREOBY-QRVBRYPASA-N 1 0 422.614 2.649 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000793321450 1078136735 /nfs/dbraw/zinc/13/67/35/1078136735.db2.gz IDONZPQEPSHZKA-FQEVSTJZSA-N 1 0 424.636 2.750 20 0 HFADRO CSC1(CNC(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000793359627 1078147192 /nfs/dbraw/zinc/14/71/92/1078147192.db2.gz UUVKZQUIULFCJV-HUUCEWRRSA-N 1 0 415.600 2.691 20 0 HFADRO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000793373264 1078152871 /nfs/dbraw/zinc/15/28/71/1078152871.db2.gz JEGIMTVYFDHOGP-SFHVURJKSA-N 1 0 405.539 2.889 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790817434 1078153628 /nfs/dbraw/zinc/15/36/28/1078153628.db2.gz HQTRLFBXNMAWGW-KNQAVFIVSA-N 1 0 408.502 2.793 20 0 HFADRO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000793414102 1078159819 /nfs/dbraw/zinc/15/98/19/1078159819.db2.gz TWVKMQUDXAJQOR-UHFFFAOYSA-N 1 0 415.538 2.871 20 0 HFADRO O=C(Cn1cc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1)NC1CCCCC1 ZINC000747122657 1078177417 /nfs/dbraw/zinc/17/74/17/1078177417.db2.gz DNBPALFJWFGISH-NRFANRHFSA-N 1 0 410.518 2.763 20 0 HFADRO COCC1(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793578232 1078213196 /nfs/dbraw/zinc/21/31/96/1078213196.db2.gz WWMZOTBCQQFHQO-GOSISDBHSA-N 1 0 411.587 2.983 20 0 HFADRO COC(=O)c1ccc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c(Br)c1 ZINC000793587784 1078215968 /nfs/dbraw/zinc/21/59/68/1078215968.db2.gz UJTCLNGMSSPIJE-AEFFLSMTSA-N 1 0 408.292 2.810 20 0 HFADRO C[C@@H](NC(=O)CCN(C)C(=O)OCc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000793570622 1078224841 /nfs/dbraw/zinc/22/48/41/1078224841.db2.gz CNNPWXSLMJLKLW-LJQANCHMSA-N 1 0 417.550 2.795 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000793622589 1078230512 /nfs/dbraw/zinc/23/05/12/1078230512.db2.gz VZMWKYQHMXYONF-RTBURBONSA-N 1 0 419.485 2.708 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000793668667 1078246507 /nfs/dbraw/zinc/24/65/07/1078246507.db2.gz YXCSMJYQGUHORH-VQTJNVASSA-N 1 0 423.561 2.602 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000793679861 1078252102 /nfs/dbraw/zinc/25/21/02/1078252102.db2.gz DZMIFDPRGGRPTB-GOSISDBHSA-N 1 0 405.539 2.928 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000793687802 1078256577 /nfs/dbraw/zinc/25/65/77/1078256577.db2.gz WGINECDZVLRRHP-KSZLIROESA-N 1 0 409.571 2.516 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000793687910 1078256822 /nfs/dbraw/zinc/25/68/22/1078256822.db2.gz ROWQPYDJEXKGPV-SLFFLAALSA-N 1 0 423.557 2.843 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000793687908 1078256895 /nfs/dbraw/zinc/25/68/95/1078256895.db2.gz ROWQPYDJEXKGPV-AWWSKVOZSA-N 1 0 423.557 2.843 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000793727515 1078268187 /nfs/dbraw/zinc/26/81/87/1078268187.db2.gz UEQFASUNHSXSLG-GIVPXCGWSA-N 1 0 401.551 2.603 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000793715386 1078262109 /nfs/dbraw/zinc/26/21/09/1078262109.db2.gz UHTOSNMKNZSBTR-LJQANCHMSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1)[NH+]1CCCCC1 ZINC000793714805 1078262396 /nfs/dbraw/zinc/26/23/96/1078262396.db2.gz TYRIXOIDKONIKD-MRXNPFEDSA-N 1 0 414.481 2.620 20 0 HFADRO COc1ccc(CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C2CC2)cc1 ZINC000793716161 1078262987 /nfs/dbraw/zinc/26/29/87/1078262987.db2.gz XKYOSKOSUNZOFR-ROUUACIJSA-N 1 0 401.551 2.813 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000793719399 1078264131 /nfs/dbraw/zinc/26/41/31/1078264131.db2.gz DQYKGOOKYIHVBI-XJKSGUPXSA-N 1 0 403.420 2.926 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)CCC2 ZINC000793718744 1078264534 /nfs/dbraw/zinc/26/45/34/1078264534.db2.gz KFTLTUKHZRCSPE-MSOLQXFVSA-N 1 0 400.548 2.673 20 0 HFADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1Cn1ncc2cn(C)nc2c1=O ZINC000793726727 1078268534 /nfs/dbraw/zinc/26/85/34/1078268534.db2.gz YJZLGXLDDISFBA-QFIPXVFZSA-N 1 0 422.577 2.753 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ccccc1N1CCCC1 ZINC000793726002 1078267499 /nfs/dbraw/zinc/26/74/99/1078267499.db2.gz LNWHVGLPGRBVAU-UHFFFAOYSA-N 1 0 408.546 2.623 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000793693941 1078270434 /nfs/dbraw/zinc/27/04/34/1078270434.db2.gz AAUAVUQUVDLUIK-AWEZNQCLSA-N 1 0 401.429 2.534 20 0 HFADRO Cc1cccc2nc(C3CCN(C(=O)C(=O)NC[C@H](C)[NH+]4CCCCC4)CC3)oc21 ZINC000793700834 1078273849 /nfs/dbraw/zinc/27/38/49/1078273849.db2.gz PGDDNXFWDYIDPV-KRWDZBQOSA-N 1 0 412.534 2.833 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000793705029 1078276053 /nfs/dbraw/zinc/27/60/53/1078276053.db2.gz BYCJZMKFDHNVSH-NTZUZEMLSA-N 1 0 409.571 2.732 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1)[NH+]1CCCCC1 ZINC000793707755 1078277565 /nfs/dbraw/zinc/27/75/65/1078277565.db2.gz KBJQEZSQHGMHSS-SFHVURJKSA-N 1 0 421.541 2.895 20 0 HFADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000793768315 1078283186 /nfs/dbraw/zinc/28/31/86/1078283186.db2.gz LHEPLAPARKGITB-VFNWGFHPSA-N 1 0 422.932 2.864 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000793737723 1078286028 /nfs/dbraw/zinc/28/60/28/1078286028.db2.gz LIXVZJRVNKBYAR-HXUWFJFHSA-N 1 0 401.551 2.650 20 0 HFADRO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793740835 1078287050 /nfs/dbraw/zinc/28/70/50/1078287050.db2.gz IDNYVRGUJQDDCX-HXUWFJFHSA-N 1 0 421.557 2.723 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000793793536 1078298631 /nfs/dbraw/zinc/29/86/31/1078298631.db2.gz UECQYXVRJWEKRQ-SFHVURJKSA-N 1 0 401.551 2.792 20 0 HFADRO Cc1cccc(OC[C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000793798003 1078301235 /nfs/dbraw/zinc/30/12/35/1078301235.db2.gz HVUOENQAZIAPDE-NLFFAJNJSA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793774900 1078308204 /nfs/dbraw/zinc/30/82/04/1078308204.db2.gz XPUPWEOPIFGWBC-IFMALSPDSA-N 1 0 423.557 2.907 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001170438248 1078312049 /nfs/dbraw/zinc/31/20/49/1078312049.db2.gz QZTDBECJKGXYFL-QEUVDIPISA-N 1 0 400.519 2.838 20 0 HFADRO CS[C@H]1CN(C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000793813440 1078315256 /nfs/dbraw/zinc/31/52/56/1078315256.db2.gz JFUKOXSEYBQCJZ-OALUTQOASA-N 1 0 405.564 2.683 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)([NH+](C)C)C1 ZINC000793812660 1078315445 /nfs/dbraw/zinc/31/54/45/1078315445.db2.gz MDROIYGSEGNOFT-JLGINSKQSA-N 1 0 415.578 2.897 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793832379 1078320595 /nfs/dbraw/zinc/32/05/95/1078320595.db2.gz ZHUWLRWVKIYDIO-XUVXKRRUSA-N 1 0 410.518 2.567 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(c1ncccn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170438815 1078324747 /nfs/dbraw/zinc/32/47/47/1078324747.db2.gz VNTQDEWWEYPUOB-MOPGFXCFSA-N 1 0 410.518 2.944 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)c1 ZINC000793872409 1078329405 /nfs/dbraw/zinc/32/94/05/1078329405.db2.gz ZJQPUPUOGQTWDC-UHFFFAOYSA-N 1 0 423.557 2.701 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)c1 ZINC000793863104 1078327014 /nfs/dbraw/zinc/32/70/14/1078327014.db2.gz BMWCHATXJJGMSK-QFIPXVFZSA-N 1 0 422.573 2.848 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)[C@H](C)C1 ZINC000793874031 1078330518 /nfs/dbraw/zinc/33/05/18/1078330518.db2.gz KKYLQQOVEHQFKM-SELNLUPBSA-N 1 0 412.530 2.603 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H](O)c2ccc(OCc3ccccc3)cc2)[C@@H](C)C1 ZINC000793874033 1078330523 /nfs/dbraw/zinc/33/05/23/1078330523.db2.gz KKYLQQOVEHQFKM-SFYKDHMMSA-N 1 0 412.530 2.603 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C1 ZINC000793874876 1078331200 /nfs/dbraw/zinc/33/12/00/1078331200.db2.gz OUDWQOJGQKXFHX-LNLFQRSKSA-N 1 0 405.539 2.556 20 0 HFADRO C[NH+](C)CCOc1ccc(C=CC(=O)N[C@H](Cc2nnc[nH]2)c2ccccc2)cc1 ZINC000793876626 1078331760 /nfs/dbraw/zinc/33/17/60/1078331760.db2.gz WGCINPLTRFLALT-QYFOZDBKSA-N 1 0 405.502 2.859 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)CCC2 ZINC000793931403 1078341252 /nfs/dbraw/zinc/34/12/52/1078341252.db2.gz OHDUPKZIWJLOKP-LSBZLQRGSA-N 1 0 412.559 2.897 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000793908449 1078334502 /nfs/dbraw/zinc/33/45/02/1078334502.db2.gz IECLCTWABQQLHO-NQIIRXRSSA-N 1 0 415.578 2.585 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000793900105 1078343915 /nfs/dbraw/zinc/34/39/15/1078343915.db2.gz FJDCBQOXHPIVRO-KFWWJZLASA-N 1 0 415.456 2.999 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)ccn1 ZINC000793946425 1078354664 /nfs/dbraw/zinc/35/46/64/1078354664.db2.gz GNJDWGKPTRCKRA-MOPGFXCFSA-N 1 0 418.582 2.607 20 0 HFADRO C[N@H+](CC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[C@H]1CCSC1 ZINC000794047642 1078365482 /nfs/dbraw/zinc/36/54/82/1078365482.db2.gz KSCCIMUAQBYYSA-OALUTQOASA-N 1 0 405.564 2.589 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CN(CC)C(=O)[C@H]2COC)CC1 ZINC001170443337 1078377422 /nfs/dbraw/zinc/37/74/22/1078377422.db2.gz NQTLSXPZWLGVNU-RTBURBONSA-N 1 0 402.535 2.943 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CN(CC)C(=O)[C@H]2COC)CC1 ZINC001170443333 1078377435 /nfs/dbraw/zinc/37/74/35/1078377435.db2.gz NQTLSXPZWLGVNU-RBUKOAKNSA-N 1 0 402.535 2.943 20 0 HFADRO CCn1c(SCC(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)nnc1-c1ccco1 ZINC000794144121 1078377653 /nfs/dbraw/zinc/37/76/53/1078377653.db2.gz MOVGBMXDXUWPRM-HNNXBMFYSA-N 1 0 408.524 2.550 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001170444922 1078395918 /nfs/dbraw/zinc/39/59/18/1078395918.db2.gz VOBDXNNKSBQXAY-RTBURBONSA-N 1 0 400.519 2.697 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000794338970 1078419063 /nfs/dbraw/zinc/41/90/63/1078419063.db2.gz KBTFEDUJPZETSZ-FQEVSTJZSA-N 1 0 422.529 2.915 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(Cc1nn(C)c2c1CC[NH2+]C2)c1ncccn1 ZINC001170446250 1078423377 /nfs/dbraw/zinc/42/33/77/1078423377.db2.gz ZHUAAGBWCLPADG-KRWDZBQOSA-N 1 0 420.517 2.612 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000794383739 1078432752 /nfs/dbraw/zinc/43/27/52/1078432752.db2.gz PMHANTNPYSUJRX-RTBURBONSA-N 1 0 405.539 2.547 20 0 HFADRO CC[N@@H+]1CCN(C(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)[C@H](C)C1 ZINC000804379800 1078455615 /nfs/dbraw/zinc/45/56/15/1078455615.db2.gz BICOKSOQHNPPDF-NISQSXRWSA-N 1 0 408.531 2.952 20 0 HFADRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC001129779618 1078488744 /nfs/dbraw/zinc/48/87/44/1078488744.db2.gz TVEAITMDKPJQTD-GSPCLOLRSA-N 1 0 405.542 2.981 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000804461115 1078501744 /nfs/dbraw/zinc/50/17/44/1078501744.db2.gz ZWCNRYRBHZKCHI-NVGWVTIJSA-N 1 0 417.525 2.918 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)CC1 ZINC001129808323 1078506038 /nfs/dbraw/zinc/50/60/38/1078506038.db2.gz OZKKJCXDNUZTPS-OAHLLOKOSA-N 1 0 416.488 2.866 20 0 HFADRO O=C1[C@H]([N@@H+]2CCC[C@@H](N3CCOCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC001170451831 1078506396 /nfs/dbraw/zinc/50/63/96/1078506396.db2.gz OEXURPKDEHBKMW-IEBWSBKVSA-N 1 0 409.477 2.580 20 0 HFADRO CC(C)(C[NH+]1CCCC1)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC001129808741 1078506975 /nfs/dbraw/zinc/50/69/75/1078506975.db2.gz BVPRSGJOCSIUJI-UHFFFAOYSA-N 1 0 411.344 2.951 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(OC)c(I)n1 ZINC000804442606 1078508759 /nfs/dbraw/zinc/50/87/59/1078508759.db2.gz GRAOODFORSFUIA-UHFFFAOYSA-N 1 0 417.291 2.643 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 ZINC001129802049 1078526609 /nfs/dbraw/zinc/52/66/09/1078526609.db2.gz XLALBZUUIKTHSM-VQTJNVASSA-N 1 0 401.551 2.635 20 0 HFADRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1 ZINC001170451946 1078533462 /nfs/dbraw/zinc/53/34/62/1078533462.db2.gz OSZCXYFHBFTUAX-GOSISDBHSA-N 1 0 400.519 2.916 20 0 HFADRO C[NH+]1CCC(OCC(=O)Nc2c(F)cc(I)cc2F)CC1 ZINC001129856274 1078536443 /nfs/dbraw/zinc/53/64/43/1078536443.db2.gz WIRQHJCVRANVAL-UHFFFAOYSA-N 1 0 410.202 2.619 20 0 HFADRO C[C@H]1NC(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)=NN(c2ccccc2)C1=O ZINC000747192043 1078547692 /nfs/dbraw/zinc/54/76/92/1078547692.db2.gz URZSRLBQQAIQIW-MRXNPFEDSA-N 1 0 423.542 2.512 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000804519183 1078559388 /nfs/dbraw/zinc/55/93/88/1078559388.db2.gz OSILFTAKXZEZDQ-QHCPKHFHSA-N 1 0 408.546 2.728 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000804524577 1078564343 /nfs/dbraw/zinc/56/43/43/1078564343.db2.gz SBJMTDJGXCZGQD-IRXDYDNUSA-N 1 0 420.554 2.618 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000804524576 1078564479 /nfs/dbraw/zinc/56/44/79/1078564479.db2.gz SBJMTDJGXCZGQD-IAGOWNOFSA-N 1 0 420.554 2.618 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC001129871523 1078568469 /nfs/dbraw/zinc/56/84/69/1078568469.db2.gz FCCDOROSYYEWOC-UHFFFAOYSA-N 1 0 405.420 2.731 20 0 HFADRO Cc1ccc(COCC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001129872705 1078569248 /nfs/dbraw/zinc/56/92/48/1078569248.db2.gz NMPBORXIYULZNZ-UHFFFAOYSA-N 1 0 409.530 2.525 20 0 HFADRO O=C(CCNC(=O)OCC(F)(F)F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804533288 1078570118 /nfs/dbraw/zinc/57/01/18/1078570118.db2.gz BRMAOXGEZYUXCK-IBGZPJMESA-N 1 0 413.440 2.790 20 0 HFADRO O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804534187 1078571364 /nfs/dbraw/zinc/57/13/64/1078571364.db2.gz DUKIRANLYKIXMI-PXNSSMCTSA-N 1 0 409.452 2.664 20 0 HFADRO CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000804533670 1078571414 /nfs/dbraw/zinc/57/14/14/1078571414.db2.gz IOQJFNLYJZCOJA-XXBNENTESA-N 1 0 413.518 2.598 20 0 HFADRO CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000804533668 1078572043 /nfs/dbraw/zinc/57/20/43/1078572043.db2.gz IOQJFNLYJZCOJA-WMZHIEFXSA-N 1 0 413.518 2.598 20 0 HFADRO COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001129905749 1078577412 /nfs/dbraw/zinc/57/74/12/1078577412.db2.gz PGOXPCQAYWNXKY-QMHKHESXSA-N 1 0 417.550 2.914 20 0 HFADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc(NC(C)=O)c1OC ZINC001129584531 1078583066 /nfs/dbraw/zinc/58/30/66/1078583066.db2.gz FLDONUOVBDEVBQ-UHFFFAOYSA-N 1 0 405.520 2.928 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000747197404 1078592194 /nfs/dbraw/zinc/59/21/94/1078592194.db2.gz ZWKOBZHDOVFFOV-UHFFFAOYSA-N 1 0 403.552 2.575 20 0 HFADRO CCC1([NH+]2CCCC2)CCN(C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001170466760 1078598037 /nfs/dbraw/zinc/59/80/37/1078598037.db2.gz AKWRTCVATKRVHM-WZONZLPQSA-N 1 0 421.582 2.737 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000804777042 1078603090 /nfs/dbraw/zinc/60/30/90/1078603090.db2.gz NJZIXJPMQUKSQU-HNNXBMFYSA-N 1 0 415.987 2.973 20 0 HFADRO CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761517 1078611096 /nfs/dbraw/zinc/61/10/96/1078611096.db2.gz HLCKNHJVHBYKHG-LJQANCHMSA-N 1 0 410.603 2.652 20 0 HFADRO O=C(/C=C\c1ccc[nH]1)NCCN(CC[NH+]1CCCCC1)C(=O)/C=C\c1ccc[nH]1 ZINC000804590481 1078624535 /nfs/dbraw/zinc/62/45/35/1078624535.db2.gz WSYBMHZOALJNOV-WGEIWTTOSA-N 1 0 409.534 2.500 20 0 HFADRO CC1(C)OC(=O)c2c1ccnc2N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804807246 1078636894 /nfs/dbraw/zinc/63/68/94/1078636894.db2.gz CYJQEYKJDLJORS-LJQANCHMSA-N 1 0 406.530 2.884 20 0 HFADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001129685239 1078648495 /nfs/dbraw/zinc/64/84/95/1078648495.db2.gz RHGUQBKQIJDMPG-GOSISDBHSA-N 1 0 414.550 2.841 20 0 HFADRO NS(=O)(=O)c1ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ncccc12 ZINC000804812120 1078657098 /nfs/dbraw/zinc/65/70/98/1078657098.db2.gz JREHXFDAPJDKKT-QHCPKHFHSA-N 1 0 422.554 2.985 20 0 HFADRO Cc1oc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1CN1C(=O)c2ccccc2C1=O ZINC001129678638 1078666433 /nfs/dbraw/zinc/66/64/33/1078666433.db2.gz DWHWQHGQMYOGFY-KRWDZBQOSA-N 1 0 409.486 2.939 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001129678592 1078666585 /nfs/dbraw/zinc/66/65/85/1078666585.db2.gz CRQDYGIOBBJWNN-HNNXBMFYSA-N 1 0 415.987 2.972 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000804827167 1078666783 /nfs/dbraw/zinc/66/67/83/1078666783.db2.gz LZBBLTOGQWEPDQ-FQEVSTJZSA-N 1 0 416.953 2.831 20 0 HFADRO C[NH+]1CCC(CNC(=O)CCSc2cccc(Cl)c2)(N2CCOCC2)CC1 ZINC001129721860 1078673799 /nfs/dbraw/zinc/67/37/99/1078673799.db2.gz ZATIRBFVBXABEE-UHFFFAOYSA-N 1 0 411.999 2.735 20 0 HFADRO CN(C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)C1CCCCCCC1 ZINC000804626444 1078675964 /nfs/dbraw/zinc/67/59/64/1078675964.db2.gz IBAUKMFHISPSSI-UHFFFAOYSA-N 1 0 403.567 2.857 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)N(C)CCC[N@H+](C)Cc3ccco3)c(=O)[nH]c21 ZINC000804868323 1078692348 /nfs/dbraw/zinc/69/23/48/1078692348.db2.gz CXOZNEGBIFTKHE-HJWRWDBZSA-N 1 0 411.506 2.892 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000804644166 1078698245 /nfs/dbraw/zinc/69/82/45/1078698245.db2.gz YGYVLXWEXUXJKJ-SCWSEQNSSA-N 1 0 410.518 2.816 20 0 HFADRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1S(C)(=O)=O ZINC001129760929 1078704762 /nfs/dbraw/zinc/70/47/62/1078704762.db2.gz RAQBXHGXRPDRBU-QGZVFWFLSA-N 1 0 402.516 2.949 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC001129742652 1078714878 /nfs/dbraw/zinc/71/48/78/1078714878.db2.gz NJLSUUUPKJWOOE-YADHBBJMSA-N 1 0 409.505 2.943 20 0 HFADRO CC[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)c1nc(C)cs1 ZINC000804886549 1078715403 /nfs/dbraw/zinc/71/54/03/1078715403.db2.gz OTYPFEZCLFALNK-GOSISDBHSA-N 1 0 402.564 2.652 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000804637380 1078722030 /nfs/dbraw/zinc/72/20/30/1078722030.db2.gz JKWSVAIRWVXSIL-RTWAWAEBSA-N 1 0 424.501 2.757 20 0 HFADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000804901479 1078756710 /nfs/dbraw/zinc/75/67/10/1078756710.db2.gz HHJDFUAPPWSKBE-WSTZPKSXSA-N 1 0 424.586 2.719 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000804896626 1078752652 /nfs/dbraw/zinc/75/26/52/1078752652.db2.gz SHOQYGYIIYDHDV-IFXJQAMLSA-N 1 0 413.440 2.570 20 0 HFADRO C[C@H]1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804903353 1078758487 /nfs/dbraw/zinc/75/84/87/1078758487.db2.gz KPTIAEWFGUEPIS-JURCDPSOSA-N 1 0 420.501 2.838 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000804902073 1078758512 /nfs/dbraw/zinc/75/85/12/1078758512.db2.gz SNOBJSJFIIRWNO-XQBPLPMBSA-N 1 0 403.567 2.949 20 0 HFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)CC1 ZINC000804943833 1078770181 /nfs/dbraw/zinc/77/01/81/1078770181.db2.gz JDPLDLARLUQEIZ-AVRDEDQJSA-N 1 0 421.541 2.838 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000804944625 1078771873 /nfs/dbraw/zinc/77/18/73/1078771873.db2.gz ZVIKCEGWWDCHOP-QUCCMNQESA-N 1 0 403.523 2.831 20 0 HFADRO COC[C@@]1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000804932415 1078788805 /nfs/dbraw/zinc/78/88/05/1078788805.db2.gz HWQXWFKFVXBMRH-QFIPXVFZSA-N 1 0 424.586 2.576 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000804928427 1078784802 /nfs/dbraw/zinc/78/48/02/1078784802.db2.gz OLUORXZNJSLEQA-NRFANRHFSA-N 1 0 416.566 2.563 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000804975815 1078810779 /nfs/dbraw/zinc/81/07/79/1078810779.db2.gz BAEBUUGOBAEUEI-DEYYWGMASA-N 1 0 407.477 2.880 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000805024226 1078837195 /nfs/dbraw/zinc/83/71/95/1078837195.db2.gz GGNSBNJJAQKISH-UHFFFAOYSA-N 1 0 400.479 2.805 20 0 HFADRO Cc1nc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)c(Br)n1C ZINC000805025714 1078837670 /nfs/dbraw/zinc/83/76/70/1078837670.db2.gz WURJRFHKTUYNJQ-UHFFFAOYSA-N 1 0 419.389 2.566 20 0 HFADRO CC(C)N(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130057684 1078880931 /nfs/dbraw/zinc/88/09/31/1078880931.db2.gz LRJNFOLYYYSVEJ-FYYLOGMGSA-N 1 0 420.557 2.942 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000805098525 1078885531 /nfs/dbraw/zinc/88/55/31/1078885531.db2.gz IAXZSPQVGRNGSA-KDOFPFPSSA-N 1 0 401.429 2.644 20 0 HFADRO CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC1 ZINC000805125820 1078924284 /nfs/dbraw/zinc/92/42/84/1078924284.db2.gz KSOZNEVHGAIGAW-UHFFFAOYSA-N 1 0 415.600 2.668 20 0 HFADRO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2C(F)(F)F)cc1 ZINC000747231751 1078950690 /nfs/dbraw/zinc/95/06/90/1078950690.db2.gz NFLPGFFYSSUZPH-HZPDHXFCSA-N 1 0 408.424 2.793 20 0 HFADRO CS[C@@H]1CC[C@@H](NC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000805159305 1078951425 /nfs/dbraw/zinc/95/14/25/1078951425.db2.gz LKGXTUDPZLPXRH-NJDAHSKKSA-N 1 0 402.608 2.872 20 0 HFADRO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)s2)cc1OC ZINC000747231814 1078951918 /nfs/dbraw/zinc/95/19/18/1078951918.db2.gz OUTBUWOEYYZAJI-HZPDHXFCSA-N 1 0 417.531 2.729 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NC3CC[NH+](CCOC)CC3)CC2)cc1Cl ZINC000805183599 1078965695 /nfs/dbraw/zinc/96/56/95/1078965695.db2.gz DSNXEXSEOKTOLB-UHFFFAOYSA-N 1 0 408.974 2.845 20 0 HFADRO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cnn1-c1ccc(Br)cc1 ZINC000747231432 1078967184 /nfs/dbraw/zinc/96/71/84/1078967184.db2.gz KNFFVISDISQQDT-SJORKVTESA-N 1 0 419.323 2.536 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805199145 1078971335 /nfs/dbraw/zinc/97/13/35/1078971335.db2.gz XIMDYDHHLAJRFG-QHCPKHFHSA-N 1 0 412.534 2.511 20 0 HFADRO Cc1ncc(CCNC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000805220705 1078991530 /nfs/dbraw/zinc/99/15/30/1078991530.db2.gz AWWJCMWYOJHJPD-HXUWFJFHSA-N 1 0 413.591 2.596 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236405 1078994113 /nfs/dbraw/zinc/99/41/13/1078994113.db2.gz MJOWJKAVDVWMLB-OALUTQOASA-N 1 0 406.486 2.506 20 0 HFADRO CN(OCc1ccccc1)C(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000805304666 1078997467 /nfs/dbraw/zinc/99/74/67/1078997467.db2.gz RUXHZXBFMHMOGD-UHFFFAOYSA-N 1 0 417.550 2.507 20 0 HFADRO Cc1cccc(-n2ncc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2C(F)(F)F)c1 ZINC000747235900 1079004505 /nfs/dbraw/zinc/00/45/05/1079004505.db2.gz JDVFDYXMPDKMOA-HZPDHXFCSA-N 1 0 408.424 2.793 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000805277471 1079005989 /nfs/dbraw/zinc/00/59/89/1079005989.db2.gz CVGSHJUBNWCQCS-GOSISDBHSA-N 1 0 404.477 2.673 20 0 HFADRO CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)C1 ZINC001130139008 1079007741 /nfs/dbraw/zinc/00/77/41/1079007741.db2.gz LOSZYXYHRCQACW-CQSZACIVSA-N 1 0 408.568 2.512 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000805285148 1079009469 /nfs/dbraw/zinc/00/94/69/1079009469.db2.gz BUEHBQQWQWIWSO-OAQYLSRUSA-N 1 0 416.566 2.517 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170479798 1079019450 /nfs/dbraw/zinc/01/94/50/1079019450.db2.gz SRAJHEUQSBNXPN-OSYLJGHBSA-N 1 0 403.589 2.568 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000805335512 1079024311 /nfs/dbraw/zinc/02/43/11/1079024311.db2.gz ORVLPMCCHKVXFC-OCCSQVGLSA-N 1 0 424.286 2.638 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000805335964 1079024334 /nfs/dbraw/zinc/02/43/34/1079024334.db2.gz YSPAFSHGOUGDRH-PBHICJAKSA-N 1 0 411.543 2.601 20 0 HFADRO CO[C@@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)c1cnn(C)c1 ZINC001130169800 1079050188 /nfs/dbraw/zinc/05/01/88/1079050188.db2.gz ZYYFVHRAHUWMSV-QGZVFWFLSA-N 1 0 424.343 2.507 20 0 HFADRO COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000805432263 1079061740 /nfs/dbraw/zinc/06/17/40/1079061740.db2.gz UZNFDKROFZRDBM-INIZCTEOSA-N 1 0 404.507 2.531 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000747241176 1079065165 /nfs/dbraw/zinc/06/51/65/1079065165.db2.gz XTGNWQPJWPQFPI-SZRHCGQDSA-N 1 0 414.527 2.988 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000805417720 1079078241 /nfs/dbraw/zinc/07/82/41/1079078241.db2.gz KETQPZWZMZYWNH-NRFANRHFSA-N 1 0 416.566 2.565 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000747246139 1079104038 /nfs/dbraw/zinc/10/40/38/1079104038.db2.gz AXUPSSZMOFYUAH-GASCZTMLSA-N 1 0 400.516 2.649 20 0 HFADRO CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[nH]1 ZINC001130225162 1079107829 /nfs/dbraw/zinc/10/78/29/1079107829.db2.gz VUGBBUSXQFWATB-FKSLSLAPSA-N 1 0 403.571 2.900 20 0 HFADRO CON(CC1CCOCC1)C(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000805646833 1079200253 /nfs/dbraw/zinc/20/02/53/1079200253.db2.gz DLIAHWNRKHHUMV-SFHVURJKSA-N 1 0 417.550 2.583 20 0 HFADRO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001130300642 1079192111 /nfs/dbraw/zinc/19/21/11/1079192111.db2.gz BXHITWYTXGNIGR-RTBURBONSA-N 1 0 407.580 2.819 20 0 HFADRO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001130301073 1079192222 /nfs/dbraw/zinc/19/22/22/1079192222.db2.gz GRKVOPXWNNUGBA-MOPGFXCFSA-N 1 0 415.563 2.810 20 0 HFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001130302215 1079194193 /nfs/dbraw/zinc/19/41/93/1079194193.db2.gz YFJIGPRLFHXZRR-PMACEKPBSA-N 1 0 405.489 2.950 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)CC1 ZINC000805658042 1079206492 /nfs/dbraw/zinc/20/64/92/1079206492.db2.gz QNGXMNJNRQQCBH-UHFFFAOYSA-N 1 0 416.909 2.943 20 0 HFADRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260259 1079212424 /nfs/dbraw/zinc/21/24/24/1079212424.db2.gz CXQBVLYQVMUDDE-NSHDSACASA-N 1 0 409.335 2.790 20 0 HFADRO C[C@H](OC(=O)C[C@H](O)CC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000805726017 1079237744 /nfs/dbraw/zinc/23/77/44/1079237744.db2.gz IYHSNKOPCMYLGP-PXNSSMCTSA-N 1 0 404.551 2.886 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805792893 1079257912 /nfs/dbraw/zinc/25/79/12/1079257912.db2.gz IFTRIIVKPQYZIL-HSZRJFAPSA-N 1 0 422.614 2.698 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793412 1079258285 /nfs/dbraw/zinc/25/82/85/1079258285.db2.gz YSUBZTKGJFNZLP-VQTJNVASSA-N 1 0 417.550 2.901 20 0 HFADRO CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000805768202 1079270514 /nfs/dbraw/zinc/27/05/14/1079270514.db2.gz UNAAQZMIPWHNJI-UGKGYDQZSA-N 1 0 409.578 2.974 20 0 HFADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000805832920 1079273389 /nfs/dbraw/zinc/27/33/89/1079273389.db2.gz NJHBDJVNYYWAPI-BGARDKSCSA-N 1 0 408.520 2.643 20 0 HFADRO COc1ccc([C@H](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)NC(C)=O)cc1 ZINC000021487868 1079274369 /nfs/dbraw/zinc/27/43/69/1079274369.db2.gz FJRXRFDLCPYQLU-QFIPXVFZSA-N 1 0 424.545 2.961 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000805763795 1079266086 /nfs/dbraw/zinc/26/60/86/1079266086.db2.gz PMKZWJMKJNBOQS-SJORKVTESA-N 1 0 422.522 2.924 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000805765668 1079266115 /nfs/dbraw/zinc/26/61/15/1079266115.db2.gz OBYXJONASRLXGY-GBESFXJTSA-N 1 0 409.571 2.926 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805766878 1079269853 /nfs/dbraw/zinc/26/98/53/1079269853.db2.gz CWPHZWPOIRWWQY-WEMPKCCASA-N 1 0 400.567 2.797 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CC2)cc1 ZINC000805816494 1079289079 /nfs/dbraw/zinc/28/90/79/1079289079.db2.gz CJAUZCMBQAAPNP-UHFFFAOYSA-N 1 0 414.594 2.806 20 0 HFADRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805822704 1079292846 /nfs/dbraw/zinc/29/28/46/1079292846.db2.gz VZCIURBLNOCVME-SFHVURJKSA-N 1 0 405.882 2.848 20 0 HFADRO O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805872449 1079314207 /nfs/dbraw/zinc/31/42/07/1079314207.db2.gz QFPRMPWBJNSECY-UHFFFAOYSA-N 1 0 421.497 2.948 20 0 HFADRO O=C(C1CC[NH+](C2CC2)CC1)N(c1cccc(O)c1)S(=O)(=O)c1ccccc1 ZINC000805887022 1079339312 /nfs/dbraw/zinc/33/93/12/1079339312.db2.gz PSPLUAAEFVUYJH-UHFFFAOYSA-N 1 0 400.500 2.989 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)CCCCCNC(=O)NC2CCCCC2)C(C)(C)C1 ZINC001130420822 1079340150 /nfs/dbraw/zinc/34/01/50/1079340150.db2.gz IJULNQPPADLHIP-UHFFFAOYSA-N 1 0 410.603 2.748 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Cl)cc1Cl ZINC000747276274 1079340178 /nfs/dbraw/zinc/34/01/78/1079340178.db2.gz FGTONUNPJVAWRM-QMTHXVAHSA-N 1 0 409.335 2.741 20 0 HFADRO CC(C)(C)OC(=O)N1C[C@H](OC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000805947098 1079348187 /nfs/dbraw/zinc/34/81/87/1079348187.db2.gz GYTBHAWOVYQZLE-GOSISDBHSA-N 1 0 402.491 2.978 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000747281527 1079353139 /nfs/dbraw/zinc/35/31/39/1079353139.db2.gz KRCOMQOPCOOTJU-QGZVFWFLSA-N 1 0 420.506 2.755 20 0 HFADRO C[C@H](OCC(=O)OC[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1)c1nccn1C ZINC000805923763 1079353588 /nfs/dbraw/zinc/35/35/88/1079353588.db2.gz PRFNAIFXYHMPGS-PKOBYXMFSA-N 1 0 401.507 2.721 20 0 HFADRO CON(Cc1ccccc1)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000805971156 1079380748 /nfs/dbraw/zinc/38/07/48/1079380748.db2.gz NHAXUGVKLIBRMO-FRIKZZABSA-N 1 0 407.514 2.888 20 0 HFADRO C[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001130458276 1079381605 /nfs/dbraw/zinc/38/16/05/1079381605.db2.gz KBRKYVWBKXSASK-VAMGGRTRSA-N 1 0 421.607 2.702 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cncc(Br)n3)cc2)CC1 ZINC001170494177 1079384993 /nfs/dbraw/zinc/38/49/93/1079384993.db2.gz VLLIEENLTFRIJJ-IYXRBSQSSA-N 1 0 404.312 2.611 20 0 HFADRO COC(=O)COc1ccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cc1 ZINC001170496140 1079395704 /nfs/dbraw/zinc/39/57/04/1079395704.db2.gz MCQLPLBEPQIURC-WWDZGPRUSA-N 1 0 411.502 2.610 20 0 HFADRO CC[C@@H]1C[C@@H](N([C@@H]2CCC[NH2+]C2)S(C)(=O)=O)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170495858 1079391330 /nfs/dbraw/zinc/39/13/30/1079391330.db2.gz DJMPSGXFCNKTSI-XMTFNYHQSA-N 1 0 417.616 2.957 20 0 HFADRO Cn1ncc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000806000899 1079396923 /nfs/dbraw/zinc/39/69/23/1079396923.db2.gz KUROCOYOFGZRRZ-WMLDXEAASA-N 1 0 410.444 2.716 20 0 HFADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000806041985 1079410827 /nfs/dbraw/zinc/41/08/27/1079410827.db2.gz MPGLJZKSZZWDNN-UEVCKROQSA-N 1 0 423.557 2.656 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1=O ZINC001130496488 1079433585 /nfs/dbraw/zinc/43/35/85/1079433585.db2.gz CZWWWAAYEQNYEO-UHFFFAOYSA-N 1 0 415.921 2.765 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2)CC1 ZINC001130542490 1079462878 /nfs/dbraw/zinc/46/28/78/1079462878.db2.gz WRVMYMLBACRJBY-UHFFFAOYSA-N 1 0 411.502 2.613 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cccn(-c4cccnc4)c3=O)cc2)CC1 ZINC001170500337 1079475383 /nfs/dbraw/zinc/47/53/83/1079475383.db2.gz NZFKGSXPKMHYRC-LMDPOFIKSA-N 1 0 417.513 2.604 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000806167987 1079475863 /nfs/dbraw/zinc/47/58/63/1079475863.db2.gz QCFDDQSUFBZIPF-PLACYPQZSA-N 1 0 404.551 2.984 20 0 HFADRO CN(CCc1ccccc1F)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000806207943 1079493419 /nfs/dbraw/zinc/49/34/19/1079493419.db2.gz ZGDAHKNPZHAJTN-UHFFFAOYSA-N 1 0 421.582 2.695 20 0 HFADRO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000787335858 1076747053 /nfs/dbraw/zinc/74/70/53/1076747053.db2.gz VWOARKMIXJMFFG-RCCFBDPRSA-N 1 0 424.586 2.669 20 0 HFADRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000746676202 1076750398 /nfs/dbraw/zinc/75/03/98/1076750398.db2.gz IEOYNXSHOABBAV-IEBWSBKVSA-N 1 0 412.534 2.616 20 0 HFADRO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787313485 1076758971 /nfs/dbraw/zinc/75/89/71/1076758971.db2.gz ZLWZLEWABJBILU-PMACEKPBSA-N 1 0 421.900 2.579 20 0 HFADRO C[N@H+](CCNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1CCCC1 ZINC000787322590 1076765817 /nfs/dbraw/zinc/76/58/17/1076765817.db2.gz HMTUVRGWAHINSI-OAHLLOKOSA-N 1 0 405.543 2.738 20 0 HFADRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000787346385 1076788705 /nfs/dbraw/zinc/78/87/05/1076788705.db2.gz TWZAACQJLVYBBX-LBPRGKRZSA-N 1 0 413.337 2.998 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](Cc4cnn(C)c4)C3)cc2)C[C@H](C)O1 ZINC000746679117 1076795332 /nfs/dbraw/zinc/79/53/32/1076795332.db2.gz OAVCRJANBZCFNQ-OTWHNJEPSA-N 1 0 411.550 2.537 20 0 HFADRO O=C(c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O)N1CC[NH+]2CCC1CC2 ZINC000787523380 1076847030 /nfs/dbraw/zinc/84/70/30/1076847030.db2.gz NOUFARYSIIFKSK-UHFFFAOYSA-N 1 0 424.501 2.734 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)n2)CC1 ZINC000787558197 1076859669 /nfs/dbraw/zinc/85/96/69/1076859669.db2.gz TWYOUOOFPOOHPZ-UHFFFAOYSA-N 1 0 410.522 2.717 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787560270 1076864354 /nfs/dbraw/zinc/86/43/54/1076864354.db2.gz MCZIAFWILOPXOW-NRFANRHFSA-N 1 0 400.567 2.767 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCC3CC[NH+](C4CC4)CC3)[nH]n2)C1 ZINC000787586358 1076874112 /nfs/dbraw/zinc/87/41/12/1076874112.db2.gz NAIQLMFAXBWPOM-INIZCTEOSA-N 1 0 417.554 2.738 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)cc2Cl)CC1 ZINC000787621557 1076881865 /nfs/dbraw/zinc/88/18/65/1076881865.db2.gz HUKPDWITBVJRHA-MNZLEMJZSA-N 1 0 404.942 2.725 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)Cc1ccccc1 ZINC000787624227 1076882184 /nfs/dbraw/zinc/88/21/84/1076882184.db2.gz DEGZYCYCZHCEKC-IBGZPJMESA-N 1 0 416.953 2.763 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)CCC2 ZINC000787642399 1076893311 /nfs/dbraw/zinc/89/33/11/1076893311.db2.gz WOERHEIMJSTTRL-SJORKVTESA-N 1 0 404.511 2.503 20 0 HFADRO CC1(C)Cc2c(cccc2N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)NC1=O ZINC001170075962 1076902358 /nfs/dbraw/zinc/90/23/58/1076902358.db2.gz OPOZCRXMASJOBF-UHFFFAOYSA-N 1 0 424.526 2.910 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000787671573 1076906577 /nfs/dbraw/zinc/90/65/77/1076906577.db2.gz LYRWWMHIINYPQF-ROUUACIJSA-N 1 0 409.571 2.735 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1)C1CCCCC1 ZINC000787686779 1076911850 /nfs/dbraw/zinc/91/18/50/1076911850.db2.gz GNHMMIJOACHCDC-UHFFFAOYSA-N 1 0 415.578 2.704 20 0 HFADRO Cc1cccc(C[NH+]2CCN([C@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)c1 ZINC000787688975 1076912533 /nfs/dbraw/zinc/91/25/33/1076912533.db2.gz QIWZGZICMFFWQV-NZQKXSOJSA-N 1 0 403.567 2.873 20 0 HFADRO C[C@@H]([NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000787688674 1076912847 /nfs/dbraw/zinc/91/28/47/1076912847.db2.gz KQQXQAZPVCJYND-KDOFPFPSSA-N 1 0 422.513 2.550 20 0 HFADRO C[C@H]([NH2+]C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000787688673 1076912851 /nfs/dbraw/zinc/91/28/51/1076912851.db2.gz KQQXQAZPVCJYND-KBXCAEBGSA-N 1 0 422.513 2.550 20 0 HFADRO CN1CC[C@@H]([NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]1c1ccccc1 ZINC000787689542 1076913383 /nfs/dbraw/zinc/91/33/83/1076913383.db2.gz LKNOSDROOLGINY-UZLBHIALSA-N 1 0 412.559 2.699 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000787707292 1076919799 /nfs/dbraw/zinc/91/97/99/1076919799.db2.gz DAXQXGUJBIKJEE-IBGZPJMESA-N 1 0 412.559 2.510 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([N@@H+]2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000787710558 1076922221 /nfs/dbraw/zinc/92/22/21/1076922221.db2.gz LWOXMIFQLIVFJD-DYESRHJHSA-N 1 0 423.579 2.656 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752530 1076926863 /nfs/dbraw/zinc/92/68/63/1076926863.db2.gz VPBFAUWFIYKNMY-PKTZIBPZSA-N 1 0 423.557 2.830 20 0 HFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000787753392 1076927395 /nfs/dbraw/zinc/92/73/95/1076927395.db2.gz YLMPEWKVXXLYJI-KBPBESRZSA-N 1 0 401.429 2.753 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@]2(O)CCCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000787767034 1076941071 /nfs/dbraw/zinc/94/10/71/1076941071.db2.gz YLSBNCYFIVHYPA-YDHSSHFGSA-N 1 0 418.534 2.741 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000787768049 1076941325 /nfs/dbraw/zinc/94/13/25/1076941325.db2.gz XTOZYUUUHUIHIF-WWMYMODYSA-N 1 0 410.486 2.564 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 ZINC000787772142 1076942130 /nfs/dbraw/zinc/94/21/30/1076942130.db2.gz YGBLVKUERDCXOJ-XMSQKQJNSA-N 1 0 409.571 2.737 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000787877649 1076971896 /nfs/dbraw/zinc/97/18/96/1076971896.db2.gz QPRPJPXBKAINNB-UHFFFAOYSA-N 1 0 400.910 2.805 20 0 HFADRO CCOC(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000787881458 1076975186 /nfs/dbraw/zinc/97/51/86/1076975186.db2.gz HJNWLYOKBPJLDF-UHFFFAOYSA-N 1 0 418.538 2.546 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000787884303 1076976739 /nfs/dbraw/zinc/97/67/39/1076976739.db2.gz UISMSGRWPXWAMJ-SFHVURJKSA-N 1 0 418.538 2.593 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000787907967 1076990449 /nfs/dbraw/zinc/99/04/49/1076990449.db2.gz BVIJYBFRDONGDN-OALUTQOASA-N 1 0 402.583 2.633 20 0 HFADRO O=C(Nc1ccc(N2CCc3sccc3C2)cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000787920138 1076997208 /nfs/dbraw/zinc/99/72/08/1076997208.db2.gz VJHLEEMEUPTDSL-UHFFFAOYSA-N 1 0 410.543 2.556 20 0 HFADRO CCN1CC[NH+](CCCCNC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000746712359 1077003642 /nfs/dbraw/zinc/00/36/42/1077003642.db2.gz JTYWBYLUKPINKD-UHFFFAOYSA-N 1 0 402.461 2.854 20 0 HFADRO C[C@@H](Cc1ccccc1F)NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787975338 1077014996 /nfs/dbraw/zinc/01/49/96/1077014996.db2.gz PEDILXADKRBWLH-UUOWRZLLSA-N 1 0 411.521 2.901 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000787944277 1077019692 /nfs/dbraw/zinc/01/96/92/1077019692.db2.gz YVRFADXVFCBBAG-CXAGYDPISA-N 1 0 411.424 2.765 20 0 HFADRO CC(C)OCc1ccccc1CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000787993772 1077021186 /nfs/dbraw/zinc/02/11/86/1077021186.db2.gz XKQGMPRGSDKIEX-UHFFFAOYSA-N 1 0 411.546 2.948 20 0 HFADRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787994201 1077021645 /nfs/dbraw/zinc/02/16/45/1077021645.db2.gz ACCRGWOXMXQZKP-USXIJHARSA-N 1 0 414.474 2.559 20 0 HFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@H](C)C1 ZINC000788038228 1077036538 /nfs/dbraw/zinc/03/65/38/1077036538.db2.gz YXRUOKHHJDYDIH-HUUCEWRRSA-N 1 0 412.987 2.812 20 0 HFADRO CN(CN1C(=O)C(=O)c2c1ccc(Br)c2Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000788045082 1077039693 /nfs/dbraw/zinc/03/96/93/1077039693.db2.gz AVWLMMXSOGGMAE-NSHDSACASA-N 1 0 412.715 2.758 20 0 HFADRO C[C@]1(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000788070103 1077051920 /nfs/dbraw/zinc/05/19/20/1077051920.db2.gz IHSXJUFJBWGSLB-JPYJTQIMSA-N 1 0 423.517 2.513 20 0 HFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000746725649 1077055925 /nfs/dbraw/zinc/05/59/25/1077055925.db2.gz ZRTPRUKEGGDEGU-HNNXBMFYSA-N 1 0 422.327 2.867 20 0 HFADRO C[C@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2ccccc21 ZINC000788137809 1077062677 /nfs/dbraw/zinc/06/26/77/1077062677.db2.gz NQRDZEMQTAARMF-DXIQSLLYSA-N 1 0 421.541 2.760 20 0 HFADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CC1CCC2(CC1)OCCO2 ZINC000788183008 1077068214 /nfs/dbraw/zinc/06/82/14/1077068214.db2.gz CBJPSLVERCAIGT-LJQANCHMSA-N 1 0 410.555 2.576 20 0 HFADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CC1CCC2(CC1)OCCO2 ZINC000788183005 1077068243 /nfs/dbraw/zinc/06/82/43/1077068243.db2.gz CBJPSLVERCAIGT-IBGZPJMESA-N 1 0 410.555 2.576 20 0 HFADRO COc1sc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1Br ZINC000746730689 1077070697 /nfs/dbraw/zinc/07/06/97/1077070697.db2.gz LEMPCXQJDUODDA-GFCCVEGCSA-N 1 0 414.247 2.792 20 0 HFADRO CN(C(=O)CC1CCC2(CC1)OCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000788194403 1077075764 /nfs/dbraw/zinc/07/57/64/1077075764.db2.gz YQOFHRWQYPCOBL-UHFFFAOYSA-N 1 0 401.551 2.870 20 0 HFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)C1 ZINC000788207162 1077079631 /nfs/dbraw/zinc/07/96/31/1077079631.db2.gz FGMRYPRFQDPTQD-QPPBQGQZSA-N 1 0 408.498 2.670 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc(Br)c(OC)c2)[C@H](C)C1 ZINC000788222038 1077082637 /nfs/dbraw/zinc/08/26/37/1077082637.db2.gz HIRKKHDGICVCMM-HIFRSBDPSA-N 1 0 414.344 2.720 20 0 HFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788247760 1077086372 /nfs/dbraw/zinc/08/63/72/1077086372.db2.gz IPRUIOHYVQCWBU-QRVBRYPASA-N 1 0 410.603 2.745 20 0 HFADRO COc1ccc([C@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000788262953 1077088589 /nfs/dbraw/zinc/08/85/89/1077088589.db2.gz JAZYMKHBOJJPDN-PXNSSMCTSA-N 1 0 424.549 2.915 20 0 HFADRO Cc1sc(Br)nc1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000788282053 1077097010 /nfs/dbraw/zinc/09/70/10/1077097010.db2.gz OGISLLWOYHDPAJ-UHFFFAOYSA-N 1 0 423.380 2.891 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)[NH+]1CCCCC1 ZINC000788286860 1077098214 /nfs/dbraw/zinc/09/82/14/1077098214.db2.gz CPJQEVXINJAUEB-PKOBYXMFSA-N 1 0 424.549 2.915 20 0 HFADRO O=C(NCc1ccc(-n2cccn2)cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000788378436 1077135072 /nfs/dbraw/zinc/13/50/72/1077135072.db2.gz FSQFUUJTEOFSQV-UHFFFAOYSA-N 1 0 423.561 2.649 20 0 HFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)C1 ZINC001626111931 1077136416 /nfs/dbraw/zinc/13/64/16/1077136416.db2.gz SWXBEXAJVAACGW-JKSUJKDBSA-N 1 0 405.543 2.704 20 0 HFADRO CC1(C(=O)OCCc2ccc(S(N)(=O)=O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000772719118 1077139285 /nfs/dbraw/zinc/13/92/85/1077139285.db2.gz OINOWFWFKDSIFL-UHFFFAOYSA-N 1 0 416.543 2.722 20 0 HFADRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788459618 1077166364 /nfs/dbraw/zinc/16/63/64/1077166364.db2.gz BKSGYFRUCHXUIJ-GOSISDBHSA-N 1 0 401.507 2.908 20 0 HFADRO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C2=O ZINC000788464559 1077168714 /nfs/dbraw/zinc/16/87/14/1077168714.db2.gz NIHSHPCQFXOBCZ-VROYJQPTSA-N 1 0 412.534 2.519 20 0 HFADRO C[NH+]1CCC(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000788473892 1077171371 /nfs/dbraw/zinc/17/13/71/1077171371.db2.gz BJQBDTCIJNYUOF-UHFFFAOYSA-N 1 0 406.379 2.642 20 0 HFADRO C[C@H](CS(C)(=O)=O)[N@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000788480462 1077174639 /nfs/dbraw/zinc/17/46/39/1077174639.db2.gz JZAUONSVKZFRDC-QGZVFWFLSA-N 1 0 408.564 2.933 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)c2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788505547 1077185510 /nfs/dbraw/zinc/18/55/10/1077185510.db2.gz HPQZLYCEYIKFGU-CVEARBPZSA-N 1 0 410.511 2.872 20 0 HFADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCSC(F)(F)F ZINC000788541520 1077194703 /nfs/dbraw/zinc/19/47/03/1077194703.db2.gz DSNOCDIREYMBLC-HNNXBMFYSA-N 1 0 417.497 2.773 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788564583 1077200529 /nfs/dbraw/zinc/20/05/29/1077200529.db2.gz SRLRRRDEGXLZLO-KBAYOESNSA-N 1 0 409.452 2.764 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccc(OC)cc2OC)CCN1C(=O)OC(C)(C)C ZINC000788557954 1077200606 /nfs/dbraw/zinc/20/06/06/1077200606.db2.gz RUPCXGSBHNLSLU-WMZOPIPTSA-N 1 0 408.495 2.735 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000788561476 1077201800 /nfs/dbraw/zinc/20/18/00/1077201800.db2.gz DBZPIUISMSPXAJ-DBXWQHBBSA-N 1 0 413.628 2.820 20 0 HFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)NCCSC(F)(F)F ZINC000788529917 1077203908 /nfs/dbraw/zinc/20/39/08/1077203908.db2.gz VUINSOMJPLSFDC-KBPBESRZSA-N 1 0 417.497 2.628 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCc2ccc(OC)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788586534 1077213442 /nfs/dbraw/zinc/21/34/42/1077213442.db2.gz CWCKLEANGJQDGJ-WMZOPIPTSA-N 1 0 410.486 2.908 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000788611919 1077220482 /nfs/dbraw/zinc/22/04/82/1077220482.db2.gz SPSVVMKOHFRVFM-HIFRSBDPSA-N 1 0 414.344 2.988 20 0 HFADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788607077 1077221622 /nfs/dbraw/zinc/22/16/22/1077221622.db2.gz CNBMGJXCSFHFPH-LIRRHRJNSA-N 1 0 400.523 2.670 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)c1Cl ZINC000788651609 1077226777 /nfs/dbraw/zinc/22/67/77/1077226777.db2.gz JLJVVBZELOBGNM-RYUDHWBXSA-N 1 0 406.957 2.601 20 0 HFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000788618976 1077230557 /nfs/dbraw/zinc/23/05/57/1077230557.db2.gz CDWKLJMNZGTBDL-HSQYWUDLSA-N 1 0 404.551 2.915 20 0 HFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000788618837 1077230582 /nfs/dbraw/zinc/23/05/82/1077230582.db2.gz BJIFCERMGFIHPG-PMACEKPBSA-N 1 0 420.579 2.527 20 0 HFADRO COc1cccc([C@@H](O)CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000790923828 1077233450 /nfs/dbraw/zinc/23/34/50/1077233450.db2.gz ZNDNHDCCZAGURG-QFIPXVFZSA-N 1 0 413.518 2.701 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000790926770 1077235530 /nfs/dbraw/zinc/23/55/30/1077235530.db2.gz SGLLEVUUKFZCMR-NRFANRHFSA-N 1 0 414.594 2.941 20 0 HFADRO Cn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000790928435 1077235861 /nfs/dbraw/zinc/23/58/61/1077235861.db2.gz WPQQAOPRAVTEOS-LJQANCHMSA-N 1 0 411.550 2.982 20 0 HFADRO CC(C)(CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000790935007 1077239771 /nfs/dbraw/zinc/23/97/71/1077239771.db2.gz BTDMGUVUEANFIN-UHFFFAOYSA-N 1 0 407.458 2.588 20 0 HFADRO CC(C)(CNS(=O)(=O)c1cc(Br)cnc1Cl)C[NH+]1CCCC1 ZINC000790934998 1077239868 /nfs/dbraw/zinc/23/98/68/1077239868.db2.gz BCHJEAUQTKPTHR-UHFFFAOYSA-N 1 0 410.765 2.898 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@H](C)C1 ZINC000788634460 1077239894 /nfs/dbraw/zinc/23/98/94/1077239894.db2.gz JYRVIDDYPJQETN-ZYHUDNBSSA-N 1 0 408.973 2.847 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000788638428 1077241474 /nfs/dbraw/zinc/24/14/74/1077241474.db2.gz GQEUKNYWODMJSV-INIZCTEOSA-N 1 0 401.511 2.502 20 0 HFADRO Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)C2=O)cc1 ZINC000788636567 1077241552 /nfs/dbraw/zinc/24/15/52/1077241552.db2.gz QTKXSASLWPVBTC-FQEVSTJZSA-N 1 0 401.532 2.531 20 0 HFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](O)c1c(F)cccc1Cl ZINC000788637695 1077242256 /nfs/dbraw/zinc/24/22/56/1077242256.db2.gz HQJNQNSEIUHIFM-KZULUSFZSA-N 1 0 400.903 2.941 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788676418 1077245969 /nfs/dbraw/zinc/24/59/69/1077245969.db2.gz UCYLRUNVHDCVNP-CRAIPNDOSA-N 1 0 411.568 2.672 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788675700 1077246351 /nfs/dbraw/zinc/24/63/51/1077246351.db2.gz HOUPRFGDQXPVSI-KRWDZBQOSA-N 1 0 411.568 2.816 20 0 HFADRO COc1cccc([C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)[NH+](C)C)c1 ZINC000788687013 1077250896 /nfs/dbraw/zinc/25/08/96/1077250896.db2.gz CRAPNJCBMDHYOC-FGZHOGPDSA-N 1 0 424.545 2.740 20 0 HFADRO CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788688650 1077251494 /nfs/dbraw/zinc/25/14/94/1077251494.db2.gz CVAKHLMABUXAFZ-JOCHJYFZSA-N 1 0 408.546 2.951 20 0 HFADRO Cc1ccc(NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1NC(=O)CC[NH+](C)C ZINC000790955840 1077253975 /nfs/dbraw/zinc/25/39/75/1077253975.db2.gz NWTSETSGGYKIHI-UHFFFAOYSA-N 1 0 421.494 2.680 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2cccc3c[nH]nc32)CC1 ZINC000746953498 1077255413 /nfs/dbraw/zinc/25/54/13/1077255413.db2.gz XNFIYBMBIYHHRI-UHFFFAOYSA-N 1 0 406.486 2.763 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000788671436 1077262172 /nfs/dbraw/zinc/26/21/72/1077262172.db2.gz JZOUYMDTYSALEU-UHFFFAOYSA-N 1 0 410.486 2.699 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccccc2-n2cccn2)CCN1C(=O)OC(C)(C)C ZINC000788671710 1077262489 /nfs/dbraw/zinc/26/24/89/1077262489.db2.gz NHSOYQRHDFXHKA-MJGOQNOKSA-N 1 0 414.506 2.903 20 0 HFADRO CCOc1nc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)ncc1OC ZINC001170147172 1077264373 /nfs/dbraw/zinc/26/43/73/1077264373.db2.gz UWQZRJAMSVKPFT-UHFFFAOYSA-N 1 0 407.478 2.793 20 0 HFADRO COC(=O)COc1c(C)cc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000791007591 1077266113 /nfs/dbraw/zinc/26/61/13/1077266113.db2.gz KQPWDMOKRRXPFK-FQEVSTJZSA-N 1 0 414.477 2.885 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000790973014 1077267920 /nfs/dbraw/zinc/26/79/20/1077267920.db2.gz DNGFJYNSHDNWIW-KRWDZBQOSA-N 1 0 403.914 2.701 20 0 HFADRO CCN(C)c1ccc(C[NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 ZINC000790982176 1077269350 /nfs/dbraw/zinc/26/93/50/1077269350.db2.gz RFXOEHMVBVRDNN-UHFFFAOYSA-N 1 0 417.453 3.000 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F ZINC000788719173 1077270526 /nfs/dbraw/zinc/27/05/26/1077270526.db2.gz PDEQWTLECQRPBD-GLJUWKHASA-N 1 0 420.476 2.795 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000788719174 1077270536 /nfs/dbraw/zinc/27/05/36/1077270536.db2.gz PDEQWTLECQRPBD-HBUWYVDXSA-N 1 0 420.476 2.795 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3nc(Cl)nc4nccnc43)nc3ccc(C)cc3n12 ZINC001170147485 1077274647 /nfs/dbraw/zinc/27/46/47/1077274647.db2.gz ZQWNMDVANAILPV-UHFFFAOYSA-N 1 0 419.880 2.983 20 0 HFADRO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788753100 1077277021 /nfs/dbraw/zinc/27/70/21/1077277021.db2.gz GVMFSQZAAPWERD-SFHVURJKSA-N 1 0 403.523 2.500 20 0 HFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000791036543 1077278383 /nfs/dbraw/zinc/27/83/83/1077278383.db2.gz OKPUWZCZZWTZHL-GOSISDBHSA-N 1 0 409.571 2.594 20 0 HFADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788762435 1077279751 /nfs/dbraw/zinc/27/97/51/1077279751.db2.gz SCUFBVSLHKRMSR-KRWDZBQOSA-N 1 0 405.514 2.973 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000746761831 1077284931 /nfs/dbraw/zinc/28/49/31/1077284931.db2.gz ORIKLZAUFFFHTR-UHFFFAOYSA-N 1 0 412.575 2.528 20 0 HFADRO O=C(c1nc(Cl)cs1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000788745404 1077287784 /nfs/dbraw/zinc/28/77/84/1077287784.db2.gz FMZXIEAGLJWKLX-HNNXBMFYSA-N 1 0 405.955 2.866 20 0 HFADRO CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788748525 1077288702 /nfs/dbraw/zinc/28/87/02/1077288702.db2.gz UJWYWUHCHFJZGQ-VXKWHMMOSA-N 1 0 408.546 2.602 20 0 HFADRO CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788748712 1077289530 /nfs/dbraw/zinc/28/95/30/1077289530.db2.gz YWWKJEPVCCOLDE-RTWAWAEBSA-N 1 0 412.509 2.871 20 0 HFADRO CC(C)(NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777630 1077298754 /nfs/dbraw/zinc/29/87/54/1077298754.db2.gz KWJZDYZESQBGSI-GDBMZVCRSA-N 1 0 401.429 2.983 20 0 HFADRO Cc1cc(C)n(Cc2cccc(C(=O)O[C@H]3CCCN(c4cc[nH+]c(N)n4)C3)c2)n1 ZINC000791109630 1077300723 /nfs/dbraw/zinc/30/07/23/1077300723.db2.gz SYSARTHWLGZTTP-IBGZPJMESA-N 1 0 406.490 2.746 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000746765199 1077301760 /nfs/dbraw/zinc/30/17/60/1077301760.db2.gz GJIDPNLGXHISMD-MSOLQXFVSA-N 1 0 412.575 2.528 20 0 HFADRO C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788816485 1077306585 /nfs/dbraw/zinc/30/65/85/1077306585.db2.gz OUVBMXWBNWKVNV-LJQANCHMSA-N 1 0 417.550 2.890 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788814716 1077306609 /nfs/dbraw/zinc/30/66/09/1077306609.db2.gz UDYNBDKOSHBWPT-LEWJYISDSA-N 1 0 400.567 2.797 20 0 HFADRO C[NH+](C)CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C1CC1 ZINC000791145797 1077307300 /nfs/dbraw/zinc/30/73/00/1077307300.db2.gz LUKXRZDIUNWWCQ-UHFFFAOYSA-N 1 0 413.971 2.681 20 0 HFADRO C[C@@H]([NH2+]C[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000788820283 1077308159 /nfs/dbraw/zinc/30/81/59/1077308159.db2.gz UIGQIMWLSUJVOM-UKRRQHHQSA-N 1 0 418.460 2.921 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000788822227 1077308970 /nfs/dbraw/zinc/30/89/70/1077308970.db2.gz KJEUUJKJGXKNSW-DZZUKKPASA-N 1 0 418.335 2.809 20 0 HFADRO CN(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746768291 1077313896 /nfs/dbraw/zinc/31/38/96/1077313896.db2.gz CENJBCOSMKMLCF-QGZVFWFLSA-N 1 0 424.586 2.528 20 0 HFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000788846107 1077318343 /nfs/dbraw/zinc/31/83/43/1077318343.db2.gz GLAVYZGULVOHQK-FQEVSTJZSA-N 1 0 424.630 2.659 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cc(F)cc(-c4nn[nH]n4)c3)nc3ccc(C)cc3n12 ZINC001170149512 1077318344 /nfs/dbraw/zinc/31/83/44/1077318344.db2.gz UBXKRXWPLFTLJA-UHFFFAOYSA-N 1 0 417.452 2.915 20 0 HFADRO C[N@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H](CCO)c1ccccc1 ZINC000788847047 1077318451 /nfs/dbraw/zinc/31/84/51/1077318451.db2.gz PDRCRONXIGCOFV-QUCCMNQESA-N 1 0 419.566 2.805 20 0 HFADRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C1CCCCC1 ZINC000788881642 1077328616 /nfs/dbraw/zinc/32/86/16/1077328616.db2.gz LJUXWJFEZPEKBU-INIZCTEOSA-N 1 0 421.485 2.976 20 0 HFADRO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1F ZINC000788882764 1077329160 /nfs/dbraw/zinc/32/91/60/1077329160.db2.gz VEZLQZRGDSDDOD-CQSZACIVSA-N 1 0 404.479 2.540 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccc1F ZINC000788915812 1077353917 /nfs/dbraw/zinc/35/39/17/1077353917.db2.gz KYMWUNKAKHLQIM-LIRRHRJNSA-N 1 0 408.495 2.890 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c(Cl)cc1Cl ZINC000788920006 1077355972 /nfs/dbraw/zinc/35/59/72/1077355972.db2.gz MZIHUBXVPQFTPH-LLVKDONJSA-N 1 0 409.335 2.933 20 0 HFADRO COc1cc(OC)cc([C@H](O)CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746777580 1077359057 /nfs/dbraw/zinc/35/90/57/1077359057.db2.gz MNROGGUUBITRLW-WOJBJXKFSA-N 1 0 421.925 2.993 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cc(-n4ccnc4C)ncn3)nc3ccc(C)cc3n12 ZINC001170152818 1077371020 /nfs/dbraw/zinc/37/10/20/1077371020.db2.gz YTRVAEFQDCCNIU-UHFFFAOYSA-N 1 0 413.489 2.880 20 0 HFADRO CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000788942794 1077372833 /nfs/dbraw/zinc/37/28/33/1077372833.db2.gz YDBCOOAPVALPGF-YADHBBJMSA-N 1 0 402.583 2.602 20 0 HFADRO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3cc(C(C)C)nn3C)CC2)cc1 ZINC000747003692 1077373724 /nfs/dbraw/zinc/37/37/24/1077373724.db2.gz AGMAXUPHELMPMJ-UHFFFAOYSA-N 1 0 412.534 2.743 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000788988076 1077374470 /nfs/dbraw/zinc/37/44/70/1077374470.db2.gz PHJUZEZCMXSAMT-DFQSSKMNSA-N 1 0 409.571 2.689 20 0 HFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000788980420 1077382549 /nfs/dbraw/zinc/38/25/49/1077382549.db2.gz FMQSVFLCWGOXGT-FXAWDEMLSA-N 1 0 415.559 2.976 20 0 HFADRO Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000791311465 1077382739 /nfs/dbraw/zinc/38/27/39/1077382739.db2.gz MYDNLXJHOCXHSD-RREGXIAVSA-N 1 0 401.532 2.878 20 0 HFADRO CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H](O)c1ccccc1 ZINC000789040679 1077391350 /nfs/dbraw/zinc/39/13/50/1077391350.db2.gz VIUKVUDHXFVQHH-VXKWHMMOSA-N 1 0 416.610 2.994 20 0 HFADRO CC(C)c1cc(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000747007930 1077395624 /nfs/dbraw/zinc/39/56/24/1077395624.db2.gz BIWLDDXOPYSLSO-KRWDZBQOSA-N 1 0 412.534 2.870 20 0 HFADRO CCOC(=O)c1cc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1Cl ZINC000746787306 1077401972 /nfs/dbraw/zinc/40/19/72/1077401972.db2.gz AGVCZVDHCBXUMS-UHFFFAOYSA-N 1 0 409.914 2.834 20 0 HFADRO Cc1cc(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)n(C2CC[NH+](C)CC2)n1 ZINC000789137579 1077407310 /nfs/dbraw/zinc/40/73/10/1077407310.db2.gz XKNRDPIJUSQYHO-HXUWFJFHSA-N 1 0 424.549 2.723 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)c1 ZINC000791479335 1077420837 /nfs/dbraw/zinc/42/08/37/1077420837.db2.gz RRRRXKYUBZMBEU-QFIPXVFZSA-N 1 0 411.502 2.787 20 0 HFADRO O=C(Nc1ccnn1C1CCCC1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000746787095 1077424531 /nfs/dbraw/zinc/42/45/31/1077424531.db2.gz YGXIQOCFGMZIBJ-UHFFFAOYSA-N 1 0 413.497 2.857 20 0 HFADRO O=C(COC(=O)c1n[nH]c2c1CCCCC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000789165609 1077440270 /nfs/dbraw/zinc/44/02/70/1077440270.db2.gz SEJGLSNZMWZYHK-UHFFFAOYSA-N 1 0 410.518 2.748 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C2)c1 ZINC000791471063 1077442911 /nfs/dbraw/zinc/44/29/11/1077442911.db2.gz LFLHHBYTBUQGKH-WIYYLYMNSA-N 1 0 413.474 2.743 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[N@H+](C)Cc3ccccc3)C2)c1 ZINC000791474737 1077446130 /nfs/dbraw/zinc/44/61/30/1077446130.db2.gz HTIJEHHOEFAMCU-QFIPXVFZSA-N 1 0 411.502 2.835 20 0 HFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2nc(Br)ccc2F)cc1 ZINC000791572368 1077466301 /nfs/dbraw/zinc/46/63/01/1077466301.db2.gz DUWQXOMPMVNHND-UHFFFAOYSA-N 1 0 410.287 2.896 20 0 HFADRO C[C@H]1C[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C2CC2)O1 ZINC000791552549 1077475603 /nfs/dbraw/zinc/47/56/03/1077475603.db2.gz IFERVALRWJSLHT-FIRPJDEBSA-N 1 0 404.551 2.983 20 0 HFADRO CCOc1nc(C)ccc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791647604 1077510433 /nfs/dbraw/zinc/51/04/33/1077510433.db2.gz HEPAEJQRFLVJLJ-PKOBYXMFSA-N 1 0 411.502 2.725 20 0 HFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3nc(Br)ccc3F)nc2)C1 ZINC000791655103 1077513518 /nfs/dbraw/zinc/51/35/18/1077513518.db2.gz ZLHXHHKAYQECEN-GFCCVEGCSA-N 1 0 408.275 2.771 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000791628035 1077519039 /nfs/dbraw/zinc/51/90/39/1077519039.db2.gz GIMZVTOIZXYOOQ-UHFFFAOYSA-N 1 0 409.914 2.597 20 0 HFADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)CCN3CCOC(C)(C)C3)cc(=O)oc2c1 ZINC000789329759 1077523184 /nfs/dbraw/zinc/52/31/84/1077523184.db2.gz AWTOIHCOBNAQKD-UHFFFAOYSA-N 1 0 417.506 2.904 20 0 HFADRO C[C@H]1CC[C@@H]([NH2+]C(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)C1 ZINC001170103306 1077532511 /nfs/dbraw/zinc/53/25/11/1077532511.db2.gz FBMCNRIZYIRZIV-XJKSGUPXSA-N 1 0 416.497 2.568 20 0 HFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000746803545 1077539411 /nfs/dbraw/zinc/53/94/11/1077539411.db2.gz MPQLWFIPWHAVNX-JTQLQIEISA-N 1 0 405.367 2.511 20 0 HFADRO CCS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)s1 ZINC000791724956 1077541450 /nfs/dbraw/zinc/54/14/50/1077541450.db2.gz VXWJFNHVYROYJE-UHFFFAOYSA-N 1 0 422.576 2.615 20 0 HFADRO COc1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(N(C)C)cc2)c(OC)c1 ZINC000789418433 1077550178 /nfs/dbraw/zinc/55/01/78/1077550178.db2.gz FGGSILYOGGROAS-UHFFFAOYSA-O 1 0 414.551 2.890 20 0 HFADRO O=C(Nc1ccc(-n2nccn2)nc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000791766669 1077558052 /nfs/dbraw/zinc/55/80/52/1077558052.db2.gz AMLCGWKQCDPIAA-UHFFFAOYSA-N 1 0 409.416 2.589 20 0 HFADRO CCn1cc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc3c(c2)CCCC3)cn1 ZINC000789401774 1077559894 /nfs/dbraw/zinc/55/98/94/1077559894.db2.gz MTUCFNHKBMAWRZ-UHFFFAOYSA-O 1 0 410.527 2.521 20 0 HFADRO CSCCCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc2c(c1)CCCC2 ZINC000789401783 1077559902 /nfs/dbraw/zinc/55/99/02/1077559902.db2.gz MVUDDTJLLKBBEC-UHFFFAOYSA-O 1 0 404.585 2.535 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000789404883 1077562143 /nfs/dbraw/zinc/56/21/43/1077562143.db2.gz KECDMHMXNYBKTK-OXJNMPFZSA-N 1 0 411.502 2.902 20 0 HFADRO O=S(=O)(c1ccccc1)N1CCN(CCNc2ccc([C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001170107909 1077573943 /nfs/dbraw/zinc/57/39/43/1077573943.db2.gz WRAVZZHIDFPSRY-QFIPXVFZSA-N 1 0 414.575 2.530 20 0 HFADRO CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000791828353 1077576147 /nfs/dbraw/zinc/57/61/47/1077576147.db2.gz MRBPXELHKWJRFT-KRWDZBQOSA-N 1 0 404.507 2.871 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815803 1077583662 /nfs/dbraw/zinc/58/36/62/1077583662.db2.gz NLOQOSQZVBSOEM-IEBWSBKVSA-N 1 0 407.942 2.713 20 0 HFADRO COC(=O)C1=C(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000789504097 1077598547 /nfs/dbraw/zinc/59/85/47/1077598547.db2.gz LTZBCUAOBIAHNG-REWPJTCUSA-N 1 0 415.534 2.683 20 0 HFADRO CC(C)(C)OC(=O)NC1(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC1 ZINC000746821322 1077609187 /nfs/dbraw/zinc/60/91/87/1077609187.db2.gz IDJYFPQLHNTONY-UHFFFAOYSA-N 1 0 409.571 2.975 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000791974691 1077615988 /nfs/dbraw/zinc/61/59/88/1077615988.db2.gz FGZDQFBJQZXDQF-FPOVZHCZSA-N 1 0 418.497 2.635 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NC[C@@H](O)c3ccccc3Cl)cccc21 ZINC000789529495 1077625496 /nfs/dbraw/zinc/62/54/96/1077625496.db2.gz VZVZBAPDVMVMBG-ZWKOTPCHSA-N 1 0 417.893 2.514 20 0 HFADRO C[NH+](C)CCCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000791965097 1077637564 /nfs/dbraw/zinc/63/75/64/1077637564.db2.gz RXBJWSJZTFQHFF-CQSZACIVSA-N 1 0 415.303 2.935 20 0 HFADRO O=C(NCc1cccnc1-n1ccnc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792015425 1077651064 /nfs/dbraw/zinc/65/10/64/1077651064.db2.gz WGFXHFINKSUSAT-UHFFFAOYSA-N 1 0 422.455 2.872 20 0 HFADRO COc1cc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)ccc1OCc1ccc(Cl)cc1 ZINC000789559728 1077678570 /nfs/dbraw/zinc/67/85/70/1077678570.db2.gz ARSJEEGIKJSBJR-INIZCTEOSA-N 1 0 403.866 2.647 20 0 HFADRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c1 ZINC000789561131 1077679382 /nfs/dbraw/zinc/67/93/82/1077679382.db2.gz PRAXVVICRFWGDW-IBGZPJMESA-N 1 0 407.449 2.707 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792046490 1077692324 /nfs/dbraw/zinc/69/23/24/1077692324.db2.gz KPNLLBQGNFSVFR-HXUWFJFHSA-N 1 0 404.518 2.897 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](c3ccsc3)[NH+](C)C)C2)c1 ZINC000792049129 1077694114 /nfs/dbraw/zinc/69/41/14/1077694114.db2.gz CDMZSVNJNMYSKN-MJGOQNOKSA-N 1 0 403.504 2.677 20 0 HFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792080923 1077706683 /nfs/dbraw/zinc/70/66/83/1077706683.db2.gz GKDLOEWWQBUZCA-SFHVURJKSA-N 1 0 410.603 2.556 20 0 HFADRO COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=[NH2+])NOCC(=O)NC(C)(C)C)cc1 ZINC000789631205 1077710856 /nfs/dbraw/zinc/71/08/56/1077710856.db2.gz DWKPJHXAQJEWIL-MRXNPFEDSA-N 1 0 408.499 2.674 20 0 HFADRO COCCC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000792092822 1077712763 /nfs/dbraw/zinc/71/27/63/1077712763.db2.gz JELPWCBINFBEIS-FGZHOGPDSA-N 1 0 403.567 2.967 20 0 HFADRO C[C@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC1(C)OCCO1 ZINC000792134465 1077718382 /nfs/dbraw/zinc/71/83/82/1077718382.db2.gz SUTXOOWPQIYSBN-JEYLPNPQSA-N 1 0 407.477 2.880 20 0 HFADRO O=C(N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)C1(O)CCCCC1 ZINC001157460260 1077720598 /nfs/dbraw/zinc/72/05/98/1077720598.db2.gz MIEZIQGPJKUUCO-HXUWFJFHSA-N 1 0 421.532 2.736 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)c1 ZINC000792172788 1077733784 /nfs/dbraw/zinc/73/37/84/1077733784.db2.gz SLHVIFCGVCSLEX-OAQYLSRUSA-N 1 0 401.507 2.531 20 0 HFADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792177666 1077735535 /nfs/dbraw/zinc/73/55/35/1077735535.db2.gz FYORQHOVKXGHTI-ZIBCJSCZSA-N 1 0 414.550 2.627 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000789679048 1077738969 /nfs/dbraw/zinc/73/89/69/1077738969.db2.gz XLPQCISCQIVMLJ-AWEZNQCLSA-N 1 0 401.898 2.719 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000746844247 1077739611 /nfs/dbraw/zinc/73/96/11/1077739611.db2.gz RGTITKDHPMHITJ-ICSRJNTNSA-N 1 0 418.582 2.594 20 0 HFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1 ZINC000792221781 1077747394 /nfs/dbraw/zinc/74/73/94/1077747394.db2.gz OSAVJBCLHQEZAH-AZUAARDMSA-N 1 0 404.507 2.581 20 0 HFADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1 ZINC000792221783 1077747533 /nfs/dbraw/zinc/74/75/33/1077747533.db2.gz OSAVJBCLHQEZAH-QUCCMNQESA-N 1 0 404.507 2.581 20 0 HFADRO CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792223953 1077749469 /nfs/dbraw/zinc/74/94/69/1077749469.db2.gz AVBOGVBKERBXCV-FQEVSTJZSA-N 1 0 404.518 2.931 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000792226268 1077751771 /nfs/dbraw/zinc/75/17/71/1077751771.db2.gz PKQOQDCLDXUODO-HBMCJLEFSA-N 1 0 413.518 2.636 20 0 HFADRO CCCCn1ncc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1C(C)C ZINC000792236442 1077758186 /nfs/dbraw/zinc/75/81/86/1077758186.db2.gz MMBFJNNPNRMLBZ-GOSISDBHSA-N 1 0 419.570 2.505 20 0 HFADRO CCc1ccc(N2C[C@H](C(=O)NCc3ccccc3OCC[NH+](C)C)CC2=O)cc1 ZINC000746854634 1077768410 /nfs/dbraw/zinc/76/84/10/1077768410.db2.gz ANAQGUVOLVNIKQ-HXUWFJFHSA-N 1 0 409.530 2.859 20 0 HFADRO CCCCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1(C)C ZINC001170119160 1077771054 /nfs/dbraw/zinc/77/10/54/1077771054.db2.gz VBTNEKMMCCHSKO-ROUUACIJSA-N 1 0 420.506 2.772 20 0 HFADRO CC(C)n1ncc2cc(CN3CCC[C@H](N4CCCS4(=O)=O)C3)c(Cl)nc21 ZINC000789771337 1077771360 /nfs/dbraw/zinc/77/13/60/1077771360.db2.gz RUCVJMIZOLPIDX-INIZCTEOSA-N 1 0 411.959 2.666 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(C[NH+]4CCC(O)CC4)cc3)C2)c1 ZINC000792284593 1077774975 /nfs/dbraw/zinc/77/49/75/1077774975.db2.gz NLFHDIYRMJKGLQ-QFIPXVFZSA-N 1 0 409.486 2.784 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3ccccc3C[NH+]3CCC(O)CC3)C2)c1 ZINC000792284494 1077774995 /nfs/dbraw/zinc/77/49/95/1077774995.db2.gz LZRIHIYPYMSSRL-JOCHJYFZSA-N 1 0 409.486 2.784 20 0 HFADRO Cc1cc(=O)oc2cc(OCC(=O)NCc3ccccc3OCC[NH+](C)C)ccc12 ZINC000746855596 1077775642 /nfs/dbraw/zinc/77/56/42/1077775642.db2.gz ORWIPWZZEYTFPU-UHFFFAOYSA-N 1 0 410.470 2.737 20 0 HFADRO CCc1nc(NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)sc1C ZINC000789749687 1077782218 /nfs/dbraw/zinc/78/22/18/1077782218.db2.gz SGVJFCFRTMHVEM-UHFFFAOYSA-N 1 0 401.536 2.733 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)C2)c1 ZINC000792301823 1077795937 /nfs/dbraw/zinc/79/59/37/1077795937.db2.gz DELOZJZZZQYTCG-JOCHJYFZSA-N 1 0 415.534 2.539 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000792315425 1077804242 /nfs/dbraw/zinc/80/42/42/1077804242.db2.gz YFIKWLYEPYUXNV-MRXNPFEDSA-N 1 0 421.542 2.567 20 0 HFADRO Cn1cc(N2CC[C@@H]([NH+]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)C2=O)cn1 ZINC000792331838 1077821337 /nfs/dbraw/zinc/82/13/37/1077821337.db2.gz QJUVMROHXDLKFK-GOSISDBHSA-N 1 0 417.554 2.639 20 0 HFADRO C[C@@H]1CN(C(=O)C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)C[C@H](C)O1 ZINC000792331595 1077821380 /nfs/dbraw/zinc/82/13/80/1077821380.db2.gz GOGYKEKMRFKKAB-HDICACEKSA-N 1 0 409.571 2.735 20 0 HFADRO COCCS(=O)(=O)CCC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792334538 1077823528 /nfs/dbraw/zinc/82/35/28/1077823528.db2.gz ZZDRNKIHXYQYKR-UHFFFAOYSA-N 1 0 418.600 2.551 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339460 1077825861 /nfs/dbraw/zinc/82/58/61/1077825861.db2.gz ABQATRJWFUXQRW-MSOLQXFVSA-N 1 0 413.905 2.925 20 0 HFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc(Br)ccc1F ZINC000792342468 1077827093 /nfs/dbraw/zinc/82/70/93/1077827093.db2.gz SXYTYRZWWOINJA-IBGZPJMESA-N 1 0 422.298 2.692 20 0 HFADRO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000792387950 1077830463 /nfs/dbraw/zinc/83/04/63/1077830463.db2.gz OTFKICKMTRFKLQ-PBHICJAKSA-N 1 0 412.456 2.566 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792399234 1077835585 /nfs/dbraw/zinc/83/55/85/1077835585.db2.gz QUCIVKVXKSKBOU-UHFFFAOYSA-N 1 0 418.847 2.903 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cnc(Cl)cc2C)c1 ZINC000792400745 1077835829 /nfs/dbraw/zinc/83/58/29/1077835829.db2.gz SVRDIHGXQZLCCC-UHFFFAOYSA-N 1 0 404.898 2.581 20 0 HFADRO C[C@@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000792462156 1077858384 /nfs/dbraw/zinc/85/83/84/1077858384.db2.gz CYQWOGNWFIVGTP-QGZVFWFLSA-N 1 0 418.607 2.757 20 0 HFADRO C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCC(=O)OC(C)(C)C)C1 ZINC001170122440 1077859118 /nfs/dbraw/zinc/85/91/18/1077859118.db2.gz QVHFZKPDTWENEF-RBUKOAKNSA-N 1 0 403.560 2.563 20 0 HFADRO CCOC(=O)C1=C(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000792466635 1077859942 /nfs/dbraw/zinc/85/99/42/1077859942.db2.gz ZYCGSJDCPMRDDQ-SPYBWZPUSA-N 1 0 405.495 2.588 20 0 HFADRO COC[C@@H](Cc1ccccc1)N(C)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792478175 1077875081 /nfs/dbraw/zinc/87/50/81/1077875081.db2.gz IKIUIECFNBXWMF-HXUWFJFHSA-N 1 0 419.566 2.645 20 0 HFADRO Cc1ccc(NC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000789984683 1077884217 /nfs/dbraw/zinc/88/42/17/1077884217.db2.gz WXWBYFYBPKFLJX-OAHLLOKOSA-N 1 0 420.510 2.544 20 0 HFADRO CC(C)C(=O)NCCc1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc1 ZINC001170167580 1077885535 /nfs/dbraw/zinc/88/55/35/1077885535.db2.gz ORYWAFGCVIQTBI-UHFFFAOYSA-N 1 0 409.534 2.869 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(Br)cc1F ZINC000790008800 1077893239 /nfs/dbraw/zinc/89/32/39/1077893239.db2.gz QADRWMUWRGLRCG-UHFFFAOYSA-N 1 0 420.304 2.731 20 0 HFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000789996231 1077895721 /nfs/dbraw/zinc/89/57/21/1077895721.db2.gz WRWKUSFZIUFPCX-QGZVFWFLSA-N 1 0 418.538 2.683 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792551281 1077900134 /nfs/dbraw/zinc/90/01/34/1077900134.db2.gz JVXUBLIWHCDDME-YMAMQOFZSA-N 1 0 405.461 2.917 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)CCO1 ZINC001170206758 1077906028 /nfs/dbraw/zinc/90/60/28/1077906028.db2.gz ARKJACYDCABJIE-JQVVWYNYSA-N 1 0 400.523 2.609 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)CCO1 ZINC001170206763 1077906068 /nfs/dbraw/zinc/90/60/68/1077906068.db2.gz ARKJACYDCABJIE-NNMXDRDESA-N 1 0 400.523 2.609 20 0 HFADRO CC[C@H]1C[C@@H]([NH+]2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3CC)CCO1 ZINC001170213769 1077908589 /nfs/dbraw/zinc/90/85/89/1077908589.db2.gz JPYFGMNOKPWXDI-PMACEKPBSA-N 1 0 412.582 2.868 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214085 1077908595 /nfs/dbraw/zinc/90/85/95/1077908595.db2.gz MMWMWGFSSKMUCO-CIAFKFPVSA-N 1 0 406.592 2.913 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3CC)CCO1 ZINC001170213772 1077908629 /nfs/dbraw/zinc/90/86/29/1077908629.db2.gz JPYFGMNOKPWXDI-WOJBJXKFSA-N 1 0 412.582 2.868 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(Cl)c(C=O)cc1Cl ZINC000790043250 1077909477 /nfs/dbraw/zinc/90/94/77/1077909477.db2.gz AWKBKQHQCBOXFP-UHFFFAOYSA-N 1 0 420.318 2.949 20 0 HFADRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC001170217419 1077909796 /nfs/dbraw/zinc/90/97/96/1077909796.db2.gz QEDMPJNJZJVMBO-MRXNPFEDSA-N 1 0 423.510 2.642 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000790008926 1077910906 /nfs/dbraw/zinc/91/09/06/1077910906.db2.gz ASQUKJLNILBJPT-KRWDZBQOSA-N 1 0 411.568 2.816 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CCO1 ZINC001170236222 1077914088 /nfs/dbraw/zinc/91/40/88/1077914088.db2.gz CQRZJADEWMZGFS-RCCFBDPRSA-N 1 0 406.523 2.864 20 0 HFADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792579808 1077915821 /nfs/dbraw/zinc/91/58/21/1077915821.db2.gz XKTZBKVICYCQJO-HSALFYBXSA-N 1 0 417.550 2.507 20 0 HFADRO CC(C)N1C(=S)N=NC1C1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000790025103 1077918253 /nfs/dbraw/zinc/91/82/53/1077918253.db2.gz UVODFHXJYUIVQK-UHFFFAOYSA-N 1 0 423.608 2.778 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)C1 ZINC001170264647 1077921437 /nfs/dbraw/zinc/92/14/37/1077921437.db2.gz UHNAMDNFXQPRQB-GUDVDZBRSA-N 1 0 405.587 2.992 20 0 HFADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccccc1Cl)C(N)=O ZINC001170266368 1077922325 /nfs/dbraw/zinc/92/23/25/1077922325.db2.gz NGNUIJATBDIZRY-JLSDUUJJSA-N 1 0 414.015 2.999 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncnc3c2ccn3COCC[Si](C)(C)C)O1 ZINC001170270045 1077923740 /nfs/dbraw/zinc/92/37/40/1077923740.db2.gz CIQSZUFVAYKGDH-HLIPFELVSA-N 1 0 421.618 2.880 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@H+]1Cc2ccnn2C[C@@H](COCC(=O)N(C)C)C1 ZINC001170275966 1077926834 /nfs/dbraw/zinc/92/68/34/1077926834.db2.gz KSABKSMAJBYMBN-SJORKVTESA-N 1 0 404.942 2.704 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccccc1C(=O)OC(C)(C)C ZINC000790047752 1077927770 /nfs/dbraw/zinc/92/77/70/1077927770.db2.gz HQTUQMOCQWDOLC-UHFFFAOYSA-N 1 0 423.535 2.785 20 0 HFADRO C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCC4C[NH+](C)C4)c23)C1 ZINC001170253539 1077928162 /nfs/dbraw/zinc/92/81/62/1077928162.db2.gz NWTYFWHCUQLFLU-AWEZNQCLSA-N 1 0 401.580 2.622 20 0 HFADRO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)N1CCN(Cc2ccsc2)CC1 ZINC001170292311 1077929169 /nfs/dbraw/zinc/92/91/69/1077929169.db2.gz YHWUYRWTNKQMCV-UHFFFAOYSA-N 1 0 413.587 2.774 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccccc1OC(F)(F)F ZINC000790051164 1077931554 /nfs/dbraw/zinc/93/15/54/1077931554.db2.gz LMRCQHTVYPNNQT-UHFFFAOYSA-N 1 0 407.414 2.728 20 0 HFADRO COc1cc(C(=O)OC(C)(C)C)cc(OC)c1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170281055 1077936892 /nfs/dbraw/zinc/93/68/92/1077936892.db2.gz BQLJRUNZODWKLT-MBOZVWFJSA-N 1 0 410.511 2.796 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccccc2CS(=O)(=O)c2ccccc2)O1 ZINC001170285537 1077937692 /nfs/dbraw/zinc/93/76/92/1077937692.db2.gz ZUFLWDMFUZNYHF-NJYVYQBISA-N 1 0 404.532 2.797 20 0 HFADRO NC(=O)C1CCN(c2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ncn2)CC1 ZINC001170329975 1077944810 /nfs/dbraw/zinc/94/48/10/1077944810.db2.gz CDCNZIAWJFHPQZ-MZADTFQBSA-N 1 0 420.561 2.786 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCOCC34CCCCC4)CC2)cc1 ZINC001170308821 1077948245 /nfs/dbraw/zinc/94/82/45/1077948245.db2.gz ZAMWCWSIADKYMM-UHFFFAOYSA-N 1 0 415.578 2.765 20 0 HFADRO COc1ccc([C@H]2CCCCCN2C(=O)CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC001170352200 1077948446 /nfs/dbraw/zinc/94/84/46/1077948446.db2.gz USKIBZGRSNFQLV-XQBPLPMBSA-N 1 0 403.567 2.526 20 0 HFADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001170384953 1077956809 /nfs/dbraw/zinc/95/68/09/1077956809.db2.gz DWFONVOMGISBAI-QZTJIDSGSA-N 1 0 414.506 2.509 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000790156467 1077960949 /nfs/dbraw/zinc/96/09/49/1077960949.db2.gz ALEFNUMULAQJJR-UGKGYDQZSA-N 1 0 413.566 2.880 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2cccc(C[NH3+])c2)C1 ZINC001170376836 1077962488 /nfs/dbraw/zinc/96/24/88/1077962488.db2.gz PNPYZZLHJYRIHA-BHDDXSALSA-N 1 0 417.550 2.898 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000790183114 1077973220 /nfs/dbraw/zinc/97/32/20/1077973220.db2.gz FDXAOBBTFYPXMC-KGLIPLIRSA-N 1 0 401.429 2.611 20 0 HFADRO Cn1ccnc1[C@](O)(CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)C(F)(F)F ZINC000790241233 1077974945 /nfs/dbraw/zinc/97/49/45/1077974945.db2.gz LNQZBSUTCUXLDH-KBXCAEBGSA-N 1 0 412.412 2.584 20 0 HFADRO CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000790244623 1077975351 /nfs/dbraw/zinc/97/53/51/1077975351.db2.gz WJBXMPHXNYAZCW-SFHVURJKSA-N 1 0 419.503 2.506 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C3CCN(C(=O)c4cccnc4)CC3)cccc21 ZINC000790234185 1077982575 /nfs/dbraw/zinc/98/25/75/1077982575.db2.gz DBZYQRCCHUDWGQ-FQEVSTJZSA-N 1 0 408.502 2.958 20 0 HFADRO O=S(=O)(C[C@H]1CCCOC1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765539 1077988274 /nfs/dbraw/zinc/98/82/74/1077988274.db2.gz QBDFFIWUECBFCQ-DOTOQJQBSA-N 1 0 406.470 2.626 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001170419609 1077989380 /nfs/dbraw/zinc/98/93/80/1077989380.db2.gz HAQXOFDWUBAGFG-CVEARBPZSA-N 1 0 408.495 2.782 20 0 HFADRO O=C1[C@@H]([NH2+]C2(c3cccc(Br)c3)CCOCC2)CCN1C1CCOCC1 ZINC000790311436 1077994202 /nfs/dbraw/zinc/99/42/02/1077994202.db2.gz NCQGERCKCIBRAJ-SFHVURJKSA-N 1 0 423.351 2.824 20 0 HFADRO CCC[N@H+]([C@@H]1CCN(C2CCOCC2)C1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000790313748 1077994659 /nfs/dbraw/zinc/99/46/59/1077994659.db2.gz CRFTYWMTUIVBDY-JOCHJYFZSA-N 1 0 413.562 2.783 20 0 HFADRO O=C1O[C@]2(CN1CN1CCO[C@H](c3ccc(F)c(Cl)c3)C1)C[NH+]1CCC2CC1 ZINC000790362106 1078004314 /nfs/dbraw/zinc/00/43/14/1078004314.db2.gz JYBNNLUVFCAHKZ-ICSRJNTNSA-N 1 0 409.889 2.727 20 0 HFADRO C[C@H](c1ccc(F)cc1F)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790361252 1078004528 /nfs/dbraw/zinc/00/45/28/1078004528.db2.gz CWZZGWIALXMLPB-ZHRRBRCNSA-N 1 0 420.504 2.518 20 0 HFADRO CCCN(CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362371 1078004803 /nfs/dbraw/zinc/00/48/03/1078004803.db2.gz KZFZLPHHXUGXDS-AVRDEDQJSA-N 1 0 422.570 2.582 20 0 HFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N(CCO)Cc1cccnc1Cl ZINC000792827341 1078006650 /nfs/dbraw/zinc/00/66/50/1078006650.db2.gz BEWLRADLNOQNKG-UHFFFAOYSA-N 1 0 402.926 2.687 20 0 HFADRO O=C(NC[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792861120 1078010453 /nfs/dbraw/zinc/01/04/53/1078010453.db2.gz XVTJWZYRJTUIIU-UXHICEINSA-N 1 0 414.550 2.819 20 0 HFADRO CN(Cc1ccc(Br)c(F)c1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790389068 1078012258 /nfs/dbraw/zinc/01/22/58/1078012258.db2.gz PBBKDXBJELYLTQ-SFHVURJKSA-N 1 0 412.303 2.894 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)nn(C)c3-n3ccnc3C)cc2)CC1 ZINC000792841259 1078012606 /nfs/dbraw/zinc/01/26/06/1078012606.db2.gz LXYCEAQXBXNXRA-UHFFFAOYSA-N 1 0 407.522 2.617 20 0 HFADRO O=C1O[C@@]2(CN1CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C[NH+]1CCC2CC1 ZINC000790365436 1078015265 /nfs/dbraw/zinc/01/52/65/1078015265.db2.gz DFIDLGPQZCRKML-VNHYZAJKSA-N 1 0 415.378 2.923 20 0 HFADRO CN(Cc1cc(Br)cs1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790369069 1078015928 /nfs/dbraw/zinc/01/59/28/1078015928.db2.gz PDKLJPBSDGNFAS-MRXNPFEDSA-N 1 0 400.342 2.817 20 0 HFADRO O=C1O[C@]2(CN1CN1CCC(Oc3ccc(F)cc3F)CC1)C[NH+]1CCC2CC1 ZINC000790369025 1078015986 /nfs/dbraw/zinc/01/59/86/1078015986.db2.gz OHIHSARFKPOJDC-NRFANRHFSA-N 1 0 407.461 2.682 20 0 HFADRO CN(Cc1ccc(Br)s1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790370114 1078016254 /nfs/dbraw/zinc/01/62/54/1078016254.db2.gz QZSSGPAAGFKBQZ-INIZCTEOSA-N 1 0 400.342 2.817 20 0 HFADRO C[C@@H](CNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000792893576 1078018122 /nfs/dbraw/zinc/01/81/22/1078018122.db2.gz VRABJGGAJHJIJG-WMLDXEAASA-N 1 0 423.355 2.506 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914808 1078025131 /nfs/dbraw/zinc/02/51/31/1078025131.db2.gz SWKWBBYDOHSWOS-XJKCOSOUSA-N 1 0 421.847 2.555 20 0 HFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790430231 1078028609 /nfs/dbraw/zinc/02/86/09/1078028609.db2.gz UZBXKZHFFNYFTA-PMACEKPBSA-N 1 0 420.529 2.541 20 0 HFADRO C[C@@H]1C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000792973966 1078030419 /nfs/dbraw/zinc/03/04/19/1078030419.db2.gz PFIODEZOOSTVIW-BZUAXINKSA-N 1 0 401.548 2.592 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000792975578 1078030747 /nfs/dbraw/zinc/03/07/47/1078030747.db2.gz DQOUJNXYEJYLAT-YTFSRNRJSA-N 1 0 408.546 2.839 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)nc1Br ZINC000792947795 1078032608 /nfs/dbraw/zinc/03/26/08/1078032608.db2.gz PXIRUKCOOIPYPE-LLVKDONJSA-N 1 0 411.325 2.572 20 0 HFADRO COC(=O)c1c2cnn(CN(C)CC3([NH+](C)C)CCC3)c2ccc1Br ZINC000790441601 1078032728 /nfs/dbraw/zinc/03/27/28/1078032728.db2.gz NRPCJPUJMUXCFY-UHFFFAOYSA-N 1 0 409.328 2.959 20 0 HFADRO CC[N@H+](C)C[C@@H]1CCN(Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790443229 1078032865 /nfs/dbraw/zinc/03/28/65/1078032865.db2.gz JTCQDLIYOUZNOA-ZDUSSCGKSA-N 1 0 409.328 2.817 20 0 HFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000792948887 1078033000 /nfs/dbraw/zinc/03/30/00/1078033000.db2.gz MEQNJZKBPBMWQI-CHWSQXEVSA-N 1 0 416.503 2.740 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)nc1Br ZINC000792952595 1078033781 /nfs/dbraw/zinc/03/37/81/1078033781.db2.gz KCYLEPLJIYHQTR-AWEZNQCLSA-N 1 0 411.344 2.862 20 0 HFADRO COC(=O)N1CCC[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000792952425 1078033864 /nfs/dbraw/zinc/03/38/64/1078033864.db2.gz YZWQQAHXCACJSZ-SECBINFHSA-N 1 0 410.202 2.890 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2ccc1Br ZINC000790445380 1078034222 /nfs/dbraw/zinc/03/42/22/1078034222.db2.gz ZWYGIUXYNPCHCN-OLZOCXBDSA-N 1 0 407.312 2.711 20 0 HFADRO COC(=O)[C@H](COCc1ccccc1)Nc1nc(C2CC[NH2+]CC2)cc2nc[nH]c21 ZINC001170136474 1078035776 /nfs/dbraw/zinc/03/57/76/1078035776.db2.gz RINVKZIMMDKCPL-IBGZPJMESA-N 1 0 409.490 2.595 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000792961164 1078036597 /nfs/dbraw/zinc/03/65/97/1078036597.db2.gz VFSSJLVPDILFII-CYBMUJFWSA-N 1 0 405.308 2.996 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792982697 1078040021 /nfs/dbraw/zinc/04/00/21/1078040021.db2.gz FZWXEHVSRHWNSE-LSDHHAIUSA-N 1 0 423.355 2.896 20 0 HFADRO COCCN1CC2(CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)COc2ccccc2S1(=O)=O ZINC001170137207 1078041510 /nfs/dbraw/zinc/04/15/10/1078041510.db2.gz NCYKMEQQLBDQLY-RBUKOAKNSA-N 1 0 422.591 2.987 20 0 HFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792989832 1078042453 /nfs/dbraw/zinc/04/24/53/1078042453.db2.gz ZEHYJSSQXJIJSR-CQSZACIVSA-N 1 0 411.344 2.862 20 0 HFADRO Cn1c(=O)sc2cc(C[NH2+]C[C@@H](O)c3cc(Cl)c4c(c3)OCCO4)ccc21 ZINC000792993594 1078042949 /nfs/dbraw/zinc/04/29/49/1078042949.db2.gz VTYBDKCTLVJCSI-OAHLLOKOSA-N 1 0 406.891 2.848 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792994741 1078043532 /nfs/dbraw/zinc/04/35/32/1078043532.db2.gz GOTDDMNSOMHKJE-OAHLLOKOSA-N 1 0 417.307 2.516 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1)[NH+](C)C ZINC000806226675 1079509143 /nfs/dbraw/zinc/50/91/43/1079509143.db2.gz CLDOPTXUDFHJPK-CDXJDZJCSA-N 1 0 403.498 2.864 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000806254220 1079522160 /nfs/dbraw/zinc/52/21/60/1079522160.db2.gz QYRUCZSTROFSBX-KZNAEPCWSA-N 1 0 407.580 2.543 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000806271709 1079534470 /nfs/dbraw/zinc/53/44/70/1079534470.db2.gz KDVQFZUBZWEMPC-HSZRJFAPSA-N 1 0 414.550 2.915 20 0 HFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001170503429 1079547531 /nfs/dbraw/zinc/54/75/31/1079547531.db2.gz NNKKECUNXMDIFG-AEFFLSMTSA-N 1 0 409.571 2.782 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC000806306301 1079558382 /nfs/dbraw/zinc/55/83/82/1079558382.db2.gz ASSKJCFESQGTDL-IBGZPJMESA-N 1 0 418.538 2.610 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000806307670 1079559249 /nfs/dbraw/zinc/55/92/49/1079559249.db2.gz SNSLTGZJVLRDBO-HKUYNNGSSA-N 1 0 418.538 2.752 20 0 HFADRO COc1cccc([C@H](CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)[NH+](C)C)c1 ZINC000806308942 1079561377 /nfs/dbraw/zinc/56/13/77/1079561377.db2.gz ZVKQTZBKALDCAV-SNRMKQJTSA-N 1 0 420.554 2.995 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000806308397 1079562498 /nfs/dbraw/zinc/56/24/98/1079562498.db2.gz SVUHGKHOVYLACE-AZUAARDMSA-N 1 0 420.554 2.998 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000806308399 1079562580 /nfs/dbraw/zinc/56/25/80/1079562580.db2.gz SVUHGKHOVYLACE-QUCCMNQESA-N 1 0 420.554 2.998 20 0 HFADRO CCCNS(=O)(=O)c1ccc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000806309351 1079563607 /nfs/dbraw/zinc/56/36/07/1079563607.db2.gz ROQQIILTUQKSSK-UHFFFAOYSA-N 1 0 416.547 2.723 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321264 1079591786 /nfs/dbraw/zinc/59/17/86/1079591786.db2.gz SKUXKMQTQWIINT-UXHICEINSA-N 1 0 408.631 2.725 20 0 HFADRO CCCCC[C@@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C(C)(C)C ZINC000806322491 1079594713 /nfs/dbraw/zinc/59/47/13/1079594713.db2.gz WZXXGMASMNKWAB-VQTJNVASSA-N 1 0 408.631 2.726 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000806328492 1079601413 /nfs/dbraw/zinc/60/14/13/1079601413.db2.gz GMDMOOXAXMIQTM-UXHICEINSA-N 1 0 421.969 2.603 20 0 HFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)C(C)(C)C ZINC000806390393 1079642111 /nfs/dbraw/zinc/64/21/11/1079642111.db2.gz IZXUJTQWIWRTJS-WOJBJXKFSA-N 1 0 403.567 2.753 20 0 HFADRO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c12 ZINC000747326493 1079644969 /nfs/dbraw/zinc/64/49/69/1079644969.db2.gz SDXCCDKAFOYSEN-IRXDYDNUSA-N 1 0 410.449 2.930 20 0 HFADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cnc(C3OCCO3)s1)c1ccccc1O2 ZINC000806413409 1079661298 /nfs/dbraw/zinc/66/12/98/1079661298.db2.gz KITDIEYYQUXYSB-HNNXBMFYSA-N 1 0 415.515 2.907 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806423759 1079668428 /nfs/dbraw/zinc/66/84/28/1079668428.db2.gz DHXWUXXXTLWRCJ-DHIUTWEWSA-N 1 0 423.557 2.658 20 0 HFADRO COCC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000806427681 1079673067 /nfs/dbraw/zinc/67/30/67/1079673067.db2.gz NDQJJVSGITZJGL-MSOLQXFVSA-N 1 0 424.586 2.576 20 0 HFADRO O=C(Nc1ccnn1CC1CC1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000806436122 1079682555 /nfs/dbraw/zinc/68/25/55/1079682555.db2.gz CHYCOZFEPOBJPV-OAQYLSRUSA-N 1 0 408.550 2.717 20 0 HFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCc1ccon1 ZINC000806395245 1079683841 /nfs/dbraw/zinc/68/38/41/1079683841.db2.gz JYWSBFRSDLIUEF-UHFFFAOYSA-N 1 0 413.305 2.578 20 0 HFADRO CC[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC000806397780 1079685990 /nfs/dbraw/zinc/68/59/90/1079685990.db2.gz QHVSKWUWYRTQGL-UXHICEINSA-N 1 0 402.539 2.743 20 0 HFADRO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1c1cn(C)cn1 ZINC001130632574 1079717387 /nfs/dbraw/zinc/71/73/87/1079717387.db2.gz GUCYXDFOWWUMBT-SXFAUFNYSA-N 1 0 402.583 2.946 20 0 HFADRO Cc1cccc(C)c1CCNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000806447609 1079718862 /nfs/dbraw/zinc/71/88/62/1079718862.db2.gz VMTWJIZULBNTFH-RUZDIDTESA-N 1 0 407.558 2.991 20 0 HFADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508934 1079722729 /nfs/dbraw/zinc/72/27/29/1079722729.db2.gz YHDUSGQOWOJDMQ-PYNJAUNQSA-N 1 0 413.942 2.541 20 0 HFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000806465067 1079736314 /nfs/dbraw/zinc/73/63/14/1079736314.db2.gz QUGAWHYCGFLRFH-UHFFFAOYSA-N 1 0 418.719 2.502 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccnc1-2 ZINC000806490761 1079742058 /nfs/dbraw/zinc/74/20/58/1079742058.db2.gz LXLIWIYYMDCNCH-MISYRCLQSA-N 1 0 404.518 2.764 20 0 HFADRO CCOc1cc2c(cc1/C=C/C(=O)N1CC[NH+](C3CCOCC3)CC1)O[C@@H](C)C2 ZINC000747331872 1079747266 /nfs/dbraw/zinc/74/72/66/1079747266.db2.gz BVFAGLFIQSYTTR-BDUNBXCCSA-N 1 0 400.519 2.745 20 0 HFADRO COC(OC)c1ccc(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)o1 ZINC000806502203 1079752357 /nfs/dbraw/zinc/75/23/57/1079752357.db2.gz LASOXGNRQYLUCA-UHFFFAOYSA-N 1 0 401.463 2.521 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)C1 ZINC000806501683 1079752775 /nfs/dbraw/zinc/75/27/75/1079752775.db2.gz JRLHOIRZDBYMNX-IEBWSBKVSA-N 1 0 415.534 2.676 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000806503336 1079753298 /nfs/dbraw/zinc/75/32/98/1079753298.db2.gz OFRSKOXIXFVWLR-FVCCEPFGSA-N 1 0 417.394 2.565 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000806502595 1079754270 /nfs/dbraw/zinc/75/42/70/1079754270.db2.gz HHDRPCVVXMJJKQ-XUVXKRRUSA-N 1 0 421.969 2.601 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cccc(NC(=O)OC)c2C)CC1 ZINC000806508188 1079757801 /nfs/dbraw/zinc/75/78/01/1079757801.db2.gz VCUNISSSJRSNHQ-UHFFFAOYSA-N 1 0 422.526 2.764 20 0 HFADRO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000747333157 1079775021 /nfs/dbraw/zinc/77/50/21/1079775021.db2.gz UXXAWWBLWRGJQY-UHFFFAOYSA-N 1 0 402.926 2.830 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000806538830 1079776681 /nfs/dbraw/zinc/77/66/81/1079776681.db2.gz VXAQOTFMUFPGHM-FQEVSTJZSA-N 1 0 402.539 2.819 20 0 HFADRO CCN(C(=O)C(=O)NCCc1ccc(Cl)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806594121 1079836364 /nfs/dbraw/zinc/83/63/64/1079836364.db2.gz GVTZPZVHNPRQDY-LJQANCHMSA-N 1 0 414.937 2.517 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806619688 1079854669 /nfs/dbraw/zinc/85/46/69/1079854669.db2.gz JRAQWGJIIBQDKI-VQTJNVASSA-N 1 0 402.539 2.819 20 0 HFADRO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747341683 1079876142 /nfs/dbraw/zinc/87/61/42/1079876142.db2.gz HDFBJJKFOCUIGA-HZPDHXFCSA-N 1 0 409.490 2.865 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CC1=O ZINC001130707252 1079877653 /nfs/dbraw/zinc/87/76/53/1079877653.db2.gz PBJXQEDZDWBCKG-UHFFFAOYSA-N 1 0 401.894 2.978 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000806633155 1079887866 /nfs/dbraw/zinc/88/78/66/1079887866.db2.gz DXVSORQXWUYACN-IBGZPJMESA-N 1 0 420.554 2.779 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000806638016 1079895334 /nfs/dbraw/zinc/89/53/34/1079895334.db2.gz BUSOFRDYVCBDOB-KRWDZBQOSA-N 1 0 408.568 2.880 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738409 1079929599 /nfs/dbraw/zinc/92/95/99/1079929599.db2.gz CZDCRETXIUQSBA-CPUCHLNUSA-N 1 0 402.322 2.579 20 0 HFADRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000806720705 1079943163 /nfs/dbraw/zinc/94/31/63/1079943163.db2.gz BGQARUAGKMELSK-UHFFFAOYSA-N 1 0 404.923 2.943 20 0 HFADRO CN(C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806727167 1079950756 /nfs/dbraw/zinc/95/07/56/1079950756.db2.gz BKABKVFIEKUNRZ-JOCHJYFZSA-N 1 0 423.557 2.653 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000806726969 1079950770 /nfs/dbraw/zinc/95/07/70/1079950770.db2.gz KMPGKOTVCQKIIA-LEWJYISDSA-N 1 0 416.566 2.813 20 0 HFADRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000806728262 1079951790 /nfs/dbraw/zinc/95/17/90/1079951790.db2.gz NKUYNVIHVGURHD-LJQANCHMSA-N 1 0 423.557 2.653 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000806770306 1079990102 /nfs/dbraw/zinc/99/01/02/1079990102.db2.gz YDVVUWQLNHCECC-UHFFFAOYSA-N 1 0 424.586 2.578 20 0 HFADRO CN1CCN(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)[C@@H](c2ccccc2)C1 ZINC000806744545 1079998519 /nfs/dbraw/zinc/99/85/19/1079998519.db2.gz DISZLHIFGANCAY-LJQANCHMSA-N 1 0 410.449 3.000 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000806814527 1080026846 /nfs/dbraw/zinc/02/68/46/1080026846.db2.gz PYUMSDTZZYDMAI-SXLOBPIMSA-N 1 0 419.591 2.840 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806814613 1080027089 /nfs/dbraw/zinc/02/70/89/1080027089.db2.gz SHSOGJAOSNVCAM-PMACEKPBSA-N 1 0 424.586 2.720 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000806813967 1080027402 /nfs/dbraw/zinc/02/74/02/1080027402.db2.gz FZTYFHHIMURANE-WBADGQHESA-N 1 0 413.562 2.844 20 0 HFADRO C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806814889 1080028168 /nfs/dbraw/zinc/02/81/68/1080028168.db2.gz XKVVQJSCRVNJJU-LPHOPBHVSA-N 1 0 416.570 2.665 20 0 HFADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000806930151 1080097546 /nfs/dbraw/zinc/09/75/46/1080097546.db2.gz FLBBCDIYIQVWAE-IOJLRTSASA-N 1 0 405.587 2.763 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)C1 ZINC000806897396 1080104424 /nfs/dbraw/zinc/10/44/24/1080104424.db2.gz JNQXBXRLTYJBNS-ROUUACIJSA-N 1 0 401.551 2.966 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000806902684 1080109128 /nfs/dbraw/zinc/10/91/28/1080109128.db2.gz BLXFJMZSTYNLPN-IBGZPJMESA-N 1 0 412.575 2.528 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000806935067 1080143851 /nfs/dbraw/zinc/14/38/51/1080143851.db2.gz UFLCYZVMOHENMI-OAQYLSRUSA-N 1 0 403.567 2.864 20 0 HFADRO NC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1Cl ZINC000806989712 1080168708 /nfs/dbraw/zinc/16/87/08/1080168708.db2.gz CIWBPCHJDIASHB-QFIPXVFZSA-N 1 0 412.921 2.962 20 0 HFADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC12OCCO2 ZINC000807006476 1080184191 /nfs/dbraw/zinc/18/41/91/1080184191.db2.gz QNWOHTLCFHOESY-OAQYLSRUSA-N 1 0 402.535 2.717 20 0 HFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)CC1 ZINC000807007328 1080206738 /nfs/dbraw/zinc/20/67/38/1080206738.db2.gz GDQSEZOLDLUPLV-FXAWDEMLSA-N 1 0 417.554 2.869 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807068707 1080250699 /nfs/dbraw/zinc/25/06/99/1080250699.db2.gz OEEAJZYFDLKVAY-FQEVSTJZSA-N 1 0 417.554 2.998 20 0 HFADRO NC(=O)c1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1Cl ZINC000807086009 1080262195 /nfs/dbraw/zinc/26/21/95/1080262195.db2.gz PAQJZLNRWDSWNL-APWZRJJASA-N 1 0 412.921 2.961 20 0 HFADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@H]1c1ccccc1 ZINC000807088251 1080266604 /nfs/dbraw/zinc/26/66/04/1080266604.db2.gz NERQWHNUAFJPPB-RJGXRXQPSA-N 1 0 421.541 2.832 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)cc1 ZINC000807089214 1080268764 /nfs/dbraw/zinc/26/87/64/1080268764.db2.gz WXIPPGGTXBLBRM-HSZRJFAPSA-N 1 0 423.557 2.691 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000807092453 1080272337 /nfs/dbraw/zinc/27/23/37/1080272337.db2.gz VPZJSQTZUIDAML-FGZHOGPDSA-N 1 0 413.562 2.747 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000807092455 1080272471 /nfs/dbraw/zinc/27/24/71/1080272471.db2.gz VPZJSQTZUIDAML-YADHBBJMSA-N 1 0 413.562 2.747 20 0 HFADRO CON(Cc1ccccc1)C(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807113769 1080290559 /nfs/dbraw/zinc/29/05/59/1080290559.db2.gz GJMMVQQWKVZBBX-NGRWLJPCSA-N 1 0 409.530 2.849 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000807116705 1080292510 /nfs/dbraw/zinc/29/25/10/1080292510.db2.gz PMAYOVGZYSHJBX-FQEVSTJZSA-N 1 0 421.586 2.610 20 0 HFADRO C[C@@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807117160 1080293340 /nfs/dbraw/zinc/29/33/40/1080293340.db2.gz UWRFZIZTNCQJKH-CRAIPNDOSA-N 1 0 417.554 2.663 20 0 HFADRO C[C@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807117166 1080293450 /nfs/dbraw/zinc/29/34/50/1080293450.db2.gz UWRFZIZTNCQJKH-YJBOKZPZSA-N 1 0 417.554 2.663 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000807149136 1080302801 /nfs/dbraw/zinc/30/28/01/1080302801.db2.gz SZTAHAJNTAXAOH-XKGZKEIXSA-N 1 0 420.554 2.854 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)cc2)CC1 ZINC000807193445 1080343012 /nfs/dbraw/zinc/34/30/12/1080343012.db2.gz RFQJPFIRKGBOJQ-QGZVFWFLSA-N 1 0 412.456 2.709 20 0 HFADRO CN(Cc1ncc(Cl)n1C)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000807207912 1080357838 /nfs/dbraw/zinc/35/78/38/1080357838.db2.gz CZZVGZHEDUCNHA-UHFFFAOYSA-N 1 0 400.914 2.771 20 0 HFADRO CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000807181670 1080375264 /nfs/dbraw/zinc/37/52/64/1080375264.db2.gz SFUAVZJVYPROMY-OALUTQOASA-N 1 0 412.575 2.530 20 0 HFADRO Cc1nn(C)c2nc(C)c(CCC(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)c(C)c12 ZINC000747376429 1080376482 /nfs/dbraw/zinc/37/64/82/1080376482.db2.gz RXRQSZRNIGBJHQ-MISYRCLQSA-N 1 0 413.566 2.536 20 0 HFADRO CN1CCc2nc3ccccc3c(C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)c2C1 ZINC000747377793 1080380176 /nfs/dbraw/zinc/38/01/76/1080380176.db2.gz ZUCHYGDILUTRDG-WQTXXOFMSA-N 1 0 408.546 2.546 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1 ZINC000807215317 1080380450 /nfs/dbraw/zinc/38/04/50/1080380450.db2.gz UDBJBPNMDXVEAF-KRWDZBQOSA-N 1 0 406.502 2.845 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000807247534 1080404551 /nfs/dbraw/zinc/40/45/51/1080404551.db2.gz XRZGHBBSLPFNIV-SFTDATJTSA-N 1 0 417.594 2.577 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CSCN3C(C)=O)cc2Cl)CC1 ZINC000747380184 1080413726 /nfs/dbraw/zinc/41/37/26/1080413726.db2.gz PZBGIZIOKQZZTP-GOSISDBHSA-N 1 0 410.971 2.732 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1cnc(C)c(C(=O)OC)n1 ZINC001170521066 1080442354 /nfs/dbraw/zinc/44/23/54/1080442354.db2.gz FOBBKZJHLALPQG-UHFFFAOYSA-N 1 0 410.474 2.707 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000807296370 1080489476 /nfs/dbraw/zinc/48/94/76/1080489476.db2.gz YRLLIEKFHDRYGX-QFIPXVFZSA-N 1 0 409.530 2.676 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccco1 ZINC000807310182 1080502738 /nfs/dbraw/zinc/50/27/38/1080502738.db2.gz BHFYXSJQJYCWHT-SUMWQHHRSA-N 1 0 411.462 2.822 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)OC)c(F)c1)c1ccco1 ZINC000807310431 1080503506 /nfs/dbraw/zinc/50/35/06/1080503506.db2.gz IKWFPXWIARVGHN-LRDDRELGSA-N 1 0 420.441 2.781 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C)nc1Br)c1ccco1 ZINC000807312809 1080506116 /nfs/dbraw/zinc/50/61/16/1080506116.db2.gz TUSFZLMBPDJMND-SMDDNHRTSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1)c1ccco1 ZINC000807313060 1080506161 /nfs/dbraw/zinc/50/61/61/1080506161.db2.gz VZOLVVTWZFHTPR-LRDDRELGSA-N 1 0 420.441 2.781 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCCCc2ccccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000807314271 1080507112 /nfs/dbraw/zinc/50/71/12/1080507112.db2.gz ADZBREJMSXKDJI-DEOSSOPVSA-N 1 0 411.521 2.903 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000807334692 1080534827 /nfs/dbraw/zinc/53/48/27/1080534827.db2.gz SIJGUOZTGPINGZ-UHFFFAOYSA-N 1 0 419.526 2.702 20 0 HFADRO Cc1ccc([C@@H](O)[C@@H](C)NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000807348440 1080555218 /nfs/dbraw/zinc/55/52/18/1080555218.db2.gz VMIDMLCXIYFSGY-UTKZUKDTSA-N 1 0 413.518 2.502 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CSC[C@H]3C)cc2Cl)CC1 ZINC000807349908 1080555793 /nfs/dbraw/zinc/55/57/93/1080555793.db2.gz NYVGOVRYVKEESE-PBHICJAKSA-N 1 0 424.998 2.678 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000807394220 1080560937 /nfs/dbraw/zinc/56/09/37/1080560937.db2.gz DLHBSNZGBZNTFU-HNNXBMFYSA-N 1 0 417.897 2.851 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000747393484 1080563126 /nfs/dbraw/zinc/56/31/26/1080563126.db2.gz FIKDBAPHXYRQGA-FGZHOGPDSA-N 1 0 403.542 2.940 20 0 HFADRO CC1(C)CC(NC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000747394787 1080569840 /nfs/dbraw/zinc/56/98/40/1080569840.db2.gz SZLAKAGHIDXULF-UHFFFAOYSA-N 1 0 402.539 2.960 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000805282003 1080571897 /nfs/dbraw/zinc/57/18/97/1080571897.db2.gz VCUZKCFMBJZORF-KRWDZBQOSA-N 1 0 410.559 2.769 20 0 HFADRO Cc1cnc(C(=O)OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000807428022 1080588928 /nfs/dbraw/zinc/58/89/28/1080588928.db2.gz QVUVTKPERQLGFT-GOSISDBHSA-N 1 0 402.882 2.549 20 0 HFADRO COc1cc(OC)cc([C@H](O)CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000807400011 1080595269 /nfs/dbraw/zinc/59/52/69/1080595269.db2.gz WFFGYWOLVOFRHN-IPHXSNPTSA-N 1 0 401.507 2.728 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1F ZINC000807413352 1080608738 /nfs/dbraw/zinc/60/87/38/1080608738.db2.gz LHVQLZSWNLYBAY-UHFFFAOYSA-N 1 0 420.441 2.516 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000807413183 1080608857 /nfs/dbraw/zinc/60/88/57/1080608857.db2.gz FEDLHYDPRNGDEA-UHFFFAOYSA-N 1 0 416.497 2.938 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccnn1C1CCCCC1 ZINC000807413459 1080612482 /nfs/dbraw/zinc/61/24/82/1080612482.db2.gz OYTASCKTDKJLGU-UHFFFAOYSA-N 1 0 401.511 2.900 20 0 HFADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc(OC)c1C(C)C ZINC000807453295 1080632783 /nfs/dbraw/zinc/63/27/83/1080632783.db2.gz JEOXUTMKEOEBFE-DOTOQJQBSA-N 1 0 403.523 2.851 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807452929 1080633526 /nfs/dbraw/zinc/63/35/26/1080633526.db2.gz IKLZGBHVAREYDL-GWCFXTLKSA-N 1 0 415.719 2.521 20 0 HFADRO C[N@@H+]1CCN(CCNC(=O)c2nc(Br)sc2C2CC2)CC1(C)C ZINC000807472785 1080654384 /nfs/dbraw/zinc/65/43/84/1080654384.db2.gz PFXFDQNOTPLPOY-UHFFFAOYSA-N 1 0 401.374 2.539 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)c1ccco1 ZINC000807441946 1080663472 /nfs/dbraw/zinc/66/34/72/1080663472.db2.gz SBDLDYKHXIZWPK-IMBTUZDBSA-N 1 0 403.527 2.598 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)c1ccco1 ZINC000807442968 1080663908 /nfs/dbraw/zinc/66/39/08/1080663908.db2.gz UTQGLXCPNKXOLB-MJBXVCDLSA-N 1 0 404.433 2.513 20 0 HFADRO COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000807486762 1080670211 /nfs/dbraw/zinc/67/02/11/1080670211.db2.gz WGEQIPURMFJUCR-KRWDZBQOSA-N 1 0 421.856 2.623 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807497460 1080691416 /nfs/dbraw/zinc/69/14/16/1080691416.db2.gz AXAXHDOUKGJLHQ-CPJSRVTESA-N 1 0 423.557 2.523 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000807503239 1080701342 /nfs/dbraw/zinc/70/13/42/1080701342.db2.gz AMOUPZSTXVWHIF-YKSBVNFPSA-N 1 0 415.578 2.515 20 0 HFADRO C[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC(c2ccccc2Cl)=NO1 ZINC000807484110 1080739278 /nfs/dbraw/zinc/73/92/78/1080739278.db2.gz GTHONUFGXLXNGH-IERDGZPVSA-N 1 0 405.926 2.794 20 0 HFADRO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3ccc(C4(O)COC4)cc3)cc2)CC1 ZINC000807532266 1080744457 /nfs/dbraw/zinc/74/44/57/1080744457.db2.gz YKJKTTJPRYCREA-UHFFFAOYSA-N 1 0 423.513 2.714 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1C ZINC000807544563 1080761754 /nfs/dbraw/zinc/76/17/54/1080761754.db2.gz VWKLQKNYDWRFJR-IERDGZPVSA-N 1 0 408.502 2.671 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC1 ZINC000807524180 1080776791 /nfs/dbraw/zinc/77/67/91/1080776791.db2.gz XAOHOCNSJAIZKS-UHFFFAOYSA-N 1 0 404.555 2.671 20 0 HFADRO Cc1ccc(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c(Cl)n1 ZINC000807573682 1080786395 /nfs/dbraw/zinc/78/63/95/1080786395.db2.gz YJLVIVPTMHJAEZ-UHFFFAOYSA-N 1 0 420.985 2.817 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)[C@H](C)C1 ZINC000747406065 1080792746 /nfs/dbraw/zinc/79/27/46/1080792746.db2.gz WFDKAPWNYQQGNQ-CRAIPNDOSA-N 1 0 417.579 2.821 20 0 HFADRO Cn1cc(/C=C\C(=O)OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000807581179 1080793214 /nfs/dbraw/zinc/79/32/14/1080793214.db2.gz QLZPVXIPIRBHSQ-QWUACUGRSA-N 1 0 416.909 2.583 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)[C@@H]1c1cccs1 ZINC000807582913 1080795106 /nfs/dbraw/zinc/79/51/06/1080795106.db2.gz WJQAYDHRKQPCDQ-MBOZVWFJSA-N 1 0 412.559 2.658 20 0 HFADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000604766160 1126099765 /nfs/dbraw/zinc/09/97/65/1126099765.db2.gz MJENKUBSQCFTOQ-SJORKVTESA-N 1 0 402.438 2.682 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001308113329 1126162921 /nfs/dbraw/zinc/16/29/21/1126162921.db2.gz DJDYSHBPEDZEKH-IBGZPJMESA-N 1 0 421.423 2.773 20 0 HFADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@H](CO)Cc3ccc(F)cc3)on2)C1 ZINC001560798447 1126214105 /nfs/dbraw/zinc/21/41/05/1126214105.db2.gz HFPMLUXJIOBNTF-KRWDZBQOSA-N 1 0 405.470 2.841 20 0 HFADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000048353753 524885771 /nfs/dbraw/zinc/88/57/71/524885771.db2.gz OYHFMODSIJTTHP-YHDSQAASSA-N 1 0 423.557 2.732 20 0 HFADRO CN1C(=O)C[C@@H](C[NH2+]Cc2cccc3c2OCO3)[C@@H]1c1cnn(Cc2ccccc2)c1 ZINC000328607766 569419061 /nfs/dbraw/zinc/41/90/61/569419061.db2.gz XAKHQYIGFBAUTB-WMZHIEFXSA-N 1 0 418.497 2.969 20 0 HFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164389114 718815034 /nfs/dbraw/zinc/81/50/34/718815034.db2.gz SZODXPQFSRBGBE-ZDUSSCGKSA-N 1 0 412.790 2.890 20 0 HFADRO CSc1cnc(Cl)c(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001164415833 718885190 /nfs/dbraw/zinc/88/51/90/718885190.db2.gz NGCSPMRHRBIKQW-UHFFFAOYSA-N 1 0 400.886 2.692 20 0 HFADRO [NH3+][C@]12C[C@H]1CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1)C2 ZINC001164418558 718894394 /nfs/dbraw/zinc/89/43/94/718894394.db2.gz DGDGAGQPPZFPMQ-ACJLOTCBSA-N 1 0 408.836 2.959 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164425263 718939536 /nfs/dbraw/zinc/93/95/36/718939536.db2.gz VHOBIJPDZUJJNN-CABCVRRESA-N 1 0 408.836 2.927 20 0 HFADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1Cl ZINC001164425874 718939669 /nfs/dbraw/zinc/93/96/69/718939669.db2.gz XNJYRTPGICKVOV-CABCVRRESA-N 1 0 408.836 2.927 20 0 HFADRO CS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)cnc1Cl ZINC001164429896 718948424 /nfs/dbraw/zinc/94/84/24/718948424.db2.gz QMGXCVCCBZQUES-HUUCEWRRSA-N 1 0 413.877 2.759 20 0 HFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164614155 719014284 /nfs/dbraw/zinc/01/42/84/719014284.db2.gz DARXGWBDOYADTG-HERUPUMHSA-N 1 0 414.815 2.697 20 0 HFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164619669 719018481 /nfs/dbraw/zinc/01/84/81/719018481.db2.gz WRPUDRMHWBUQGL-LEWSCRJBSA-N 1 0 412.824 2.665 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(COC)nc(SC)n3)CC2)CC1 ZINC001164614426 719025754 /nfs/dbraw/zinc/02/57/54/719025754.db2.gz SMDNGYOMYSPLGV-UHFFFAOYSA-N 1 0 408.568 2.589 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(N)=O)cc4ccccc43)CC2)CC1 ZINC001164616482 719032558 /nfs/dbraw/zinc/03/25/58/719032558.db2.gz DHRFWFCWJVBYPU-UHFFFAOYSA-N 1 0 410.518 2.578 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164635593 719226564 /nfs/dbraw/zinc/22/65/64/719226564.db2.gz JFUYCKDUQIDRFK-YHUYYLMFSA-N 1 0 422.524 2.755 20 0 HFADRO CN(C[C@@H](O)CO)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164666777 719365895 /nfs/dbraw/zinc/36/58/95/719365895.db2.gz HKVGNCQGGPSSDR-QGZVFWFLSA-N 1 0 417.937 2.546 20 0 HFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164673766 719443692 /nfs/dbraw/zinc/44/36/92/719443692.db2.gz UEJILIYTPFRYTG-IRXDYDNUSA-N 1 0 413.591 2.685 20 0 HFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)C[C@@H]21 ZINC001164665756 719484206 /nfs/dbraw/zinc/48/42/06/719484206.db2.gz BHADVBLSQYSDJZ-IRXDYDNUSA-N 1 0 408.893 2.773 20 0 HFADRO Cn1ncc2c1CN(c1ccc(C[N@H+](C)C3CC3)cn1)C[C@H]2COc1cccnc1 ZINC001164683053 719600298 /nfs/dbraw/zinc/60/02/98/719600298.db2.gz DKWOFXQVLRJRNG-SFHVURJKSA-N 1 0 404.518 2.987 20 0 HFADRO CC(C)N(C)Cc1nn(-c2ccc(-c3ccc4c(c3)OCCO4)nn2)c2c1CC[NH2+]C2 ZINC001164680534 719641644 /nfs/dbraw/zinc/64/16/44/719641644.db2.gz UYIKZMNLTMONQZ-UHFFFAOYSA-N 1 0 420.517 2.586 20 0 HFADRO COc1nccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684462 719656359 /nfs/dbraw/zinc/65/63/59/719656359.db2.gz XNCSKIXLIJQHFQ-GOSISDBHSA-N 1 0 423.561 2.579 20 0 HFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(N)cn3)CC2)c2ccccc21 ZINC001164680293 719659581 /nfs/dbraw/zinc/65/95/81/719659581.db2.gz FAHJYZOSQQIUOA-SFHVURJKSA-N 1 0 407.562 2.757 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164683569 719712785 /nfs/dbraw/zinc/71/27/85/719712785.db2.gz LADFDSBUYSQIQC-UHFFFAOYSA-N 1 0 409.868 2.742 20 0 HFADRO CCOC(=O)c1cc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc2ccccc21 ZINC001164686754 719717968 /nfs/dbraw/zinc/71/79/68/719717968.db2.gz RCDMRMCEXZNZJU-UHFFFAOYSA-N 1 0 410.518 2.592 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc(-c3c[nH]c4ccccc43)n1)CC2 ZINC001164687249 719719260 /nfs/dbraw/zinc/71/92/60/719719260.db2.gz VJAWWXHWGGPLTD-UHFFFAOYSA-N 1 0 404.518 2.806 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164689886 719745143 /nfs/dbraw/zinc/74/51/43/719745143.db2.gz NRPHBPMIULNYLH-UHFFFAOYSA-N 1 0 412.509 2.981 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164690268 719751190 /nfs/dbraw/zinc/75/11/90/719751190.db2.gz XSMIYOZSRUMBDN-UHFFFAOYSA-N 1 0 407.440 2.887 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)ncc2C(N)=O)CC3)cs1 ZINC001164690864 719806126 /nfs/dbraw/zinc/80/61/26/719806126.db2.gz BHIJQFDCOIYMHQ-UHFFFAOYSA-N 1 0 406.943 2.629 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4c2NC(=O)CS4)CC3)cs1 ZINC001164698979 719816483 /nfs/dbraw/zinc/81/64/83/719816483.db2.gz GAYLUWRULQHWFK-UHFFFAOYSA-N 1 0 416.576 2.921 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@H]2C1 ZINC001164704295 719885535 /nfs/dbraw/zinc/88/55/35/719885535.db2.gz UZYLFYSMYNMVSX-VNQPRFMTSA-N 1 0 401.898 2.593 20 0 HFADRO C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21 ZINC001164697087 719892850 /nfs/dbraw/zinc/89/28/50/719892850.db2.gz JMLQBDILSDMMOE-OAHLLOKOSA-N 1 0 413.547 2.855 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(C(=O)OC)ccc31)C2 ZINC001164806329 720081682 /nfs/dbraw/zinc/08/16/82/720081682.db2.gz BNWTWCYKRZUHBS-JPYJTQIMSA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3ccc(C(=O)OC)cc3n1)C2 ZINC001164815714 720081884 /nfs/dbraw/zinc/08/18/84/720081884.db2.gz ZERJTXFCXAYCAJ-XXBNENTESA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(C(=O)OC)ccc3n1)C2 ZINC001164812313 720083997 /nfs/dbraw/zinc/08/39/97/720083997.db2.gz QOOJAZSQNRLYPZ-AUSIDOKSSA-N 1 0 410.518 2.601 20 0 HFADRO CCN(C)c1ccnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164712019 720092326 /nfs/dbraw/zinc/09/23/26/720092326.db2.gz UDHDZQLLNYWHSR-FQEVSTJZSA-N 1 0 410.566 2.835 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)OC)CC2 ZINC001164709560 720101257 /nfs/dbraw/zinc/10/12/57/720101257.db2.gz AQYIDAXQWVAWPU-IBGZPJMESA-N 1 0 410.518 2.771 20 0 HFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164809994 720113704 /nfs/dbraw/zinc/11/37/04/720113704.db2.gz JCOJWWNAFHJRAW-CYFREDJKSA-N 1 0 424.545 2.991 20 0 HFADRO CSc1cc(Cl)ncc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164720171 720177178 /nfs/dbraw/zinc/17/71/78/720177178.db2.gz ZWKOMRLFKPBPHN-MRXNPFEDSA-N 1 0 422.986 2.802 20 0 HFADRO Cc1cc(Cl)c(C)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716597 720189643 /nfs/dbraw/zinc/18/96/43/720189643.db2.gz PVKGTVFRRRVNPM-GOSISDBHSA-N 1 0 404.946 2.697 20 0 HFADRO Cc1cc(Cl)c(C)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716600 720189852 /nfs/dbraw/zinc/18/98/52/720189852.db2.gz PVKGTVFRRRVNPM-SFHVURJKSA-N 1 0 404.946 2.697 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164811407 720200403 /nfs/dbraw/zinc/20/04/03/720200403.db2.gz HEEVJYMACMBBRA-KBXCAEBGSA-N 1 0 416.900 2.868 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164812879 720202079 /nfs/dbraw/zinc/20/20/79/720202079.db2.gz MTEYCMPQSJRFQB-KBXCAEBGSA-N 1 0 416.900 2.868 20 0 HFADRO CSc1cnc(Cl)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164812857 720232996 /nfs/dbraw/zinc/23/29/96/720232996.db2.gz JGZHYJPJKBTHTM-UHFFFAOYSA-N 1 0 408.959 2.659 20 0 HFADRO CC(C)Sc1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nn1 ZINC001164814562 720239756 /nfs/dbraw/zinc/23/97/56/720239756.db2.gz YSWQOMWQBFWWCR-UHFFFAOYSA-N 1 0 402.568 2.784 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(COC3CCC3)cn1)CCC2 ZINC001164818373 720244622 /nfs/dbraw/zinc/24/46/22/720244622.db2.gz YXIOOTWHWSSQRM-UHFFFAOYSA-N 1 0 411.550 2.958 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3[nH]cc(F)c32)CC1 ZINC001164817585 720288720 /nfs/dbraw/zinc/28/87/20/720288720.db2.gz DQOLFGHJROLELK-HUUCEWRRSA-N 1 0 420.920 2.662 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CCC3)CC1 ZINC001164828294 720299392 /nfs/dbraw/zinc/29/93/92/720299392.db2.gz ZWLKLHHOPLZUCY-ROUUACIJSA-N 1 0 403.958 2.530 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3ccoc32)CC1 ZINC001164820531 720300502 /nfs/dbraw/zinc/30/05/02/720300502.db2.gz HINUFFHVAJWCDP-JKSUJKDBSA-N 1 0 403.914 2.788 20 0 HFADRO COc1ccc2cnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164820170 720309446 /nfs/dbraw/zinc/30/94/46/720309446.db2.gz GYDABEHYJMGPLD-SFTDATJTSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3ncsc32)CC1 ZINC001164829068 720319841 /nfs/dbraw/zinc/31/98/41/720319841.db2.gz LQJVVEUWSUYXNK-KBPBESRZSA-N 1 0 420.970 2.651 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3cc(Cl)cnc32)CC1 ZINC001164828497 720324239 /nfs/dbraw/zinc/32/42/39/720324239.db2.gz JWXAJBRUZGLANN-MSOLQXFVSA-N 1 0 414.941 2.590 20 0 HFADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccncc2)n1 ZINC001164822748 720335978 /nfs/dbraw/zinc/33/59/78/720335978.db2.gz FDUMRHOLRAQNAI-LEWJYISDSA-N 1 0 420.561 2.759 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccnc(Cc3ccccc3)n2)CC1 ZINC001164827461 720344393 /nfs/dbraw/zinc/34/43/93/720344393.db2.gz LRNQIMJQAKFRIA-FCHUYYIVSA-N 1 0 419.573 2.979 20 0 HFADRO CCOc1cc[nH+]c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)c1 ZINC001164824783 720368941 /nfs/dbraw/zinc/36/89/41/720368941.db2.gz KYOKFGWCBVQVTB-UHFFFAOYSA-N 1 0 415.563 2.558 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1C(=O)OCC ZINC001164725780 720484998 /nfs/dbraw/zinc/48/49/98/720484998.db2.gz KEEHIBQTOLUMHI-VQTJNVASSA-N 1 0 424.501 2.683 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CCCC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840619 720506697 /nfs/dbraw/zinc/50/66/97/720506697.db2.gz WWOPXMGMPDEXAU-RZUBCFFCSA-N 1 0 422.577 2.892 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C1 ZINC001164733311 720521734 /nfs/dbraw/zinc/52/17/34/720521734.db2.gz IVTZKPTVHUMARV-NSHDSACASA-N 1 0 405.280 2.809 20 0 HFADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(C(N)=O)c(Cl)n1 ZINC001164736035 720542603 /nfs/dbraw/zinc/54/26/03/720542603.db2.gz UNUJMGOLKYFCQQ-GFCCVEGCSA-N 1 0 416.900 2.895 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(N(C)C)n3)CC[C@@H]21 ZINC001164833609 720552818 /nfs/dbraw/zinc/55/28/18/720552818.db2.gz APCPKJJISSTEDQ-ULQDDVLXSA-N 1 0 403.962 2.770 20 0 HFADRO CCOC(=O)c1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164835823 720555212 /nfs/dbraw/zinc/55/52/12/720555212.db2.gz IALSGIUGFUQGKX-CEXWTWQISA-N 1 0 412.538 2.536 20 0 HFADRO COC(=O)C[C@@H](c1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1)C1CC1 ZINC001164736580 720577931 /nfs/dbraw/zinc/57/79/31/720577931.db2.gz NTYATQBUCLFRAU-OAQYLSRUSA-N 1 0 423.561 2.993 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc-2n1 ZINC001164836683 720583036 /nfs/dbraw/zinc/58/30/36/720583036.db2.gz GJBABZWLXHWAKQ-LVCYWYKZSA-N 1 0 422.533 2.924 20 0 HFADRO NC(=S)c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c2sccc21 ZINC001164745717 720595659 /nfs/dbraw/zinc/59/56/59/720595659.db2.gz VUPUKKHQSKJJEC-UHFFFAOYSA-N 1 0 412.588 2.786 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ncn4C3CC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841512 720612405 /nfs/dbraw/zinc/61/24/05/720612405.db2.gz SLFWPBNIWCNRHZ-YTQUADARSA-N 1 0 406.538 2.736 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(N)=O)cc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842217 720615355 /nfs/dbraw/zinc/61/53/55/720615355.db2.gz UQFOKAWQCCKYCH-XQBPLPMBSA-N 1 0 418.545 2.908 20 0 HFADRO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838217 720645191 /nfs/dbraw/zinc/64/51/91/720645191.db2.gz GIFYUTCIILOZMT-PWRODBHTSA-N 1 0 411.550 2.762 20 0 HFADRO c1[nH]c2ccccc2c1-c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736691 720689540 /nfs/dbraw/zinc/68/95/40/720689540.db2.gz ALDQGKIZRJHVBH-IRXDYDNUSA-N 1 0 413.485 2.757 20 0 HFADRO Clc1ncc(-c2ccccc2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737574 720701288 /nfs/dbraw/zinc/70/12/88/720701288.db2.gz GJBFLGKVYKCXTM-DLBZAZTESA-N 1 0 408.893 2.929 20 0 HFADRO Cc1nc2c3ccccc3oc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739491 720726500 /nfs/dbraw/zinc/72/65/00/720726500.db2.gz IYABVENGAJURBR-CVEARBPZSA-N 1 0 402.458 2.816 20 0 HFADRO Clc1cc(Cc2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743491 720738838 /nfs/dbraw/zinc/73/88/38/720738838.db2.gz QMQGGYAPOSSDTC-MOPGFXCFSA-N 1 0 422.920 2.853 20 0 HFADRO c1ccc(COc2cccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164739890 720739328 /nfs/dbraw/zinc/73/93/28/720739328.db2.gz JIZBLHGHFYNIBJ-PMACEKPBSA-N 1 0 403.486 2.793 20 0 HFADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164739303 720758827 /nfs/dbraw/zinc/75/88/27/720758827.db2.gz IDEYOISCGKFOPK-HUUCEWRRSA-N 1 0 408.531 2.620 20 0 HFADRO Clc1cccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164738695 720765619 /nfs/dbraw/zinc/76/56/19/720765619.db2.gz GWDHRONNXBAGIL-ZWKOTPCHSA-N 1 0 408.893 2.929 20 0 HFADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749278 720801525 /nfs/dbraw/zinc/80/15/25/720801525.db2.gz SXTWWNSCOLYWPK-OALUTQOASA-N 1 0 406.465 2.723 20 0 HFADRO Clc1nc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C2CC2)n1 ZINC001164746630 720803575 /nfs/dbraw/zinc/80/35/75/720803575.db2.gz MCXCKNPPTUQEGB-CHWSQXEVSA-N 1 0 407.305 2.793 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741348 720808144 /nfs/dbraw/zinc/80/81/44/720808144.db2.gz BBDKKKHJGGEDQR-VAMGGRTRSA-N 1 0 410.570 2.576 20 0 HFADRO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748271 720808795 /nfs/dbraw/zinc/80/87/95/720808795.db2.gz QFOGFWFBJYYLQA-OWCLPIDISA-N 1 0 423.899 2.646 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2cnccc12 ZINC001164745590 720815107 /nfs/dbraw/zinc/81/51/07/720815107.db2.gz WYUPPMUIYBYVED-FRQCXROJSA-N 1 0 424.940 2.649 20 0 HFADRO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739205 720818939 /nfs/dbraw/zinc/81/89/39/720818939.db2.gz HRYJOIGHKGTBQF-SVFBPWRDSA-N 1 0 403.534 2.909 20 0 HFADRO COc1ccc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164741786 720821300 /nfs/dbraw/zinc/82/13/00/720821300.db2.gz OFTWBRHPOOHGRZ-XQBPLPMBSA-N 1 0 419.533 2.609 20 0 HFADRO Cc1cccc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164738763 720824426 /nfs/dbraw/zinc/82/44/26/720824426.db2.gz GGTDXCMYRRTPDY-QKNQBKEWSA-N 1 0 403.534 2.909 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2occc21 ZINC001164742957 720838217 /nfs/dbraw/zinc/83/82/17/720838217.db2.gz HOURRFZODSEZNF-ZMSDIMECSA-N 1 0 413.913 2.847 20 0 HFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748374 720840369 /nfs/dbraw/zinc/84/03/69/720840369.db2.gz UNOTVBRXVDZXGZ-HSALFYBXSA-N 1 0 424.549 2.538 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1Cl ZINC001164751845 720841306 /nfs/dbraw/zinc/84/13/06/720841306.db2.gz ZDUHATVSYJFMHE-XYJFISCASA-N 1 0 402.930 2.715 20 0 HFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2s1 ZINC001164748871 720841775 /nfs/dbraw/zinc/84/17/75/720841775.db2.gz VAYCHSYTGFMGDZ-ZHALLVOQSA-N 1 0 409.563 2.971 20 0 HFADRO Cc1csc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164741679 720843137 /nfs/dbraw/zinc/84/31/37/720843137.db2.gz FNLHQICGCZNXAL-FGTMMUONSA-N 1 0 409.563 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@H]2C1 ZINC001164849296 720849390 /nfs/dbraw/zinc/84/93/90/720849390.db2.gz BYGQOCCNFUFBRU-RBUKOAKNSA-N 1 0 416.953 2.894 20 0 HFADRO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747292 720850544 /nfs/dbraw/zinc/85/05/44/720850544.db2.gz QCQZTGYIOPADEL-LZLYRXPVSA-N 1 0 401.946 2.663 20 0 HFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccccn5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746121 720852249 /nfs/dbraw/zinc/85/22/49/720852249.db2.gz FSIBXMAHTSYCMV-XQBPLPMBSA-N 1 0 416.533 2.510 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(-c4c[nH]c5ccccc54)n3)CC[C@H]2C1 ZINC001164857481 720852515 /nfs/dbraw/zinc/85/25/15/720852515.db2.gz QYYAEBQWGJMJOF-JTSKRJEESA-N 1 0 407.518 2.798 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@@H]2C1 ZINC001164860264 720855886 /nfs/dbraw/zinc/85/58/86/720855886.db2.gz WDYOOFSZATTWTB-MJGOQNOKSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@H]2C1 ZINC001164860266 720856236 /nfs/dbraw/zinc/85/62/36/720856236.db2.gz WDYOOFSZATTWTB-PKOBYXMFSA-N 1 0 402.926 2.971 20 0 HFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164858178 720865001 /nfs/dbraw/zinc/86/50/01/720865001.db2.gz RMMKVPRXJLPMQM-GHTZIAJQSA-N 1 0 413.518 2.585 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164854538 720869396 /nfs/dbraw/zinc/86/93/96/720869396.db2.gz KJQIJAOYARURGI-VQIMIIECSA-N 1 0 402.470 2.582 20 0 HFADRO CCN(c1ccccc1)c1cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)ncn1 ZINC001164853395 720884083 /nfs/dbraw/zinc/88/40/83/720884083.db2.gz CMOZIVZPXCREJS-FPOVZHCZSA-N 1 0 411.550 2.808 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@@H]2C1 ZINC001164858451 720885927 /nfs/dbraw/zinc/88/59/27/720885927.db2.gz KXSBZDAZNIRSQF-CXAGYDPISA-N 1 0 410.440 2.880 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ncc1N1CCOCC1)[C@@H]2C ZINC001164857771 720965670 /nfs/dbraw/zinc/96/56/70/720965670.db2.gz HEIXFSMEFBVLOQ-OAHLLOKOSA-N 1 0 419.961 2.585 20 0 HFADRO CCOC(=O)c1ncnc(Cl)c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858083 720994168 /nfs/dbraw/zinc/99/41/68/720994168.db2.gz GRUKYHSGFVEFSZ-ZDUSSCGKSA-N 1 0 406.918 2.925 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)[C@H]2C ZINC001164859558 721021268 /nfs/dbraw/zinc/02/12/68/721021268.db2.gz JEXZKDXFQCIPSP-HOCLYGCPSA-N 1 0 420.945 2.916 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@@H](OCc5ccccn5)CO4)C3)n2)CC1 ZINC001164760802 721029410 /nfs/dbraw/zinc/02/94/10/721029410.db2.gz DIJAPCZIGLMZEZ-QPPBQGQZSA-N 1 0 423.561 2.573 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868743 721044516 /nfs/dbraw/zinc/04/45/16/721044516.db2.gz QENZHPQFCUYFDJ-SJORKVTESA-N 1 0 416.909 2.786 20 0 HFADRO COc1ccc2nc(Cl)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762500 721072283 /nfs/dbraw/zinc/07/22/83/721072283.db2.gz FDGWUQQNEMPXKX-JKSUJKDBSA-N 1 0 412.925 2.984 20 0 HFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164863824 721095184 /nfs/dbraw/zinc/09/51/84/721095184.db2.gz DHRILTNJKYUJMJ-ZWKOTPCHSA-N 1 0 416.909 2.786 20 0 HFADRO CCOC(=O)c1c(C)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865478 721103092 /nfs/dbraw/zinc/10/30/92/721103092.db2.gz LOXNGRDYKWSTSG-PMACEKPBSA-N 1 0 410.518 2.750 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@H]3C2)cn1 ZINC001164765726 721106968 /nfs/dbraw/zinc/10/69/68/721106968.db2.gz KHKLVUUUCMAVOH-IAGOWNOFSA-N 1 0 413.526 2.515 20 0 HFADRO COc1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c(Cl)nc2c1 ZINC001164770951 721112306 /nfs/dbraw/zinc/11/23/06/721112306.db2.gz RQCRQLNOLUEIEB-HOTGVXAUSA-N 1 0 412.925 2.984 20 0 HFADRO CCOC(=O)/C=C/c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865314 721112617 /nfs/dbraw/zinc/11/26/17/721112617.db2.gz JUWLWMSNFHZUPF-JHNWYVAOSA-N 1 0 408.502 2.533 20 0 HFADRO COC(=O)c1ccc2nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c1 ZINC001164768166 721115668 /nfs/dbraw/zinc/11/56/68/721115668.db2.gz NNCGWTXZYCUQNC-UXHICEINSA-N 1 0 405.502 2.713 20 0 HFADRO Fc1ncccc1-c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864372 721115976 /nfs/dbraw/zinc/11/59/76/721115976.db2.gz FPBRMEXUAIUDOF-ROUUACIJSA-N 1 0 406.465 2.552 20 0 HFADRO CCCN(CCC)c1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164862806 721116127 /nfs/dbraw/zinc/11/61/27/721116127.db2.gz AOODYIRWYNSRKB-SFTDATJTSA-N 1 0 410.566 2.978 20 0 HFADRO COc1cc2nc(C)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164763403 721136526 /nfs/dbraw/zinc/13/65/26/721136526.db2.gz FMNWOEPCEPDTPA-QZTJIDSGSA-N 1 0 422.533 2.647 20 0 HFADRO COc1ccc2nc(Cl)cc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2n1 ZINC001164765683 721142775 /nfs/dbraw/zinc/14/27/75/721142775.db2.gz KBJQVIUKBXVWBG-HZPDHXFCSA-N 1 0 412.925 2.984 20 0 HFADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164880290 721149219 /nfs/dbraw/zinc/14/92/19/721149219.db2.gz VSDTVZOGXWQUOF-JKSUJKDBSA-N 1 0 409.868 2.858 20 0 HFADRO CC1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164877652 721149864 /nfs/dbraw/zinc/14/98/64/721149864.db2.gz POKVEQCTTURBDF-SFTDATJTSA-N 1 0 408.550 2.588 20 0 HFADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164880288 721150573 /nfs/dbraw/zinc/15/05/73/721150573.db2.gz VSDTVZOGXWQUOF-HZPDHXFCSA-N 1 0 409.868 2.858 20 0 HFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(C)nc2c1 ZINC001164880454 721161057 /nfs/dbraw/zinc/16/10/57/721161057.db2.gz WTTDJFYPSNXOEF-AZUAARDMSA-N 1 0 405.502 2.822 20 0 HFADRO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164763404 721172382 /nfs/dbraw/zinc/17/23/82/721172382.db2.gz FVHHGPSHEUJJBL-CVEARBPZSA-N 1 0 414.945 2.752 20 0 HFADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164880379 721185234 /nfs/dbraw/zinc/18/52/34/721185234.db2.gz WBQCQSSVHCMLNN-RTWAWAEBSA-N 1 0 409.534 2.920 20 0 HFADRO CCCSc1ncnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1OC ZINC001164866454 721187836 /nfs/dbraw/zinc/18/78/36/721187836.db2.gz ASRWUTOCDKSWDX-QZTJIDSGSA-N 1 0 415.563 2.862 20 0 HFADRO COc1ccccc1-c1ccc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nn1 ZINC001164770786 721202328 /nfs/dbraw/zinc/20/23/28/721202328.db2.gz OKLJVQWPNYJFEH-MOPGFXCFSA-N 1 0 404.518 2.844 20 0 HFADRO COc1ccccc1-c1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164761439 721209219 /nfs/dbraw/zinc/20/92/19/721209219.db2.gz BAHPIWODYGENPC-OALUTQOASA-N 1 0 404.518 2.844 20 0 HFADRO Cc1cccc(N(c2ccc(CN3CCOCC3)cn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778030 721328904 /nfs/dbraw/zinc/32/89/04/721328904.db2.gz TUFFJUWPTMQRTR-ISKFKSNPSA-N 1 0 408.546 2.881 20 0 HFADRO Cc1nc(COC[C@@H]2Cn3nccc3CN(c3cc(C[NH+](C)C)ccn3)C2)cs1 ZINC001164877533 721332382 /nfs/dbraw/zinc/33/23/82/721332382.db2.gz VJLJJWRKVJNVSK-SFHVURJKSA-N 1 0 412.563 2.958 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001164887501 721339540 /nfs/dbraw/zinc/33/95/40/721339540.db2.gz UZVJPLOKGCXHGD-UWJYYQICSA-N 1 0 407.942 2.558 20 0 HFADRO Cc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2[nH]1 ZINC001164780751 721356708 /nfs/dbraw/zinc/35/67/08/721356708.db2.gz HBNZXXTYKPYFSG-JOCHJYFZSA-N 1 0 410.522 2.990 20 0 HFADRO Cc1cc2c(ncnc2N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164885003 721379830 /nfs/dbraw/zinc/37/98/30/721379830.db2.gz BLVPXYPUWIPFJH-UTKZUKDTSA-N 1 0 401.580 2.765 20 0 HFADRO Cc1nc2cc(F)ccc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890897 721397076 /nfs/dbraw/zinc/39/70/76/721397076.db2.gz PCQJWXBDRYXNNX-AUSIDOKSSA-N 1 0 413.541 2.843 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4SCC5)C3)O2)CC1 ZINC001164892446 721401872 /nfs/dbraw/zinc/40/18/72/721401872.db2.gz YGRFTWOQRRYNEC-YWZLYKJASA-N 1 0 424.014 2.544 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886345 721411199 /nfs/dbraw/zinc/41/11/99/721411199.db2.gz JCZVZOWCARBDFN-KXBFYZLASA-N 1 0 412.003 2.617 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CC5)n4)C3)O2)CC1 ZINC001164883488 721415038 /nfs/dbraw/zinc/41/50/38/721415038.db2.gz ACSPWRQXUHEJSN-LAUBAEHRSA-N 1 0 405.974 2.773 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)cn4)C3)O2)CC1 ZINC001164896063 721434107 /nfs/dbraw/zinc/43/41/07/721434107.db2.gz QJYVPWMNXUYENC-XUZZJYLKSA-N 1 0 407.562 2.909 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccsc5)nn4)C3)O2)CC1 ZINC001164898506 721445152 /nfs/dbraw/zinc/44/51/52/721445152.db2.gz WCYNYURJCZHSHQ-DENIHFKCSA-N 1 0 413.591 2.971 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164788641 721450816 /nfs/dbraw/zinc/45/08/16/721450816.db2.gz RXSJHNNLPBUTRA-LJQANCHMSA-N 1 0 417.550 2.602 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164892805 721453310 /nfs/dbraw/zinc/45/33/10/721453310.db2.gz YHTWZURRMXIGDG-YADARESESA-N 1 0 424.593 2.991 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(OC)n1)CC2 ZINC001164785840 721458583 /nfs/dbraw/zinc/45/85/83/721458583.db2.gz NXLIDKNTPFFEGB-IBGZPJMESA-N 1 0 404.555 2.528 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cl)c[n+]1[O-])CC2 ZINC001164783508 721465291 /nfs/dbraw/zinc/46/52/91/721465291.db2.gz DGYMXAWQWUIHKY-LJQANCHMSA-N 1 0 409.958 2.707 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)ncc1Cl)CC2 ZINC001164789480 721470729 /nfs/dbraw/zinc/47/07/29/721470729.db2.gz NFPYYCUVCANGIH-QGZVFWFLSA-N 1 0 424.973 2.873 20 0 HFADRO Cc1ccc2nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c(Cl)nc2c1 ZINC001164794017 721512672 /nfs/dbraw/zinc/51/26/72/721512672.db2.gz BDKWRBYOUCRKLE-UHFFFAOYSA-N 1 0 411.941 2.556 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)ncc2-c2ccccc2)CC3)CC1 ZINC001164794226 721513860 /nfs/dbraw/zinc/51/38/60/721513860.db2.gz LQWSSESUJSPQHI-UHFFFAOYSA-N 1 0 423.952 2.761 20 0 HFADRO Cc1cc(Cl)nc(C(F)(F)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1 ZINC001164797824 721515450 /nfs/dbraw/zinc/51/54/50/721515450.db2.gz OKEVHYMHXZVTMR-UHFFFAOYSA-N 1 0 410.900 2.552 20 0 HFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896359 721516729 /nfs/dbraw/zinc/51/67/29/721516729.db2.gz BDWIYPYTXSBEOX-IEBWSBKVSA-N 1 0 422.460 2.897 20 0 HFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899705 721522136 /nfs/dbraw/zinc/52/21/36/721522136.db2.gz LULYQBWSCBERQA-GDBMZVCRSA-N 1 0 420.872 2.788 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164905301 721551288 /nfs/dbraw/zinc/55/12/88/721551288.db2.gz GMVZMRGVRRJRIM-ZBFHGGJFSA-N 1 0 416.888 2.806 20 0 HFADRO COc1ccc2c(c1)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164810478 721554292 /nfs/dbraw/zinc/55/42/92/721554292.db2.gz YLELSKGWFQOGLQ-FKBYEOEOSA-N 1 0 405.502 2.902 20 0 HFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164903101 721561031 /nfs/dbraw/zinc/56/10/31/721561031.db2.gz AKRFZPWFIFPNBI-IEBWSBKVSA-N 1 0 415.538 2.511 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3cccnc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806244 721561553 /nfs/dbraw/zinc/56/15/53/721561553.db2.gz PKTIYDBKSBBVNX-SJBKTWHCSA-N 1 0 402.502 2.802 20 0 HFADRO CCOC(=O)c1cnc(CC)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903482 721562976 /nfs/dbraw/zinc/56/29/76/721562976.db2.gz BJKRRHCBEDRTDP-SJLPKXTDSA-N 1 0 414.481 2.697 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164802396 721567988 /nfs/dbraw/zinc/56/79/88/721567988.db2.gz IHECTZKYKXHTGK-XPNTWCBSSA-N 1 0 421.545 2.581 20 0 HFADRO Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2ccc(N4CC[NH+](C)CC4)nn2)C3)c1 ZINC001164800340 721600513 /nfs/dbraw/zinc/60/05/13/721600513.db2.gz LFPVSAJZAYHDBM-QPPBQGQZSA-N 1 0 422.577 2.755 20 0 HFADRO O=C1COc2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164908713 721706388 /nfs/dbraw/zinc/70/63/88/721706388.db2.gz YTGXIBLRPFSWLU-FQEVSTJZSA-N 1 0 415.444 2.545 20 0 HFADRO CNC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907053 721713585 /nfs/dbraw/zinc/71/35/85/721713585.db2.gz PWZUPMPGGWWNKB-HXUWFJFHSA-N 1 0 401.461 2.574 20 0 HFADRO CCOC(=O)c1nccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912604 721728930 /nfs/dbraw/zinc/72/89/30/721728930.db2.gz OMXYQINAKQNRLH-FQEVSTJZSA-N 1 0 417.460 2.786 20 0 HFADRO NC(=S)Nc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164909677 721731055 /nfs/dbraw/zinc/73/10/55/721731055.db2.gz CVFNNRQRUXBKOZ-IBGZPJMESA-N 1 0 418.517 2.870 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c(F)cccc32)CC1 ZINC001165011915 721735619 /nfs/dbraw/zinc/73/56/19/721735619.db2.gz XGHPECCBPAJGTE-UHFFFAOYSA-N 1 0 405.905 2.945 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(C(=O)OC(C)(C)C)cn2)CC1 ZINC001165010107 721737567 /nfs/dbraw/zinc/73/75/67/721737567.db2.gz AMTPCKAZOPYHOO-UHFFFAOYSA-N 1 0 402.539 2.560 20 0 HFADRO COc1cccc(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)c1 ZINC001165010302 721745246 /nfs/dbraw/zinc/74/52/46/721745246.db2.gz LMTWKABSOHWXNB-UHFFFAOYSA-N 1 0 409.534 2.675 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165010899 721745729 /nfs/dbraw/zinc/74/57/29/721745729.db2.gz QOHZOMMZWMNMOA-UHFFFAOYSA-N 1 0 410.518 2.544 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc3nc(Cl)cnc3cc2F)CC1 ZINC001165010957 721746565 /nfs/dbraw/zinc/74/65/65/721746565.db2.gz RDIDXFAJAVZKGZ-UHFFFAOYSA-N 1 0 405.905 2.945 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)nn3)C[C@@H]21 ZINC001165030197 721827046 /nfs/dbraw/zinc/82/70/46/721827046.db2.gz YTQALYIZMJZERE-LKUPVBHCSA-N 1 0 406.534 2.501 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3NC(=O)CS4)C[C@@H]21 ZINC001165023135 721831364 /nfs/dbraw/zinc/83/13/64/721831364.db2.gz HUEYGHXEVXYRLV-HYVNUMGLSA-N 1 0 410.547 2.653 20 0 HFADRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164925094 721837171 /nfs/dbraw/zinc/83/71/71/721837171.db2.gz NQEZVDXAKYXICR-REWPJTCUSA-N 1 0 408.550 2.732 20 0 HFADRO COc1cc(OC)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165019301 721839449 /nfs/dbraw/zinc/83/94/49/721839449.db2.gz CJQMUTUEZAIPMZ-UHFFFAOYSA-N 1 0 402.495 2.612 20 0 HFADRO CCn1cnc2c1ncnc2N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023149 721843764 /nfs/dbraw/zinc/84/37/64/721843764.db2.gz XVUMBSJBRBQLMR-UHFFFAOYSA-N 1 0 410.522 2.964 20 0 HFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164932244 721861255 /nfs/dbraw/zinc/86/12/55/721861255.db2.gz XRZGZTINOZTFEA-IRXDYDNUSA-N 1 0 417.941 2.675 20 0 HFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164932245 721861431 /nfs/dbraw/zinc/86/14/31/721861431.db2.gz XRZGZTINOZTFEA-SJORKVTESA-N 1 0 417.941 2.675 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164936681 721890942 /nfs/dbraw/zinc/89/09/42/721890942.db2.gz ZLUIYACQWCGQFT-NEPJUHHUSA-N 1 0 416.929 2.585 20 0 HFADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2n1 ZINC001165038150 721905117 /nfs/dbraw/zinc/90/51/17/721905117.db2.gz KIUUBFWRADSWFT-SECBINFHSA-N 1 0 403.701 2.681 20 0 HFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCN(C[C@H]2CCCO2)CC1 ZINC001165043614 721926262 /nfs/dbraw/zinc/92/62/62/721926262.db2.gz NDSIJNPJWBKTEV-QGZVFWFLSA-N 1 0 412.912 2.958 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(Cn5cncn5)cn4)CC3)C2)cc1 ZINC001164940721 721931562 /nfs/dbraw/zinc/93/15/62/721931562.db2.gz YRRDZTKPJZEQDS-UHFFFAOYSA-N 1 0 418.545 2.901 20 0 HFADRO COC(=O)C1CCN(c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nn2)CC1 ZINC001165047447 721972649 /nfs/dbraw/zinc/97/26/49/721972649.db2.gz HFTBJBSGLHTXOH-LJQANCHMSA-N 1 0 401.555 2.711 20 0 HFADRO CC(C)(C)C(=O)Nc1ccnc(N2CCn3cccc3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165052201 721991827 /nfs/dbraw/zinc/99/18/27/721991827.db2.gz UDSLIRYFERHLOR-QGZVFWFLSA-N 1 0 411.550 2.702 20 0 HFADRO COC(=O)c1cc2cnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2n1C ZINC001164955456 722021458 /nfs/dbraw/zinc/02/14/58/722021458.db2.gz HNYDCFMZYDFASS-UHFFFAOYSA-N 1 0 420.517 2.642 20 0 HFADRO COc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961188 722052387 /nfs/dbraw/zinc/05/23/87/722052387.db2.gz UUTKLZGDNXGVEZ-UHFFFAOYSA-N 1 0 403.914 2.653 20 0 HFADRO Clc1[n-][nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2ncnc1-2 ZINC001164964819 722057860 /nfs/dbraw/zinc/05/78/60/722057860.db2.gz YCEBDZJBVRSENS-UHFFFAOYSA-N 1 0 413.913 2.520 20 0 HFADRO O=C(c1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(Cl)c1)N1CCCCC1 ZINC001164967431 722076186 /nfs/dbraw/zinc/07/61/86/722076186.db2.gz QCJOREMGTWPYNE-HDICACEKSA-N 1 0 404.942 2.661 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(Cn4cccn4)nnc3C2)nc1 ZINC001164973365 722089089 /nfs/dbraw/zinc/08/90/89/722089089.db2.gz JVGADZYACSZGMK-IBGZPJMESA-N 1 0 406.538 2.875 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983444 722105677 /nfs/dbraw/zinc/10/56/77/722105677.db2.gz QDUDMQVIWJMTKT-PZJWPPBQSA-N 1 0 410.518 2.689 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986209 722107089 /nfs/dbraw/zinc/10/70/89/722107089.db2.gz YJCHDJKWHNHMKC-WIYYLYMNSA-N 1 0 405.502 2.761 20 0 HFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983124 722118910 /nfs/dbraw/zinc/11/89/10/722118910.db2.gz YIDFMNLLMZFBOS-SFTDATJTSA-N 1 0 423.561 2.732 20 0 HFADRO CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164971465 722125538 /nfs/dbraw/zinc/12/55/38/722125538.db2.gz COLHISKXBJMJKG-SFTDATJTSA-N 1 0 424.545 2.997 20 0 HFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164970932 722125611 /nfs/dbraw/zinc/12/56/11/722125611.db2.gz ASUUAMZAYUOZBO-WBVHZDCISA-N 1 0 423.895 2.984 20 0 HFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164970928 722125687 /nfs/dbraw/zinc/12/56/87/722125687.db2.gz ASUUAMZAYUOZBO-DOTOQJQBSA-N 1 0 423.895 2.984 20 0 HFADRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc21 ZINC001164973042 722125714 /nfs/dbraw/zinc/12/57/14/722125714.db2.gz GDJRDZYAJFEYTQ-RXVVDRJESA-N 1 0 405.502 2.761 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164972695 722128628 /nfs/dbraw/zinc/12/86/28/722128628.db2.gz AIBJWLJPOQOBHQ-LEWJYISDSA-N 1 0 408.550 2.589 20 0 HFADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164978070 722129863 /nfs/dbraw/zinc/12/98/63/722129863.db2.gz JMXWMOPXQHTLFU-OOBCZCDPSA-N 1 0 422.529 2.780 20 0 HFADRO COc1cc2c(cc1F)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983871 722130063 /nfs/dbraw/zinc/13/00/63/722130063.db2.gz VWUFVAXQWCVHQS-JTSKRJEESA-N 1 0 423.492 2.900 20 0 HFADRO CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164978073 722130109 /nfs/dbraw/zinc/13/01/09/722130109.db2.gz JMXWMOPXQHTLFU-UBYOCFDASA-N 1 0 422.529 2.780 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164980926 722131505 /nfs/dbraw/zinc/13/15/05/722131505.db2.gz NTRHIARKFIAGTM-RTWAWAEBSA-N 1 0 408.550 2.589 20 0 HFADRO Fc1ncccc1-c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984235 722131772 /nfs/dbraw/zinc/13/17/72/722131772.db2.gz WPWHUGYTEOYFPR-GHTZIAJQSA-N 1 0 420.492 2.800 20 0 HFADRO FC(F)(c1cncc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978865 722134176 /nfs/dbraw/zinc/13/41/76/722134176.db2.gz KBQKMFIQDIMGNI-JKSUJKDBSA-N 1 0 409.868 2.797 20 0 HFADRO Nc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164977083 722136966 /nfs/dbraw/zinc/13/69/66/722136966.db2.gz IRGFRKYUHYXBRT-CRAIPNDOSA-N 1 0 423.895 2.984 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976137 722137218 /nfs/dbraw/zinc/13/72/18/722137218.db2.gz HKBFOFCPPNYMOK-HOTGVXAUSA-N 1 0 405.955 2.974 20 0 HFADRO Cc1noc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)n1 ZINC001164979573 722145028 /nfs/dbraw/zinc/14/50/28/722145028.db2.gz LGECFDPDBKHJKS-UXHICEINSA-N 1 0 406.490 2.562 20 0 HFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C[NH+](C)C)ccn4)CC[C@H]32)cs1 ZINC001164986523 722185882 /nfs/dbraw/zinc/18/58/82/722185882.db2.gz FQEWBRUCPMNBRJ-WOJBJXKFSA-N 1 0 401.580 2.778 20 0 HFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-n5ccnc5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164990184 722185976 /nfs/dbraw/zinc/18/59/76/722185976.db2.gz QZIMTFMAARCLNY-VQTJNVASSA-N 1 0 410.547 2.902 20 0 HFADRO CNC(=O)c1cc(Cl)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164997455 722212981 /nfs/dbraw/zinc/21/29/81/722212981.db2.gz QLHZOPDKEJKUHF-FQEVSTJZSA-N 1 0 403.889 2.874 20 0 HFADRO Cc1cc(Cl)nc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000900 722250779 /nfs/dbraw/zinc/25/07/79/722250779.db2.gz WIVUECOHQVMLTD-UHFFFAOYSA-N 1 0 414.888 2.668 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc3cc(Cl)ncc31)CCC2 ZINC001164999905 722252063 /nfs/dbraw/zinc/25/20/63/722252063.db2.gz IUEXPRZWMXMCOC-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Oc1cccc(Cl)n1)CCC2 ZINC001164999539 722252339 /nfs/dbraw/zinc/25/23/39/722252339.db2.gz ASPJJFYPYGXMQG-UHFFFAOYSA-N 1 0 415.872 2.845 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc3cc(Cl)ccc3n1)CCC2 ZINC001165002946 722254082 /nfs/dbraw/zinc/25/40/82/722254082.db2.gz XYWIDEZSRMPQMN-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO CCOC(=O)c1c(C)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1C ZINC001165001635 722254518 /nfs/dbraw/zinc/25/45/18/722254518.db2.gz DRQXVRJHKFMRIF-UHFFFAOYSA-N 1 0 415.538 2.560 20 0 HFADRO COc1cc(C)c2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165003642 722258254 /nfs/dbraw/zinc/25/82/54/722258254.db2.gz FVEZSAZSQSGPLW-UHFFFAOYSA-N 1 0 410.522 2.632 20 0 HFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001165006079 722270297 /nfs/dbraw/zinc/27/02/97/722270297.db2.gz LRMUNKVICOBMBV-DEOSSOPVSA-N 1 0 423.536 2.744 20 0 HFADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000790501009 1078046129 /nfs/dbraw/zinc/04/61/29/1078046129.db2.gz DNBFGJNNINMEAO-HKUYNNGSSA-N 1 0 420.554 2.635 20 0 HFADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)N2CC(=O)N(C3CC3)C2)cc1 ZINC000790502594 1078046840 /nfs/dbraw/zinc/04/68/40/1078046840.db2.gz VYBMREGSUQAAPZ-UHFFFAOYSA-N 1 0 413.522 2.687 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C[N@@H+]1Cc1ccccc1 ZINC000793006948 1078046928 /nfs/dbraw/zinc/04/69/28/1078046928.db2.gz PAFSPZHAIWSKAL-UKRRQHHQSA-N 1 0 417.307 2.562 20 0 HFADRO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccc(Cl)cc5)S4(=O)=O)(C2)O3)C1 ZINC001170139443 1078051762 /nfs/dbraw/zinc/05/17/62/1078051762.db2.gz VAMRXPFWHMENFW-SBUWESJJSA-N 1 0 410.967 2.886 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)nc1Br ZINC000793037596 1078053357 /nfs/dbraw/zinc/05/33/57/1078053357.db2.gz YBJFKJNFHWEWRR-UHFFFAOYSA-N 1 0 419.323 2.811 20 0 HFADRO C[C@]1(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793037472 1078053506 /nfs/dbraw/zinc/05/35/06/1078053506.db2.gz HAOLNPSPVMPFBQ-UGKGYDQZSA-N 1 0 400.523 2.571 20 0 HFADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1OC ZINC000793046011 1078055618 /nfs/dbraw/zinc/05/56/18/1078055618.db2.gz ZAOLDQOFSINBDK-SNUQEOBHSA-N 1 0 401.429 2.969 20 0 HFADRO COC(=O)C1CC[NH+](CCCNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793063448 1078059989 /nfs/dbraw/zinc/05/99/89/1078059989.db2.gz QEQPDWCTSTZSTO-UHFFFAOYSA-N 1 0 421.535 2.700 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000790599052 1078064030 /nfs/dbraw/zinc/06/40/30/1078064030.db2.gz RMXUHPKRDBOWHE-MSOLQXFVSA-N 1 0 403.523 2.946 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000793087399 1078065328 /nfs/dbraw/zinc/06/53/28/1078065328.db2.gz YCHJHZJBZDOZCN-TVTNDZMWSA-N 1 0 400.523 2.712 20 0 HFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)Nc3cccc(Cl)n3)c2)CC1 ZINC000793060694 1078069278 /nfs/dbraw/zinc/06/92/78/1078069278.db2.gz YHVCPTXPUCSOLR-UHFFFAOYSA-N 1 0 401.898 2.843 20 0 HFADRO COc1cccc(C[NH+]2CCC(NC(=O)c3c(C)nn(C)c3-n3ccnc3C)CC2)c1 ZINC000793127043 1078072706 /nfs/dbraw/zinc/07/27/06/1078072706.db2.gz GJMQDRNGHCIUNA-UHFFFAOYSA-N 1 0 422.533 2.626 20 0 HFADRO CCOC(=O)N1CCC([NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)CC1 ZINC000790609229 1078074789 /nfs/dbraw/zinc/07/47/89/1078074789.db2.gz JXHFVGYQHHILIW-QFIPXVFZSA-N 1 0 414.506 2.622 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000790618249 1078077877 /nfs/dbraw/zinc/07/78/77/1078077877.db2.gz HZAIWUULVHYLQG-OAQYLSRUSA-N 1 0 402.560 2.925 20 0 HFADRO CC1CC[NH+](CCNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000790675404 1078087093 /nfs/dbraw/zinc/08/70/93/1078087093.db2.gz ZKASYOROGMCBQY-IRXDYDNUSA-N 1 0 400.539 2.707 20 0 HFADRO O=C1C(=O)N(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000772828640 1078093903 /nfs/dbraw/zinc/09/39/03/1078093903.db2.gz NZWIDKPKCTVIGN-AZUAARDMSA-N 1 0 414.550 2.574 20 0 HFADRO COCC1(C(=O)NCC[N@H+](C)Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793170571 1078093965 /nfs/dbraw/zinc/09/39/65/1078093965.db2.gz RJDGAOKOZUPOPD-UHFFFAOYSA-N 1 0 419.566 2.898 20 0 HFADRO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000793181352 1078095555 /nfs/dbraw/zinc/09/55/55/1078095555.db2.gz CYMIRAMIYRAMKY-OAQYLSRUSA-N 1 0 407.518 2.740 20 0 HFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000790764410 1078113639 /nfs/dbraw/zinc/11/36/39/1078113639.db2.gz ZKKJAMHNGQAJDT-ULQDDVLXSA-N 1 0 400.539 2.850 20 0 HFADRO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc21 ZINC000793290325 1078119530 /nfs/dbraw/zinc/11/95/30/1078119530.db2.gz FGJFIWZYHXJHHX-MOPGFXCFSA-N 1 0 415.534 2.967 20 0 HFADRO C[C@]12CCN(C(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)C[C@H]1C2(Cl)Cl ZINC000790812997 1078127021 /nfs/dbraw/zinc/12/70/21/1078127021.db2.gz JDJFHJCYZZJPRF-SCTDSRPQSA-N 1 0 412.361 2.979 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCCC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000790770087 1078128511 /nfs/dbraw/zinc/12/85/11/1078128511.db2.gz PJACOHLUSQVEPL-IRXDYDNUSA-N 1 0 400.539 2.707 20 0 HFADRO CCOC(=O)c1cn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1C(F)(F)F ZINC000772831233 1078138115 /nfs/dbraw/zinc/13/81/15/1078138115.db2.gz ZPWDVMVTRTZBLZ-XJKSGUPXSA-N 1 0 400.445 2.985 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H]3COC4(CCCC4)O3)cc2)CC1 ZINC000790801387 1078139195 /nfs/dbraw/zinc/13/91/95/1078139195.db2.gz QRBALIBZFJHLAA-FQEVSTJZSA-N 1 0 403.523 2.645 20 0 HFADRO C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000790829736 1078159719 /nfs/dbraw/zinc/15/97/19/1078159719.db2.gz GFJUDBNEXXHEBO-INIZCTEOSA-N 1 0 420.554 2.872 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000793382545 1078161140 /nfs/dbraw/zinc/16/11/40/1078161140.db2.gz XNULKQVPLXALKY-LEWJYISDSA-N 1 0 400.567 2.610 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000793383528 1078161711 /nfs/dbraw/zinc/16/17/11/1078161711.db2.gz OYYDHVKSGTUICC-RPHTVSPISA-N 1 0 400.567 2.751 20 0 HFADRO Cn1cc(C(=O)CCC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cn1 ZINC000793402583 1078168724 /nfs/dbraw/zinc/16/87/24/1078168724.db2.gz LXFCVAWNORDCKY-UHFFFAOYSA-N 1 0 401.486 2.691 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 ZINC000790893234 1078174150 /nfs/dbraw/zinc/17/41/50/1078174150.db2.gz VIOUDXUSLDEIRF-HSZRJFAPSA-N 1 0 424.501 2.519 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 ZINC000793513305 1078196446 /nfs/dbraw/zinc/19/64/46/1078196446.db2.gz BCJMQJXORQJBCG-UTKZUKDTSA-N 1 0 413.493 2.915 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000793514449 1078196654 /nfs/dbraw/zinc/19/66/54/1078196654.db2.gz CVAWFIOCISTDEO-ZWKOTPCHSA-N 1 0 403.523 2.671 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000793521507 1078198529 /nfs/dbraw/zinc/19/85/29/1078198529.db2.gz YHPZIOLNSYLJJT-PKTZIBPZSA-N 1 0 409.530 2.950 20 0 HFADRO C[NH+](C)CCC1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793494989 1078201728 /nfs/dbraw/zinc/20/17/28/1078201728.db2.gz YMBQZKXGUAABDN-SFTDATJTSA-N 1 0 424.545 2.769 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000793534594 1078206061 /nfs/dbraw/zinc/20/60/61/1078206061.db2.gz QEKUQXSEXPGZBM-LBPRGKRZSA-N 1 0 405.536 2.926 20 0 HFADRO C[C@@H]([N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(C)(C)O ZINC001170434647 1078207791 /nfs/dbraw/zinc/20/77/91/1078207791.db2.gz KHZWZGCOQFMBGX-CYBMUJFWSA-N 1 0 403.445 2.572 20 0 HFADRO COC(=O)c1cn(CC[NH2+][C@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)nn1 ZINC000793569886 1078207841 /nfs/dbraw/zinc/20/78/41/1078207841.db2.gz QWBMMYFHHZEJSE-CVEARBPZSA-N 1 0 409.531 2.613 20 0 HFADRO Cc1cc([C@H](C)[NH2+]C[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)n(C)n1 ZINC000793566940 1078211629 /nfs/dbraw/zinc/21/16/29/1078211629.db2.gz NUEWBZMKGSKLDG-GOEBONIOSA-N 1 0 419.492 2.863 20 0 HFADRO C[N@H+](Cc1cccc(I)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000793577860 1078213259 /nfs/dbraw/zinc/21/32/59/1078213259.db2.gz BODZIFVMRLBZDA-GFCCVEGCSA-N 1 0 412.193 2.886 20 0 HFADRO Cn1cncc1CCC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000793582949 1078214746 /nfs/dbraw/zinc/21/47/46/1078214746.db2.gz NCEWLKHAUBFTDQ-HNNXBMFYSA-N 1 0 409.330 2.938 20 0 HFADRO C[C@H](NC(=O)CCN(C)C(=O)OCc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000793570616 1078224792 /nfs/dbraw/zinc/22/47/92/1078224792.db2.gz CNNPWXSLMJLKLW-IBGZPJMESA-N 1 0 417.550 2.795 20 0 HFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC1 ZINC000793653467 1078227055 /nfs/dbraw/zinc/22/70/55/1078227055.db2.gz RGKAOVAMSKEVAM-SFHVURJKSA-N 1 0 403.567 2.717 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793617235 1078228617 /nfs/dbraw/zinc/22/86/17/1078228617.db2.gz WCOZEEIXNLTDMT-ROUUACIJSA-N 1 0 411.587 2.981 20 0 HFADRO O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793622668 1078230588 /nfs/dbraw/zinc/23/05/88/1078230588.db2.gz AHUYCHVAEBPDAA-XABBQPORSA-N 1 0 413.562 2.936 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000793646337 1078240221 /nfs/dbraw/zinc/24/02/21/1078240221.db2.gz RXWNVXVTCSHIDY-SFHVURJKSA-N 1 0 401.551 2.519 20 0 HFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)CC[C@@H]21 ZINC000793676960 1078250891 /nfs/dbraw/zinc/25/08/91/1078250891.db2.gz FYRZTIRWBZIDRQ-HOCLYGCPSA-N 1 0 408.568 2.767 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000793719397 1078264199 /nfs/dbraw/zinc/26/41/99/1078264199.db2.gz DQYKGOOKYIHVBI-CJNGLKHVSA-N 1 0 403.420 2.926 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000793727531 1078268793 /nfs/dbraw/zinc/26/87/93/1078268793.db2.gz UEQFASUNHSXSLG-NRSPTQNISA-N 1 0 401.551 2.603 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000793694320 1078270324 /nfs/dbraw/zinc/27/03/24/1078270324.db2.gz HEWMAUINDJISHD-MSOLQXFVSA-N 1 0 415.559 2.660 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436645 1078278022 /nfs/dbraw/zinc/27/80/22/1078278022.db2.gz JMAFXYWUVDVRNP-HTAPYJJXSA-N 1 0 401.507 2.824 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000793695265 1078270925 /nfs/dbraw/zinc/27/09/25/1078270925.db2.gz NDZXVAAAEOVURD-KCZVDYSFSA-N 1 0 423.557 2.987 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000793695266 1078270944 /nfs/dbraw/zinc/27/09/44/1078270944.db2.gz NDZXVAAAEOVURD-RZUBCFFCSA-N 1 0 423.557 2.987 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000793694517 1078271591 /nfs/dbraw/zinc/27/15/91/1078271591.db2.gz MDZDQAJCXMQZKJ-UGKGYDQZSA-N 1 0 423.557 2.987 20 0 HFADRO Cc1ccc(C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000793703067 1078274932 /nfs/dbraw/zinc/27/49/32/1078274932.db2.gz VXOFTQCQHKHKCA-SIKLNZKXSA-N 1 0 408.546 2.781 20 0 HFADRO Cc1ccc(N(C)[C@H]2CCCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000793736952 1078285025 /nfs/dbraw/zinc/28/50/25/1078285025.db2.gz FKLVVENQQURFCZ-NRFANRHFSA-N 1 0 414.594 2.801 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000793737356 1078285634 /nfs/dbraw/zinc/28/56/34/1078285634.db2.gz HPIIVFMGJKIENP-INIZCTEOSA-N 1 0 407.942 2.699 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000793738758 1078286474 /nfs/dbraw/zinc/28/64/74/1078286474.db2.gz UKYVTMSMDCTAKE-UHFFFAOYSA-N 1 0 404.942 2.859 20 0 HFADRO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793781444 1078292392 /nfs/dbraw/zinc/29/23/92/1078292392.db2.gz CIJYSDBZGWAEJO-IVMQYODDSA-N 1 0 405.514 2.623 20 0 HFADRO CC1CC[NH+]([C@H](CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)c2ccccc2)CC1 ZINC000793782332 1078292678 /nfs/dbraw/zinc/29/26/78/1078292678.db2.gz GOEMRBZJNNPOCB-FYYLOGMGSA-N 1 0 420.557 2.987 20 0 HFADRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)NC[C@H]2CSCCS2)c2ccccc2)CC1 ZINC000793784884 1078294130 /nfs/dbraw/zinc/29/41/30/1078294130.db2.gz NUDAZIIDFPLSJA-OALUTQOASA-N 1 0 421.632 2.541 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793793433 1078298928 /nfs/dbraw/zinc/29/89/28/1078298928.db2.gz REKWOCGHOYNEPH-ONTIZHBOSA-N 1 0 423.557 2.905 20 0 HFADRO CC[C@H]1Cc2ccccc2CN1C(=O)C(=O)NCc1cccnc1-n1ccnc1C ZINC000793808300 1078306031 /nfs/dbraw/zinc/30/60/31/1078306031.db2.gz UFVQXHKDYCVZID-FQEVSTJZSA-N 1 0 403.486 2.555 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000793796096 1078300548 /nfs/dbraw/zinc/30/05/48/1078300548.db2.gz WRIOLTURTBAPHY-QGZVFWFLSA-N 1 0 403.548 2.530 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000793779488 1078309361 /nfs/dbraw/zinc/30/93/61/1078309361.db2.gz AZLDNAAPUKLFBH-NHCUHLMSSA-N 1 0 415.578 2.849 20 0 HFADRO NC(=NOCc1cccc(Br)n1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000793834627 1078310294 /nfs/dbraw/zinc/31/02/94/1078310294.db2.gz JCDKPRWMCCPPRS-UHFFFAOYSA-N 1 0 419.323 2.848 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)sc21)c1ccco1 ZINC000793840872 1078311874 /nfs/dbraw/zinc/31/18/74/1078311874.db2.gz BFLVTFKJEUDGOP-JKSUJKDBSA-N 1 0 404.536 2.737 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)([NH+](C)C)C1 ZINC000793812172 1078314854 /nfs/dbraw/zinc/31/48/54/1078314854.db2.gz KQTXSXXGFUNUHA-FOUBCARRSA-N 1 0 421.607 2.789 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000793815793 1078316166 /nfs/dbraw/zinc/31/61/66/1078316166.db2.gz UORJMVCHCRGCNS-NRFANRHFSA-N 1 0 401.551 2.509 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000793850984 1078323404 /nfs/dbraw/zinc/32/34/04/1078323404.db2.gz QRBAPZUMIRRLRN-MRXNPFEDSA-N 1 0 403.548 2.881 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000793852172 1078323659 /nfs/dbraw/zinc/32/36/59/1078323659.db2.gz UXVCZEUQWSVHHW-INIZCTEOSA-N 1 0 403.548 2.533 20 0 HFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793873416 1078329934 /nfs/dbraw/zinc/32/99/34/1078329934.db2.gz AVWILERHXNGMPI-DLBZAZTESA-N 1 0 405.539 2.880 20 0 HFADRO CC[N@H+](CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C(C)C ZINC000793877164 1078332605 /nfs/dbraw/zinc/33/26/05/1078332605.db2.gz VGLKSGMBYBCELT-UHFFFAOYSA-N 1 0 416.610 2.916 20 0 HFADRO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793877268 1078332642 /nfs/dbraw/zinc/33/26/42/1078332642.db2.gz VRQYHMKXTUJDRU-UHFFFAOYSA-N 1 0 416.610 2.868 20 0 HFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793900746 1078333140 /nfs/dbraw/zinc/33/31/40/1078333140.db2.gz AOBBYUAAIWUOQS-KDURUIRLSA-N 1 0 410.518 2.521 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000793932476 1078341553 /nfs/dbraw/zinc/34/15/53/1078341553.db2.gz UIJSOHBOXKJXNP-NVXWUHKLSA-N 1 0 400.910 2.611 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000793914037 1078336811 /nfs/dbraw/zinc/33/68/11/1078336811.db2.gz SMPXBFBJRLPDKP-ROUUACIJSA-N 1 0 402.583 2.632 20 0 HFADRO Cn1ccnc1[C@](O)(CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000747161251 1078339627 /nfs/dbraw/zinc/33/96/27/1078339627.db2.gz CPBTWINHXGJELA-HXUWFJFHSA-N 1 0 424.467 2.589 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000793960255 1078347887 /nfs/dbraw/zinc/34/78/87/1078347887.db2.gz SSYBYSXJIPWBGI-WLRLJWMZSA-N 1 0 421.626 2.839 20 0 HFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972309 1078349882 /nfs/dbraw/zinc/34/98/82/1078349882.db2.gz WBQDKJMSCIZMCQ-ACRUOGEOSA-N 1 0 422.529 2.711 20 0 HFADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972314 1078349920 /nfs/dbraw/zinc/34/99/20/1078349920.db2.gz WBQDKJMSCIZMCQ-NJYVYQBISA-N 1 0 422.529 2.711 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001170440916 1078355019 /nfs/dbraw/zinc/35/50/19/1078355019.db2.gz FPPFAMMQIULMGA-JBYIUTFZSA-N 1 0 403.523 2.631 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000793948034 1078355603 /nfs/dbraw/zinc/35/56/03/1078355603.db2.gz JIZWUCFFHBSIQM-AABGKKOBSA-N 1 0 407.599 2.526 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001170443940 1078391966 /nfs/dbraw/zinc/39/19/66/1078391966.db2.gz RNNQMQZVMFDSHP-SFGWALBWSA-N 1 0 412.461 2.992 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N(CCO)Cc2cccnc2Cl)cc1 ZINC000794323910 1078413600 /nfs/dbraw/zinc/41/36/00/1078413600.db2.gz WZUXGNUEDPLHAQ-YFHOEESVSA-N 1 0 403.910 2.710 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000794339083 1078419097 /nfs/dbraw/zinc/41/90/97/1078419097.db2.gz LMFMCUVKGXYIRJ-OAQYLSRUSA-N 1 0 406.486 2.703 20 0 HFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794367867 1078427338 /nfs/dbraw/zinc/42/73/38/1078427338.db2.gz WZRWKSDUIMFVGU-INIZCTEOSA-N 1 0 401.548 2.593 20 0 HFADRO C[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000772845543 1078435032 /nfs/dbraw/zinc/43/50/32/1078435032.db2.gz IQKNJUDMDRXFBE-CCKFTAQKSA-N 1 0 414.377 2.901 20 0 HFADRO C[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000772845545 1078435135 /nfs/dbraw/zinc/43/51/35/1078435135.db2.gz IQKNJUDMDRXFBE-MDASCCDHSA-N 1 0 414.377 2.901 20 0 HFADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000804429722 1078474977 /nfs/dbraw/zinc/47/49/77/1078474977.db2.gz NQJZXBRTKZLYLG-WMZHIEFXSA-N 1 0 423.557 2.656 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)c2ccc3ncc(I)n3c2)CC1 ZINC000749335873 1078477742 /nfs/dbraw/zinc/47/77/42/1078477742.db2.gz TXFZQLBFMVXSQE-UHFFFAOYSA-N 1 0 412.275 2.542 20 0 HFADRO Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486374 1078506545 /nfs/dbraw/zinc/50/65/45/1078506545.db2.gz IWDNSTCATXEVMZ-SIKLNZKXSA-N 1 0 409.534 2.640 20 0 HFADRO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC001129809888 1078507951 /nfs/dbraw/zinc/50/79/51/1078507951.db2.gz OHEVCQPGJSFAFY-KRWDZBQOSA-N 1 0 407.580 2.854 20 0 HFADRO COc1ccc(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000804448615 1078516906 /nfs/dbraw/zinc/51/69/06/1078516906.db2.gz PIBXOVIPMHGIDD-SFHVURJKSA-N 1 0 414.937 2.776 20 0 HFADRO C[N@H+](CCCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC001129515817 1078528323 /nfs/dbraw/zinc/52/83/23/1078528323.db2.gz WYAJVCFLOZNEAE-CQSZACIVSA-N 1 0 420.000 2.545 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)c1 ZINC001129548702 1078539446 /nfs/dbraw/zinc/53/94/46/1078539446.db2.gz SSOIGYWPWBVIGS-PKNBQFBNSA-N 1 0 422.485 2.950 20 0 HFADRO COC(=O)c1cnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804498546 1078554034 /nfs/dbraw/zinc/55/40/34/1078554034.db2.gz QHORNPOHFQCRRU-IBGZPJMESA-N 1 0 409.408 2.936 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3cc(Cl)ccn3n2)[C@@H](c2cnn(C)c2)C1 ZINC001129566463 1078560374 /nfs/dbraw/zinc/56/03/74/1078560374.db2.gz GUTFJTDFSGRVQE-HZPDHXFCSA-N 1 0 401.902 2.569 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000804521249 1078560714 /nfs/dbraw/zinc/56/07/14/1078560714.db2.gz QMDXRVXHTDLFDX-VWLOTQADSA-N 1 0 422.573 2.874 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000804524456 1078562953 /nfs/dbraw/zinc/56/29/53/1078562953.db2.gz QNDFGHAOXRTHEP-ZBFHGGJFSA-N 1 0 411.955 2.579 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)N3CC([N@H+](C)Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000804530324 1078567472 /nfs/dbraw/zinc/56/74/72/1078567472.db2.gz DBQQJLZHWSXMFD-KTKRTIGZSA-N 1 0 405.502 2.662 20 0 HFADRO CC(=O)c1ccc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804529581 1078568379 /nfs/dbraw/zinc/56/83/79/1078568379.db2.gz DLABMVQDUVSNGR-IBGZPJMESA-N 1 0 401.532 2.637 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3c(F)c(F)cc(F)c3F)cc2)CC1 ZINC001129872743 1078569208 /nfs/dbraw/zinc/56/92/08/1078569208.db2.gz PANYEDANNZCOCF-UHFFFAOYSA-N 1 0 423.410 2.870 20 0 HFADRO COCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C1CC[NH+](C)CC1 ZINC001129599713 1078573700 /nfs/dbraw/zinc/57/37/00/1078573700.db2.gz IJSIVCPVAQSEAY-LJQANCHMSA-N 1 0 401.551 2.616 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001129906077 1078578499 /nfs/dbraw/zinc/57/84/99/1078578499.db2.gz WABODPORWRTOPR-ROUUACIJSA-N 1 0 407.580 2.724 20 0 HFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731261 1078589267 /nfs/dbraw/zinc/58/92/67/1078589267.db2.gz LCFNYZPBWJTGFE-FUHWJXTLSA-N 1 0 409.452 2.622 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804777103 1078602386 /nfs/dbraw/zinc/60/23/86/1078602386.db2.gz QCSJFEQABULKRN-SFHVURJKSA-N 1 0 419.570 2.600 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC001129962064 1078636434 /nfs/dbraw/zinc/63/64/34/1078636434.db2.gz NKBAOTXRSJNSES-UHFFFAOYSA-N 1 0 415.557 2.703 20 0 HFADRO Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129679458 1078643337 /nfs/dbraw/zinc/64/33/37/1078643337.db2.gz NXFXOTILBDZFRB-GOSISDBHSA-N 1 0 424.471 2.641 20 0 HFADRO Cc1oc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1CN1C(=O)c2ccccc2C1=O ZINC001129678643 1078666538 /nfs/dbraw/zinc/66/65/38/1078666538.db2.gz DWHWQHGQMYOGFY-QGZVFWFLSA-N 1 0 409.486 2.939 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000804828729 1078667774 /nfs/dbraw/zinc/66/77/74/1078667774.db2.gz XTLXIVAWVORZLQ-WOJBJXKFSA-N 1 0 414.594 2.872 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000804828384 1078668319 /nfs/dbraw/zinc/66/83/19/1078668319.db2.gz PAXHOJUJRKYPRJ-HXUWFJFHSA-N 1 0 422.573 2.882 20 0 HFADRO Cc1cc2c(CC(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)csc2s1 ZINC001129719358 1078672129 /nfs/dbraw/zinc/67/21/29/1078672129.db2.gz DHPNPBCUSYHKKW-UHFFFAOYSA-N 1 0 407.605 2.727 20 0 HFADRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001129719967 1078672710 /nfs/dbraw/zinc/67/27/10/1078672710.db2.gz JHRAHHGPSNIGTC-IBGZPJMESA-N 1 0 417.594 2.664 20 0 HFADRO CCN(c1ccnc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736237 1078682789 /nfs/dbraw/zinc/68/27/89/1078682789.db2.gz YJYSUZSGIONOIO-MOPGFXCFSA-N 1 0 411.554 2.653 20 0 HFADRO CC[C@@](O)(C(=O)N1CCC([NH+](CCOC)CCOC)CC1)c1cccc(Cl)c1 ZINC000804627052 1078680061 /nfs/dbraw/zinc/68/00/61/1078680061.db2.gz AEHFBCRMNWLFCX-NRFANRHFSA-N 1 0 412.958 2.523 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(C)ccc2N2CCCC2)CC1 ZINC000804627886 1078680737 /nfs/dbraw/zinc/68/07/37/1078680737.db2.gz SMDVBRXUOAESFV-UHFFFAOYSA-N 1 0 403.567 2.795 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)N(C)CCC[N@H+](C)Cc3ccco3)c(=O)[nH]c21 ZINC000804868322 1078692229 /nfs/dbraw/zinc/69/22/29/1078692229.db2.gz CXOZNEGBIFTKHE-CMDGGOBGSA-N 1 0 411.506 2.892 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804644636 1078697020 /nfs/dbraw/zinc/69/70/20/1078697020.db2.gz MNJBSJFAJRROJS-DENIHFKCSA-N 1 0 422.573 2.928 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000804644003 1078698734 /nfs/dbraw/zinc/69/87/34/1078698734.db2.gz VRHBRLSVXMFRJI-STZQEDGTSA-N 1 0 421.541 2.666 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000804644001 1078698858 /nfs/dbraw/zinc/69/88/58/1078698858.db2.gz VRHBRLSVXMFRJI-COPCDDAFSA-N 1 0 421.541 2.666 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000804644002 1078698930 /nfs/dbraw/zinc/69/89/30/1078698930.db2.gz VRHBRLSVXMFRJI-QIJUGHKUSA-N 1 0 421.541 2.666 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)o1 ZINC000804633028 1078712622 /nfs/dbraw/zinc/71/26/22/1078712622.db2.gz IYDCHTJDODEEEJ-SJORKVTESA-N 1 0 407.511 2.631 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC001129742649 1078714912 /nfs/dbraw/zinc/71/49/12/1078714912.db2.gz NJLSUUUPKJWOOE-FCHUYYIVSA-N 1 0 409.505 2.943 20 0 HFADRO O=C(NC[C@H]1CC1(Cl)Cl)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804941854 1078766365 /nfs/dbraw/zinc/76/63/65/1078766365.db2.gz FECNVXWQDROJHV-MSOLQXFVSA-N 1 0 411.377 2.782 20 0 HFADRO O=C(NC[C@@H]1CC1(Cl)Cl)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804941857 1078766410 /nfs/dbraw/zinc/76/64/10/1078766410.db2.gz FECNVXWQDROJHV-ZWKOTPCHSA-N 1 0 411.377 2.782 20 0 HFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000804944442 1078771900 /nfs/dbraw/zinc/77/19/00/1078771900.db2.gz QOZXMGLGJCMACY-SFHVURJKSA-N 1 0 423.557 2.872 20 0 HFADRO Cc1nc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c(Br)n1C ZINC000804949488 1078778096 /nfs/dbraw/zinc/77/80/96/1078778096.db2.gz ORSGFIBHLUVLDB-AWEZNQCLSA-N 1 0 421.405 2.526 20 0 HFADRO O=C(NCc1ccc(Cl)nc1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804933817 1078789232 /nfs/dbraw/zinc/78/92/32/1078789232.db2.gz LYHWBQCQKZFYPH-FQEVSTJZSA-N 1 0 413.953 2.837 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)NC(C)C)cc2)CC1 ZINC000804929858 1078785426 /nfs/dbraw/zinc/78/54/26/1078785426.db2.gz RPGZWNWBPYQPTM-OAQYLSRUSA-N 1 0 416.566 2.958 20 0 HFADRO COC1CC[NH+](C2(CNS(=O)(=O)c3cnc(Cl)c(F)c3)CCCC2)CC1 ZINC000804990031 1078794766 /nfs/dbraw/zinc/79/47/66/1078794766.db2.gz SVRJJSZAXOKGGM-UHFFFAOYSA-N 1 0 405.923 2.576 20 0 HFADRO Cc1nc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c(Br)n1C ZINC000804965536 1078802345 /nfs/dbraw/zinc/80/23/45/1078802345.db2.gz OMRILADCNOGPGW-VXGBXAGGSA-N 1 0 421.405 2.526 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804972942 1078808794 /nfs/dbraw/zinc/80/87/94/1078808794.db2.gz MZMGMFTZPMEAAE-UHFFFAOYSA-N 1 0 407.845 2.905 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804972211 1078809534 /nfs/dbraw/zinc/80/95/34/1078809534.db2.gz CFUXNLOTYJNOLU-UHFFFAOYSA-N 1 0 407.845 2.905 20 0 HFADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000804998141 1078847465 /nfs/dbraw/zinc/84/74/65/1078847465.db2.gz ZWNXLQONUKWFSQ-UHFFFAOYSA-N 1 0 403.426 2.866 20 0 HFADRO CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+]2CCCCCC2)C(C)C)CC1 ZINC000805106586 1078889773 /nfs/dbraw/zinc/88/97/73/1078889773.db2.gz GAPUJKXSJCWTLD-UHFFFAOYSA-N 1 0 403.589 2.524 20 0 HFADRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000805075426 1078907366 /nfs/dbraw/zinc/90/73/66/1078907366.db2.gz XEDRFZPOOMLCSA-YUTCNCBUSA-N 1 0 400.292 2.812 20 0 HFADRO C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000805075425 1078907417 /nfs/dbraw/zinc/90/74/17/1078907417.db2.gz XEDRFZPOOMLCSA-UBHSHLNASA-N 1 0 400.292 2.812 20 0 HFADRO COC[C@]1(CNC(=O)NCC[N@H+](C)C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805079581 1078910539 /nfs/dbraw/zinc/91/05/39/1078910539.db2.gz XQHLUARHDWZPGA-OAQYLSRUSA-N 1 0 412.575 2.576 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000805138238 1078936157 /nfs/dbraw/zinc/93/61/57/1078936157.db2.gz OOCJMYTYFKDOAA-KRWDZBQOSA-N 1 0 403.445 2.539 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000747231055 1078944240 /nfs/dbraw/zinc/94/42/40/1078944240.db2.gz DXXSMHIEONZCBX-CTNGQTDRSA-N 1 0 406.486 2.506 20 0 HFADRO CN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(C)(C)C[NH+]1CCCC1 ZINC001130106620 1078959451 /nfs/dbraw/zinc/95/94/51/1078959451.db2.gz UVHYCCJCUULHKP-FQEVSTJZSA-N 1 0 421.607 2.561 20 0 HFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001130099619 1078949968 /nfs/dbraw/zinc/94/99/68/1078949968.db2.gz VRAIMLYCJUAYRE-LJQANCHMSA-N 1 0 413.543 2.604 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1F ZINC000747228762 1078951777 /nfs/dbraw/zinc/95/17/77/1078951777.db2.gz LAQOOUKDNFZDAK-XLIONFOSSA-N 1 0 418.490 2.917 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000747230037 1078952727 /nfs/dbraw/zinc/95/27/27/1078952727.db2.gz YIXGWCAQQKYZMS-XFXZXTDPSA-N 1 0 414.527 2.816 20 0 HFADRO C[C@@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C)C(F)(F)F)C(F)(F)F ZINC000805201963 1078953492 /nfs/dbraw/zinc/95/34/92/1078953492.db2.gz KITCYLVCNJCBHQ-STQMWFEESA-N 1 0 419.410 2.766 20 0 HFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 ZINC000805180531 1078964986 /nfs/dbraw/zinc/96/49/86/1078964986.db2.gz KUIRLNKUINSJTO-AUSIDOKSSA-N 1 0 416.610 2.724 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000805182230 1078965676 /nfs/dbraw/zinc/96/56/76/1078965676.db2.gz WBLGAAWSPXEDLW-JTSKRJEESA-N 1 0 406.571 2.903 20 0 HFADRO CC(C)[NH+](CCCNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)C(C)C ZINC000805188438 1078967559 /nfs/dbraw/zinc/96/75/59/1078967559.db2.gz DGMPKFMXMOQCPJ-JYJNAYRXSA-N 1 0 408.509 2.982 20 0 HFADRO COC[C@@]1(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000805191837 1078968611 /nfs/dbraw/zinc/96/86/11/1078968611.db2.gz RNKXDUAAYXWWNV-IERDGZPVSA-N 1 0 414.591 2.678 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000805198912 1078971768 /nfs/dbraw/zinc/97/17/68/1078971768.db2.gz VHWMULYDJLLNGH-LOSJGSFVSA-N 1 0 423.557 2.571 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000805257666 1079000755 /nfs/dbraw/zinc/00/07/55/1079000755.db2.gz BTKIAZKMTHJHQS-KDOFPFPSSA-N 1 0 401.429 2.644 20 0 HFADRO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747235339 1079007990 /nfs/dbraw/zinc/00/79/90/1079007990.db2.gz CNDQPPRTRXZXKW-JKSUJKDBSA-N 1 0 402.520 2.572 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236678 1079011853 /nfs/dbraw/zinc/01/18/53/1079011853.db2.gz NUJSXPFXUKUCJT-CHWSQXEVSA-N 1 0 412.387 2.623 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236690 1079012108 /nfs/dbraw/zinc/01/21/08/1079012108.db2.gz NUJSXPFXUKUCJT-STQMWFEESA-N 1 0 412.387 2.623 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000805332880 1079022703 /nfs/dbraw/zinc/02/27/03/1079022703.db2.gz BWFBOFAIAJHFCX-CZUORRHYSA-N 1 0 404.312 2.729 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000747241697 1079056320 /nfs/dbraw/zinc/05/63/20/1079056320.db2.gz OXTWAFQMSZLFQE-SDNWHVSQSA-N 1 0 402.516 2.625 20 0 HFADRO CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[nH]1 ZINC001130209911 1079087323 /nfs/dbraw/zinc/08/73/23/1079087323.db2.gz QKBUBEPFTKELSV-SPOLIRPYSA-N 1 0 401.555 2.531 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000747247141 1079104425 /nfs/dbraw/zinc/10/44/25/1079104425.db2.gz IPYWQLSIBJCVPW-ZIAGYGMSSA-N 1 0 407.319 2.685 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000747253604 1079152913 /nfs/dbraw/zinc/15/29/13/1079152913.db2.gz MULSYFNVLRNKCS-OSGYOQLFSA-N 1 0 406.548 2.899 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000747254175 1079168056 /nfs/dbraw/zinc/16/80/56/1079168056.db2.gz NWCRYJISRHJCRZ-GFAXEHQMSA-N 1 0 414.527 2.987 20 0 HFADRO COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC001130301391 1079193219 /nfs/dbraw/zinc/19/32/19/1079193219.db2.gz MTUQTOGQYFITCI-PVAVHDDUSA-N 1 0 405.926 2.835 20 0 HFADRO CC[C@H]1CC([NH+]2CCC3(CC2)COCC(=O)N3)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170485135 1079195102 /nfs/dbraw/zinc/19/51/02/1079195102.db2.gz UFKJHHNLMCCRPU-IRXDYDNUSA-N 1 0 409.571 2.924 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)cc1Cl ZINC000747261456 1079199434 /nfs/dbraw/zinc/19/94/34/1079199434.db2.gz FWTWGNWHNGLEPP-NSHDSACASA-N 1 0 407.319 2.639 20 0 HFADRO C[NH+]1CCN(C[C@H](NS(=O)(=O)/C=C\c2ccc(F)cc2)c2ccccc2)CC1 ZINC000747262875 1079201746 /nfs/dbraw/zinc/20/17/46/1079201746.db2.gz JRQLRJZDNXWJPE-NIHHCSOHSA-N 1 0 403.523 2.705 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1C ZINC000805675124 1079214362 /nfs/dbraw/zinc/21/43/62/1079214362.db2.gz JDGZEWZFLIYNFO-NRFANRHFSA-N 1 0 408.546 2.828 20 0 HFADRO C[C@@H](OC(=O)c1cc(-n2cccc2)ccn1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805711391 1079232396 /nfs/dbraw/zinc/23/23/96/1079232396.db2.gz JPYBGSVYKPAMEM-QUCCMNQESA-N 1 0 418.497 2.808 20 0 HFADRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805749954 1079230282 /nfs/dbraw/zinc/23/02/82/1079230282.db2.gz VJFJCJUEHYQSQG-PKOBYXMFSA-N 1 0 402.539 2.934 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747268671 1079251602 /nfs/dbraw/zinc/25/16/02/1079251602.db2.gz VXEVYEWGQFJICC-LLVKDONJSA-N 1 0 409.335 2.933 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000805764340 1079264968 /nfs/dbraw/zinc/26/49/68/1079264968.db2.gz CKJTUPGDMNFSAC-KRWDZBQOSA-N 1 0 410.559 2.914 20 0 HFADRO COCCCOc1ccc(CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000805759719 1079261182 /nfs/dbraw/zinc/26/11/82/1079261182.db2.gz MOYSISFWYOOJTP-OAQYLSRUSA-N 1 0 405.539 2.545 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000805765699 1079265979 /nfs/dbraw/zinc/26/59/79/1079265979.db2.gz OOSXILUPXSOYQQ-OALUTQOASA-N 1 0 417.550 2.876 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001130369495 1079267727 /nfs/dbraw/zinc/26/77/27/1079267727.db2.gz FPSKLIKXMNORAY-PDOICOKGSA-N 1 0 414.550 2.903 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000805766033 1079268203 /nfs/dbraw/zinc/26/82/03/1079268203.db2.gz VYJJVOIHRXGEAP-KRWDZBQOSA-N 1 0 419.522 2.801 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000805767124 1079269487 /nfs/dbraw/zinc/26/94/87/1079269487.db2.gz DSROIYNWFNSJTI-NQIIRXRSSA-N 1 0 424.545 2.731 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(Cl)cc1Cl ZINC000747269340 1079276751 /nfs/dbraw/zinc/27/67/51/1079276751.db2.gz MZLNSUGKDLBSGL-LLVKDONJSA-N 1 0 407.319 2.543 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCCC[NH+]3CCCCC3)C2)cc1 ZINC000805818582 1079290384 /nfs/dbraw/zinc/29/03/84/1079290384.db2.gz JKCHWKCDMRJRIA-OAQYLSRUSA-N 1 0 414.594 2.852 20 0 HFADRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000805818912 1079291652 /nfs/dbraw/zinc/29/16/52/1079291652.db2.gz NAIGOJWLRXWPNN-UHFFFAOYSA-N 1 0 415.578 2.705 20 0 HFADRO CCOC(=O)c1sc2nc(C[NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)nc(N)c2c1C ZINC001170490471 1079317293 /nfs/dbraw/zinc/31/72/93/1079317293.db2.gz MHINHYCDCHSMST-XJKSGUPXSA-N 1 0 404.536 2.645 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)cc1Cl ZINC000747276268 1079340115 /nfs/dbraw/zinc/34/01/15/1079340115.db2.gz FGTONUNPJVAWRM-HZMBPMFUSA-N 1 0 409.335 2.741 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cc2)CC1 ZINC001170494200 1079364352 /nfs/dbraw/zinc/36/43/52/1079364352.db2.gz WPAUDZCGZGIAMR-XNIRIUNOSA-N 1 0 408.502 2.778 20 0 HFADRO CN(OCc1ccccc1)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000805973042 1079381097 /nfs/dbraw/zinc/38/10/97/1079381097.db2.gz GJQSBTPCBGKBKH-FRIKZZABSA-N 1 0 407.514 2.888 20 0 HFADRO COC(=O)CC[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)O1 ZINC001130459010 1079383024 /nfs/dbraw/zinc/38/30/24/1079383024.db2.gz YJEUXMVRAQZUPE-WRJHFWDFSA-N 1 0 402.535 2.997 20 0 HFADRO CC[C@H]1CC(N([C@@H]2CCC[NH2+]C2)S(C)(=O)=O)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170495859 1079391223 /nfs/dbraw/zinc/39/12/23/1079391223.db2.gz DJMPSGXFCNKTSI-YESZJQIVSA-N 1 0 417.616 2.957 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(-c4ncn(C)n4)cc3)cc2)CC1 ZINC001170496659 1079402612 /nfs/dbraw/zinc/40/26/12/1079402612.db2.gz YNYHBTCKIRKMHA-LRYGQEGESA-N 1 0 404.518 2.854 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccccc2)CC1=O ZINC001130498902 1079415477 /nfs/dbraw/zinc/41/54/77/1079415477.db2.gz HUCKMUVYBFZETG-UHFFFAOYSA-N 1 0 418.541 3.000 20 0 HFADRO CC[C@H]1CC([NH+]2CCC3(CC2)NC(=O)NC3=O)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170497628 1079410739 /nfs/dbraw/zinc/41/07/39/1079410739.db2.gz SKLNVYKYLGPQSX-GJZGRUSLSA-N 1 0 408.543 2.617 20 0 HFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1-n1cncn1 ZINC001130519841 1079451521 /nfs/dbraw/zinc/45/15/21/1079451521.db2.gz XVQUEZRQRDYINF-HOTGVXAUSA-N 1 0 404.312 2.777 20 0 HFADRO CCOc1ccc(OCC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130529257 1079465368 /nfs/dbraw/zinc/46/53/68/1079465368.db2.gz UEJASVJNUPPUGT-GOTSBHOMSA-N 1 0 410.514 2.966 20 0 HFADRO COc1ccc(OC)c(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130528790 1079465390 /nfs/dbraw/zinc/46/53/90/1079465390.db2.gz PMNKGOXQYLZSOK-JTHBVZDNSA-N 1 0 410.514 2.748 20 0 HFADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCCC[C@H]2COC(=O)NC)CC1 ZINC000806154088 1079469182 /nfs/dbraw/zinc/46/91/82/1079469182.db2.gz BERIEXJLWREMRF-KRWDZBQOSA-N 1 0 403.527 2.571 20 0 HFADRO O=C(N[C@H](Cn1cccn1)c1ccccc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806164633 1079475123 /nfs/dbraw/zinc/47/51/23/1079475123.db2.gz YTDGLDKAJZWAAK-LZBANZJXSA-N 1 0 423.561 2.654 20 0 HFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806182885 1079477217 /nfs/dbraw/zinc/47/72/17/1079477217.db2.gz GFNXUPNPULSNKE-CABCVRRESA-N 1 0 422.938 2.505 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000806209518 1079494704 /nfs/dbraw/zinc/49/47/04/1079494704.db2.gz ACQFWTSFYDSCJN-KRWDZBQOSA-N 1 0 403.401 2.586 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000806248954 1079501428 /nfs/dbraw/zinc/50/14/28/1079501428.db2.gz PNLMSEGUJIYYLH-WMLDXEAASA-N 1 0 402.520 2.973 20 0 HFADRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000746676205 1076750419 /nfs/dbraw/zinc/75/04/19/1076750419.db2.gz IEOYNXSHOABBAV-MJGOQNOKSA-N 1 0 412.534 2.616 20 0 HFADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC1CC[NH+](Cc3ccco3)CC1)C2=O ZINC000772698691 1076756438 /nfs/dbraw/zinc/75/64/38/1076756438.db2.gz OHTWRQPHFJDFQH-AOMKIAJQSA-N 1 0 417.506 2.536 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322284 1076766261 /nfs/dbraw/zinc/76/62/61/1076766261.db2.gz CZESIGJXWQVRAU-OKZBNKHCSA-N 1 0 424.586 2.717 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000787323197 1076767304 /nfs/dbraw/zinc/76/73/04/1076767304.db2.gz ARYNJTNROFFFOW-ZHALLVOQSA-N 1 0 424.586 2.527 20 0 HFADRO C[NH+](C)CCOCCNC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000787324309 1076768356 /nfs/dbraw/zinc/76/83/56/1076768356.db2.gz SOKJGGUZPIZTPQ-UHFFFAOYSA-N 1 0 411.546 2.925 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787376918 1076779263 /nfs/dbraw/zinc/77/92/63/1076779263.db2.gz NQRVWXYHTABTRC-CVEARBPZSA-N 1 0 405.543 2.738 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000787338085 1076782756 /nfs/dbraw/zinc/78/27/56/1076782756.db2.gz YLJGPBPACNCBHV-UHFFFAOYSA-N 1 0 423.966 2.624 20 0 HFADRO Cc1ccnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1Br ZINC001170072582 1076802559 /nfs/dbraw/zinc/80/25/59/1076802559.db2.gz CCUACISCQIWQPX-UHFFFAOYSA-N 1 0 421.320 2.855 20 0 HFADRO C[C@@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C(C)(C)C[NH+](C)C ZINC000787387985 1076804211 /nfs/dbraw/zinc/80/42/11/1076804211.db2.gz QKHOJDSIUMMHOR-HUUCEWRRSA-N 1 0 407.559 2.840 20 0 HFADRO [NH3+]CCN(c1ccc(F)c(C2OCCO2)c1)S(=O)(=O)c1cccc2cnccc21 ZINC001170072715 1076805646 /nfs/dbraw/zinc/80/56/46/1076805646.db2.gz FISNZHXIFKWRHT-UHFFFAOYSA-N 1 0 417.462 2.573 20 0 HFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1)[NH+]1CCCCC1 ZINC000787470083 1076834514 /nfs/dbraw/zinc/83/45/14/1076834514.db2.gz FJRPZAZMFYCPIM-HNNXBMFYSA-N 1 0 400.454 2.942 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000787531612 1076850728 /nfs/dbraw/zinc/85/07/28/1076850728.db2.gz DIFIVLPQTIIWNK-UHFFFAOYSA-N 1 0 422.574 2.572 20 0 HFADRO CC(C)Cn1nc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c2ccccc2c1=O ZINC000787587607 1076861334 /nfs/dbraw/zinc/86/13/34/1076861334.db2.gz ZKOGAAQOAQDIKM-UHFFFAOYSA-N 1 0 414.550 2.625 20 0 HFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787580107 1076871036 /nfs/dbraw/zinc/87/10/36/1076871036.db2.gz CBFLCUJKEAESAW-HZPDHXFCSA-N 1 0 405.543 2.690 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCC3CC[NH+](C4CC4)CC3)[nH]n2)C1 ZINC000787586360 1076874104 /nfs/dbraw/zinc/87/41/04/1076874104.db2.gz NAIQLMFAXBWPOM-MRXNPFEDSA-N 1 0 417.554 2.738 20 0 HFADRO C[C@H]1CN(c2ccc(N[C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)nn2)CC[NH2+]1 ZINC001170075659 1076881629 /nfs/dbraw/zinc/88/16/29/1076881629.db2.gz FEBRLLXDRYCYOU-RXVVDRJESA-N 1 0 422.577 2.747 20 0 HFADRO CN(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccsc1 ZINC000787652216 1076898204 /nfs/dbraw/zinc/89/82/04/1076898204.db2.gz IBENZBRUXFAFKO-HXUWFJFHSA-N 1 0 420.623 2.628 20 0 HFADRO CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000787663224 1076903111 /nfs/dbraw/zinc/90/31/11/1076903111.db2.gz CTPHQCWHWHKCMG-QGZVFWFLSA-N 1 0 411.468 2.869 20 0 HFADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000787664391 1076903578 /nfs/dbraw/zinc/90/35/78/1076903578.db2.gz HTYHAEASZPCLBZ-QHCPKHFHSA-N 1 0 405.542 2.554 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000787669663 1076905716 /nfs/dbraw/zinc/90/57/16/1076905716.db2.gz KLPSLSOQJSPXDE-NRFANRHFSA-N 1 0 403.567 2.648 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1)C1CCCCC1 ZINC000787686668 1076911869 /nfs/dbraw/zinc/91/18/69/1076911869.db2.gz FIFWTANQKXQNHU-UHFFFAOYSA-N 1 0 423.561 2.528 20 0 HFADRO CN1CC[C@H]([NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000787687719 1076912153 /nfs/dbraw/zinc/91/21/53/1076912153.db2.gz HTFWXBMYCGAXND-PWRODBHTSA-N 1 0 424.513 2.611 20 0 HFADRO O=C(NC1CCCCC1)[C@H](Cc1ccccc1)Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001170076841 1076912206 /nfs/dbraw/zinc/91/22/06/1076912206.db2.gz UNOWEEZCPUIFHC-QFIPXVFZSA-N 1 0 407.562 2.963 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000787705944 1076919619 /nfs/dbraw/zinc/91/96/19/1076919619.db2.gz MHMQWAVAIMHBNJ-KRWDZBQOSA-N 1 0 407.559 2.725 20 0 HFADRO CC(C)COC(=O)N1CCC[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787706676 1076920470 /nfs/dbraw/zinc/92/04/70/1076920470.db2.gz CATMPABONVDTQG-UTKZUKDTSA-N 1 0 413.559 2.547 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000787709541 1076921669 /nfs/dbraw/zinc/92/16/69/1076921669.db2.gz XVPSRLKMFWJTFJ-JQVVWYNYSA-N 1 0 415.578 2.755 20 0 HFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000787751832 1076927065 /nfs/dbraw/zinc/92/70/65/1076927065.db2.gz RZUISWJSGLSMRB-SFHVURJKSA-N 1 0 417.531 2.738 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C2CC2)C1 ZINC000787762999 1076930267 /nfs/dbraw/zinc/93/02/67/1076930267.db2.gz TUYREMFANSWLNX-BHYGNILZSA-N 1 0 421.504 2.875 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000787767679 1076941417 /nfs/dbraw/zinc/94/14/17/1076941417.db2.gz WOZPGLSNELBQPQ-UHFFFAOYSA-N 1 0 405.358 2.657 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)[C@H]3C[C@]34CCN(C(=O)OC(C)(C)C)C4)n2)CC1 ZINC000787771527 1076942065 /nfs/dbraw/zinc/94/20/65/1076942065.db2.gz REEDSBOWJUMOGU-IERDGZPVSA-N 1 0 403.527 2.735 20 0 HFADRO Cc1ccc(-n2c(Cl)c(CNC[C@@H](C)C[NH+]3CCOCC3)nc2N(C)C)cc1 ZINC000787771896 1076942211 /nfs/dbraw/zinc/94/22/11/1076942211.db2.gz GDILPBHCLHHOGY-QGZVFWFLSA-N 1 0 405.974 2.958 20 0 HFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787833789 1076957522 /nfs/dbraw/zinc/95/75/22/1076957522.db2.gz AGKDDZCONLZNHG-FQEVSTJZSA-N 1 0 405.901 2.841 20 0 HFADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)cnc2Cl)[NH+]2CCCC2)c1 ZINC000787874536 1076970307 /nfs/dbraw/zinc/97/03/07/1076970307.db2.gz RKUKOPKSNUKCSJ-SFHVURJKSA-N 1 0 416.909 2.944 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000787884657 1076976728 /nfs/dbraw/zinc/97/67/28/1076976728.db2.gz VWGCHDCRMPBGAN-KRWDZBQOSA-N 1 0 400.910 2.663 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1 ZINC000787888227 1076978820 /nfs/dbraw/zinc/97/88/20/1076978820.db2.gz BSTBHHLGAPDUQY-JOCHJYFZSA-N 1 0 401.482 2.630 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)CCC2 ZINC000787893488 1076980862 /nfs/dbraw/zinc/98/08/62/1076980862.db2.gz GGMPKBVXHKXVMS-IBGZPJMESA-N 1 0 403.571 2.586 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CCC2 ZINC000787904469 1076988318 /nfs/dbraw/zinc/98/83/18/1076988318.db2.gz SSWRCPSOZJVJPM-IEBWSBKVSA-N 1 0 403.571 2.728 20 0 HFADRO O=C(NCCc1c(F)cccc1F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787911242 1076991763 /nfs/dbraw/zinc/99/17/63/1076991763.db2.gz NLHIJKQMVQPADR-UHFFFAOYSA-N 1 0 407.505 2.784 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000787913045 1076993203 /nfs/dbraw/zinc/99/32/03/1076993203.db2.gz UXRUQPUEZJIKLE-RTWAWAEBSA-N 1 0 414.594 2.708 20 0 HFADRO CC(C)CCC[C@@H](C)[N@@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC001170079626 1076995481 /nfs/dbraw/zinc/99/54/81/1076995481.db2.gz FESAZUDYQHQNOP-KNKQGSTJSA-N 1 0 404.555 2.671 20 0 HFADRO CCCCCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000787920066 1076996821 /nfs/dbraw/zinc/99/68/21/1076996821.db2.gz QWKPRXLSKNGKRU-UHFFFAOYSA-N 1 0 401.507 2.669 20 0 HFADRO O=C(Nc1ccc2cc(Br)ccc2c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000787920149 1076997146 /nfs/dbraw/zinc/99/71/46/1076997146.db2.gz VRMVUXUHTZWTLW-UHFFFAOYSA-N 1 0 402.292 2.847 20 0 HFADRO COC(=O)c1cnc(N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(F)(F)F ZINC000787900121 1077004261 /nfs/dbraw/zinc/00/42/61/1077004261.db2.gz XZMUOXSSYUAIDM-MJBXVCDLSA-N 1 0 401.429 2.965 20 0 HFADRO CCOC(=O)c1ncn(C2CC[NH+](CC(=O)NC3CCCCCCC3)CC2)c1N ZINC000787997895 1077023766 /nfs/dbraw/zinc/02/37/66/1077023766.db2.gz DCWCQJUIMQSRFD-UHFFFAOYSA-N 1 0 405.543 2.508 20 0 HFADRO CCOCN(C(=O)CN1CC[NH+](C[C@H]2CCOC2)CC1)c1c(C)cccc1CC ZINC000788023043 1077033784 /nfs/dbraw/zinc/03/37/84/1077033784.db2.gz RZXGQODQSYTORJ-HXUWFJFHSA-N 1 0 403.567 2.539 20 0 HFADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787989780 1077033833 /nfs/dbraw/zinc/03/38/33/1077033833.db2.gz QWUWTRMOJVZILT-UHFFFAOYSA-N 1 0 416.566 2.646 20 0 HFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)C1 ZINC001626111836 1077048490 /nfs/dbraw/zinc/04/84/90/1077048490.db2.gz SWXBEXAJVAACGW-HOTGVXAUSA-N 1 0 405.543 2.704 20 0 HFADRO COc1sc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1Br ZINC000746730690 1077070673 /nfs/dbraw/zinc/07/06/73/1077070673.db2.gz LEMPCXQJDUODDA-LBPRGKRZSA-N 1 0 414.247 2.792 20 0 HFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)C1 ZINC000788207170 1077079556 /nfs/dbraw/zinc/07/95/56/1077079556.db2.gz FGMRYPRFQDPTQD-XUZZJYLKSA-N 1 0 408.498 2.670 20 0 HFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000788244773 1077085694 /nfs/dbraw/zinc/08/56/94/1077085694.db2.gz ITWWRGWNNIJSMF-MSOLQXFVSA-N 1 0 411.568 2.910 20 0 HFADRO CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788252104 1077087347 /nfs/dbraw/zinc/08/73/47/1077087347.db2.gz YNWIKVHNOACALW-RBUKOAKNSA-N 1 0 410.603 2.745 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000788256653 1077087870 /nfs/dbraw/zinc/08/78/70/1077087870.db2.gz VVDVDMKKSOCHLQ-RNQOJCNYSA-N 1 0 419.566 2.736 20 0 HFADRO CCNC(=O)N1CC[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000788257887 1077087975 /nfs/dbraw/zinc/08/79/75/1077087975.db2.gz OSFXADJKFQJPQD-NZSAHSFTSA-N 1 0 404.555 2.904 20 0 HFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ncc1Cl ZINC000788307608 1077093158 /nfs/dbraw/zinc/09/31/58/1077093158.db2.gz KQKHJCMPNVCGLV-CABCVRRESA-N 1 0 416.747 2.995 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)[NH+]1CCCCC1 ZINC000788286856 1077097961 /nfs/dbraw/zinc/09/79/61/1077097961.db2.gz CPJQEVXINJAUEB-MJGOQNOKSA-N 1 0 424.549 2.915 20 0 HFADRO C[C@H](OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000772718432 1077099824 /nfs/dbraw/zinc/09/98/24/1077099824.db2.gz JFGHEIRSBKVJIU-KRWDZBQOSA-N 1 0 423.513 2.958 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742953 1077114830 /nfs/dbraw/zinc/11/48/30/1077114830.db2.gz ATJMEXGJWNORGU-HUUCEWRRSA-N 1 0 401.442 2.738 20 0 HFADRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788429385 1077143872 /nfs/dbraw/zinc/14/38/72/1077143872.db2.gz JOZVDDONAYECHO-HRAATJIYSA-N 1 0 422.595 2.709 20 0 HFADRO COc1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cnc1Br ZINC000788431805 1077144788 /nfs/dbraw/zinc/14/47/88/1077144788.db2.gz XRUNLEKHEFXING-UHFFFAOYSA-N 1 0 405.296 2.857 20 0 HFADRO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C2=O ZINC000788464556 1077168662 /nfs/dbraw/zinc/16/86/62/1077168662.db2.gz NIHSHPCQFXOBCZ-SYTLLRCSSA-N 1 0 412.534 2.519 20 0 HFADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000788525155 1077191112 /nfs/dbraw/zinc/19/11/12/1077191112.db2.gz BVVOOTGQWBQABZ-GOEBONIOSA-N 1 0 417.497 2.867 20 0 HFADRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000788525157 1077191260 /nfs/dbraw/zinc/19/12/60/1077191260.db2.gz BVVOOTGQWBQABZ-HOCLYGCPSA-N 1 0 417.497 2.867 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000788484246 1077191997 /nfs/dbraw/zinc/19/19/97/1077191997.db2.gz YLDLEHDLRWBOCQ-UHFFFAOYSA-N 1 0 422.614 2.700 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]CCn2ccnc2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788581447 1077212332 /nfs/dbraw/zinc/21/23/32/1077212332.db2.gz ARZYMYHHUDSFRY-INIZCTEOSA-N 1 0 408.543 2.750 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788594526 1077216788 /nfs/dbraw/zinc/21/67/88/1077216788.db2.gz VWTPBSGEJYUXHA-OXQOHEQNSA-N 1 0 400.560 2.952 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CCN(Cc4ccccc4)C[C@H]3CO)C2)C1 ZINC000788601394 1077219237 /nfs/dbraw/zinc/21/92/37/1077219237.db2.gz JGFAKPBRQRPOJB-FPOVZHCZSA-N 1 0 415.578 2.859 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000788602224 1077220193 /nfs/dbraw/zinc/22/01/93/1077220193.db2.gz LWOLDIXVHIQAPT-IAGOWNOFSA-N 1 0 413.971 2.727 20 0 HFADRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000788605597 1077221262 /nfs/dbraw/zinc/22/12/62/1077221262.db2.gz ATKGVKIKNFPARD-IPMKNSEASA-N 1 0 418.538 2.934 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000788643846 1077222868 /nfs/dbraw/zinc/22/28/68/1077222868.db2.gz BRDIXIPFLQLGDB-NJYVYQBISA-N 1 0 422.529 2.665 20 0 HFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000788618851 1077230516 /nfs/dbraw/zinc/23/05/16/1077230516.db2.gz BJIFCERMGFIHPG-UXHICEINSA-N 1 0 420.579 2.527 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)cn1 ZINC000788618888 1077230601 /nfs/dbraw/zinc/23/06/01/1077230601.db2.gz BREACNYAKKXFBG-UHFFFAOYSA-N 1 0 406.918 2.816 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)=NO1 ZINC000788621918 1077232150 /nfs/dbraw/zinc/23/21/50/1077232150.db2.gz ZBVNHVVQCGNTOI-HKUYNNGSSA-N 1 0 416.522 2.609 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000788629259 1077235752 /nfs/dbraw/zinc/23/57/52/1077235752.db2.gz ZPAWLNZDGIWNBI-QGZVFWFLSA-N 1 0 411.568 2.816 20 0 HFADRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000788638361 1077241794 /nfs/dbraw/zinc/24/17/94/1077241794.db2.gz KHVFPLIWFMKIAY-GFCCVEGCSA-N 1 0 408.973 2.849 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788681275 1077248628 /nfs/dbraw/zinc/24/86/28/1077248628.db2.gz GCHJZKBRHCMLDB-NRFANRHFSA-N 1 0 423.579 2.912 20 0 HFADRO C[NH+](C)CCCNC(=S)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000788686144 1077250237 /nfs/dbraw/zinc/25/02/37/1077250237.db2.gz WSZJJNQAWZUXII-AWEZNQCLSA-N 1 0 403.379 2.905 20 0 HFADRO CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788685894 1077250584 /nfs/dbraw/zinc/25/05/84/1077250584.db2.gz UQMNBKUIBIQUFD-PMACEKPBSA-N 1 0 410.518 2.859 20 0 HFADRO CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788686226 1077250599 /nfs/dbraw/zinc/25/05/99/1077250599.db2.gz YSKNRSRFYGNHCK-ZWKOTPCHSA-N 1 0 400.548 2.793 20 0 HFADRO CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788685896 1077250852 /nfs/dbraw/zinc/25/08/52/1077250852.db2.gz UQMNBKUIBIQUFD-VQTJNVASSA-N 1 0 410.518 2.859 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2nnc(CC)[nH]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788691164 1077252110 /nfs/dbraw/zinc/25/21/10/1077252110.db2.gz XWFSVIAMMAVFDV-HUUCEWRRSA-N 1 0 423.558 2.987 20 0 HFADRO COc1cccc([C@@H](CNC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)[NH+](C)C)c1 ZINC000788692950 1077253309 /nfs/dbraw/zinc/25/33/09/1077253309.db2.gz RPOSDINVCRNUSU-ZWKOTPCHSA-N 1 0 403.523 2.671 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+][C@H](C)Cn2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788653829 1077253913 /nfs/dbraw/zinc/25/39/13/1077253913.db2.gz ZAAGUYPRXFVRHK-SJORKVTESA-N 1 0 408.543 2.830 20 0 HFADRO CO[C@H]1CCOc2c(NC(=O)C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)cccc21 ZINC000790957904 1077254490 /nfs/dbraw/zinc/25/44/90/1077254490.db2.gz HWWCPYICGXVVTK-FQEVSTJZSA-N 1 0 411.502 2.815 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c(C)c1Cl ZINC000788661038 1077257371 /nfs/dbraw/zinc/25/73/71/1077257371.db2.gz HMMDIDOXSDTFRT-UHFFFAOYSA-N 1 0 408.973 2.849 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788667077 1077260078 /nfs/dbraw/zinc/26/00/78/1077260078.db2.gz FLGOMEVEBGMEAU-DOTOQJQBSA-N 1 0 420.554 2.826 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)=NO1 ZINC000788672807 1077262831 /nfs/dbraw/zinc/26/28/31/1077262831.db2.gz JVURQJZMWJQVKS-GOSISDBHSA-N 1 0 416.522 2.933 20 0 HFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000790999572 1077264648 /nfs/dbraw/zinc/26/46/48/1077264648.db2.gz ZENVFIKYQNRCQG-QAPCUYQASA-N 1 0 403.976 2.625 20 0 HFADRO CCOC(=O)[C@H]1[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)CCN1C(=O)OC(C)(C)C ZINC000788719208 1077270621 /nfs/dbraw/zinc/27/06/21/1077270621.db2.gz PTHAYLOEDIFEDP-IAGOWNOFSA-N 1 0 401.467 2.620 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)CCN1C(=O)OC(C)(C)C ZINC000788754122 1077277246 /nfs/dbraw/zinc/27/72/46/1077277246.db2.gz OTBDBBNLQYPFBR-MSOLQXFVSA-N 1 0 406.523 2.945 20 0 HFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000791063413 1077286884 /nfs/dbraw/zinc/28/68/84/1077286884.db2.gz ORXGMZIXLAYXCD-UHFFFAOYSA-N 1 0 420.506 2.611 20 0 HFADRO O=C(c1cnc(Br)c(Cl)c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000791072237 1077289566 /nfs/dbraw/zinc/28/95/66/1077289566.db2.gz GGWTZMVGNLFPDZ-GFCCVEGCSA-N 1 0 402.720 2.682 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H](C(N)=O)c3cccc(Br)c3)C2)C1 ZINC000788801799 1077292631 /nfs/dbraw/zinc/29/26/31/1077292631.db2.gz CKAAJHOUBYNPOW-OAHLLOKOSA-N 1 0 424.339 2.965 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]CCc2cnccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788801782 1077292672 /nfs/dbraw/zinc/29/26/72/1077292672.db2.gz ZRUGLJGOVIYKOE-MRXNPFEDSA-N 1 0 406.527 2.578 20 0 HFADRO CC(C)(NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777641 1077298836 /nfs/dbraw/zinc/29/88/36/1077298836.db2.gz KWJZDYZESQBGSI-ZBFHGGJFSA-N 1 0 401.429 2.983 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000788816936 1077307432 /nfs/dbraw/zinc/30/74/32/1077307432.db2.gz WYSXUGLVTLSGIO-WOJBJXKFSA-N 1 0 413.562 2.924 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@H](O)c2cc(C)cc(C)c2)CCN1C(=O)OC(C)(C)C ZINC000788821631 1077309554 /nfs/dbraw/zinc/30/95/54/1077309554.db2.gz YCEUBAUWQFIYTH-FHWLQOOXSA-N 1 0 406.523 2.868 20 0 HFADRO O=C(CSc1cccc[n+]1[O-])Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000772727132 1077346028 /nfs/dbraw/zinc/34/60/28/1077346028.db2.gz BVIRJPZRSWXPFG-SFHVURJKSA-N 1 0 409.515 2.694 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000788907901 1077349057 /nfs/dbraw/zinc/34/90/57/1077349057.db2.gz HKJRHRACUDSACT-UHFFFAOYSA-N 1 0 410.946 2.646 20 0 HFADRO CNS(=O)(=O)c1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)cc1 ZINC001170151118 1077353625 /nfs/dbraw/zinc/35/36/25/1077353625.db2.gz XIWALKOLASBUCL-UHFFFAOYSA-N 1 0 424.530 2.504 20 0 HFADRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000788960238 1077363714 /nfs/dbraw/zinc/36/37/14/1077363714.db2.gz MWESNGMBCTWNGQ-INIZCTEOSA-N 1 0 412.328 2.606 20 0 HFADRO O=C(Cc1cccnc1Br)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000791376333 1077386986 /nfs/dbraw/zinc/38/69/86/1077386986.db2.gz VMTMMXKGTYTHMU-UHFFFAOYSA-N 1 0 418.335 2.660 20 0 HFADRO COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000789059496 1077393896 /nfs/dbraw/zinc/39/38/96/1077393896.db2.gz DEWWXKNDBCXNOQ-KRWDZBQOSA-N 1 0 415.509 2.644 20 0 HFADRO Cc1c(Br)ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1F ZINC000789074480 1077397323 /nfs/dbraw/zinc/39/73/23/1077397323.db2.gz FQOVJZDZVQZSIR-UHFFFAOYSA-N 1 0 413.287 2.796 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC000789080352 1077399094 /nfs/dbraw/zinc/39/90/94/1077399094.db2.gz WKRYATDADWKPEF-UHFFFAOYSA-N 1 0 422.485 2.869 20 0 HFADRO O=C(Cc1cccnc1Br)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000791400469 1077399343 /nfs/dbraw/zinc/39/93/43/1077399343.db2.gz XXYZRRMKPHMQMH-SFHVURJKSA-N 1 0 418.335 2.660 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3c[nH]nc3-c3ccoc3)cc2)CC1 ZINC000789084141 1077399677 /nfs/dbraw/zinc/39/96/77/1077399677.db2.gz CNLFFEBVPPPAHE-UHFFFAOYSA-N 1 0 423.473 2.607 20 0 HFADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1N1CCSCC1 ZINC000746787402 1077399868 /nfs/dbraw/zinc/39/98/68/1077399868.db2.gz CQUIFVBTFLAGCE-UHFFFAOYSA-N 1 0 418.607 2.866 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CCSC1 ZINC000789052452 1077402406 /nfs/dbraw/zinc/40/24/06/1077402406.db2.gz LFZTTYJJGFJKOJ-LJQANCHMSA-N 1 0 412.987 2.973 20 0 HFADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000746788716 1077444295 /nfs/dbraw/zinc/44/42/95/1077444295.db2.gz VPTULONJCJGJAQ-UHFFFAOYSA-N 1 0 418.607 2.759 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3cc4ccccc4[nH]3)cc2)CC1 ZINC000747014011 1077446625 /nfs/dbraw/zinc/44/66/25/1077446625.db2.gz IXYHSADKCRNOFY-UHFFFAOYSA-N 1 0 405.502 2.565 20 0 HFADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@H+]3[C@H](C)C[C@@H]3C)C2=O)cc1 ZINC000791575173 1077467873 /nfs/dbraw/zinc/46/78/73/1077467873.db2.gz BIWFEPAACINZEV-FIVYPTPTSA-N 1 0 417.531 2.721 20 0 HFADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@H+]3[C@H](C)C[C@@H]3C)C2=O)cc1 ZINC000791575171 1077467945 /nfs/dbraw/zinc/46/79/45/1077467945.db2.gz BIWFEPAACINZEV-DSVDBUHNSA-N 1 0 417.531 2.721 20 0 HFADRO Cc1ncc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC001086599790 1077477529 /nfs/dbraw/zinc/47/75/29/1077477529.db2.gz JQGNAHBVMRGVKT-CSGHFTSRSA-N 1 0 409.555 2.959 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 ZINC000789294670 1077502270 /nfs/dbraw/zinc/50/22/70/1077502270.db2.gz GCQVATQUGFQAAP-UHFFFAOYSA-N 1 0 424.954 2.948 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791641818 1077506236 /nfs/dbraw/zinc/50/62/36/1077506236.db2.gz LBDZZSJZFPLPAO-WZONZLPQSA-N 1 0 423.513 2.930 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791654292 1077513267 /nfs/dbraw/zinc/51/32/67/1077513267.db2.gz ICUFIHNOPCHNHD-QYZOEREBSA-N 1 0 418.538 2.681 20 0 HFADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000789354728 1077514037 /nfs/dbraw/zinc/51/40/37/1077514037.db2.gz GMJGBTBHOHMTHU-NRFANRHFSA-N 1 0 417.579 2.786 20 0 HFADRO Cc1cccc(OCCCNC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000789355534 1077515127 /nfs/dbraw/zinc/51/51/27/1077515127.db2.gz DRPIKEVNPQBXLD-FQEVSTJZSA-N 1 0 411.502 2.904 20 0 HFADRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789315222 1077516487 /nfs/dbraw/zinc/51/64/87/1077516487.db2.gz PGXWAGXIEVQIOF-OAHLLOKOSA-N 1 0 423.941 2.626 20 0 HFADRO Cc1cc(=O)c(C(=O)OCc2ccnc(N)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000791626819 1077518844 /nfs/dbraw/zinc/51/88/44/1077518844.db2.gz LFFCCBVPRZYJKJ-UHFFFAOYSA-N 1 0 404.348 2.894 20 0 HFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000789384192 1077531462 /nfs/dbraw/zinc/53/14/62/1077531462.db2.gz VVPQYYRGDFAJHT-UXHICEINSA-N 1 0 415.465 2.800 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)cc1N1CCOC1=O ZINC000746804855 1077532365 /nfs/dbraw/zinc/53/23/65/1077532365.db2.gz ZLXOSGICAOBRFH-UHFFFAOYSA-N 1 0 404.511 2.515 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(CO)c2)n1 ZINC000789391868 1077534934 /nfs/dbraw/zinc/53/49/34/1077534934.db2.gz CNCQJVDLRFNASI-UHFFFAOYSA-O 1 0 420.877 2.711 20 0 HFADRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000789395622 1077537054 /nfs/dbraw/zinc/53/70/54/1077537054.db2.gz ZIKVAGZGOVKNDV-QGZVFWFLSA-O 1 0 416.571 2.986 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NC[C@@H](O)c3ccc(Cl)cc3)cccc21 ZINC000789371935 1077542833 /nfs/dbraw/zinc/54/28/33/1077542833.db2.gz PDFAUGQKZHXCDP-QZTJIDSGSA-N 1 0 417.893 2.514 20 0 HFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCc3cccnc3)cc2)C1 ZINC000746804619 1077546407 /nfs/dbraw/zinc/54/64/07/1077546407.db2.gz XBWCENZTMHSBGW-HXUWFJFHSA-N 1 0 422.529 2.789 20 0 HFADRO COc1cc(NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)ccc1Cl ZINC000789378626 1077547115 /nfs/dbraw/zinc/54/71/15/1077547115.db2.gz TUWOXDZZVXTOST-UHFFFAOYSA-N 1 0 403.910 2.920 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000789378215 1077547140 /nfs/dbraw/zinc/54/71/40/1077547140.db2.gz PNXCMHCHSFGWOX-UHFFFAOYSA-N 1 0 404.873 2.902 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000746813603 1077555123 /nfs/dbraw/zinc/55/51/23/1077555123.db2.gz YOMNZCYMDVNHPG-INIZCTEOSA-N 1 0 412.490 2.830 20 0 HFADRO CC(C)CC[C@]1(C2CC2)NC(=O)N(CN2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000789425502 1077555810 /nfs/dbraw/zinc/55/58/10/1077555810.db2.gz PYCHVFKLLBFPCP-XMMPIXPASA-N 1 0 412.578 2.941 20 0 HFADRO Cc1ccc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@@H]2CCc3ccccc3C2)c1 ZINC000789401067 1077559108 /nfs/dbraw/zinc/55/91/08/1077559108.db2.gz BWMTZZOPAJDVAZ-GOSISDBHSA-O 1 0 406.535 2.769 20 0 HFADRO Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@@H]2CCc3ccccc3C2)cc1 ZINC000789406073 1077562403 /nfs/dbraw/zinc/56/24/03/1077562403.db2.gz UIVLRWLEAKNZDU-GOSISDBHSA-O 1 0 406.535 2.769 20 0 HFADRO Cc1ccc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@@H]2CCOc3ccccc32)c1 ZINC000789406306 1077562913 /nfs/dbraw/zinc/56/29/13/1077562913.db2.gz XPRUDANGJPMYAB-MRXNPFEDSA-O 1 0 408.507 2.736 20 0 HFADRO COc1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(CO)c2)c(OC)c1 ZINC000789410148 1077564149 /nfs/dbraw/zinc/56/41/49/1077564149.db2.gz CRZGEJLCAWBWNS-UHFFFAOYSA-O 1 0 401.508 2.837 20 0 HFADRO CON(C)C(=O)c1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791817149 1077566061 /nfs/dbraw/zinc/56/60/61/1077566061.db2.gz DJWYMVRIBLWJCE-BGYRXZFFSA-N 1 0 408.502 2.916 20 0 HFADRO O=C(Nc1ccn(Cc2ccccn2)n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791825981 1077575218 /nfs/dbraw/zinc/57/52/18/1077575218.db2.gz RSCIGXHQWWUADH-BGYRXZFFSA-N 1 0 402.502 2.922 20 0 HFADRO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791827757 1077576222 /nfs/dbraw/zinc/57/62/22/1077576222.db2.gz IVPUTGNUZDTFEC-GOSISDBHSA-N 1 0 422.497 2.864 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000746814379 1077577078 /nfs/dbraw/zinc/57/70/78/1077577078.db2.gz QQZGYOSRIRCFLL-NRFANRHFSA-N 1 0 416.566 2.575 20 0 HFADRO Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791938112 1077599431 /nfs/dbraw/zinc/59/94/31/1077599431.db2.gz DQSTTWTYKXMQMW-VRKOCGLQSA-N 1 0 414.513 2.570 20 0 HFADRO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940587 1077600544 /nfs/dbraw/zinc/60/05/44/1077600544.db2.gz VVRGUSGANYACIK-HNKWTMLBSA-N 1 0 413.587 2.835 20 0 HFADRO CCOC(=O)C1C(C[N@@H+]2CCC[C@]2(CO)CC(C)C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000789507604 1077601305 /nfs/dbraw/zinc/60/13/05/1077601305.db2.gz SRBUINVXDTWIQA-NFBKMPQASA-N 1 0 415.534 2.731 20 0 HFADRO Cc1cc2cc(NCCN3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2c[nH+]1 ZINC001170108233 1077601374 /nfs/dbraw/zinc/60/13/74/1077601374.db2.gz LRHBPKDXCJZCHX-UHFFFAOYSA-N 1 0 410.543 2.962 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)CC1 ZINC000791945664 1077603833 /nfs/dbraw/zinc/60/38/33/1077603833.db2.gz UPGKUKGTYPSESR-UHFFFAOYSA-N 1 0 403.567 2.922 20 0 HFADRO CCOC(=O)N1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000789514180 1077605965 /nfs/dbraw/zinc/60/59/65/1077605965.db2.gz PMFFZXDZYSOVEB-UHFFFAOYSA-N 1 0 417.428 2.711 20 0 HFADRO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000791974829 1077617705 /nfs/dbraw/zinc/61/77/05/1077617705.db2.gz JLVSCTIAZPORDV-PXNSSMCTSA-N 1 0 423.513 2.998 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000791986379 1077623867 /nfs/dbraw/zinc/62/38/67/1077623867.db2.gz QHSIYTKNBLEGAY-CBQOVEMMSA-N 1 0 417.509 2.648 20 0 HFADRO O=C(NCc1ccc(-n2ccnc2)nc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792007778 1077645951 /nfs/dbraw/zinc/64/59/51/1077645951.db2.gz UPJDGSFSIIWJNY-UHFFFAOYSA-N 1 0 422.455 2.872 20 0 HFADRO CCC[C@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H](O)c1ccccc1 ZINC000792010793 1077648499 /nfs/dbraw/zinc/64/84/99/1077648499.db2.gz AOZCICFELDAPDR-UNMCSNQZSA-N 1 0 411.550 2.535 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792059264 1077666035 /nfs/dbraw/zinc/66/60/35/1077666035.db2.gz ZQASFMFOFGMYTK-LJQANCHMSA-N 1 0 410.603 2.558 20 0 HFADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c(C)c1 ZINC000789560033 1077678109 /nfs/dbraw/zinc/67/81/09/1077678109.db2.gz DWFYFGSXYHUWEU-IBGZPJMESA-N 1 0 403.486 2.876 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)C2(c3ccc(F)cc3F)CCOCC2)CC1 ZINC000792071625 1077678877 /nfs/dbraw/zinc/67/88/77/1077678877.db2.gz ASXYRSXWAXVCGS-UHFFFAOYSA-N 1 0 410.505 2.972 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)C2)c1 ZINC000792035193 1077686827 /nfs/dbraw/zinc/68/68/27/1077686827.db2.gz XSUGUBFSCXQGQL-HSZRJFAPSA-N 1 0 423.513 2.931 20 0 HFADRO O=C(NCc1cccc(N2CCOC2=O)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792045263 1077691463 /nfs/dbraw/zinc/69/14/63/1077691463.db2.gz CCHFTDKQFOVQKY-OYRHEFFESA-N 1 0 420.513 2.917 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)CC1 ZINC000789628079 1077699533 /nfs/dbraw/zinc/69/95/33/1077699533.db2.gz YLRQGXFNADDUAL-UHFFFAOYSA-N 1 0 408.502 2.729 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)c1 ZINC000792079283 1077704531 /nfs/dbraw/zinc/70/45/31/1077704531.db2.gz JGRWSXXTRFYZIL-JOCHJYFZSA-N 1 0 411.502 2.965 20 0 HFADRO CC(C)OC(=O)N1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792085413 1077708889 /nfs/dbraw/zinc/70/88/89/1077708889.db2.gz VUPWLNTWTCIMTB-IBGZPJMESA-N 1 0 402.539 2.817 20 0 HFADRO COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=[NH2+])NOCC(=O)N2CCCCC2)cc1 ZINC000789632984 1077712055 /nfs/dbraw/zinc/71/20/55/1077712055.db2.gz NGOXPOFFJGZLLQ-SFHVURJKSA-N 1 0 420.510 2.772 20 0 HFADRO COCCC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000792092820 1077712740 /nfs/dbraw/zinc/71/27/40/1077712740.db2.gz JELPWCBINFBEIS-FCHUYYIVSA-N 1 0 403.567 2.967 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000792128512 1077715864 /nfs/dbraw/zinc/71/58/64/1077715864.db2.gz DOYKMOJYFJNYRF-NJYVYQBISA-N 1 0 415.582 2.573 20 0 HFADRO COCc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cnn1-c1ccccc1 ZINC000792130925 1077717119 /nfs/dbraw/zinc/71/71/19/1077717119.db2.gz DMOGFRZYHRTTOO-UHFFFAOYSA-N 1 0 400.523 2.592 20 0 HFADRO C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000792143364 1077721258 /nfs/dbraw/zinc/72/12/58/1077721258.db2.gz LOQGBHRERNXRJQ-HZPDHXFCSA-N 1 0 405.543 2.819 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000792150395 1077723499 /nfs/dbraw/zinc/72/34/99/1077723499.db2.gz HQYVAHMKWSPXAF-OALUTQOASA-N 1 0 411.587 2.981 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC3([C@@H](O)c4ccccc4)CC3)cccc21 ZINC000789684920 1077725624 /nfs/dbraw/zinc/72/56/24/1077725624.db2.gz KBGPVKAXUDEQSI-CTNGQTDRSA-N 1 0 423.513 2.640 20 0 HFADRO CCC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H](O)c1ccccc1 ZINC000792165815 1077732269 /nfs/dbraw/zinc/73/22/69/1077732269.db2.gz UMAUXGUNFNDRBI-VABKMULXSA-N 1 0 411.546 2.955 20 0 HFADRO CCC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H](O)c1ccccc1 ZINC000792165819 1077732335 /nfs/dbraw/zinc/73/23/35/1077732335.db2.gz UMAUXGUNFNDRBI-VJBWXMMDSA-N 1 0 411.546 2.955 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000792172090 1077734174 /nfs/dbraw/zinc/73/41/74/1077734174.db2.gz NIUKYNBSCHOJSG-CQSZACIVSA-N 1 0 407.312 2.699 20 0 HFADRO C[NH+](C)C1(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CCOCC1 ZINC000792176762 1077735233 /nfs/dbraw/zinc/73/52/33/1077735233.db2.gz YMJCUUNSRBXIRD-SFHVURJKSA-N 1 0 423.529 2.661 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)C2)c1 ZINC000792199297 1077742846 /nfs/dbraw/zinc/74/28/46/1077742846.db2.gz KKRDXRDEKJWIIQ-KKSFZXQISA-N 1 0 401.507 2.531 20 0 HFADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000792228081 1077752953 /nfs/dbraw/zinc/75/29/53/1077752953.db2.gz RATFGAVSSCUIBM-CEMLEFRQSA-N 1 0 411.550 2.540 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)CC3([NH+]4CCOCC4)CCCC3)C2=O)c(C)c1 ZINC000789717634 1077756141 /nfs/dbraw/zinc/75/61/41/1077756141.db2.gz AGRJZHARGXBTTB-FQEVSTJZSA-N 1 0 413.562 2.868 20 0 HFADRO CCCCn1ncc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1C(C)C ZINC000792236443 1077758134 /nfs/dbraw/zinc/75/81/34/1077758134.db2.gz MMBFJNNPNRMLBZ-SFHVURJKSA-N 1 0 419.570 2.505 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000746855147 1077769850 /nfs/dbraw/zinc/76/98/50/1077769850.db2.gz JNCOCMYRUAHZHX-UHFFFAOYSA-N 1 0 410.923 2.614 20 0 HFADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000792280597 1077773322 /nfs/dbraw/zinc/77/33/22/1077773322.db2.gz RFKYDBQGWNUVQL-HNNXBMFYSA-N 1 0 404.536 2.804 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cc4c[nH]nc4cc3C)cc2)CC1 ZINC000792282834 1077774277 /nfs/dbraw/zinc/77/42/77/1077774277.db2.gz WKWYXLLAGGLMPJ-UHFFFAOYSA-N 1 0 406.490 2.590 20 0 HFADRO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000789749661 1077781839 /nfs/dbraw/zinc/78/18/39/1077781839.db2.gz IFCYPNQDGOWPAW-UHFFFAOYSA-N 1 0 406.504 2.995 20 0 HFADRO CC(C)[C@H]([NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC001170118356 1077786954 /nfs/dbraw/zinc/78/69/54/1077786954.db2.gz QINKHYMHOSRBLJ-GJZGRUSLSA-N 1 0 416.362 2.781 20 0 HFADRO CN(Cc1nnc2ccccn21)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792275161 1077790352 /nfs/dbraw/zinc/79/03/52/1077790352.db2.gz DJXLRXOSBDHTQE-UHFFFAOYSA-N 1 0 410.444 2.676 20 0 HFADRO C[C@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1cccc(N2CCOC2=O)c1 ZINC000792277939 1077791707 /nfs/dbraw/zinc/79/17/07/1077791707.db2.gz XJCRLZUDORWYGN-KRWDZBQOSA-N 1 0 417.531 2.756 20 0 HFADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000792277885 1077791751 /nfs/dbraw/zinc/79/17/51/1077791751.db2.gz VGLVYZOZCOXLJE-MRXNPFEDSA-N 1 0 418.563 2.682 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCc4cc(C)ccc4C3)cc2)CC1 ZINC000792299396 1077795593 /nfs/dbraw/zinc/79/55/93/1077795593.db2.gz QWHQVGQJPFTZBU-UHFFFAOYSA-N 1 0 406.530 2.660 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000792305930 1077797660 /nfs/dbraw/zinc/79/76/60/1077797660.db2.gz MIKBNYITYTUNSF-BETUJISGSA-N 1 0 401.374 2.536 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)OCC(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000792309253 1077800640 /nfs/dbraw/zinc/80/06/40/1077800640.db2.gz XJDBBQIHVGSKSW-UHFFFAOYSA-N 1 0 403.500 2.972 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000746854719 1077801935 /nfs/dbraw/zinc/80/19/35/1077801935.db2.gz CFYPNUHUQMHFNT-GOSISDBHSA-N 1 0 405.539 2.890 20 0 HFADRO Cc1nc(NC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)sc1C ZINC000789771607 1077808036 /nfs/dbraw/zinc/80/80/36/1077808036.db2.gz VVQSSNPHKJDFNR-UHFFFAOYSA-N 1 0 401.536 2.868 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000792366049 1077817176 /nfs/dbraw/zinc/81/71/76/1077817176.db2.gz BPYBHGGDLHTNOV-IBGZPJMESA-N 1 0 408.502 2.530 20 0 HFADRO NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1Cl ZINC000792387850 1077830449 /nfs/dbraw/zinc/83/04/49/1077830449.db2.gz HJWYPLPHGIUQHU-UHFFFAOYSA-N 1 0 420.872 2.845 20 0 HFADRO CCOC(=O)C1=C(C[NH2+][C@]2(CC)CCOC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000792430207 1077851524 /nfs/dbraw/zinc/85/15/24/1077851524.db2.gz HLMWWVPOJIRXDG-YLJYHZDGSA-N 1 0 407.898 2.670 20 0 HFADRO C[C@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000792463366 1077859168 /nfs/dbraw/zinc/85/91/68/1077859168.db2.gz HYVDDUMTICIVFY-HNNXBMFYSA-N 1 0 422.570 2.649 20 0 HFADRO C[C@@H]1CN(c2ccnc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c2)C[C@H](C)O1 ZINC000789944260 1077862298 /nfs/dbraw/zinc/86/22/98/1077862298.db2.gz OVUZVERXNNDFIR-HDICACEKSA-N 1 0 409.534 2.699 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000792495686 1077867373 /nfs/dbraw/zinc/86/73/73/1077867373.db2.gz NSIJWJROKCEROY-SGQUHAKNSA-N 1 0 419.529 2.957 20 0 HFADRO CC[C@]1(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000772797383 1077873883 /nfs/dbraw/zinc/87/38/83/1077873883.db2.gz FKTVPJBTYIMSIG-XMSQKQJNSA-N 1 0 409.571 2.879 20 0 HFADRO COc1cc(Br)nc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c1 ZINC001170167246 1077876277 /nfs/dbraw/zinc/87/62/77/1077876277.db2.gz XBCNZXQXSLDMDQ-UHFFFAOYSA-N 1 0 406.284 2.721 20 0 HFADRO Cc1ccc(NC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000789984681 1077884295 /nfs/dbraw/zinc/88/42/95/1077884295.db2.gz WXWBYFYBPKFLJX-HNNXBMFYSA-N 1 0 420.510 2.544 20 0 HFADRO COC(=O)[C@H](CCc1ccccc1)Nc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001170175899 1077900805 /nfs/dbraw/zinc/90/08/05/1077900805.db2.gz VSRITSUZNFDBPL-NRFANRHFSA-N 1 0 416.543 2.799 20 0 HFADRO CC(C)[C@@H](NC(=O)COC(=O)c1ccc2c[nH+]cn2c1)c1ccc2c(c1)OCCO2 ZINC000792553793 1077901243 /nfs/dbraw/zinc/90/12/43/1077901243.db2.gz SWDWCYLBYKFFLK-OAQYLSRUSA-N 1 0 409.442 2.776 20 0 HFADRO Nc1cnc(N(CCCC[NH3+])S(=O)(=O)c2ccc3c(Cl)cccc3c2)nc1 ZINC001170179705 1077901729 /nfs/dbraw/zinc/90/17/29/1077901729.db2.gz BGPUPMNRDLFXKS-UHFFFAOYSA-N 1 0 405.911 2.800 20 0 HFADRO Nc1ccc(N(CCCC[NH3+])S(=O)(=O)c2ccc3c(Cl)cccc3c2)nn1 ZINC001170182242 1077903162 /nfs/dbraw/zinc/90/31/62/1077903162.db2.gz VZPDWQRUPGSZQO-UHFFFAOYSA-N 1 0 405.911 2.800 20 0 HFADRO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000772798700 1077905050 /nfs/dbraw/zinc/90/50/50/1077905050.db2.gz NGCLGRSLYHIMTO-QGZVFWFLSA-N 1 0 408.340 2.937 20 0 HFADRO CC(C)(C)OC(=O)NC(C)(C)c1noc(COC(=O)c2ccc3c[nH+]cn3c2)n1 ZINC000792566393 1077905867 /nfs/dbraw/zinc/90/58/67/1077905867.db2.gz UMXNQAURXFXMHK-UHFFFAOYSA-N 1 0 401.423 2.834 20 0 HFADRO CC[C@H]1C[C@H](N(CC(C)C)c2nc3c(cc2C(=O)N(C)C)CC[NH2+]CC3)CCO1 ZINC001170210215 1077908146 /nfs/dbraw/zinc/90/81/46/1077908146.db2.gz WMPCDXUXZJXUJW-MOPGFXCFSA-N 1 0 402.583 2.892 20 0 HFADRO CC1CC[NH+](C2CCC(NS(=O)(=O)C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000790042777 1077908745 /nfs/dbraw/zinc/90/87/45/1077908745.db2.gz UWHXMDPLKLFZSZ-UHFFFAOYSA-N 1 0 415.600 2.568 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2ccc(C)nc2Cl)CC1 ZINC000790043349 1077909451 /nfs/dbraw/zinc/90/94/51/1077909451.db2.gz JKKLKIDPUYHDQJ-UHFFFAOYSA-N 1 0 403.976 2.803 20 0 HFADRO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001170218862 1077910338 /nfs/dbraw/zinc/91/03/38/1077910338.db2.gz WCALJEIJCUNBEE-QZTJIDSGSA-N 1 0 416.591 2.830 20 0 HFADRO O=C(N1CCOCC(F)(F)C1)[C@@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC001157707921 1077913898 /nfs/dbraw/zinc/91/38/98/1077913898.db2.gz AMMCOGUVMZZSMA-INIZCTEOSA-N 1 0 403.267 2.608 20 0 HFADRO CC[C@H]1C[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227963 1077917737 /nfs/dbraw/zinc/91/77/37/1077917737.db2.gz RAUZTBHXOIVDEF-OALUTQOASA-N 1 0 403.548 2.889 20 0 HFADRO COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+][C@@H](C)Cc2ccccc2Cl)c1 ZINC001170255517 1077928845 /nfs/dbraw/zinc/92/88/45/1077928845.db2.gz RTVONQZRHFWEAO-LIRRHRJNSA-N 1 0 406.910 2.728 20 0 HFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000790050055 1077930492 /nfs/dbraw/zinc/93/04/92/1077930492.db2.gz XDPREGDYUVSXQT-NVXWUHKLSA-N 1 0 411.568 2.672 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(-c3ccc(N(C)C)cc3)nc3ccccc32)O1 ZINC001170277113 1077933744 /nfs/dbraw/zinc/93/37/44/1077933744.db2.gz HPFVFORGLQFRMR-PQNGQFLHSA-N 1 0 421.545 2.921 20 0 HFADRO Cc1nc(NC(=O)c2ccc(F)cc2)ccc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170281988 1077937278 /nfs/dbraw/zinc/93/72/78/1077937278.db2.gz IQMMIOIZXRCKLA-OPYAIIAOSA-N 1 0 402.470 2.918 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001170286351 1077938089 /nfs/dbraw/zinc/93/80/89/1077938089.db2.gz XQGODIBAUBBNPP-PXDUREFJSA-N 1 0 416.953 2.771 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)c1cnc2sccn2c1=O)c1cccc(C(F)(F)F)c1 ZINC001170320861 1077942649 /nfs/dbraw/zinc/94/26/49/1077942649.db2.gz PDMZOAJCRTYFCY-CQSZACIVSA-N 1 0 410.421 2.808 20 0 HFADRO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000772813185 1077955782 /nfs/dbraw/zinc/95/57/82/1077955782.db2.gz OGOKGSOSZVIHIY-JBACZVJFSA-N 1 0 402.922 2.763 20 0 HFADRO [NH3+][C@@H]1CCCN(c2cc(NCC(=O)NCc3ccco3)nc(Oc3ccccc3)n2)C1 ZINC001170380346 1077963575 /nfs/dbraw/zinc/96/35/75/1077963575.db2.gz QHPNIBANSXYDJW-MRXNPFEDSA-N 1 0 422.489 2.518 20 0 HFADRO COc1ccc2c(c1)C[C@H](Nc1ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc1)CC2 ZINC001170417814 1077964765 /nfs/dbraw/zinc/96/47/65/1077964765.db2.gz UFQJQJIYPMNPFG-HXUWFJFHSA-N 1 0 415.559 2.695 20 0 HFADRO CC(C)O[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC001170401235 1077965195 /nfs/dbraw/zinc/96/51/95/1077965195.db2.gz ZIXSYVZXBXADJZ-GJZGRUSLSA-N 1 0 404.479 2.803 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001170412231 1077966831 /nfs/dbraw/zinc/96/68/31/1077966831.db2.gz OMMVWINZHOCTGS-ZWKOTPCHSA-N 1 0 407.474 2.579 20 0 HFADRO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000792712753 1077972240 /nfs/dbraw/zinc/97/22/40/1077972240.db2.gz RDAFFVXUUPBOSJ-MRXNPFEDSA-N 1 0 409.577 2.701 20 0 HFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)C1 ZINC000790241285 1077974928 /nfs/dbraw/zinc/97/49/28/1077974928.db2.gz QVBFVRYWKLOPRX-IRLDBZIGSA-N 1 0 413.566 2.880 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cccc21 ZINC000790241218 1077974935 /nfs/dbraw/zinc/97/49/35/1077974935.db2.gz LLSBHCUWRCFYBE-SJORKVTESA-N 1 0 405.495 2.646 20 0 HFADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000790244698 1077975373 /nfs/dbraw/zinc/97/53/73/1077975373.db2.gz YPWKJAVULKNPCV-SFHVURJKSA-N 1 0 423.517 2.835 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCCC2CC[NH+](C)CC2)cn1 ZINC000790292973 1077987458 /nfs/dbraw/zinc/98/74/58/1077987458.db2.gz LWNQHGMUOYGYFX-JOCHJYFZSA-N 1 0 413.566 2.880 20 0 HFADRO CN(Cc1ccc(F)cc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000790292465 1077987562 /nfs/dbraw/zinc/98/75/62/1077987562.db2.gz KOFGLQGQPPBPHW-GJZGRUSLSA-N 1 0 400.292 2.593 20 0 HFADRO S=C(NCCc1ccc2c(c1)OCCO2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772821249 1077992592 /nfs/dbraw/zinc/99/25/92/1077992592.db2.gz WWYZQFXWUAQJSN-HKUYNNGSSA-N 1 0 401.576 2.824 20 0 HFADRO CC(C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001691696239 1077993407 /nfs/dbraw/zinc/99/34/07/1077993407.db2.gz RQQLNKQFSZEXFV-HXUWFJFHSA-N 1 0 418.561 2.612 20 0 HFADRO C[C@H]1C[N@H+](CCOc2ccc(CCNS(=O)(=O)C[C@H]3CCCOC3)cc2)C[C@H]1C ZINC000792770792 1077997903 /nfs/dbraw/zinc/99/79/03/1077997903.db2.gz UCESCJYJCZEBKT-ZVDOUQERSA-N 1 0 424.607 2.542 20 0 HFADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(F)(F)C1CCOCC1 ZINC000790360065 1078003810 /nfs/dbraw/zinc/00/38/10/1078003810.db2.gz YAAXVKIIBDIWDU-UHFFFAOYSA-N 1 0 409.521 2.763 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCC(C(F)(F)F)(C(F)(F)F)C1)C[NH+]1CCC2CC1 ZINC000790362323 1078004855 /nfs/dbraw/zinc/00/48/55/1078004855.db2.gz KFXQZICKIFEOOG-CYBMUJFWSA-N 1 0 401.351 2.677 20 0 HFADRO Cc1cc(Br)cc2c1CN(CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)CC2 ZINC000790377668 1078008330 /nfs/dbraw/zinc/00/83/30/1078008330.db2.gz XIYVWAKMPDFZKP-HXUWFJFHSA-N 1 0 420.351 2.990 20 0 HFADRO COc1ncc(C(=O)O[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000792862035 1078010672 /nfs/dbraw/zinc/01/06/72/1078010672.db2.gz PSUXQOYYVQKXSO-PBHICJAKSA-N 1 0 417.893 2.680 20 0 HFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)N(CCO)Cc1cccnc1Cl ZINC000792863885 1078010909 /nfs/dbraw/zinc/01/09/09/1078010909.db2.gz UASFOIKMUOGZFC-UHFFFAOYSA-N 1 0 412.987 2.601 20 0 HFADRO Cc1nc2ccccc2n1C[C@@H]1CCCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364619 1078014762 /nfs/dbraw/zinc/01/47/62/1078014762.db2.gz AQYMGBDZKNCSIS-CVDCTZTESA-N 1 0 409.534 2.683 20 0 HFADRO C[C@]1(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN(C(=O)OCc2ccccc2)C1 ZINC000792873572 1078015008 /nfs/dbraw/zinc/01/50/08/1078015008.db2.gz SZSCMLAVEZVXSD-JQVVWYNYSA-N 1 0 400.523 2.714 20 0 HFADRO COc1ccc([C@H]2CCCN2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c(OC)c1 ZINC000790367840 1078015548 /nfs/dbraw/zinc/01/55/48/1078015548.db2.gz LYHZATJEOJNNJF-KNQAVFIVSA-N 1 0 401.507 2.715 20 0 HFADRO O=C1O[C@]2(CN1CN(Cc1cccc(F)c1)C[C@H]1CCCO1)C[NH+]1CCC2CC1 ZINC000790367220 1078015732 /nfs/dbraw/zinc/01/57/32/1078015732.db2.gz HONGBRXHJSYXRG-IRLDBZIGSA-N 1 0 403.498 2.681 20 0 HFADRO O=C(NCC1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1)C(F)(F)F ZINC000792880396 1078016238 /nfs/dbraw/zinc/01/62/38/1078016238.db2.gz DNZAPZGQMYJQKF-IBGZPJMESA-N 1 0 413.484 2.668 20 0 HFADRO O=C1O[C@]2(CN1CN1CCO[C@H](c3ccc(OC(F)F)cc3)C1)C[NH+]1CCC2CC1 ZINC000790371342 1078016832 /nfs/dbraw/zinc/01/68/32/1078016832.db2.gz LHKASFRDIPWYCR-RXVVDRJESA-N 1 0 423.460 2.535 20 0 HFADRO O=C1O[C@]2(CN1CN1CCO[C@@H](c3ccc(OC(F)F)cc3)C1)C[NH+]1CCC2CC1 ZINC000790371341 1078016874 /nfs/dbraw/zinc/01/68/74/1078016874.db2.gz LHKASFRDIPWYCR-NQIIRXRSSA-N 1 0 423.460 2.535 20 0 HFADRO C[C@H](CNC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)[NH+]1CCCCC1 ZINC000792893289 1078018269 /nfs/dbraw/zinc/01/82/69/1078018269.db2.gz PTXMNGCMLHLGFQ-GOSISDBHSA-N 1 0 424.545 2.889 20 0 HFADRO C[C@@H](CNC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)[NH+]1CCCCC1 ZINC000792893290 1078018274 /nfs/dbraw/zinc/01/82/74/1078018274.db2.gz PTXMNGCMLHLGFQ-SFHVURJKSA-N 1 0 424.545 2.889 20 0 HFADRO O=C1O[C@]2(CN1CN1CCc3cc(Br)cc(F)c3C1)C[NH+]1CCC2CC1 ZINC000790376860 1078018508 /nfs/dbraw/zinc/01/85/08/1078018508.db2.gz WIYQBVLUZNKYFU-IBGZPJMESA-N 1 0 424.314 2.820 20 0 HFADRO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135117 1078021711 /nfs/dbraw/zinc/02/17/11/1078021711.db2.gz GLGGZWOAVLKXDT-ZDMKNRLGSA-N 1 0 404.580 2.598 20 0 HFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790430235 1078028602 /nfs/dbraw/zinc/02/86/02/1078028602.db2.gz UZBXKZHFFNYFTA-UXHICEINSA-N 1 0 420.529 2.541 20 0 HFADRO COC(=O)C1=C(C[NH+]2CCC3(CCOCC3)CC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000792934237 1078028751 /nfs/dbraw/zinc/02/87/51/1078028751.db2.gz QYFZTSVMMURTAK-FQEVSTJZSA-N 1 0 413.518 2.702 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CCN(C(=O)C2CCOCC2)CC1 ZINC001170423341 1078030797 /nfs/dbraw/zinc/03/07/97/1078030797.db2.gz DFLZAJLOPWQGIU-FQEVSTJZSA-N 1 0 402.535 2.991 20 0 HFADRO COCC1(C(=O)N2CC[NH+](C3CCCC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000792977377 1078030885 /nfs/dbraw/zinc/03/08/85/1078030885.db2.gz ZJZBOTVYZUPEPM-UHFFFAOYSA-N 1 0 409.571 2.737 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)nc1Br ZINC000792947011 1078032227 /nfs/dbraw/zinc/03/22/27/1078032227.db2.gz LJSYEQYAAACIMT-UHFFFAOYSA-N 1 0 411.344 2.862 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)c2ccc1Br ZINC000790443408 1078033668 /nfs/dbraw/zinc/03/36/68/1078033668.db2.gz VKEGVVQOZMYBKT-CHWSQXEVSA-N 1 0 408.296 2.901 20 0 HFADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCCCCC1 ZINC000792953045 1078034168 /nfs/dbraw/zinc/03/41/68/1078034168.db2.gz ZOQSZUAMCHRAHC-AWEZNQCLSA-N 1 0 411.344 2.799 20 0 HFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)n1 ZINC000792953841 1078034732 /nfs/dbraw/zinc/03/47/32/1078034732.db2.gz URAWHXLSHDJPQO-UHFFFAOYSA-N 1 0 404.898 2.711 20 0 HFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792958223 1078035500 /nfs/dbraw/zinc/03/55/00/1078035500.db2.gz ZEKHLLIICDNSPT-UHFFFAOYSA-N 1 0 413.360 2.917 20 0 HFADRO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(OC(F)F)c(F)c3)cc2)CC1 ZINC000790475459 1078039850 /nfs/dbraw/zinc/03/98/50/1078039850.db2.gz SDPOYERHPJINJA-UHFFFAOYSA-N 1 0 415.437 2.980 20 0 HFADRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nnnn1C1CC1 ZINC000790479672 1078040872 /nfs/dbraw/zinc/04/08/72/1078040872.db2.gz QGPYMFRDULLONS-MFHCWRBVSA-N 1 0 409.538 2.669 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988083 1078041843 /nfs/dbraw/zinc/04/18/43/1078041843.db2.gz WPEOYJXNSSWJGH-KKSFZXQISA-N 1 0 413.559 2.738 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000790484623 1078041940 /nfs/dbraw/zinc/04/19/40/1078041940.db2.gz SGZTUAWHXUCCAJ-SFHVURJKSA-N 1 0 402.539 2.630 20 0 HFADRO O=C1c2ccc(Br)cc2N(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772825613 1078042463 /nfs/dbraw/zinc/04/24/63/1078042463.db2.gz CMZTYYFUBRBWBT-DYVFJYSZSA-N 1 0 418.335 2.885 20 0 HFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000806239079 1079514927 /nfs/dbraw/zinc/51/49/27/1079514927.db2.gz MXHIAQNNRYBHSY-FCHUYYIVSA-N 1 0 423.561 2.551 20 0 HFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000806254226 1079521954 /nfs/dbraw/zinc/52/19/54/1079521954.db2.gz RENBSQAUMFBGRT-LEWJYISDSA-N 1 0 421.557 2.724 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)CCC2 ZINC000806298675 1079549642 /nfs/dbraw/zinc/54/96/42/1079549642.db2.gz MTFGEYNANIJFDH-HXUWFJFHSA-N 1 0 411.550 2.678 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)CCC2 ZINC000806298522 1079550149 /nfs/dbraw/zinc/55/01/49/1079550149.db2.gz JPQJDSZKTWOFOY-SFHVURJKSA-N 1 0 417.579 2.610 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)CCC2 ZINC000806300286 1079550750 /nfs/dbraw/zinc/55/07/50/1079550750.db2.gz KIPBXZDSIMQFSC-SFHVURJKSA-N 1 0 403.571 2.538 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc3ccccc3)C1)CCC2 ZINC000806299382 1079551852 /nfs/dbraw/zinc/55/18/52/1079551852.db2.gz XZDASHJSVGLVKL-NHCUHLMSSA-N 1 0 423.561 2.691 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806309388 1079564197 /nfs/dbraw/zinc/56/41/97/1079564197.db2.gz DVPGKUXDEIXEQH-UXHICEINSA-N 1 0 402.539 2.960 20 0 HFADRO CC[N@H+](CCCNC(=O)c1cc(I)nn1C)C1CCCCC1 ZINC001130588953 1079569012 /nfs/dbraw/zinc/56/90/12/1079569012.db2.gz NSIZECFXDANMRS-UHFFFAOYSA-N 1 0 418.323 2.799 20 0 HFADRO CC[N@H+](CCCNC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)C1CCCCC1 ZINC001130588993 1079569154 /nfs/dbraw/zinc/56/91/54/1079569154.db2.gz POMXVYHSXWEHNI-UHFFFAOYSA-N 1 0 413.559 2.851 20 0 HFADRO C[C@@H]1[C@@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000806293267 1079579623 /nfs/dbraw/zinc/57/96/23/1079579623.db2.gz ZKUKEUACFBWZJP-KUHUBIRLSA-N 1 0 402.445 2.866 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000806294183 1079581275 /nfs/dbraw/zinc/58/12/75/1079581275.db2.gz BWQCSPSBZUFDPK-KDOFPFPSSA-N 1 0 417.428 2.944 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000806297476 1079587147 /nfs/dbraw/zinc/58/71/47/1079587147.db2.gz OCPTXHOARVWBCD-WOJBJXKFSA-N 1 0 415.582 2.871 20 0 HFADRO CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596560 1079615082 /nfs/dbraw/zinc/61/50/82/1079615082.db2.gz JKDVBKJBJNZLGC-BFUACXKISA-N 1 0 400.567 2.723 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000806376000 1079626014 /nfs/dbraw/zinc/62/60/14/1079626014.db2.gz WFJJTMJGMPXWFW-LJQANCHMSA-N 1 0 420.554 2.779 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cnn(C)c1 ZINC000806358195 1079645658 /nfs/dbraw/zinc/64/56/58/1079645658.db2.gz TZWKCNBPWKWUQD-INIZCTEOSA-N 1 0 407.559 2.754 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806423768 1079668374 /nfs/dbraw/zinc/66/83/74/1079668374.db2.gz DHXWUXXXTLWRCJ-XZOQPEGZSA-N 1 0 423.557 2.658 20 0 HFADRO O=C(NCc1ccon1)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000806395124 1079683731 /nfs/dbraw/zinc/68/37/31/1079683731.db2.gz IUCNHGOIGUDASE-UHFFFAOYSA-N 1 0 418.497 2.870 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000806404921 1079692756 /nfs/dbraw/zinc/69/27/56/1079692756.db2.gz LFGAJQSLBPBPOV-UXHICEINSA-N 1 0 424.586 2.578 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000806412217 1079699399 /nfs/dbraw/zinc/69/93/99/1079699399.db2.gz NMDXOOWWHCWJBA-LJQANCHMSA-N 1 0 420.554 2.997 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000806459099 1079731838 /nfs/dbraw/zinc/73/18/38/1079731838.db2.gz SNGMNUBARICWHW-IBGZPJMESA-N 1 0 406.502 2.710 20 0 HFADRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC000806465003 1079736334 /nfs/dbraw/zinc/73/63/34/1079736334.db2.gz PDRMKZFJEKOIBJ-UHFFFAOYSA-N 1 0 400.910 2.996 20 0 HFADRO COc1cc(CCNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000806466364 1079736889 /nfs/dbraw/zinc/73/68/89/1079736889.db2.gz XTHKQHUVTYZAGM-VWLOTQADSA-N 1 0 423.557 2.691 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000806505490 1079754802 /nfs/dbraw/zinc/75/48/02/1079754802.db2.gz PDYYOMPBJYLFHU-UHFFFAOYSA-N 1 0 400.479 2.900 20 0 HFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OC(F)(F)F)c1 ZINC000806504882 1079755206 /nfs/dbraw/zinc/75/52/06/1079755206.db2.gz FOLXXOXCSVLQQR-CFVMTHIKSA-N 1 0 401.429 2.751 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)ccnc1-2 ZINC000806481140 1079766900 /nfs/dbraw/zinc/76/69/00/1079766900.db2.gz JTLZQKUQRVPJJF-UHFFFAOYSA-N 1 0 400.486 2.845 20 0 HFADRO C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1ccc[nH]1 ZINC000806527261 1079801257 /nfs/dbraw/zinc/80/12/57/1079801257.db2.gz XLCBPKAKMNKVKN-AWEZNQCLSA-N 1 0 421.339 2.545 20 0 HFADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc[nH]1 ZINC000806528054 1079801997 /nfs/dbraw/zinc/80/19/97/1079801997.db2.gz VDWKKRIDECVFLK-XAYKYTGQSA-N 1 0 406.889 2.794 20 0 HFADRO C[NH+](C)CCOc1cc(C(=O)N(C2CCC2)C2CN(C(=O)OC(C)(C)C)C2)ccn1 ZINC001130686642 1079841077 /nfs/dbraw/zinc/84/10/77/1079841077.db2.gz MZPRIVOWGHXBBC-UHFFFAOYSA-N 1 0 418.538 2.636 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806619689 1079854588 /nfs/dbraw/zinc/85/45/88/1079854588.db2.gz JRAQWGJIIBQDKI-WOJBJXKFSA-N 1 0 402.539 2.819 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000747342024 1079874507 /nfs/dbraw/zinc/87/45/07/1079874507.db2.gz JRPXQWVMRIAYGZ-NHCUHLMSSA-N 1 0 421.541 2.671 20 0 HFADRO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000806659615 1079876815 /nfs/dbraw/zinc/87/68/15/1079876815.db2.gz AWNWXFAYIJYGNX-PTLVVNQVSA-N 1 0 411.546 2.876 20 0 HFADRO O=C(COc1ccc2ccccc2c1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747342737 1079924471 /nfs/dbraw/zinc/92/44/71/1079924471.db2.gz NWLQRKRGVRLFMC-HOTGVXAUSA-N 1 0 419.319 2.961 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000806724616 1079948080 /nfs/dbraw/zinc/94/80/80/1079948080.db2.gz YTJPFKZFDVLQQR-FOIQADDNSA-N 1 0 410.518 2.877 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130733394 1079971994 /nfs/dbraw/zinc/97/19/94/1079971994.db2.gz PNGHUGZYGNOKDJ-RTBURBONSA-N 1 0 401.457 2.984 20 0 HFADRO C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001130742251 1080005958 /nfs/dbraw/zinc/00/59/58/1080005958.db2.gz PCUNWGUPKDQNHH-KNQAVFIVSA-N 1 0 419.566 2.616 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C3CN(CC(F)(F)F)C3)cc2F)CC1 ZINC000806784023 1080008431 /nfs/dbraw/zinc/00/84/31/1080008431.db2.gz JPVQCNAPSUYSBX-UHFFFAOYSA-N 1 0 402.436 2.789 20 0 HFADRO CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806789365 1080010539 /nfs/dbraw/zinc/01/05/39/1080010539.db2.gz KLYZJYMTCHDGHY-QFIPXVFZSA-N 1 0 423.561 2.744 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000806790199 1080011463 /nfs/dbraw/zinc/01/14/63/1080011463.db2.gz SMRKARQKVGMSHJ-ICSRJNTNSA-N 1 0 403.954 2.837 20 0 HFADRO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806791120 1080012191 /nfs/dbraw/zinc/01/21/91/1080012191.db2.gz ZAPVSZDCHDPSJC-LBXVMSDZSA-N 1 0 415.534 2.548 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000806814264 1080027392 /nfs/dbraw/zinc/02/73/92/1080027392.db2.gz NBYRFDGCQASXKP-IBGZPJMESA-N 1 0 422.520 2.830 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)c1 ZINC000747357542 1080047533 /nfs/dbraw/zinc/04/75/33/1080047533.db2.gz GBORBIYGKIPXNW-UHFFFAOYSA-N 1 0 413.522 2.938 20 0 HFADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F)[NH+]1CCCCC1 ZINC000806856709 1080060519 /nfs/dbraw/zinc/06/05/19/1080060519.db2.gz JNCRTYMXBRHSBR-KBPBESRZSA-N 1 0 401.429 2.945 20 0 HFADRO C[C@]1(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806861737 1080063872 /nfs/dbraw/zinc/06/38/72/1080063872.db2.gz ROHXACZCEPOCJR-IIBYNOLFSA-N 1 0 405.926 2.983 20 0 HFADRO Cc1cc(NC(=O)c2ccc(C(N)=O)c(Cl)n2)ccc1OCC[NH+]1CCCC1 ZINC000806886389 1080083355 /nfs/dbraw/zinc/08/33/55/1080083355.db2.gz MBOFMNZOBXYKKG-UHFFFAOYSA-N 1 0 402.882 2.869 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000806888654 1080084965 /nfs/dbraw/zinc/08/49/65/1080084965.db2.gz KLFZOOGHEJKRTF-RDBSUJKOSA-N 1 0 407.902 2.548 20 0 HFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000806918667 1080087881 /nfs/dbraw/zinc/08/78/81/1080087881.db2.gz GDLUHGKVXHRBEC-VIFPVBQESA-N 1 0 406.683 2.781 20 0 HFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000806919660 1080088275 /nfs/dbraw/zinc/08/82/75/1080088275.db2.gz RVAWJWGTSKTBCU-GFCCVEGCSA-N 1 0 405.296 2.536 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000806928772 1080095921 /nfs/dbraw/zinc/09/59/21/1080095921.db2.gz NWTONLBCRAYGOM-UHFFFAOYSA-N 1 0 418.538 2.578 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000806953911 1080164650 /nfs/dbraw/zinc/16/46/50/1080164650.db2.gz AJRKDXWXVQYFNV-BBWFWOEESA-N 1 0 400.539 2.850 20 0 HFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)cc2)C1 ZINC000806978905 1080187404 /nfs/dbraw/zinc/18/74/04/1080187404.db2.gz JAVCFNCAJSANQN-PBHICJAKSA-N 1 0 413.440 2.899 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)Nc3cc4n(n3)CCCC4)cc2)CC1 ZINC000807015918 1080212131 /nfs/dbraw/zinc/21/21/31/1080212131.db2.gz ISIBBSQSVKRMKS-UHFFFAOYSA-N 1 0 424.549 2.575 20 0 HFADRO CSCC[C@@H](C)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000807055027 1080237347 /nfs/dbraw/zinc/23/73/47/1080237347.db2.gz KEYHTPPHNPZRDE-GCJKJVERSA-N 1 0 403.592 2.759 20 0 HFADRO NC(=O)c1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1Cl ZINC000807086012 1080262151 /nfs/dbraw/zinc/26/21/51/1080262151.db2.gz PAQJZLNRWDSWNL-VQIMIIECSA-N 1 0 412.921 2.961 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807087214 1080265405 /nfs/dbraw/zinc/26/54/05/1080265405.db2.gz LLILUKNZAVHHBJ-OAQYLSRUSA-N 1 0 401.551 2.605 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089569 1080267737 /nfs/dbraw/zinc/26/77/37/1080267737.db2.gz HSYVEITZNQVFFE-UGKGYDQZSA-N 1 0 415.578 2.755 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000807092452 1080272430 /nfs/dbraw/zinc/27/24/30/1080272430.db2.gz VPZJSQTZUIDAML-FCHUYYIVSA-N 1 0 413.562 2.747 20 0 HFADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)no1 ZINC001130843675 1080277732 /nfs/dbraw/zinc/27/77/32/1080277732.db2.gz MOFGMVPXGYBURM-NVXWUHKLSA-N 1 0 416.547 2.953 20 0 HFADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 ZINC001130844455 1080280847 /nfs/dbraw/zinc/28/08/47/1080280847.db2.gz ZBOHXGJVIMQUQN-KRWDZBQOSA-N 1 0 406.461 2.895 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000807124138 1080296563 /nfs/dbraw/zinc/29/65/63/1080296563.db2.gz VGOXVBNMCGJNTE-UHFFFAOYSA-N 1 0 400.523 2.968 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000807136231 1080297776 /nfs/dbraw/zinc/29/77/76/1080297776.db2.gz XXPDISTXVKDBAT-UHFFFAOYSA-N 1 0 424.589 2.873 20 0 HFADRO CCOC(=O)N1CCC([C@H](C)NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000807150494 1080308904 /nfs/dbraw/zinc/30/89/04/1080308904.db2.gz SKYFRFOGNSZVEO-KRWDZBQOSA-N 1 0 402.539 2.769 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000807151677 1080310355 /nfs/dbraw/zinc/31/03/55/1080310355.db2.gz GDOFZGZLTGLBER-UGKGYDQZSA-N 1 0 402.539 2.961 20 0 HFADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000807170862 1080325090 /nfs/dbraw/zinc/32/50/90/1080325090.db2.gz MKGCWVDTLJPSEO-SFHVURJKSA-N 1 0 422.614 2.506 20 0 HFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000807188603 1080337676 /nfs/dbraw/zinc/33/76/76/1080337676.db2.gz MEPUXYFRBMZJFA-QGZVFWFLSA-N 1 0 412.456 2.700 20 0 HFADRO CC(=O)NCC[C@H]1CCCN(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807202926 1080349589 /nfs/dbraw/zinc/34/95/89/1080349589.db2.gz IDPGNQLGGIELPO-GGAORHGYSA-N 1 0 400.567 2.846 20 0 HFADRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CC[N@@H+]2C2CC2)c1 ZINC000807205100 1080351626 /nfs/dbraw/zinc/35/16/26/1080351626.db2.gz AEYRYHVXQRWHSD-AEFFLSMTSA-N 1 0 414.893 2.550 20 0 HFADRO COc1ccccc1CONC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000807204606 1080352950 /nfs/dbraw/zinc/35/29/50/1080352950.db2.gz OMXGCEREGYNYFP-UHFFFAOYSA-N 1 0 412.534 2.586 20 0 HFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000807187286 1080381103 /nfs/dbraw/zinc/38/11/03/1080381103.db2.gz AKJPSKXYTXUZQT-UHFFFAOYSA-N 1 0 401.898 2.608 20 0 HFADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000747377518 1080401925 /nfs/dbraw/zinc/40/19/25/1080401925.db2.gz YQVVXWLSYIQXLB-MHTWAQMVSA-N 1 0 417.550 2.648 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000807246297 1080403544 /nfs/dbraw/zinc/40/35/44/1080403544.db2.gz KLBBIGUBJOQNBJ-WOJBJXKFSA-N 1 0 403.567 2.664 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000807247533 1080404567 /nfs/dbraw/zinc/40/45/67/1080404567.db2.gz XRZGHBBSLPFNIV-RTWAWAEBSA-N 1 0 417.594 2.577 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC(C4(C)OCCO4)CC3)cc2)CC1 ZINC000807255516 1080406799 /nfs/dbraw/zinc/40/67/99/1080406799.db2.gz MXRXFZBPGNOTMK-UHFFFAOYSA-N 1 0 417.550 2.844 20 0 HFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)COc1cccc(I)c1 ZINC001130895084 1080430186 /nfs/dbraw/zinc/43/01/86/1080430186.db2.gz DQRAOFOGPIBDBS-ZDUSSCGKSA-N 1 0 402.276 2.659 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC=C(c4ccco4)C3)cc2)CC1 ZINC000807298322 1080493857 /nfs/dbraw/zinc/49/38/57/1080493857.db2.gz BRBKYMHSPOBREP-UHFFFAOYSA-N 1 0 408.502 2.676 20 0 HFADRO CCOC(=O)c1cnc(N=C2CC[N@@H+](Cc3ccccc3)CC2C(=O)OCC)nc1 ZINC001170522013 1080494960 /nfs/dbraw/zinc/49/49/60/1080494960.db2.gz UDNUBARVTSJBFO-UHFFFAOYSA-N 1 0 410.474 2.788 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000807304586 1080498190 /nfs/dbraw/zinc/49/81/90/1080498190.db2.gz LFJBJNXTMBEWHF-OAQYLSRUSA-N 1 0 424.549 2.632 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccco1 ZINC000807310180 1080502626 /nfs/dbraw/zinc/50/26/26/1080502626.db2.gz BHFYXSJQJYCWHT-DYVFJYSZSA-N 1 0 411.462 2.822 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)OC)cc1)c1ccco1 ZINC000807310670 1080504431 /nfs/dbraw/zinc/50/44/31/1080504431.db2.gz PHFBUHXRLIQDRR-BBRMVZONSA-N 1 0 402.451 2.642 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccnc1Br)c1ccco1 ZINC000807310516 1080504929 /nfs/dbraw/zinc/50/49/29/1080504929.db2.gz LHBFLQBCFULSMD-WCQYABFASA-N 1 0 409.284 2.621 20 0 HFADRO CCN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@@H](C)C1 ZINC000807318793 1080512459 /nfs/dbraw/zinc/51/24/59/1080512459.db2.gz JUBBBTBFIQGKCA-KRWDZBQOSA-N 1 0 414.550 2.582 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807354070 1080515112 /nfs/dbraw/zinc/51/51/12/1080515112.db2.gz DXKBXGXWERKEJJ-DOTOQJQBSA-N 1 0 420.504 2.979 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000807353828 1080515173 /nfs/dbraw/zinc/51/51/73/1080515173.db2.gz UGCBWNFPRIHJBV-JOCHJYFZSA-N 1 0 409.530 2.967 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807354071 1080515218 /nfs/dbraw/zinc/51/52/18/1080515218.db2.gz DXKBXGXWERKEJJ-NVXWUHKLSA-N 1 0 420.504 2.979 20 0 HFADRO CON(CC(C)(C)C)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000807360218 1080521342 /nfs/dbraw/zinc/52/13/42/1080521342.db2.gz WWRCDSRDFFVHPU-UHFFFAOYSA-N 1 0 408.518 2.731 20 0 HFADRO CN(C)c1ccc(C2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000807364049 1080525241 /nfs/dbraw/zinc/52/52/41/1080525241.db2.gz YZFMVIPNUBJEKY-XDNSSPFJSA-N 1 0 412.578 2.590 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1ccc(C(=O)N(C)C)nc1 ZINC001170522295 1080536790 /nfs/dbraw/zinc/53/67/90/1080536790.db2.gz HBZUJACLPKQNMX-UHFFFAOYSA-N 1 0 408.502 2.918 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000807394543 1080561396 /nfs/dbraw/zinc/56/13/96/1080561396.db2.gz RSOWCJYLIPSHHL-NSHDSACASA-N 1 0 417.735 2.735 20 0 HFADRO O=C(N[C@@H](CCCO)c1ccccc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807431662 1080591431 /nfs/dbraw/zinc/59/14/31/1080591431.db2.gz HWOCXESMTAJOKG-CBNMVNINSA-N 1 0 401.551 2.530 20 0 HFADRO C[S@@](=O)c1c[nH]c2ncnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c12 ZINC001170523646 1080593017 /nfs/dbraw/zinc/59/30/17/1080593017.db2.gz AFLYTIHMZKSKKI-SSEXGKCCSA-N 1 0 422.558 2.605 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000807400831 1080596745 /nfs/dbraw/zinc/59/67/45/1080596745.db2.gz FOAHBJIIJADXMV-YEWWUXTCSA-N 1 0 401.429 2.815 20 0 HFADRO O=C(NCC(F)(F)Br)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000807447490 1080628177 /nfs/dbraw/zinc/62/81/77/1080628177.db2.gz STQUFNQGMPENKP-UHFFFAOYSA-N 1 0 418.282 2.757 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807453538 1080634742 /nfs/dbraw/zinc/63/47/42/1080634742.db2.gz OJXFTNXNWKJLFE-DNVCBOLYSA-N 1 0 420.504 2.979 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807454966 1080634761 /nfs/dbraw/zinc/63/47/61/1080634761.db2.gz ZQCKSEVLTDKDAM-RHSMWYFYSA-N 1 0 401.898 2.549 20 0 HFADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)no1 ZINC000807485547 1080668028 /nfs/dbraw/zinc/66/80/28/1080668028.db2.gz ICVUBWCAVPXNNC-GOSISDBHSA-N 1 0 411.437 2.542 20 0 HFADRO CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000807486089 1080668746 /nfs/dbraw/zinc/66/87/46/1080668746.db2.gz BVTAFAITDVMCPQ-IBGZPJMESA-N 1 0 415.465 2.750 20 0 HFADRO Cc1cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cnc1Br ZINC000807486835 1080672136 /nfs/dbraw/zinc/67/21/36/1080672136.db2.gz XNXPAGRVCIJHAB-OAHLLOKOSA-N 1 0 423.286 2.649 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000807492624 1080684439 /nfs/dbraw/zinc/68/44/39/1080684439.db2.gz SOESIVYTHNXZNN-UHFFFAOYSA-N 1 0 417.554 2.565 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807497459 1080691495 /nfs/dbraw/zinc/69/14/95/1080691495.db2.gz AXAXHDOUKGJLHQ-CJFMBICVSA-N 1 0 423.557 2.523 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807503251 1080701244 /nfs/dbraw/zinc/70/12/44/1080701244.db2.gz ATKINOUBKZWZMB-XMMPIXPASA-N 1 0 411.546 2.511 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)C(F)(F)F)cc2Cl)CC1 ZINC000807541670 1080757562 /nfs/dbraw/zinc/75/75/62/1080757562.db2.gz SAOHCLZNCCEHRQ-GFCCVEGCSA-N 1 0 420.863 2.878 20 0 HFADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000807543082 1080758673 /nfs/dbraw/zinc/75/86/73/1080758673.db2.gz IQNWHOLAQNIUCW-UTKZUKDTSA-N 1 0 423.513 2.510 20 0 HFADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)no1 ZINC000807542887 1080758786 /nfs/dbraw/zinc/75/87/86/1080758786.db2.gz GJTFUEMRPZABPH-BEFAXECRSA-N 1 0 419.485 2.763 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550374 1080765865 /nfs/dbraw/zinc/76/58/65/1080765865.db2.gz GERKRETXUWUUMJ-OAQYLSRUSA-N 1 0 412.575 2.528 20 0 HFADRO COC[C@@]1(CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807551642 1080767997 /nfs/dbraw/zinc/76/79/97/1080767997.db2.gz XSVPDTRRFKJOIW-UTKZUKDTSA-N 1 0 412.575 2.575 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1CCN(C(=O)OC)CC1 ZINC000807526137 1080777967 /nfs/dbraw/zinc/77/79/67/1080777967.db2.gz SFPUDAGUBNRHIW-FQEVSTJZSA-N 1 0 417.554 2.556 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCc2ccc3c(n2)CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000807573263 1080785135 /nfs/dbraw/zinc/78/51/35/1080785135.db2.gz ISPLEGJQUOWKOC-VWLOTQADSA-N 1 0 420.557 2.605 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000807555874 1080806917 /nfs/dbraw/zinc/80/69/17/1080806917.db2.gz IGPJJCBNSWKFGZ-DLBZAZTESA-N 1 0 406.958 2.773 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000807556112 1080807033 /nfs/dbraw/zinc/80/70/33/1080807033.db2.gz LRACLZJVULRYLS-INIZCTEOSA-N 1 0 409.317 2.732 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000807557444 1080807811 /nfs/dbraw/zinc/80/78/11/1080807811.db2.gz BHFREHBRDDKTLG-KDOFPFPSSA-N 1 0 420.966 2.920 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000807559824 1080815088 /nfs/dbraw/zinc/81/50/88/1080815088.db2.gz WJHCXXLWZCSSCV-KRWDZBQOSA-N 1 0 406.958 2.774 20 0 HFADRO CNC(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001171949768 1126148848 /nfs/dbraw/zinc/14/88/48/1126148848.db2.gz ZDQUQNFPBGQWFR-FQEVSTJZSA-N 1 0 403.320 2.818 20 0 HFADRO Cn1c(=O)oc2cc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)ccc21 ZINC001179148449 1126151515 /nfs/dbraw/zinc/15/15/15/1126151515.db2.gz OFWGVKXONCDYKW-HXUWFJFHSA-N 1 0 417.303 2.904 20 0 HFADRO Cn1cc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)c(I)n1 ZINC001179396458 1126152280 /nfs/dbraw/zinc/15/22/80/1126152280.db2.gz GMSRCWXTWDDWTR-HNNXBMFYSA-N 1 0 419.694 2.761 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1OC ZINC001203581376 1126159082 /nfs/dbraw/zinc/15/90/82/1126159082.db2.gz LXIDIIQOLOMOOW-REWPJTCUSA-N 1 0 401.503 2.955 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC001460696800 1126191975 /nfs/dbraw/zinc/19/19/75/1126191975.db2.gz QGZJADJWIIMUQY-ZWKOTPCHSA-N 1 0 416.465 2.561 20 0 HFADRO CS(=O)(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001473641727 1126198336 /nfs/dbraw/zinc/19/83/36/1126198336.db2.gz UUZGIPTURLUFJH-LJQANCHMSA-N 1 0 424.360 2.862 20 0 HFADRO Cn1nc2c(c1C[NH2+][C@@]1(CO)CCc3cc(Br)ccc3C1)CSCC2 ZINC001474208440 1126202499 /nfs/dbraw/zinc/20/24/99/1126202499.db2.gz FWCYPCHLENRZMC-IBGZPJMESA-N 1 0 422.392 2.982 20 0 HFADRO COc1c(Br)cc(C[NH2+]CCN2CCOCC2)cc1Br ZINC000020967609 568460812 /nfs/dbraw/zinc/46/08/12/568460812.db2.gz LRXXOTYHFVEHQT-UHFFFAOYSA-N 1 0 408.134 2.642 20 0 HFADRO CCn1nc(C)c(C[NH+]2CCC(OC)(c3nc(C4CCOCC4)no3)CC2)c1C ZINC000576534846 569066569 /nfs/dbraw/zinc/06/65/69/569066569.db2.gz JIZVPNWJEUBPHE-UHFFFAOYSA-N 1 0 403.527 2.935 20 0 HFADRO [NH3+]C1CC2(C1)CCN([C@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)CC2 ZINC001164388114 718802163 /nfs/dbraw/zinc/80/21/63/718802163.db2.gz SZUAJENNPRXKSD-HXUWFJFHSA-N 1 0 422.936 2.700 20 0 HFADRO O=C1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC2(CC[NH2+]CC2)N1 ZINC001164389190 718809337 /nfs/dbraw/zinc/80/93/37/718809337.db2.gz GSKUFMMEZFQHDB-UHFFFAOYSA-N 1 0 416.259 2.540 20 0 HFADRO O=C1CN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)CC2(CC[NH2+]CC2)N1 ZINC001164390722 718809903 /nfs/dbraw/zinc/80/99/03/718809903.db2.gz DFCZQSLXMHNBPQ-UHFFFAOYSA-N 1 0 422.863 2.885 20 0 HFADRO C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164389890 718824389 /nfs/dbraw/zinc/82/43/89/718824389.db2.gz KLDHHYWVXKKRIB-DLBZAZTESA-N 1 0 413.591 2.733 20 0 HFADRO COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164390078 718826109 /nfs/dbraw/zinc/82/61/09/718826109.db2.gz LUBSQZKJQFKPPG-NVXWUHKLSA-N 1 0 410.852 2.918 20 0 HFADRO CSc1ccc(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1Cl ZINC001164416460 718885295 /nfs/dbraw/zinc/88/52/95/718885295.db2.gz WXWHUVLZYIXZSN-UHFFFAOYSA-N 1 0 400.886 2.692 20 0 HFADRO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164422801 718913709 /nfs/dbraw/zinc/91/37/09/718913709.db2.gz BCNXRLOVHXVASH-IBGZPJMESA-N 1 0 424.879 2.927 20 0 HFADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425358 718918572 /nfs/dbraw/zinc/91/85/72/718918572.db2.gz SBXZAXFERDYBMI-LJQANCHMSA-N 1 0 424.879 2.927 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164432042 718967785 /nfs/dbraw/zinc/96/77/85/718967785.db2.gz FCJNZZANXJCNNC-UONOGXRCSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164433662 718971702 /nfs/dbraw/zinc/97/17/02/718971702.db2.gz LZWZXPSFBOYXCN-SJORKVTESA-N 1 0 405.848 2.987 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnnc(Cl)c3)CC2)CC1 ZINC001164617574 719026639 /nfs/dbraw/zinc/02/66/39/719026639.db2.gz OYMZLGSOBMPTFK-UHFFFAOYSA-N 1 0 402.873 2.919 20 0 HFADRO CCOC(=O)c1c(C)ccnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164617505 719030252 /nfs/dbraw/zinc/03/02/52/719030252.db2.gz MZBCYTHTPRLIAO-UHFFFAOYSA-N 1 0 403.523 2.811 20 0 HFADRO COC(=O)c1nc2cnccc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629784 719083846 /nfs/dbraw/zinc/08/38/46/719083846.db2.gz ZATPHLDRJJGNBM-YLJYHZDGSA-N 1 0 403.486 2.912 20 0 HFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164643607 719217570 /nfs/dbraw/zinc/21/75/70/719217570.db2.gz ZPIKZRRSUGIPLL-PMACEKPBSA-N 1 0 407.562 2.568 20 0 HFADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)c1 ZINC001164649999 719294115 /nfs/dbraw/zinc/29/41/15/719294115.db2.gz XPBSZRBDEIAMSS-DPLHUUCSSA-N 1 0 424.545 2.904 20 0 HFADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC001164671336 719378408 /nfs/dbraw/zinc/37/84/08/719378408.db2.gz WXMMVZQYHSTSMQ-DENIHFKCSA-N 1 0 406.486 2.737 20 0 HFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)C[C@@H]21 ZINC001164671577 719411762 /nfs/dbraw/zinc/41/17/62/719411762.db2.gz QEQHRFBMCZIKMS-HOTGVXAUSA-N 1 0 424.021 2.916 20 0 HFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC000301642837 719463931 /nfs/dbraw/zinc/46/39/31/719463931.db2.gz HAGVHHMUVSWLMK-CVEARBPZSA-N 1 0 408.531 2.546 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000301667338 719466980 /nfs/dbraw/zinc/46/69/80/719466980.db2.gz OXUHVJUVNVLSKE-ROUUACIJSA-N 1 0 409.559 2.939 20 0 HFADRO COc1cccc2c1nc(Cl)nc2-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684660 719621367 /nfs/dbraw/zinc/62/13/67/719621367.db2.gz VZKHPZNKUOIGSF-UHFFFAOYSA-N 1 0 400.914 2.963 20 0 HFADRO COC(=O)c1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c2ccccc2c1OC ZINC001164679530 719644606 /nfs/dbraw/zinc/64/46/06/719644606.db2.gz FLKUIYPZVQHWRT-UHFFFAOYSA-N 1 0 423.517 2.702 20 0 HFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccc3N)CC2)c2ccccc21 ZINC001164680333 719662902 /nfs/dbraw/zinc/66/29/02/719662902.db2.gz FQPDYGAJEAHLSS-SFHVURJKSA-N 1 0 407.562 2.757 20 0 HFADRO Cc1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681061 719663081 /nfs/dbraw/zinc/66/30/81/719663081.db2.gz MDZMEOFSJMSGDB-IBGZPJMESA-N 1 0 407.562 2.878 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164689361 719738149 /nfs/dbraw/zinc/73/81/49/719738149.db2.gz CPQKDXWYLOFVSN-UHFFFAOYSA-N 1 0 409.321 2.512 20 0 HFADRO CCOc1ccc(-c2ccc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)nn2)cc1 ZINC001164689890 719746707 /nfs/dbraw/zinc/74/67/07/719746707.db2.gz NTIBCFYMFLAKSH-UHFFFAOYSA-N 1 0 409.534 2.723 20 0 HFADRO Cn1cc([C@@H]2COC3(C2)CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cn1 ZINC001164699617 719826216 /nfs/dbraw/zinc/82/62/16/719826216.db2.gz YFTRNDNSSARAAE-IBGZPJMESA-N 1 0 411.550 2.833 20 0 HFADRO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164696323 719835632 /nfs/dbraw/zinc/83/56/32/719835632.db2.gz SOIVLNHPZNPXMK-FQEVSTJZSA-N 1 0 419.533 2.522 20 0 HFADRO CCOC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncn1 ZINC001164695752 719889818 /nfs/dbraw/zinc/88/98/18/719889818.db2.gz VASHYVAMEOZKEE-UHFFFAOYSA-N 1 0 402.520 2.586 20 0 HFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164811265 720078117 /nfs/dbraw/zinc/07/81/17/720078117.db2.gz NMUJHWXOCUILOX-KOSHJBKYSA-N 1 0 424.545 2.991 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164716027 720117971 /nfs/dbraw/zinc/11/79/71/720117971.db2.gz IKVWBFPHJZGTQK-IBGZPJMESA-N 1 0 408.550 2.737 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164809668 720129096 /nfs/dbraw/zinc/12/90/96/720129096.db2.gz HVSIOSIXBQSDDD-VGSWGCGISA-N 1 0 402.539 2.617 20 0 HFADRO Cc1cccc2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc12 ZINC001164715772 720165055 /nfs/dbraw/zinc/16/50/55/720165055.db2.gz WOKZMPNCIAYVSV-FQEVSTJZSA-N 1 0 406.534 2.888 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164816250 720174266 /nfs/dbraw/zinc/17/42/66/720174266.db2.gz KLQXVICYJXCRMN-MAUKXSAKSA-N 1 0 416.900 2.782 20 0 HFADRO Cn1nnc2c1CCN(c1nc(Cl)ccc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164715442 720175976 /nfs/dbraw/zinc/17/59/76/720175976.db2.gz CFPKBQREJHQPFU-HNNXBMFYSA-N 1 0 411.337 2.733 20 0 HFADRO COc1cccc2c1ccnc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715825 720199734 /nfs/dbraw/zinc/19/97/34/720199734.db2.gz NHOAMVQCHMACOV-HXUWFJFHSA-N 1 0 422.533 2.588 20 0 HFADRO CCCSc1cncc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164812110 720239915 /nfs/dbraw/zinc/23/99/15/720239915.db2.gz BGIPPFFNTTVZIJ-UHFFFAOYSA-N 1 0 402.568 2.786 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3[nH]ccc32)CC1 ZINC001164817297 720287480 /nfs/dbraw/zinc/28/74/80/720287480.db2.gz CFDFRZAJJHSIPD-HZPDHXFCSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc(C3CC3)n2)CC1 ZINC001164827842 720299002 /nfs/dbraw/zinc/29/90/02/720299002.db2.gz YHSPWCBCBOPUQX-IRXDYDNUSA-N 1 0 403.958 2.919 20 0 HFADRO Cc1nc2cc(F)ccc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823127 720307137 /nfs/dbraw/zinc/30/71/37/720307137.db2.gz OPYMRCFIGXLANA-RTWAWAEBSA-N 1 0 411.525 2.989 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2SCC3)CC1 ZINC001164828231 720311117 /nfs/dbraw/zinc/31/11/17/720311117.db2.gz ZEWRMEMRPZJFIO-JKSUJKDBSA-N 1 0 421.998 2.690 20 0 HFADRO COc1ccc2ncc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164826314 720319160 /nfs/dbraw/zinc/31/91/60/720319160.db2.gz GEQLPTQYWIACKW-LEWJYISDSA-N 1 0 409.534 2.550 20 0 HFADRO CCOc1ccc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164829843 720322578 /nfs/dbraw/zinc/32/25/78/720322578.db2.gz OHQVSUHFGNNBMR-YADHBBJMSA-N 1 0 423.561 2.940 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC001164831392 720332490 /nfs/dbraw/zinc/33/24/90/720332490.db2.gz RWPYWQGXYLLRRH-HOTGVXAUSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nccnc2Cl)CC1 ZINC001164829483 720333735 /nfs/dbraw/zinc/33/37/35/720333735.db2.gz MSUBFMYMUKCKOS-CABCVRRESA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccnc(Cc3ccccc3)n2)CC1 ZINC001164827462 720344641 /nfs/dbraw/zinc/34/46/41/720344641.db2.gz LRNQIMJQAKFRIA-FGZHOGPDSA-N 1 0 419.573 2.979 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(C3CC3)nc3[nH]ccc32)CC1 ZINC001164828367 720351819 /nfs/dbraw/zinc/35/18/19/720351819.db2.gz OLNOCBLDZMEBHM-OALUTQOASA-N 1 0 408.550 2.747 20 0 HFADRO COc1cc(C)c2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828351 720357503 /nfs/dbraw/zinc/35/75/03/720357503.db2.gz OITQCOHLSVQCLJ-SFTDATJTSA-N 1 0 423.561 2.858 20 0 HFADRO c1ccc2nc(N3CCOCC3)c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164721762 720380605 /nfs/dbraw/zinc/38/06/05/720380605.db2.gz AYOWSRYMMGXTMA-VXKWHMMOSA-N 1 0 416.529 2.715 20 0 HFADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724240 720401231 /nfs/dbraw/zinc/40/12/31/720401231.db2.gz IMZYFTOZZZDQJU-VQTJNVASSA-N 1 0 401.518 2.853 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(CN(C)C(C)=O)nnc3C2)nc1 ZINC001164828545 720415197 /nfs/dbraw/zinc/41/51/97/720415197.db2.gz XDGVIQNKJWMXMB-IBGZPJMESA-N 1 0 411.554 2.609 20 0 HFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)no1 ZINC001164734794 720432333 /nfs/dbraw/zinc/43/23/33/720432333.db2.gz UOFHDYRTDSXWKC-OALUTQOASA-N 1 0 404.474 2.879 20 0 HFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731553 720483367 /nfs/dbraw/zinc/48/33/67/720483367.db2.gz WKTIRMRBEWZHIK-KBMXLJTQSA-N 1 0 401.898 2.655 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1C(=O)OCC ZINC001164725781 720484438 /nfs/dbraw/zinc/48/44/38/720484438.db2.gz KEEHIBQTOLUMHI-WOJBJXKFSA-N 1 0 424.501 2.683 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1C(=O)OCC ZINC001164725778 720484758 /nfs/dbraw/zinc/48/47/58/720484758.db2.gz KEEHIBQTOLUMHI-PMACEKPBSA-N 1 0 424.501 2.683 20 0 HFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164728328 720486883 /nfs/dbraw/zinc/48/68/83/720486883.db2.gz PEMZCQSWGRRSAO-SJORKVTESA-N 1 0 400.914 2.518 20 0 HFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]21)N1CCCCC1 ZINC001164835743 720501951 /nfs/dbraw/zinc/50/19/51/720501951.db2.gz KVFWRUIIPHDLRJ-BDTNDASRSA-N 1 0 412.578 2.921 20 0 HFADRO COc1cnc(SC)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839465 720513280 /nfs/dbraw/zinc/51/32/80/720513280.db2.gz UUSPIDWHZWCDJR-IXDOHACOSA-N 1 0 402.568 2.781 20 0 HFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1 ZINC001164726185 720517473 /nfs/dbraw/zinc/51/74/73/720517473.db2.gz BGSIFIHIMRMPGI-OAHLLOKOSA-N 1 0 404.946 2.612 20 0 HFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834953 720518268 /nfs/dbraw/zinc/51/82/68/720518268.db2.gz IQEVTEOWVWKUGZ-XKGZKEIXSA-N 1 0 415.513 2.972 20 0 HFADRO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839978 720525180 /nfs/dbraw/zinc/52/51/80/720525180.db2.gz VCHYUDMTEUQJRB-CMKODMSKSA-N 1 0 412.538 2.536 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc12 ZINC001164840066 720525905 /nfs/dbraw/zinc/52/59/05/720525905.db2.gz WGTVKXOQXUZDEA-ABSDTBQOSA-N 1 0 422.533 2.924 20 0 HFADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)cc1C(N)=O ZINC001164735530 720546557 /nfs/dbraw/zinc/54/65/57/720546557.db2.gz PAEMJUNHJXSTBU-LBPRGKRZSA-N 1 0 416.900 2.895 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)CC[C@@H]21 ZINC001164834191 720550905 /nfs/dbraw/zinc/55/09/05/720550905.db2.gz CONKQMWFIJJUJO-DOXZYTNZSA-N 1 0 414.941 2.804 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)NC4CC4)cn3)CC[C@@H]21 ZINC001164836772 720554965 /nfs/dbraw/zinc/55/49/65/720554965.db2.gz KWZTVEHPLNRMJC-JBACZVJFSA-N 1 0 408.550 2.548 20 0 HFADRO CCOC(=O)c1cc2ccnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2[nH]1 ZINC001164728055 720558384 /nfs/dbraw/zinc/55/83/84/720558384.db2.gz IKZJJAMBHFSRFO-UHFFFAOYSA-N 1 0 408.506 2.595 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3[nH+][n-]c(Cl)c4ncnc3-4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836826 720566734 /nfs/dbraw/zinc/56/67/34/720566734.db2.gz LGEBYMWCSMCGBA-QLFBSQMISA-N 1 0 400.918 2.581 20 0 HFADRO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843126 720602770 /nfs/dbraw/zinc/60/27/70/720602770.db2.gz WMUDOBWSZRNMLA-SFHLNBCPSA-N 1 0 410.566 2.796 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC001164840358 720665636 /nfs/dbraw/zinc/66/56/36/720665636.db2.gz LRVGNBNNIFBPBE-OAQYLSRUSA-N 1 0 423.561 2.573 20 0 HFADRO Fc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1F ZINC001164737764 720675684 /nfs/dbraw/zinc/67/56/84/720675684.db2.gz GWOLGSYQEWKKBH-NEPJUHHUSA-N 1 0 418.835 2.693 20 0 HFADRO Fc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736785 720681389 /nfs/dbraw/zinc/68/13/89/720681389.db2.gz BGFATUYBOORDRX-OLZOCXBDSA-N 1 0 400.845 2.554 20 0 HFADRO c1[nH]c2ccccc2c1-c1ccnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736690 720690263 /nfs/dbraw/zinc/69/02/63/720690263.db2.gz ALDQGKIZRJHVBH-IAGOWNOFSA-N 1 0 413.485 2.757 20 0 HFADRO Clc1cc(Cc2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743494 720739537 /nfs/dbraw/zinc/73/95/37/720739537.db2.gz QMQGGYAPOSSDTC-RTBURBONSA-N 1 0 422.920 2.853 20 0 HFADRO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843490 720739862 /nfs/dbraw/zinc/73/98/62/720739862.db2.gz LHNGBBIQLIVSIG-UHFFFAOYSA-N 1 0 422.871 2.752 20 0 HFADRO c1ccc(COc2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164746927 720755441 /nfs/dbraw/zinc/75/54/41/720755441.db2.gz YYPSTFKIQMCJKA-UXHICEINSA-N 1 0 403.486 2.793 20 0 HFADRO Clc1cccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164738690 720764008 /nfs/dbraw/zinc/76/40/08/720764008.db2.gz GWDHRONNXBAGIL-MSOLQXFVSA-N 1 0 408.893 2.929 20 0 HFADRO Fc1ccc(COc2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164740421 720778994 /nfs/dbraw/zinc/77/89/94/720778994.db2.gz LAVYIEBHFDFSSJ-UXHICEINSA-N 1 0 421.476 2.932 20 0 HFADRO Fc1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164744202 720779196 /nfs/dbraw/zinc/77/91/96/720779196.db2.gz RLYWDXUQIXEWSH-WMZOPIPTSA-N 1 0 408.437 2.540 20 0 HFADRO Fc1cccc(F)c1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164738233 720781839 /nfs/dbraw/zinc/78/18/39/720781839.db2.gz FGZVOCSWLKDDHZ-GJZGRUSLSA-N 1 0 410.428 2.554 20 0 HFADRO c1ccc(CSc2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164746077 720789643 /nfs/dbraw/zinc/78/96/43/720789643.db2.gz LSWBFLSYPFMKME-OALUTQOASA-N 1 0 420.542 2.901 20 0 HFADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCC2 ZINC001164740765 720815038 /nfs/dbraw/zinc/81/50/38/720815038.db2.gz AJANACRMBIHCEP-JTDSTZFVSA-N 1 0 413.957 2.590 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743850 720816104 /nfs/dbraw/zinc/81/61/04/720816104.db2.gz SVYMPGCXZKKVCI-HLLBOEOZSA-N 1 0 419.986 2.823 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746903 720817358 /nfs/dbraw/zinc/81/73/58/720817358.db2.gz ZLBNGSHHVUVNEL-QKNQBKEWSA-N 1 0 424.549 2.538 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743994 720828314 /nfs/dbraw/zinc/82/83/14/720828314.db2.gz TVUZPRUGUUMLSG-KGVIQGDOSA-N 1 0 419.533 2.609 20 0 HFADRO COc1ccc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746747 720829505 /nfs/dbraw/zinc/82/95/05/720829505.db2.gz YTZZNGVYZJXHDE-LZLYRXPVSA-N 1 0 402.930 2.715 20 0 HFADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739952 720833968 /nfs/dbraw/zinc/83/39/68/720833968.db2.gz BCVIBRPHOGUNND-PWRODBHTSA-N 1 0 416.533 2.510 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164747787 720833976 /nfs/dbraw/zinc/83/39/76/720833976.db2.gz RRDOJNSFXAHDBA-BBTUJRGHSA-N 1 0 419.533 2.609 20 0 HFADRO Fc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164748050 720840576 /nfs/dbraw/zinc/84/05/76/720840576.db2.gz SIXMLXJBQADMHP-YFVAEKQCSA-N 1 0 407.497 2.740 20 0 HFADRO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748731 720841332 /nfs/dbraw/zinc/84/13/32/720841332.db2.gz URZHLFODMGZQKB-OWCLPIDISA-N 1 0 423.899 2.646 20 0 HFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2s1 ZINC001164748867 720841822 /nfs/dbraw/zinc/84/18/22/720841822.db2.gz VAYCHSYTGFMGDZ-YQVWRLOYSA-N 1 0 409.563 2.971 20 0 HFADRO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742530 720842982 /nfs/dbraw/zinc/84/29/82/720842982.db2.gz HGRNZJAHJOVEEG-IRFCIJBXSA-N 1 0 420.565 2.983 20 0 HFADRO COc1ccnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751164 720854507 /nfs/dbraw/zinc/85/45/07/720854507.db2.gz QMPGCVNHMSLMSU-YESZJQIVSA-N 1 0 402.930 2.715 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@@H]2C1 ZINC001164851564 720855252 /nfs/dbraw/zinc/85/52/52/720855252.db2.gz AYYCMPNCVVDNMV-CZUORRHYSA-N 1 0 414.884 2.935 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@H]2C1 ZINC001164855470 720861015 /nfs/dbraw/zinc/86/10/15/720861015.db2.gz MWMWDWKFOKBZRV-HKUYNNGSSA-N 1 0 408.974 2.504 20 0 HFADRO CCOc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)nn2)cc1 ZINC001164862102 720882121 /nfs/dbraw/zinc/88/21/21/720882121.db2.gz QPDNZBMFMYJDSY-SIKLNZKXSA-N 1 0 412.534 2.716 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)cc(OCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164858578 720885326 /nfs/dbraw/zinc/88/53/26/720885326.db2.gz LFJCKYKCQWBVMH-RTWAWAEBSA-N 1 0 412.534 2.538 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@H]2C1 ZINC001164858471 720886079 /nfs/dbraw/zinc/88/60/79/720886079.db2.gz KXSBZDAZNIRSQF-SUMWQHHRSA-N 1 0 410.440 2.880 20 0 HFADRO COc1ncnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164756288 720887711 /nfs/dbraw/zinc/88/77/11/720887711.db2.gz PDBWHHLHQLHJHU-URXFXBBRSA-N 1 0 423.561 2.944 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@@H]2C1 ZINC001164864647 720887967 /nfs/dbraw/zinc/88/79/67/720887967.db2.gz WGEAMJDGYMVMFL-UYAOXDASSA-N 1 0 414.575 2.942 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CC[C@H]2C1 ZINC001164856750 720888116 /nfs/dbraw/zinc/88/81/16/720888116.db2.gz JDBSONJEFXVHAX-RXVVDRJESA-N 1 0 400.498 2.765 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164855013 720922659 /nfs/dbraw/zinc/92/26/59/720922659.db2.gz HCSJHZNTBUNADL-ZDUSSCGKSA-N 1 0 406.918 2.925 20 0 HFADRO CCOC(=O)Cc1nc(Cl)cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863235 720953552 /nfs/dbraw/zinc/95/35/52/720953552.db2.gz ZAUXPDBAAUXHOK-AWEZNQCLSA-N 1 0 420.945 2.854 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164752309 720954596 /nfs/dbraw/zinc/95/45/96/720954596.db2.gz VYURVEGNLKTTGQ-UHFFFAOYSA-N 1 0 417.872 2.869 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164758297 721000186 /nfs/dbraw/zinc/00/01/86/721000186.db2.gz UWIPCZPGIMVKPH-XRXFAXGQSA-N 1 0 415.582 2.741 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)NC3CCCC3)nn1)[C@@H]2C ZINC001164861173 721010887 /nfs/dbraw/zinc/01/08/87/721010887.db2.gz NMJWZSAOZLABSJ-MRXNPFEDSA-N 1 0 411.554 2.767 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)ncn1)[C@@H]2C ZINC001164858088 721014163 /nfs/dbraw/zinc/01/41/63/721014163.db2.gz GBNZYRBOJKXWJQ-MRXNPFEDSA-N 1 0 401.584 2.648 20 0 HFADRO CCOC(=O)c1cnc(CC)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858841 721015708 /nfs/dbraw/zinc/01/57/08/721015708.db2.gz HWVNJQNEWZYPTM-OAHLLOKOSA-N 1 0 400.527 2.834 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870436 721042903 /nfs/dbraw/zinc/04/29/03/721042903.db2.gz VWHWPGPHYOVDGM-MSOLQXFVSA-N 1 0 416.909 2.786 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868737 721044121 /nfs/dbraw/zinc/04/41/21/721044121.db2.gz QENZHPQFCUYFDJ-DLBZAZTESA-N 1 0 416.909 2.786 20 0 HFADRO CCOC(=O)/C=C/c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870628 721050372 /nfs/dbraw/zinc/05/03/72/721050372.db2.gz WLGGOHQGVJOOJY-DVFFMCNPSA-N 1 0 408.502 2.533 20 0 HFADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164869071 721053783 /nfs/dbraw/zinc/05/37/83/721053783.db2.gz RHWBJPBBVITXTL-IRXDYDNUSA-N 1 0 416.909 2.786 20 0 HFADRO c1ccc(COc2cncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867130 721062271 /nfs/dbraw/zinc/06/22/71/721062271.db2.gz IHCRXZYOEDFWRL-YADHBBJMSA-N 1 0 417.513 2.930 20 0 HFADRO CCOC(=O)c1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ncc1Cl ZINC001164763617 721081706 /nfs/dbraw/zinc/08/17/06/721081706.db2.gz GDYOXQHTZUAHEH-CVEARBPZSA-N 1 0 403.914 2.604 20 0 HFADRO c1ccc(COc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864032 721086154 /nfs/dbraw/zinc/08/61/54/721086154.db2.gz DNPNUIGTRIOHJE-VXKWHMMOSA-N 1 0 417.513 2.930 20 0 HFADRO CC(C)(C)OC(=O)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865649 721087989 /nfs/dbraw/zinc/08/79/89/721087989.db2.gz NWDOVYSWAKSQNM-WOJBJXKFSA-N 1 0 410.518 2.912 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164866951 721097783 /nfs/dbraw/zinc/09/77/83/721097783.db2.gz VLKATCPDRMNNID-GJZGRUSLSA-N 1 0 416.938 2.923 20 0 HFADRO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH]c-2n1 ZINC001164865609 721114477 /nfs/dbraw/zinc/11/44/77/721114477.db2.gz NKMATTKCJZXNIP-RTBURBONSA-N 1 0 421.501 2.614 20 0 HFADRO COc1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)n1 ZINC001164772727 721124445 /nfs/dbraw/zinc/12/44/45/721124445.db2.gz VRUOFYDNASSNPM-GJZGRUSLSA-N 1 0 411.884 2.980 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164875355 721135902 /nfs/dbraw/zinc/13/59/02/721135902.db2.gz KXVIUAPSMBCDNY-SFTDATJTSA-N 1 0 402.502 2.722 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164765677 721164875 /nfs/dbraw/zinc/16/48/75/721164875.db2.gz IDDOUBHJSXNLCC-MOPGFXCFSA-N 1 0 405.502 2.713 20 0 HFADRO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164774376 721178968 /nfs/dbraw/zinc/17/89/68/721178968.db2.gz YTAOVMDRVMRVRI-RTWAWAEBSA-N 1 0 417.561 2.901 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@@H]3C2)cn1 ZINC001164766006 721179181 /nfs/dbraw/zinc/17/91/81/721179181.db2.gz IUKGPASBKWWIQU-OLZOCXBDSA-N 1 0 414.913 2.655 20 0 HFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2)C1 ZINC001164769379 721195475 /nfs/dbraw/zinc/19/54/75/721195475.db2.gz MFFUUSJVAPAYIA-BVYCBKJFSA-N 1 0 422.577 2.646 20 0 HFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2)C1 ZINC001164769387 721196545 /nfs/dbraw/zinc/19/65/45/721196545.db2.gz MFFUUSJVAPAYIA-QIJUGHKUSA-N 1 0 422.577 2.646 20 0 HFADRO COc1cccc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)c1 ZINC001164770853 721201496 /nfs/dbraw/zinc/20/14/96/721201496.db2.gz OXKNBECRBASROB-PMACEKPBSA-N 1 0 404.518 2.844 20 0 HFADRO COc1ccc(-c2cc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ncn2)cc1 ZINC001164772871 721210351 /nfs/dbraw/zinc/21/03/51/721210351.db2.gz VTRAALVLGKKNDT-UXHICEINSA-N 1 0 404.518 2.844 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)nc1 ZINC001164769338 721266092 /nfs/dbraw/zinc/26/60/92/721266092.db2.gz XMUMXKINKFCRNG-NJYVYQBISA-N 1 0 408.550 2.903 20 0 HFADRO c1ncn2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@@H](COc1cccnc1)C2 ZINC001164769068 721276321 /nfs/dbraw/zinc/27/63/21/721276321.db2.gz OBFYZBCDAROKFO-LJQANCHMSA-N 1 0 404.518 2.984 20 0 HFADRO c1cc(N2CCOCC2)ccc1-c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nn1 ZINC001164774665 721301848 /nfs/dbraw/zinc/30/18/48/721301848.db2.gz GYNMCLZIPUVHIK-UHFFFAOYSA-N 1 0 405.546 2.902 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001164887500 721339237 /nfs/dbraw/zinc/33/92/37/721339237.db2.gz UZVJPLOKGCXHGD-UTKZUKDTSA-N 1 0 407.942 2.558 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccoc54)C3)O2)CC1 ZINC001164894488 721389527 /nfs/dbraw/zinc/38/95/27/721389527.db2.gz YJMUFRRMWJRDDK-MGPUTAFESA-N 1 0 405.930 2.642 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccnc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164885706 721390261 /nfs/dbraw/zinc/39/02/61/721390261.db2.gz DDJBPDAJFCEOKX-ZJSXRUAMSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164892517 721400431 /nfs/dbraw/zinc/40/04/31/721400431.db2.gz YQAKAAYKEZJCJI-HRAATJIYSA-N 1 0 418.973 2.685 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164883898 721411089 /nfs/dbraw/zinc/41/10/89/721411089.db2.gz CLLCQBKQQKFCMI-DFQSSKMNSA-N 1 0 412.937 2.628 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884041 721415196 /nfs/dbraw/zinc/41/51/96/721415196.db2.gz CZYUVDJXDNATMV-HNAYVOBHSA-N 1 0 412.003 2.617 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884044 721415725 /nfs/dbraw/zinc/41/57/25/721415725.db2.gz CZYUVDJXDNATMV-KXBFYZLASA-N 1 0 412.003 2.617 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccoc54)C3)O2)CC1 ZINC001164890522 721423205 /nfs/dbraw/zinc/42/32/05/721423205.db2.gz SYZGYTBWPBXIQJ-QRWLVFNGSA-N 1 0 405.930 2.642 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889569 721440586 /nfs/dbraw/zinc/44/05/86/721440586.db2.gz BTWLBYRHHRUGCV-RCZVLFRGSA-N 1 0 421.589 2.833 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164888806 721442099 /nfs/dbraw/zinc/44/20/99/721442099.db2.gz AZQHIUPEWDSHOD-WIYYLYMNSA-N 1 0 405.612 2.743 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164888802 721442174 /nfs/dbraw/zinc/44/21/74/721442174.db2.gz AZQHIUPEWDSHOD-RXVVDRJESA-N 1 0 405.612 2.743 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5c(nc4Cl)CCCC5)C3)O2)CC1 ZINC001164888401 721451788 /nfs/dbraw/zinc/45/17/88/721451788.db2.gz LXXDCOZGYVPQRB-VGOFRKELSA-N 1 0 420.001 2.774 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(OC)n1)CC2 ZINC001164785843 721458449 /nfs/dbraw/zinc/45/84/49/721458449.db2.gz NXLIDKNTPFFEGB-LJQANCHMSA-N 1 0 404.555 2.528 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164784505 721459655 /nfs/dbraw/zinc/45/96/55/721459655.db2.gz INICLVBSCACTNC-LJQANCHMSA-N 1 0 415.582 2.569 20 0 HFADRO CCOc1nccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789323 721460799 /nfs/dbraw/zinc/46/07/99/721460799.db2.gz WXKKDUPLGFRMMK-LJQANCHMSA-N 1 0 404.555 2.609 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164797073 721504419 /nfs/dbraw/zinc/50/44/19/721504419.db2.gz YPQMDNFNIRSSCI-UHFFFAOYSA-N 1 0 406.534 2.729 20 0 HFADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCC1 ZINC001164900321 721509080 /nfs/dbraw/zinc/50/90/80/721509080.db2.gz QDORNYYDWAHWKU-AZUAARDMSA-N 1 0 410.493 2.799 20 0 HFADRO Cc1cc2c(nc(Cl)nc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)s1 ZINC001164794240 721511404 /nfs/dbraw/zinc/51/14/04/721511404.db2.gz MALJBIKDKOLLSO-UHFFFAOYSA-N 1 0 417.970 2.617 20 0 HFADRO Cc1nc2cc(Cl)ccc2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164794801 721514106 /nfs/dbraw/zinc/51/41/06/721514106.db2.gz WLXOLGATVLHVIV-UHFFFAOYSA-N 1 0 411.941 2.556 20 0 HFADRO O=C1NCc2c1c(N1CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)nc(Cl)c2F ZINC001164908112 721538882 /nfs/dbraw/zinc/53/88/82/721538882.db2.gz OSICEIWZUPROKW-JSGCOSHPSA-N 1 0 420.847 2.599 20 0 HFADRO CC(C)c1nc(N(C)C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911542 721541456 /nfs/dbraw/zinc/54/14/56/721541456.db2.gz XCOTXHYAYHONDB-WMZOPIPTSA-N 1 0 400.502 2.542 20 0 HFADRO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(C)c1 ZINC001164802311 721542528 /nfs/dbraw/zinc/54/25/28/721542528.db2.gz FXPMOUGELAETRE-QHAWAJNXSA-N 1 0 410.518 2.830 20 0 HFADRO COC(OC)c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164807310 721571053 /nfs/dbraw/zinc/57/10/53/721571053.db2.gz SOYSFHUCQNFGCV-QHAWAJNXSA-N 1 0 412.534 2.945 20 0 HFADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ccc(C[NH+]3CCCC3)cn2)C1 ZINC001164809221 721606543 /nfs/dbraw/zinc/60/65/43/721606543.db2.gz ZGUFWFRSOOHEIC-QHCPKHFHSA-N 1 0 408.550 2.520 20 0 HFADRO CN(C)C(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904184 721699183 /nfs/dbraw/zinc/69/91/83/721699183.db2.gz DQPAQKMKQNYXDA-NRFANRHFSA-N 1 0 415.488 2.916 20 0 HFADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cn1 ZINC001164903632 721701943 /nfs/dbraw/zinc/70/19/43/721701943.db2.gz AWEVZSXATDDCSV-HXUWFJFHSA-N 1 0 417.460 2.786 20 0 HFADRO CCOC(=O)c1nccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908679 721703702 /nfs/dbraw/zinc/70/37/02/721703702.db2.gz YNYSHTOMZBXPPR-FQEVSTJZSA-N 1 0 417.460 2.786 20 0 HFADRO COc1ccc2nc(Cl)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1 ZINC001165009846 721729338 /nfs/dbraw/zinc/72/93/38/721729338.db2.gz ZRHFMBCJELRKNY-UHFFFAOYSA-N 1 0 417.941 2.815 20 0 HFADRO COC(=O)c1ccc2c(ccnc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC001165010598 721736091 /nfs/dbraw/zinc/73/60/91/721736091.db2.gz GFSKALYZKQTZAG-UHFFFAOYSA-N 1 0 410.518 2.544 20 0 HFADRO COc1ccc2nc(Cl)cc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2n1 ZINC001165011125 721739690 /nfs/dbraw/zinc/73/96/90/721739690.db2.gz MKUIHTRLIYYYRY-UHFFFAOYSA-N 1 0 417.941 2.815 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(OCc3ccccc3)cnn2)CC1 ZINC001165011413 721740337 /nfs/dbraw/zinc/74/03/37/721740337.db2.gz WYAUDAHPMFZUIX-UHFFFAOYSA-N 1 0 409.534 2.579 20 0 HFADRO COc1cc2cnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)cc2cc1OC ZINC001165009644 721746295 /nfs/dbraw/zinc/74/62/95/721746295.db2.gz HISPKYZOUNTVQB-UHFFFAOYSA-N 1 0 412.534 2.775 20 0 HFADRO CN(C)c1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2nc[nH]c21 ZINC001165026807 721816369 /nfs/dbraw/zinc/81/63/69/721816369.db2.gz RGGPCTAJBWQXQK-SZMVWBNQSA-N 1 0 406.538 2.551 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(-n4ccccc4=O)n3)C[C@@H]21 ZINC001165021306 721825843 /nfs/dbraw/zinc/82/58/43/721825843.db2.gz DUGIIXSZOZBWHI-HLAWJBBLSA-N 1 0 416.529 2.759 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(N)=O)cc(Cl)n2)CC1 ZINC001165019308 721837950 /nfs/dbraw/zinc/83/79/50/721837950.db2.gz CPGKFTMSYXRRMO-UHFFFAOYSA-N 1 0 418.925 2.952 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)ncc2C(N)=O)CC1 ZINC001165022379 721838652 /nfs/dbraw/zinc/83/86/52/721838652.db2.gz RRSJYJGGAVPAOH-UHFFFAOYSA-N 1 0 418.925 2.952 20 0 HFADRO COC(=O)c1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncc1N ZINC001165022304 721839767 /nfs/dbraw/zinc/83/97/67/721839767.db2.gz RAVRVLWWQPZJKD-UHFFFAOYSA-N 1 0 414.506 2.568 20 0 HFADRO COC(=O)Cc1cccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165022445 721840543 /nfs/dbraw/zinc/84/05/43/721840543.db2.gz SVAQBPGLQHCYNG-UHFFFAOYSA-N 1 0 413.518 2.915 20 0 HFADRO CCOC(=O)c1cncc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165022319 721840693 /nfs/dbraw/zinc/84/06/93/721840693.db2.gz RDUNOHONQYNKBI-UHFFFAOYSA-N 1 0 414.506 2.771 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164923869 721873805 /nfs/dbraw/zinc/87/38/05/721873805.db2.gz KJUPRLXDRZCWBC-IAGOWNOFSA-N 1 0 411.884 2.923 20 0 HFADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(Cl)n1 ZINC001164921890 721876081 /nfs/dbraw/zinc/87/60/81/721876081.db2.gz DLUVUDIHXCMZGX-JKSUJKDBSA-N 1 0 416.900 2.671 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164930902 721877197 /nfs/dbraw/zinc/87/71/97/721877197.db2.gz DHLDOCLSHLOAQA-HOTGVXAUSA-N 1 0 422.911 2.952 20 0 HFADRO c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(c2nc4ccsc4c(N4CCOCC4)n2)C3)co1 ZINC001164929809 721900024 /nfs/dbraw/zinc/90/00/24/721900024.db2.gz XANMPRNZPDCUPD-SJORKVTESA-N 1 0 411.531 2.832 20 0 HFADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165049501 721974137 /nfs/dbraw/zinc/97/41/37/721974137.db2.gz PANJLTTXNZOONL-CYBMUJFWSA-N 1 0 422.929 2.772 20 0 HFADRO COc1ccc(-c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)c(OC)c1 ZINC001165055176 722018821 /nfs/dbraw/zinc/01/88/21/722018821.db2.gz KZEFYLHLVXWMBJ-UHFFFAOYSA-N 1 0 405.502 2.921 20 0 HFADRO FC(F)Oc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963055 722057988 /nfs/dbraw/zinc/05/79/88/722057988.db2.gz GUMXOJADEPVRIN-UHFFFAOYSA-N 1 0 405.449 2.592 20 0 HFADRO COc1cc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2cc1OC ZINC001164967989 722070634 /nfs/dbraw/zinc/07/06/34/722070634.db2.gz XKIMHAOHBJLBNG-OKILXGFUSA-N 1 0 404.898 2.600 20 0 HFADRO C[N@H+](Cc1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001164976610 722090768 /nfs/dbraw/zinc/09/07/68/722090768.db2.gz SCQUPYYWUHDCEZ-XLIONFOSSA-N 1 0 412.559 2.675 20 0 HFADRO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978281 722100117 /nfs/dbraw/zinc/10/01/17/722100117.db2.gz GOZVRHDNPUWSBB-APWZRJJASA-N 1 0 416.909 2.644 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977206 722100748 /nfs/dbraw/zinc/10/07/48/722100748.db2.gz FBCNYVLHVSKFNZ-HOTGVXAUSA-N 1 0 405.955 2.974 20 0 HFADRO Clc1ccc2c(ncnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980657 722104788 /nfs/dbraw/zinc/10/47/88/722104788.db2.gz JUEMXTKBHONUSF-WMZOPIPTSA-N 1 0 410.909 2.801 20 0 HFADRO COC(=O)c1cc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982864 722106019 /nfs/dbraw/zinc/10/60/19/722106019.db2.gz PQMPOTMKZQIIAY-APWZRJJASA-N 1 0 416.909 2.644 20 0 HFADRO COc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164986427 722106781 /nfs/dbraw/zinc/10/67/81/722106781.db2.gz YZQQRRCAQZHYEV-PGRDOPGGSA-N 1 0 405.502 2.761 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986206 722107170 /nfs/dbraw/zinc/10/71/70/722107170.db2.gz YJCHDJKWHNHMKC-RXVVDRJESA-N 1 0 405.502 2.761 20 0 HFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976313 722108214 /nfs/dbraw/zinc/10/82/14/722108214.db2.gz LENXIFHATMFBTC-QRFRQXIXSA-N 1 0 406.889 2.985 20 0 HFADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CSC2 ZINC001164982731 722108709 /nfs/dbraw/zinc/10/87/09/722108709.db2.gz XUTALWWDVLBPBJ-MAUKXSAKSA-N 1 0 417.966 2.999 20 0 HFADRO COc1ccc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164972584 722109005 /nfs/dbraw/zinc/10/90/05/722109005.db2.gz GCWHCONYJIONGY-DENIHFKCSA-N 1 0 405.502 2.761 20 0 HFADRO COc1ccc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164972587 722109138 /nfs/dbraw/zinc/10/91/38/722109138.db2.gz GCWHCONYJIONGY-KNQAVFIVSA-N 1 0 405.502 2.761 20 0 HFADRO CCOc1nc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981879 722109495 /nfs/dbraw/zinc/10/94/95/722109495.db2.gz VJYVAMXMZDSFPJ-IAGOWNOFSA-N 1 0 403.914 2.651 20 0 HFADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)SCC2 ZINC001164976618 722110816 /nfs/dbraw/zinc/11/08/16/722110816.db2.gz LYHOFNCVLJYYQA-RDJZCZTQSA-N 1 0 417.966 2.901 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973316 722117145 /nfs/dbraw/zinc/11/71/45/722117145.db2.gz GZOIQFXOOPRKLX-WBVHZDCISA-N 1 0 405.955 2.974 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973304 722117447 /nfs/dbraw/zinc/11/74/47/722117447.db2.gz GZOIQFXOOPRKLX-DOTOQJQBSA-N 1 0 405.955 2.974 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975623 722118771 /nfs/dbraw/zinc/11/87/71/722118771.db2.gz KBOINCRWEJDADR-GCJKJVERSA-N 1 0 405.502 2.761 20 0 HFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971951 722120905 /nfs/dbraw/zinc/12/09/05/722120905.db2.gz DZMIANSKPSUCMB-CRAIPNDOSA-N 1 0 423.895 2.984 20 0 HFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984652 722132773 /nfs/dbraw/zinc/13/27/73/722132773.db2.gz YFWOFKIYGAJMTI-UXHICEINSA-N 1 0 410.518 2.689 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@H]3C2)c1 ZINC001164983860 722139602 /nfs/dbraw/zinc/13/96/02/722139602.db2.gz VWLFFBHOFCWKLX-SFTDATJTSA-N 1 0 408.550 2.589 20 0 HFADRO COC(=O)c1ccc2c(ccnc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001164999952 722252463 /nfs/dbraw/zinc/25/24/63/722252463.db2.gz JTHXLYUODYOJDL-UHFFFAOYSA-N 1 0 423.517 2.706 20 0 HFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(N3CCCC3)cc[nH+]1)C2 ZINC001165007223 722266273 /nfs/dbraw/zinc/26/62/73/722266273.db2.gz QMNUEBPAGVENRS-HSZRJFAPSA-N 1 0 409.509 2.748 20 0 HFADRO O=C(OCc1ccccc1)N1CCN(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)CC1 ZINC000790511454 1078048274 /nfs/dbraw/zinc/04/82/74/1078048274.db2.gz GNXPLULBSCCEOW-UHFFFAOYSA-N 1 0 418.457 2.839 20 0 HFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000793018366 1078050511 /nfs/dbraw/zinc/05/05/11/1078050511.db2.gz DGHHLYNYQXPCTO-CHWSQXEVSA-N 1 0 409.328 2.552 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000790574039 1078058246 /nfs/dbraw/zinc/05/82/46/1078058246.db2.gz ANJMCJNALHEZMK-INIZCTEOSA-N 1 0 405.543 2.553 20 0 HFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cnc(Br)c(Cl)c1 ZINC000790543389 1078059806 /nfs/dbraw/zinc/05/98/06/1078059806.db2.gz LODOEXKJWIWNBS-UHFFFAOYSA-N 1 0 411.687 2.910 20 0 HFADRO CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC000790543428 1078059882 /nfs/dbraw/zinc/05/98/82/1078059882.db2.gz RYNQCCREALLRQV-HXUWFJFHSA-N 1 0 404.530 2.980 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000790583658 1078061872 /nfs/dbraw/zinc/06/18/72/1078061872.db2.gz OAAFFFSMPQSEME-MRXNPFEDSA-N 1 0 406.328 2.880 20 0 HFADRO COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000790584517 1078062024 /nfs/dbraw/zinc/06/20/24/1078062024.db2.gz SLIQIWVRWKTBNA-RTBURBONSA-N 1 0 405.539 2.555 20 0 HFADRO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(N4C(=O)N[C@@](C)(C5CC5)C4=O)cc3)cc12 ZINC000790605274 1078065402 /nfs/dbraw/zinc/06/54/02/1078065402.db2.gz BERARPGZNZYLFX-QHCPKHFHSA-N 1 0 418.501 2.791 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000793091493 1078066877 /nfs/dbraw/zinc/06/68/77/1078066877.db2.gz HYXGUXBTAGNBGV-WVBUVRCRSA-N 1 0 400.523 2.570 20 0 HFADRO COCC1(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793059794 1078068981 /nfs/dbraw/zinc/06/89/81/1078068981.db2.gz QGJZERLRBVEDDE-QZTJIDSGSA-N 1 0 411.587 2.887 20 0 HFADRO CCOC(=O)c1c(CCCOC(=O)c2ccc3c[nH+]cn3c2)cnc2cc(C)nn21 ZINC000793125026 1078071762 /nfs/dbraw/zinc/07/17/62/1078071762.db2.gz GTZVSKUBNIIKMW-UHFFFAOYSA-N 1 0 407.430 2.652 20 0 HFADRO Cc1cc(NC(=O)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cnc1Cl ZINC000793096674 1078074247 /nfs/dbraw/zinc/07/42/47/1078074247.db2.gz MUMPSYDWSOGIMS-UHFFFAOYSA-N 1 0 416.909 2.771 20 0 HFADRO Cc1cc(C)n2c(C[NH2+]Cc3ccc(N4C(=O)N[C@](C)(C5CC5)C4=O)cc3)cnc2n1 ZINC000790611965 1078075500 /nfs/dbraw/zinc/07/55/00/1078075500.db2.gz ZNZOVSXIKCUGEQ-HSZRJFAPSA-N 1 0 418.501 2.861 20 0 HFADRO C[NH+]1CCC(CNC(=S)NCc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000790613082 1078075936 /nfs/dbraw/zinc/07/59/36/1078075936.db2.gz OKJCGVLQYVKOQZ-UHFFFAOYSA-N 1 0 424.368 2.805 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000793100734 1078076579 /nfs/dbraw/zinc/07/65/79/1078076579.db2.gz CGOSOMBOCZECDZ-GOSISDBHSA-N 1 0 402.539 2.808 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1 ZINC000793109628 1078081004 /nfs/dbraw/zinc/08/10/04/1078081004.db2.gz TXYPRRNNKBJZBF-GOSISDBHSA-N 1 0 418.925 2.772 20 0 HFADRO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772827117 1078084599 /nfs/dbraw/zinc/08/45/99/1078084599.db2.gz HBZRSNWXUCULGY-UWUFEASWSA-N 1 0 422.573 2.849 20 0 HFADRO Cc1nccn1-c1ccc(CNC(=O)NCc2ccn(Cc3ccccc3)n2)cn1 ZINC000790673559 1078086792 /nfs/dbraw/zinc/08/67/92/1078086792.db2.gz PMZDARJKBLOMKS-UHFFFAOYSA-N 1 0 401.474 2.820 20 0 HFADRO Cn1c2nn(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000772828306 1078090363 /nfs/dbraw/zinc/09/03/63/1078090363.db2.gz MEYKZEVOMWFQPI-CRAIPNDOSA-N 1 0 424.574 2.623 20 0 HFADRO O=C(OCCCOCCC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793150180 1078091130 /nfs/dbraw/zinc/09/11/30/1078091130.db2.gz WZOXVAWXVOLOJT-IBGZPJMESA-N 1 0 409.548 2.774 20 0 HFADRO COCC1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790658218 1078095290 /nfs/dbraw/zinc/09/52/90/1078095290.db2.gz SIAYNYGOAFKUAO-UHFFFAOYSA-N 1 0 424.586 2.576 20 0 HFADRO CCC[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000790657785 1078095299 /nfs/dbraw/zinc/09/52/99/1078095299.db2.gz RMXJDWZLTFISIK-RDJZCZTQSA-N 1 0 400.539 2.850 20 0 HFADRO Cn1cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000793181330 1078095642 /nfs/dbraw/zinc/09/56/42/1078095642.db2.gz BTGSHUFHGDWWMR-QFIPXVFZSA-N 1 0 423.517 2.917 20 0 HFADRO Cc1cc(C)c(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1C=O ZINC000793184783 1078096025 /nfs/dbraw/zinc/09/60/25/1078096025.db2.gz ZBXQUHRKEWXTQH-UHFFFAOYSA-N 1 0 401.551 2.672 20 0 HFADRO C[N@H+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C1CCCCC1 ZINC000793213712 1078099190 /nfs/dbraw/zinc/09/91/90/1078099190.db2.gz DWEXJZPYJUNCTG-NHCUHLMSSA-N 1 0 424.545 2.959 20 0 HFADRO Cc1ccc(N2C(=O)C(=O)N(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000772829080 1078099884 /nfs/dbraw/zinc/09/98/84/1078099884.db2.gz RBNJZAJONBRCGL-FXAWDEMLSA-N 1 0 410.518 2.505 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790770245 1078113334 /nfs/dbraw/zinc/11/33/34/1078113334.db2.gz PWPRSGAEXRXRDW-ULQDDVLXSA-N 1 0 400.539 2.706 20 0 HFADRO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)ccc21 ZINC000793290328 1078119549 /nfs/dbraw/zinc/11/95/49/1078119549.db2.gz FGJFIWZYHXJHHX-RBUKOAKNSA-N 1 0 415.534 2.967 20 0 HFADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001691696285 1078123581 /nfs/dbraw/zinc/12/35/81/1078123581.db2.gz SVUKHZCXQCVXME-ZVDOUQERSA-N 1 0 418.630 2.964 20 0 HFADRO C[NH+](C)CCNC(=S)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000793309116 1078124504 /nfs/dbraw/zinc/12/45/04/1078124504.db2.gz WBASONQSWWDSSM-PXNSSMCTSA-N 1 0 403.523 2.603 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000790817850 1078154245 /nfs/dbraw/zinc/15/42/45/1078154245.db2.gz HQTRLFBXNMAWGW-SIKLNZKXSA-N 1 0 408.502 2.793 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790817853 1078154281 /nfs/dbraw/zinc/15/42/81/1078154281.db2.gz HQTRLFBXNMAWGW-UGKGYDQZSA-N 1 0 408.502 2.793 20 0 HFADRO CS[C@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@@H]1[NH+](C)C ZINC000790823941 1078157249 /nfs/dbraw/zinc/15/72/49/1078157249.db2.gz GQJHGTDBFJOEFH-UWVGGRQHSA-N 1 0 423.174 2.724 20 0 HFADRO Cc1c(Br)cccc1CC(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000790889788 1078173185 /nfs/dbraw/zinc/17/31/85/1078173185.db2.gz MZRVGPGFSIASKT-HDICACEKSA-N 1 0 408.384 2.975 20 0 HFADRO C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000793445085 1078173198 /nfs/dbraw/zinc/17/31/98/1078173198.db2.gz YWMAAUBOVSLMDF-LJQANCHMSA-N 1 0 419.566 2.931 20 0 HFADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(C2CC2)cnc1Cl ZINC000793431877 1078170311 /nfs/dbraw/zinc/17/03/11/1078170311.db2.gz FUWRRYVEAWYOMQ-UHFFFAOYSA-N 1 0 414.941 2.735 20 0 HFADRO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790896543 1078175586 /nfs/dbraw/zinc/17/55/86/1078175586.db2.gz QJTXRCNLIPPJCM-RBUKOAKNSA-N 1 0 402.539 2.928 20 0 HFADRO Cc1cc(C)c(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C=O ZINC000793465886 1078180913 /nfs/dbraw/zinc/18/09/13/1078180913.db2.gz KFPICIWTOYBJEQ-FQEVSTJZSA-N 1 0 407.514 2.743 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000793481316 1078188578 /nfs/dbraw/zinc/18/85/78/1078188578.db2.gz ZQXBZIRRXYRCGR-QGZVFWFLSA-N 1 0 409.571 2.783 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2nccn3c(Br)cnc23)cc1 ZINC000793519601 1078198183 /nfs/dbraw/zinc/19/81/83/1078198183.db2.gz RRRAJIVHKNACEC-CQSZACIVSA-N 1 0 418.295 2.533 20 0 HFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793493082 1078201052 /nfs/dbraw/zinc/20/10/52/1078201052.db2.gz JTEGYQXLDCLJRZ-LBPRGKRZSA-N 1 0 406.568 2.699 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793533600 1078205880 /nfs/dbraw/zinc/20/58/80/1078205880.db2.gz JODCBWPLLJCZCT-KSZLIROESA-N 1 0 409.571 2.639 20 0 HFADRO C[C@H](NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C(C)(C)C[NH+](C)C ZINC000793550789 1078208332 /nfs/dbraw/zinc/20/83/32/1078208332.db2.gz ALDACTKHCLQSKB-SNRMKQJTSA-N 1 0 412.534 2.671 20 0 HFADRO Cn1cncc1CCC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000793582950 1078214735 /nfs/dbraw/zinc/21/47/35/1078214735.db2.gz NCEWLKHAUBFTDQ-OAHLLOKOSA-N 1 0 409.330 2.938 20 0 HFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793585113 1078215309 /nfs/dbraw/zinc/21/53/09/1078215309.db2.gz LTCNBSHRPDEAPG-YYWHXJBOSA-N 1 0 424.545 2.769 20 0 HFADRO C[NH+]1CCC(O)(CNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793591092 1078217367 /nfs/dbraw/zinc/21/73/67/1078217367.db2.gz ADPZWVVVYADUQH-UHFFFAOYSA-N 1 0 403.523 2.561 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(NS(C)(=O)=O)c3)C2)C1 ZINC000793605881 1078223227 /nfs/dbraw/zinc/22/32/27/1078223227.db2.gz RYEDGLKUTGQFSG-FQEVSTJZSA-N 1 0 409.552 2.891 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000793651146 1078241698 /nfs/dbraw/zinc/24/16/98/1078241698.db2.gz KYUBYIQGTHYCIU-ZWKOTPCHSA-N 1 0 409.571 2.735 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793689852 1078246891 /nfs/dbraw/zinc/24/68/91/1078246891.db2.gz OQRCNQJXBSPPCY-GOSISDBHSA-N 1 0 401.551 2.731 20 0 HFADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)CC2OCCCO2)cc1Cl ZINC000793686340 1078255649 /nfs/dbraw/zinc/25/56/49/1078255649.db2.gz HBMMXWATSGXCTJ-UHFFFAOYSA-N 1 0 411.930 2.893 20 0 HFADRO CN(CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(=O)OCc1ccccc1 ZINC000793686579 1078256592 /nfs/dbraw/zinc/25/65/92/1078256592.db2.gz LWQIZCJJFZZKCV-RTWAWAEBSA-N 1 0 417.550 2.529 20 0 HFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793726985 1078268216 /nfs/dbraw/zinc/26/82/16/1078268216.db2.gz UXZQCQZLVWLBML-XZOQPEGZSA-N 1 0 423.557 2.560 20 0 HFADRO COCc1nn(CN2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)c(=O)o1 ZINC000793726669 1078268236 /nfs/dbraw/zinc/26/82/36/1078268236.db2.gz YJGSACHARNLQAR-FQEVSTJZSA-N 1 0 402.539 2.605 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)[NH+]1CCCCC1 ZINC000793719414 1078264305 /nfs/dbraw/zinc/26/43/05/1078264305.db2.gz DWMYVOKZBKVOBL-JXFKEZNVSA-N 1 0 414.937 2.931 20 0 HFADRO COCC1(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793725000 1078266946 /nfs/dbraw/zinc/26/69/46/1078266946.db2.gz CLJPDXUPIPPSEF-UHFFFAOYSA-N 1 0 411.587 2.887 20 0 HFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793726984 1078268130 /nfs/dbraw/zinc/26/81/30/1078268130.db2.gz UXZQCQZLVWLBML-PKTZIBPZSA-N 1 0 423.557 2.560 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436663 1078278067 /nfs/dbraw/zinc/27/80/67/1078278067.db2.gz JMAFXYWUVDVRNP-VGSWGCGISA-N 1 0 401.507 2.824 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000793698006 1078272419 /nfs/dbraw/zinc/27/24/19/1078272419.db2.gz SVIOAUSDELXBJU-VQTJNVASSA-N 1 0 401.551 2.541 20 0 HFADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793708966 1078277864 /nfs/dbraw/zinc/27/78/64/1078277864.db2.gz NCWONIOYZUFKJT-OAHLLOKOSA-N 1 0 410.356 2.673 20 0 HFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C[C@H]1C ZINC000793754921 1078278614 /nfs/dbraw/zinc/27/86/14/1078278614.db2.gz JAMKSICUBPVOKE-WOUAJJJCSA-N 1 0 410.518 2.519 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000793740181 1078286525 /nfs/dbraw/zinc/28/65/25/1078286525.db2.gz FZWSDCJVOOSUFN-IAGOWNOFSA-N 1 0 407.580 2.542 20 0 HFADRO CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793742085 1078287377 /nfs/dbraw/zinc/28/73/77/1078287377.db2.gz NOUWLSUTJIUZJR-TZIWHRDSSA-N 1 0 415.578 2.992 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(Cn3nc(N4CCCCC4)n(C[C@H]4CCCO4)c3=S)C2)C1 ZINC000793747413 1078289368 /nfs/dbraw/zinc/28/93/68/1078289368.db2.gz QXIOVMWBTDZOSG-WIYYLYMNSA-N 1 0 420.627 2.568 20 0 HFADRO C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000793803221 1078303297 /nfs/dbraw/zinc/30/32/97/1078303297.db2.gz WXXDHIYALYYVTG-OAHLLOKOSA-N 1 0 419.472 2.569 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000793808996 1078306494 /nfs/dbraw/zinc/30/64/94/1078306494.db2.gz DFDPCDMVIVAVCS-GREBRCKQSA-N 1 0 403.567 2.504 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000793806696 1078305968 /nfs/dbraw/zinc/30/59/68/1078305968.db2.gz VCTUJNBRYCDMTI-GOEBONIOSA-N 1 0 423.439 2.677 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000793796097 1078300475 /nfs/dbraw/zinc/30/04/75/1078300475.db2.gz WTAJUGKWBHVSRA-MOPGFXCFSA-N 1 0 424.545 2.615 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793777065 1078308693 /nfs/dbraw/zinc/30/86/93/1078308693.db2.gz DCYGHTVEDOXQSB-PZJWPPBQSA-N 1 0 409.530 2.611 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)c1ccco1 ZINC000793843349 1078312321 /nfs/dbraw/zinc/31/23/21/1078312321.db2.gz JZVAOXQDUDJPAG-ZWKOTPCHSA-N 1 0 403.910 2.716 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccco1 ZINC000793843341 1078312335 /nfs/dbraw/zinc/31/23/35/1078312335.db2.gz JZVAOXQDUDJPAG-QZTJIDSGSA-N 1 0 403.910 2.716 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793845336 1078312661 /nfs/dbraw/zinc/31/26/61/1078312661.db2.gz ZDVSZBJASMGDJS-SFHVURJKSA-N 1 0 414.937 2.722 20 0 HFADRO CN(CCCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000793845004 1078312968 /nfs/dbraw/zinc/31/29/68/1078312968.db2.gz OYCMPASUNMZZGI-UHFFFAOYSA-N 1 0 414.594 2.933 20 0 HFADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)([NH+](C)C)C1 ZINC000793812322 1078314782 /nfs/dbraw/zinc/31/47/82/1078314782.db2.gz LCVQURWFVIVOCN-ZZZCNCEVSA-N 1 0 415.578 2.560 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)CCC2 ZINC000793815117 1078315834 /nfs/dbraw/zinc/31/58/34/1078315834.db2.gz VVXDTMLVTCGSNY-RADWXHQJSA-N 1 0 403.571 2.584 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)c2ccc(C)s2)c1 ZINC000793869424 1078328804 /nfs/dbraw/zinc/32/88/04/1078328804.db2.gz UPBLKZJAWKQLFE-MRXNPFEDSA-N 1 0 403.548 2.833 20 0 HFADRO NC(CCN1CC[NH+](Cc2ccccc2)CC1)=NOCc1cc(Br)no1 ZINC000793834119 1078321364 /nfs/dbraw/zinc/32/13/64/1078321364.db2.gz DBNABCWIELGGRK-UHFFFAOYSA-N 1 0 422.327 2.643 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000793908453 1078334525 /nfs/dbraw/zinc/33/45/25/1078334525.db2.gz IECLCTWABQQLHO-WIYYLYMNSA-N 1 0 415.578 2.585 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000793948768 1078344608 /nfs/dbraw/zinc/34/46/08/1078344608.db2.gz LAHUWWWQCSIRFD-WOJBJXKFSA-N 1 0 407.599 2.526 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000793960252 1078347896 /nfs/dbraw/zinc/34/78/96/1078347896.db2.gz SSYBYSXJIPWBGI-AYWYSENESA-N 1 0 421.626 2.839 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793944293 1078353780 /nfs/dbraw/zinc/35/37/80/1078353780.db2.gz WMDLENGOZRAZRB-BGYRXZFFSA-N 1 0 412.534 2.769 20 0 HFADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000793944867 1078354430 /nfs/dbraw/zinc/35/44/30/1078354430.db2.gz FANTVEXBWSOYGH-QUCCMNQESA-N 1 0 409.615 2.914 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001170442897 1078372530 /nfs/dbraw/zinc/37/25/30/1078372530.db2.gz MTLYOOXFDSGERV-IBGZPJMESA-N 1 0 411.550 2.872 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001170443038 1078372883 /nfs/dbraw/zinc/37/28/83/1078372883.db2.gz NAUYZZRIZHYFJF-XQBPLPMBSA-N 1 0 410.518 2.754 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(C[C@@H]1OC[C@@H]2C[NH2+]CC[C@H]12)c1ncccn1 ZINC001170444677 1078391129 /nfs/dbraw/zinc/39/11/29/1078391129.db2.gz UDBQMFLPOQCXPL-OZIGNCPNSA-N 1 0 410.518 2.658 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001170444950 1078396779 /nfs/dbraw/zinc/39/67/79/1078396779.db2.gz VZFXTAGIYNMGLM-IBGZPJMESA-N 1 0 401.551 2.755 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc2ncc(I)n2c1 ZINC000794210544 1078393846 /nfs/dbraw/zinc/39/38/46/1078393846.db2.gz NTGUJNSFHCOBGL-UHFFFAOYSA-N 1 0 424.286 2.686 20 0 HFADRO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccc(Br)n2)CC1 ZINC000794275625 1078398720 /nfs/dbraw/zinc/39/87/20/1078398720.db2.gz PUWHMWKQQLKHHZ-UHFFFAOYSA-N 1 0 411.388 2.904 20 0 HFADRO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000794293326 1078402888 /nfs/dbraw/zinc/40/28/88/1078402888.db2.gz MKULXOVWVYDHJU-QZTJIDSGSA-N 1 0 417.554 2.637 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)N(CCO)Cc3cccnc3Cl)cc2)CC1 ZINC000794324764 1078414309 /nfs/dbraw/zinc/41/43/09/1078414309.db2.gz CESNBZQWSIXJQI-UHFFFAOYSA-N 1 0 402.926 2.512 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2C(C)=O)C1 ZINC001170445605 1078415390 /nfs/dbraw/zinc/41/53/90/1078415390.db2.gz XMBFZEOVIMXTJJ-CZYKHXBRSA-N 1 0 424.545 2.944 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000794405487 1078427699 /nfs/dbraw/zinc/42/76/99/1078427699.db2.gz XNFJDJJJBXJQFV-GOSISDBHSA-N 1 0 406.527 2.548 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000794338496 1078419511 /nfs/dbraw/zinc/41/95/11/1078419511.db2.gz GWWMDVVCKKLSCT-UHFFFAOYSA-N 1 0 416.478 2.670 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccc(OC)cc3F)cc2)CC1 ZINC000804380879 1078440079 /nfs/dbraw/zinc/44/00/79/1078440079.db2.gz JRVRWPYSPPWHJI-UHFFFAOYSA-N 1 0 415.465 2.772 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000794391956 1078434288 /nfs/dbraw/zinc/43/42/88/1078434288.db2.gz DNXPPULWZONCST-IXDOHACOSA-N 1 0 413.559 2.736 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000804374867 1078439301 /nfs/dbraw/zinc/43/93/01/1078439301.db2.gz HHNKYFKGXBSQFT-CRAIPNDOSA-N 1 0 404.530 2.518 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000804382209 1078440873 /nfs/dbraw/zinc/44/08/73/1078440873.db2.gz YPIXDIXHEOYWFA-HNNXBMFYSA-N 1 0 403.552 2.575 20 0 HFADRO CSC1(CNC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001129413951 1078446262 /nfs/dbraw/zinc/44/62/62/1078446262.db2.gz YGRSDORLOWWIOL-CABCVRRESA-N 1 0 403.564 2.525 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000804395998 1078452411 /nfs/dbraw/zinc/45/24/11/1078452411.db2.gz YWPLDDFEAALKEQ-YZJPHSQXSA-N 1 0 400.441 2.660 20 0 HFADRO CCN1CC[NH+](CCCCNC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000804375717 1078453068 /nfs/dbraw/zinc/45/30/68/1078453068.db2.gz ZFXOGNDFIWKAKL-SJLPKXTDSA-N 1 0 404.530 2.568 20 0 HFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000804377829 1078454330 /nfs/dbraw/zinc/45/43/30/1078454330.db2.gz QJTOTCXHKKYXSU-UHFFFAOYSA-N 1 0 407.383 2.514 20 0 HFADRO CC[N@@H+]1CCN(C(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)[C@H](C)C1 ZINC000804379260 1078454745 /nfs/dbraw/zinc/45/47/45/1078454745.db2.gz ITKXSNGDEFMLKU-PXAZEXFGSA-N 1 0 401.454 2.989 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000804400191 1078463579 /nfs/dbraw/zinc/46/35/79/1078463579.db2.gz DZXPADBZNUPIFT-GOSISDBHSA-N 1 0 424.488 2.717 20 0 HFADRO COC(=O)c1cnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1C(F)(F)F ZINC000804399791 1078463861 /nfs/dbraw/zinc/46/38/61/1078463861.db2.gz GKZIOBPAELDQES-GJZGRUSLSA-N 1 0 414.472 2.882 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)[NH+]2CCCC2)cc1 ZINC000747188314 1078468622 /nfs/dbraw/zinc/46/86/22/1078468622.db2.gz HDZRBDKOILERIW-NQIIRXRSSA-N 1 0 419.529 2.587 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000804429007 1078474549 /nfs/dbraw/zinc/47/45/49/1078474549.db2.gz ATXCNDLAOZDHOA-RHSMWYFYSA-N 1 0 423.989 2.763 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000804441127 1078505193 /nfs/dbraw/zinc/50/51/93/1078505193.db2.gz CDYYVKREBCSCIY-YQQQUEKLSA-N 1 0 421.582 2.783 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC001129808473 1078506053 /nfs/dbraw/zinc/50/60/53/1078506053.db2.gz VWOIROVLQQOYLT-UHFFFAOYSA-N 1 0 421.607 2.549 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000804442696 1078509215 /nfs/dbraw/zinc/50/92/15/1078509215.db2.gz JVSBIVOFSWSLRS-UHFFFAOYSA-N 1 0 405.543 2.651 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(C)coc1CC(=O)OC ZINC001129812665 1078510520 /nfs/dbraw/zinc/51/05/20/1078510520.db2.gz JUQGUWZQQQMQRX-UYAOXDASSA-N 1 0 414.502 2.570 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)COc1ccc(F)c(F)c1 ZINC001129812929 1078511010 /nfs/dbraw/zinc/51/10/10/1078511010.db2.gz MVLGBIJMZLSIDZ-DYESRHJHSA-N 1 0 404.457 2.997 20 0 HFADRO O=C(c1ccc(Cn2cccn2)o1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446408 1078511088 /nfs/dbraw/zinc/51/10/88/1078511088.db2.gz FXTNSLNPWOWXJH-OAQYLSRUSA-N 1 0 419.529 2.557 20 0 HFADRO O=C(c1cc(=O)c2ccccc2o1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446390 1078511104 /nfs/dbraw/zinc/51/11/04/1078511104.db2.gz FNTLWHQNTVXRNC-FQEVSTJZSA-N 1 0 417.509 2.825 20 0 HFADRO O=C(c1cc(=O)c2ccccc2o1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446391 1078511140 /nfs/dbraw/zinc/51/11/40/1078511140.db2.gz FNTLWHQNTVXRNC-HXUWFJFHSA-N 1 0 417.509 2.825 20 0 HFADRO Cc1nc(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c2ccccn12 ZINC000804446790 1078513150 /nfs/dbraw/zinc/51/31/50/1078513150.db2.gz NUINJLFCUYBYBS-NRFANRHFSA-N 1 0 403.530 2.675 20 0 HFADRO COc1ccc(/C=C\C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1O ZINC000804448899 1078516398 /nfs/dbraw/zinc/51/63/98/1078516398.db2.gz RDJYZLRYJBEIDN-ZVXDMYHRSA-N 1 0 421.541 2.833 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 ZINC001129802050 1078526639 /nfs/dbraw/zinc/52/66/39/1078526639.db2.gz XLALBZUUIKTHSM-WOJBJXKFSA-N 1 0 401.551 2.635 20 0 HFADRO C[N@H+](CCCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC001129515816 1078528190 /nfs/dbraw/zinc/52/81/90/1078528190.db2.gz WYAJVCFLOZNEAE-AWEZNQCLSA-N 1 0 420.000 2.545 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170462584 1078528987 /nfs/dbraw/zinc/52/89/87/1078528987.db2.gz DNCYMAATLBVKLT-NNZMDNLPSA-N 1 0 417.616 2.957 20 0 HFADRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1 ZINC001170451947 1078533352 /nfs/dbraw/zinc/53/33/52/1078533352.db2.gz OSZCXYFHBFTUAX-SFHVURJKSA-N 1 0 400.519 2.916 20 0 HFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000804696016 1078538089 /nfs/dbraw/zinc/53/80/89/1078538089.db2.gz BLVNNYUTFRLGDE-QRWLVFNGSA-N 1 0 409.534 2.524 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000804695790 1078538098 /nfs/dbraw/zinc/53/80/98/1078538098.db2.gz SWGSXOQJHULNQT-OAHLLOKOSA-N 1 0 402.926 2.939 20 0 HFADRO C[NH+]1C(C)(C)CC(Nc2cc(Oc3ccc(S(N)(=O)=O)cc3)ncn2)CC1(C)C ZINC001170453514 1078548990 /nfs/dbraw/zinc/54/89/90/1078548990.db2.gz LHJIGYGPKHYTHW-UHFFFAOYSA-N 1 0 419.551 2.980 20 0 HFADRO CCC(=O)c1ccc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804517298 1078557941 /nfs/dbraw/zinc/55/79/41/1078557941.db2.gz RTHMXHVJSBZXNL-SFHVURJKSA-N 1 0 401.532 2.637 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001170455024 1078570181 /nfs/dbraw/zinc/57/01/81/1078570181.db2.gz FZGPBYCULVOUMC-JOCHJYFZSA-N 1 0 423.557 2.713 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000804532697 1078570359 /nfs/dbraw/zinc/57/03/59/1078570359.db2.gz GYNIYJGYMSPDMF-UHFFFAOYSA-N 1 0 421.950 2.547 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1c1cc(N2CCCC[C@@H]2CO)ncn1)C(=O)OC(C)(C)C ZINC000804704104 1078570451 /nfs/dbraw/zinc/57/04/51/1078570451.db2.gz DATDGXYDKUCXIP-BBWFWOEESA-N 1 0 423.533 2.612 20 0 HFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804532772 1078570826 /nfs/dbraw/zinc/57/08/26/1078570826.db2.gz JUXCZGPLXDNZFD-UHFFFAOYSA-N 1 0 417.550 2.745 20 0 HFADRO COCCCN(C(=O)[C@@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001129600364 1078574206 /nfs/dbraw/zinc/57/42/06/1078574206.db2.gz LWMPCEOFJMOHRC-WMZOPIPTSA-N 1 0 415.550 2.541 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001129906076 1078578379 /nfs/dbraw/zinc/57/83/79/1078578379.db2.gz WABODPORWRTOPR-QZTJIDSGSA-N 1 0 407.580 2.724 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000804553002 1078579260 /nfs/dbraw/zinc/57/92/60/1078579260.db2.gz XUJHIHLOOWGKFI-WMHRWZGDSA-N 1 0 400.441 2.946 20 0 HFADRO C[N@H+](CCCCNC(=O)CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC001129628085 1078601459 /nfs/dbraw/zinc/60/14/59/1078601459.db2.gz FOGHXMIYHLLCDE-UHFFFAOYSA-N 1 0 417.369 2.604 20 0 HFADRO COC[C@]1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000804794060 1078627886 /nfs/dbraw/zinc/62/78/86/1078627886.db2.gz JYAXITLPLSFPNT-JOCHJYFZSA-N 1 0 405.539 2.894 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)C1 ZINC001129679488 1078643426 /nfs/dbraw/zinc/64/34/26/1078643426.db2.gz OCXGWOQKAMTZFX-MRXNPFEDSA-N 1 0 413.609 2.723 20 0 HFADRO CN(C(=O)CCn1c2ccccc2n(C)c1=O)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129679584 1078643771 /nfs/dbraw/zinc/64/37/71/1078643771.db2.gz PLIXVKSRVCUAHJ-UHFFFAOYSA-N 1 0 412.456 2.605 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000804607468 1078652358 /nfs/dbraw/zinc/65/23/58/1078652358.db2.gz XZXABSMFHRGFEA-UHFFFAOYSA-N 1 0 411.502 2.999 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000804845886 1078652808 /nfs/dbraw/zinc/65/28/08/1078652808.db2.gz QYLWMEBXGIAKST-GJYPPUQNSA-N 1 0 420.554 2.786 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000804845889 1078653294 /nfs/dbraw/zinc/65/32/94/1078653294.db2.gz QYLWMEBXGIAKST-MDZRGWNJSA-N 1 0 420.554 2.786 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000804829980 1078671318 /nfs/dbraw/zinc/67/13/18/1078671318.db2.gz LXARBXAKNWZGHO-UHFFFAOYSA-N 1 0 422.573 2.882 20 0 HFADRO CC[C@H]1C[C@H](CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCO1 ZINC001129742864 1078715694 /nfs/dbraw/zinc/71/56/94/1078715694.db2.gz VXBLXBOTZASVGB-CTNGQTDRSA-N 1 0 401.551 2.595 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000804635433 1078716204 /nfs/dbraw/zinc/71/62/04/1078716204.db2.gz LOYUOZPIVZHFKM-RTWAWAEBSA-N 1 0 415.534 2.792 20 0 HFADRO CC(C)[NH2+]C1(CO)CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC001170470142 1078735626 /nfs/dbraw/zinc/73/56/26/1078735626.db2.gz WYZSDLAYRVRVDN-KRWDZBQOSA-N 1 0 400.350 2.924 20 0 HFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747224029 1078735709 /nfs/dbraw/zinc/73/57/09/1078735709.db2.gz ODGAFLTUDGKBOA-INIZCTEOSA-N 1 0 406.621 2.778 20 0 HFADRO C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000804914254 1078736586 /nfs/dbraw/zinc/73/65/86/1078736586.db2.gz ZYUHEXARZWKMAA-QRJUGERDSA-N 1 0 406.493 2.736 20 0 HFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000804914251 1078736621 /nfs/dbraw/zinc/73/66/21/1078736621.db2.gz ZYUHEXARZWKMAA-QMHWVQJVSA-N 1 0 406.493 2.736 20 0 HFADRO C[C@@H]1C[NH+](CCCNC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000804900963 1078757148 /nfs/dbraw/zinc/75/71/48/1078757148.db2.gz AXGYCGYNZCQLQX-CPUCHLNUSA-N 1 0 403.445 2.537 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000804926680 1078782749 /nfs/dbraw/zinc/78/27/49/1078782749.db2.gz NKSMDZFWIYYMFT-VQTJNVASSA-N 1 0 402.539 2.809 20 0 HFADRO O=C(Cn1nc2n(c1=O)CCCC2)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001130032054 1078808071 /nfs/dbraw/zinc/80/80/71/1078808071.db2.gz NMKXBBMPFXCXOJ-UHFFFAOYSA-N 1 0 415.563 2.598 20 0 HFADRO CC[C@H]1CC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170473150 1078816261 /nfs/dbraw/zinc/81/62/61/1078816261.db2.gz DIAUWNDMJGLSAD-OTRWWLKZSA-N 1 0 413.559 2.599 20 0 HFADRO COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000805107384 1078892530 /nfs/dbraw/zinc/89/25/30/1078892530.db2.gz SAVQTPHMXNVILZ-UHFFFAOYSA-N 1 0 417.959 2.797 20 0 HFADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1Br ZINC000805110846 1078895148 /nfs/dbraw/zinc/89/51/48/1078895148.db2.gz LESNBEKLQGWOKT-PXAZEXFGSA-N 1 0 415.353 2.899 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805110754 1078895195 /nfs/dbraw/zinc/89/51/95/1078895195.db2.gz HAIFSCCMUJSNQL-SMDDNHRTSA-N 1 0 421.332 2.844 20 0 HFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805110637 1078895643 /nfs/dbraw/zinc/89/56/43/1078895643.db2.gz BYSQDXSWRGLIHL-VGWMRTNUSA-N 1 0 406.493 2.738 20 0 HFADRO COC1(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074812 1078906601 /nfs/dbraw/zinc/90/66/01/1078906601.db2.gz QBBZJFKOIDQMKR-GQLBNEHISA-N 1 0 401.551 2.892 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000805132918 1078930547 /nfs/dbraw/zinc/93/05/47/1078930547.db2.gz VFQHHVAADQAELH-AUSIDOKSSA-N 1 0 415.578 2.951 20 0 HFADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747230362 1078949043 /nfs/dbraw/zinc/94/90/43/1078949043.db2.gz QCAYQHYXOWSQJP-FIXSFTCYSA-N 1 0 423.557 2.503 20 0 HFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001130097613 1078947567 /nfs/dbraw/zinc/94/75/67/1078947567.db2.gz BITVCTCGHRTUBG-QGZVFWFLSA-N 1 0 403.910 2.747 20 0 HFADRO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747232024 1078949962 /nfs/dbraw/zinc/94/99/62/1078949962.db2.gz PTXRFFLQUYTDRD-VSKRKVRLSA-N 1 0 407.514 2.527 20 0 HFADRO Cc1ccc(-n2ncc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2C(F)(F)F)cc1 ZINC000747231746 1078950714 /nfs/dbraw/zinc/95/07/14/1078950714.db2.gz NFLPGFFYSSUZPH-CVEARBPZSA-N 1 0 408.424 2.793 20 0 HFADRO CS[C@@H]1CC[C@@H](NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000805159311 1078951872 /nfs/dbraw/zinc/95/18/72/1078951872.db2.gz LKGXTUDPZLPXRH-QHAWAJNXSA-N 1 0 402.608 2.872 20 0 HFADRO CN(CCN(CC[NH+]1CCCC1)C(=O)/C=C\c1ccco1)C(=O)/C=C\c1ccco1 ZINC000805201179 1078953157 /nfs/dbraw/zinc/95/31/57/1078953157.db2.gz AEZKQKCPLQQHDO-WGEIWTTOSA-N 1 0 411.502 2.982 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000805192133 1078968196 /nfs/dbraw/zinc/96/81/96/1078968196.db2.gz YTLJWMMAPQKJIC-NEWSRXKRSA-N 1 0 409.571 2.518 20 0 HFADRO CN(CCc1ccccc1F)C(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805196049 1078969941 /nfs/dbraw/zinc/96/99/41/1078969941.db2.gz KQLCCPAWTRVANU-DEOSSOPVSA-N 1 0 411.521 2.998 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000805199136 1078971306 /nfs/dbraw/zinc/97/13/06/1078971306.db2.gz XFCMIQAHEPYOON-JOCHJYFZSA-N 1 0 414.937 2.831 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236403 1078994167 /nfs/dbraw/zinc/99/41/67/1078994167.db2.gz MJOWJKAVDVWMLB-MOPGFXCFSA-N 1 0 406.486 2.506 20 0 HFADRO CCCCCCn1nc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2c1=O ZINC000747236307 1078994647 /nfs/dbraw/zinc/99/46/47/1078994647.db2.gz LIUDQTLXFLOLJS-MSOLQXFVSA-N 1 0 412.534 2.570 20 0 HFADRO CC[C@H]1CC([NH2+]CCN2CCCS2(=O)=O)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170479793 1079019489 /nfs/dbraw/zinc/01/94/89/1079019489.db2.gz SRAJHEUQSBNXPN-IRXDYDNUSA-N 1 0 403.589 2.568 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000805331253 1079021736 /nfs/dbraw/zinc/02/17/36/1079021736.db2.gz IPVCCXGGPIAWIA-XJKSGUPXSA-N 1 0 405.955 2.972 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000805335511 1079024346 /nfs/dbraw/zinc/02/43/46/1079024346.db2.gz ORVLPMCCHKVXFC-JSGCOSHPSA-N 1 0 424.286 2.638 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)c1 ZINC000805312786 1079032933 /nfs/dbraw/zinc/03/29/33/1079032933.db2.gz XALPULSBHHLWCT-NRFANRHFSA-N 1 0 424.501 2.720 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1F ZINC000805311028 1079031829 /nfs/dbraw/zinc/03/18/29/1079031829.db2.gz RWBOBVDTASDUQG-OAHLLOKOSA-N 1 0 403.473 2.905 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F ZINC000805423960 1079057163 /nfs/dbraw/zinc/05/71/63/1079057163.db2.gz ZIYMJKAMZYWTNH-GJZGRUSLSA-N 1 0 419.522 2.646 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000747243927 1079085296 /nfs/dbraw/zinc/08/52/96/1079085296.db2.gz VWXYSZOLQJQAPR-JTQLQIEISA-N 1 0 407.319 2.543 20 0 HFADRO CN1C(=O)N[C@@](C)(c2ccc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C1=O ZINC001130225587 1079108680 /nfs/dbraw/zinc/10/86/80/1079108680.db2.gz BMCHQWGRULJLCA-SBUREZEXSA-N 1 0 406.486 2.544 20 0 HFADRO COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000747245122 1079121231 /nfs/dbraw/zinc/12/12/31/1079121231.db2.gz DTSFFXMVSVGLKB-UHFFFAOYSA-N 1 0 424.563 2.759 20 0 HFADRO C[C@@H](NS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1)c1ccccc1 ZINC001130259742 1079149216 /nfs/dbraw/zinc/14/92/16/1079149216.db2.gz LBNHVWRTBYQQIV-HLIPFELVSA-N 1 0 415.559 2.796 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)C1 ZINC000805636739 1079190170 /nfs/dbraw/zinc/19/01/70/1079190170.db2.gz BGMGXITUNRRXDC-HKUYNNGSSA-N 1 0 417.598 2.974 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000805636714 1079190201 /nfs/dbraw/zinc/19/02/01/1079190201.db2.gz AEZUNRZWDHTDEM-GOSISDBHSA-N 1 0 411.550 2.505 20 0 HFADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001130302053 1079194227 /nfs/dbraw/zinc/19/42/27/1079194227.db2.gz VVANAWNHQFODQA-NHCUHLMSSA-N 1 0 419.591 2.537 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3nc(Cl)cc4c3ncn4C)cc2)CC1 ZINC001170486789 1079216280 /nfs/dbraw/zinc/21/62/80/1079216280.db2.gz PGZYPPPUIJJPQG-WLYUNCDWSA-N 1 0 412.925 2.993 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805762778 1079265110 /nfs/dbraw/zinc/26/51/10/1079265110.db2.gz UFBHFPGYPAOSFG-OAHLLOKOSA-N 1 0 424.929 2.710 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000805762212 1079264059 /nfs/dbraw/zinc/26/40/59/1079264059.db2.gz FOPGYKCRWWPVLJ-MOPGFXCFSA-N 1 0 402.539 2.957 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805832174 1079272405 /nfs/dbraw/zinc/27/24/05/1079272405.db2.gz AAUHHKVQNMRRNX-FQEVSTJZSA-N 1 0 402.539 2.628 20 0 HFADRO C[C@@]1(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001130393709 1079273892 /nfs/dbraw/zinc/27/38/92/1079273892.db2.gz VHBBPWSXZKUMMS-HSZRJFAPSA-N 1 0 406.461 2.766 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805763877 1079265502 /nfs/dbraw/zinc/26/55/02/1079265502.db2.gz YAGCLSKOLDISCD-QGZVFWFLSA-N 1 0 400.516 2.932 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000805767122 1079269535 /nfs/dbraw/zinc/26/95/35/1079269535.db2.gz DSROIYNWFNSJTI-GHTZIAJQSA-N 1 0 424.545 2.731 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cnc(OC(F)(F)F)cn3)cc2)CC1 ZINC001170489309 1079290059 /nfs/dbraw/zinc/29/00/59/1079290059.db2.gz IRKRHBSLJMOCCK-IYXRBSQSSA-N 1 0 409.412 2.747 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCCC[NH+]3CCCCC3)C2)cc1 ZINC000805818580 1079290464 /nfs/dbraw/zinc/29/04/64/1079290464.db2.gz JKCHWKCDMRJRIA-NRFANRHFSA-N 1 0 414.594 2.852 20 0 HFADRO CCOC(=O)CCc1cccnc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170489718 1079295158 /nfs/dbraw/zinc/29/51/58/1079295158.db2.gz MOLUTRSHBCXJIN-PGYGNJIDSA-N 1 0 424.545 2.949 20 0 HFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000805827500 1079297623 /nfs/dbraw/zinc/29/76/23/1079297623.db2.gz KXFXCTVMFBGVOV-CABCVRRESA-N 1 0 419.291 2.538 20 0 HFADRO Cc1cc(S(=O)(=O)N(C)C(=O)C2CC[NH+](C3CC3)CC2)ccc1Br ZINC000805874759 1079315319 /nfs/dbraw/zinc/31/53/19/1079315319.db2.gz MOXVRMNBXGTTGY-UHFFFAOYSA-N 1 0 415.353 2.779 20 0 HFADRO CC[N@H+](Cc1ccc(C(=O)Oc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1)C(C)C ZINC000805876576 1079317326 /nfs/dbraw/zinc/31/73/26/1079317326.db2.gz QCPHDMCRFBCMNX-HXUWFJFHSA-N 1 0 409.486 2.887 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)cc1Cl ZINC000747276271 1079340130 /nfs/dbraw/zinc/34/01/30/1079340130.db2.gz FGTONUNPJVAWRM-IINYFYTJSA-N 1 0 409.335 2.741 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)C(C)(C)C1 ZINC001130421265 1079340738 /nfs/dbraw/zinc/34/07/38/1079340738.db2.gz NCZVLXPYKSFEJO-JTSKRJEESA-N 1 0 409.571 2.593 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000805940795 1079343636 /nfs/dbraw/zinc/34/36/36/1079343636.db2.gz CNABHOLNDKYTDC-CVDCTZTESA-N 1 0 423.557 2.595 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000805944456 1079345921 /nfs/dbraw/zinc/34/59/21/1079345921.db2.gz VXPFZDAWSZBYSG-YFLGLAMVSA-N 1 0 423.557 2.570 20 0 HFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000747278993 1079360405 /nfs/dbraw/zinc/36/04/05/1079360405.db2.gz OBHBGTWIZJWELO-NTEUORMPSA-N 1 0 417.369 2.792 20 0 HFADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC001130458275 1079381671 /nfs/dbraw/zinc/38/16/71/1079381671.db2.gz KBRKYVWBKXSASK-SLFFLAALSA-N 1 0 421.607 2.702 20 0 HFADRO COC(=O)CC[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)O1 ZINC001130459009 1079383044 /nfs/dbraw/zinc/38/30/44/1079383044.db2.gz YJEUXMVRAQZUPE-OAGDOXAWSA-N 1 0 402.535 2.997 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(S(C)(=O)=O)c(F)c3)cc2)CC1 ZINC001170496622 1079400168 /nfs/dbraw/zinc/40/01/68/1079400168.db2.gz WYYWAVWTMRLWRE-QQFBHYJXSA-N 1 0 419.522 2.601 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)NC(=O)NC3=O)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170497635 1079410700 /nfs/dbraw/zinc/41/07/00/1079410700.db2.gz SKLNVYKYLGPQSX-MUJYYYPQSA-N 1 0 408.543 2.617 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2ccccc2SCc2cccs2)CC1=O ZINC001130497560 1079434752 /nfs/dbraw/zinc/43/47/52/1079434752.db2.gz VGPPPOVZUIFFHD-UHFFFAOYSA-N 1 0 403.573 2.886 20 0 HFADRO CCOC(=O)c1cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cnc1F ZINC001170498983 1079450732 /nfs/dbraw/zinc/45/07/32/1079450732.db2.gz BYKVZYGBZJCIDT-QQFBHYJXSA-N 1 0 414.481 2.769 20 0 HFADRO COc1ccc(OC)c(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130528786 1079465313 /nfs/dbraw/zinc/46/53/13/1079465313.db2.gz PMNKGOXQYLZSOK-GGAORHGYSA-N 1 0 410.514 2.748 20 0 HFADRO Clc1ccc2c(n1)CC[C@H]2[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000806147599 1079467545 /nfs/dbraw/zinc/46/75/45/1079467545.db2.gz YVXXXXIOMBKUFK-DOTOQJQBSA-N 1 0 414.941 2.608 20 0 HFADRO COC[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000806165247 1079475091 /nfs/dbraw/zinc/47/50/91/1079475091.db2.gz FBYMSAAZBHJRTC-QZTJIDSGSA-N 1 0 412.575 2.576 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000806182827 1079477239 /nfs/dbraw/zinc/47/72/39/1079477239.db2.gz DHPOGAYGEDFCRM-ROUUACIJSA-N 1 0 423.579 2.829 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806183925 1079477464 /nfs/dbraw/zinc/47/74/64/1079477464.db2.gz ZFQBUZOEHIWCHK-LNLFQRSKSA-N 1 0 423.579 2.685 20 0 HFADRO CN1CCN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)[C@H](Cc2ccccc2)C1 ZINC001130554642 1079496242 /nfs/dbraw/zinc/49/62/42/1079496242.db2.gz WXRAINGNMPHJBH-LJQANCHMSA-N 1 0 411.456 2.880 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000806248545 1079501717 /nfs/dbraw/zinc/50/17/17/1079501717.db2.gz FNTVPAPOTCYQAH-WMLDXEAASA-N 1 0 402.520 2.973 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)n[nH]2)C1 ZINC000787333760 1076745620 /nfs/dbraw/zinc/74/56/20/1076745620.db2.gz BEGAIKSKRNBEEU-IAGOWNOFSA-N 1 0 417.554 2.835 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000787299865 1076748302 /nfs/dbraw/zinc/74/83/02/1076748302.db2.gz KTUOYQWXYNCOEW-LFUKPOHLSA-N 1 0 405.564 2.776 20 0 HFADRO Cc1ccc(Br)nc1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000787303095 1076749964 /nfs/dbraw/zinc/74/99/64/1076749964.db2.gz JPADPQLFFHMEFP-HXUWFJFHSA-N 1 0 418.335 2.862 20 0 HFADRO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787313486 1076759048 /nfs/dbraw/zinc/75/90/48/1076759048.db2.gz ZLWZLEWABJBILU-UXHICEINSA-N 1 0 421.900 2.579 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787315819 1076759809 /nfs/dbraw/zinc/75/98/09/1076759809.db2.gz XGWUEIOXOZZUCC-TWEIKEKHSA-N 1 0 401.551 2.712 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326649 1076769267 /nfs/dbraw/zinc/76/92/67/1076769267.db2.gz QBTUGEYEIIGQKP-QZTJIDSGSA-N 1 0 424.586 2.671 20 0 HFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787388775 1076804947 /nfs/dbraw/zinc/80/49/47/1076804947.db2.gz ZBMOKNBBCHGPTP-IIDMSEBBSA-N 1 0 405.543 2.546 20 0 HFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787396236 1076807024 /nfs/dbraw/zinc/80/70/24/1076807024.db2.gz YAGYDGQOAZYVGU-IAGOWNOFSA-N 1 0 419.570 2.938 20 0 HFADRO COCc1ccccc1CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787506004 1076828898 /nfs/dbraw/zinc/82/88/98/1076828898.db2.gz RLMMFYOATBLPHZ-UHFFFAOYSA-N 1 0 401.551 2.610 20 0 HFADRO O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000787522787 1076846569 /nfs/dbraw/zinc/84/65/69/1076846569.db2.gz BYQLPICADVEMAH-UHFFFAOYSA-N 1 0 405.498 2.832 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+]2CCC1CC2 ZINC000787527568 1076848698 /nfs/dbraw/zinc/84/86/98/1076848698.db2.gz YKCDWFXWUYPYOX-FQEVSTJZSA-N 1 0 412.534 2.910 20 0 HFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000787541862 1076854656 /nfs/dbraw/zinc/85/46/56/1076854656.db2.gz MHNCNAYDIISCSX-SIKLNZKXSA-N 1 0 410.514 2.598 20 0 HFADRO Cc1cnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c(Br)c1 ZINC001170075281 1076870524 /nfs/dbraw/zinc/87/05/24/1076870524.db2.gz XQYOPGAIDPYFAN-UHFFFAOYSA-N 1 0 421.320 2.855 20 0 HFADRO CC[C@H](CNC(=O)C(=O)N(C)CCc1ccccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000787631218 1076883920 /nfs/dbraw/zinc/88/39/20/1076883920.db2.gz IYGITOZJORTJMD-OAQYLSRUSA-N 1 0 411.521 2.780 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)C[C@H]2C1 ZINC000787633408 1076884866 /nfs/dbraw/zinc/88/48/66/1076884866.db2.gz JGTFOFSFRMJPPF-CQVXSESNSA-N 1 0 401.938 2.754 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)CCC2 ZINC000787642398 1076893385 /nfs/dbraw/zinc/89/33/85/1076893385.db2.gz WOERHEIMJSTTRL-IRXDYDNUSA-N 1 0 404.511 2.503 20 0 HFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787659724 1076902362 /nfs/dbraw/zinc/90/23/62/1076902362.db2.gz XPDRZTPSQUOISM-GOSISDBHSA-N 1 0 407.873 2.637 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787670308 1076905487 /nfs/dbraw/zinc/90/54/87/1076905487.db2.gz JCEDOTZIVSYTBC-KRWDZBQOSA-N 1 0 409.571 2.735 20 0 HFADRO [NH3+]C1CCN(c2cncc(N[C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)n2)CC1 ZINC001170076463 1076910065 /nfs/dbraw/zinc/91/00/65/1076910065.db2.gz GDUIGINZUVFWGU-NRFANRHFSA-N 1 0 422.577 2.876 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)C1CCCCC1 ZINC000787686783 1076911838 /nfs/dbraw/zinc/91/18/38/1076911838.db2.gz GOXLABJCPVUPCI-OALUTQOASA-N 1 0 421.607 2.933 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000787703317 1076918530 /nfs/dbraw/zinc/91/85/30/1076918530.db2.gz AYAAZIQHMHBAJT-SFTDATJTSA-N 1 0 414.594 2.518 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCc2ccc(NC(C)=O)cc2)CCN1C(=O)OC(C)(C)C ZINC000787751114 1076926256 /nfs/dbraw/zinc/92/62/56/1076926256.db2.gz JTZHNRSOZCOTNB-OALUTQOASA-N 1 0 419.522 2.718 20 0 HFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000787753396 1076927406 /nfs/dbraw/zinc/92/74/06/1076927406.db2.gz YLMPEWKVXXLYJI-UONOGXRCSA-N 1 0 401.429 2.753 20 0 HFADRO CC(C)(C)OC(=O)N1CC([NH2+][C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000787754320 1076928027 /nfs/dbraw/zinc/92/80/27/1076928027.db2.gz LMOCPRAJEOBTSU-SJORKVTESA-N 1 0 411.543 2.610 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000787755557 1076928724 /nfs/dbraw/zinc/92/87/24/1076928724.db2.gz RHXPFFCHVWXRQB-AYHJJNSGSA-N 1 0 409.571 2.639 20 0 HFADRO Cn1cc(C[NH2+][C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C(F)(F)F)n1 ZINC000787761336 1076929907 /nfs/dbraw/zinc/92/99/07/1076929907.db2.gz JQYQLWZLKKOBKS-LSDHHAIUSA-N 1 0 418.460 2.943 20 0 HFADRO CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787729510 1076932881 /nfs/dbraw/zinc/93/28/81/1076932881.db2.gz INMOTJJYPWOOLW-IERDGZPVSA-N 1 0 413.559 2.736 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCC(OC[C@@H]3CCCCO3)CC2)C1 ZINC000787728858 1076933184 /nfs/dbraw/zinc/93/31/84/1076933184.db2.gz CXKAKDIKPSMVAZ-JQVVWYNYSA-N 1 0 412.571 2.797 20 0 HFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787742150 1076937987 /nfs/dbraw/zinc/93/79/87/1076937987.db2.gz ZJTWEXIYTSGCKI-FCHUYYIVSA-N 1 0 421.545 2.622 20 0 HFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000787773338 1076942551 /nfs/dbraw/zinc/94/25/51/1076942551.db2.gz FTYWTTHOVPQDGS-FQEVSTJZSA-N 1 0 417.616 2.673 20 0 HFADRO CC1(C(=O)OCC(=O)NC(=O)NC2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000772708074 1076956137 /nfs/dbraw/zinc/95/61/37/1076956137.db2.gz BUCORCNOKBUGLP-UHFFFAOYSA-N 1 0 401.507 2.600 20 0 HFADRO COc1cc([C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)ccc1OC(C)C ZINC000787869295 1076966553 /nfs/dbraw/zinc/96/65/53/1076966553.db2.gz BAQARPIWJKNDDH-DLBZAZTESA-N 1 0 405.539 2.650 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000787893423 1076980860 /nfs/dbraw/zinc/98/08/60/1076980860.db2.gz FFCNCDKRHFMBAN-MOPGFXCFSA-N 1 0 421.607 2.791 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000787893410 1076980890 /nfs/dbraw/zinc/98/08/90/1076980890.db2.gz FAOYTQIYGWEWFV-JOCHJYFZSA-N 1 0 415.578 2.587 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000787893146 1076981115 /nfs/dbraw/zinc/98/11/15/1076981115.db2.gz CGRXCXNHBRRDTM-NRFANRHFSA-N 1 0 403.567 2.505 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000787908002 1076990433 /nfs/dbraw/zinc/99/04/33/1076990433.db2.gz FWWIMHUNQCZVME-NRFANRHFSA-N 1 0 414.594 2.662 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000787909777 1076991811 /nfs/dbraw/zinc/99/18/11/1076991811.db2.gz JQSVPBLZVSFAHS-IYWMVGAKSA-N 1 0 419.566 2.568 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000787919773 1076997419 /nfs/dbraw/zinc/99/74/19/1076997419.db2.gz LYLXZFMVNGLYDA-UHFFFAOYSA-N 1 0 405.724 2.545 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000787901301 1077004579 /nfs/dbraw/zinc/00/45/79/1077004579.db2.gz BMMGHQJRHBGLHH-QRVBRYPASA-N 1 0 421.607 2.933 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)NOCc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000746721228 1077007899 /nfs/dbraw/zinc/00/78/99/1077007899.db2.gz JTLNOCJQIFIIOZ-UHFFFAOYSA-N 1 0 414.472 2.995 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000746725223 1077023311 /nfs/dbraw/zinc/02/33/11/1077023311.db2.gz CUHYTFKTOYRAGM-GOSISDBHSA-N 1 0 420.554 2.826 20 0 HFADRO CC(C)Oc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000787980074 1077031311 /nfs/dbraw/zinc/03/13/11/1077031311.db2.gz KBDKTCNAHBHDIK-UHFFFAOYSA-N 1 0 416.566 2.646 20 0 HFADRO COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1NC(=O)OC(C)(C)C ZINC000788036545 1077035949 /nfs/dbraw/zinc/03/59/49/1077035949.db2.gz JWUXEVHLKIUTGN-GJZGRUSLSA-N 1 0 422.526 2.961 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)NCCc3ccncc3)cc2)CC1 ZINC000788135319 1077062282 /nfs/dbraw/zinc/06/22/82/1077062282.db2.gz MORTYBHHYSQSAK-IBGZPJMESA-N 1 0 424.545 2.516 20 0 HFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000788244776 1077085749 /nfs/dbraw/zinc/08/57/49/1077085749.db2.gz ITWWRGWNNIJSMF-QZTJIDSGSA-N 1 0 411.568 2.910 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000788250888 1077086708 /nfs/dbraw/zinc/08/67/08/1077086708.db2.gz XRHXZQQZCQIGOE-CGTJXYLNSA-N 1 0 422.522 2.971 20 0 HFADRO CCCNC(=O)CN1CCC([NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788250905 1077086723 /nfs/dbraw/zinc/08/67/23/1077086723.db2.gz XSAPHMSDEBJESR-RTBURBONSA-N 1 0 410.603 2.793 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000788256650 1077087842 /nfs/dbraw/zinc/08/78/42/1077087842.db2.gz VVDVDMKKSOCHLQ-FRYIKTPZSA-N 1 0 419.566 2.736 20 0 HFADRO O=C(c1cc(Br)ncc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000788298665 1077091090 /nfs/dbraw/zinc/09/10/90/1077091090.db2.gz NHVBAQQJZISXPA-UHFFFAOYSA-N 1 0 402.720 2.682 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000788284524 1077097857 /nfs/dbraw/zinc/09/78/57/1077097857.db2.gz FGXSCSLXCFWDMH-UHFFFAOYSA-N 1 0 407.946 2.616 20 0 HFADRO COC(=O)c1cc(NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c(C)cc1C ZINC000788335454 1077106143 /nfs/dbraw/zinc/10/61/43/1077106143.db2.gz CEXZEPJOYXGXCE-UHFFFAOYSA-N 1 0 415.534 2.942 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCSC(C)(C)C ZINC000788364447 1077127863 /nfs/dbraw/zinc/12/78/63/1077127863.db2.gz OABZAKUDOYCBSG-UHFFFAOYSA-N 1 0 401.523 2.503 20 0 HFADRO Cn1cc(-c2ccc(=O)n(CN3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)n2)cn1 ZINC000788367372 1077129207 /nfs/dbraw/zinc/12/92/07/1077129207.db2.gz GGQJXRYBHFAZTQ-UHFFFAOYSA-N 1 0 418.545 2.589 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000788428760 1077143509 /nfs/dbraw/zinc/14/35/09/1077143509.db2.gz GLIHQDFHHJTIRD-IPELMVKDSA-N 1 0 421.538 2.792 20 0 HFADRO COc1cccc([C@H](O)C[NH2+][C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000788430815 1077144175 /nfs/dbraw/zinc/14/41/75/1077144175.db2.gz QOOWSIXCCQIXRH-AQNXPRMDSA-N 1 0 406.523 2.733 20 0 HFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000788436210 1077145899 /nfs/dbraw/zinc/14/58/99/1077145899.db2.gz KIXSWTZYZWTJCM-QZTJIDSGSA-N 1 0 421.538 2.712 20 0 HFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000788436493 1077146144 /nfs/dbraw/zinc/14/61/44/1077146144.db2.gz MFBIMYNCTMNGOQ-IXDOHACOSA-N 1 0 409.527 2.616 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+][C@H]2CCN(c3ccccn3)C2)C2CC2)C1 ZINC000788438353 1077147357 /nfs/dbraw/zinc/14/73/57/1077147357.db2.gz UCSVUDDZXFMTRU-BJLQDIEVSA-N 1 0 402.539 2.664 20 0 HFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)c1 ZINC000788458893 1077166117 /nfs/dbraw/zinc/16/61/17/1077166117.db2.gz FUGXEDZCKHTVGX-UHFFFAOYSA-N 1 0 422.573 2.714 20 0 HFADRO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C2=O ZINC000788464551 1077168611 /nfs/dbraw/zinc/16/86/11/1077168611.db2.gz NIHSHPCQFXOBCZ-PBHGZRDXSA-N 1 0 412.534 2.519 20 0 HFADRO COc1cc2c(cc1OC)C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000788475251 1077171305 /nfs/dbraw/zinc/17/13/05/1077171305.db2.gz YUANXSHZTMWHAM-UHFFFAOYSA-N 1 0 405.539 2.615 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2)CCN1C(=O)OC(C)(C)C ZINC000788497051 1077181878 /nfs/dbraw/zinc/18/18/78/1077181878.db2.gz CVOGDJTXHKLZHQ-YJBOKZPZSA-N 1 0 408.495 2.735 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)c2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788505555 1077185588 /nfs/dbraw/zinc/18/55/88/1077185588.db2.gz HPQZLYCEYIKFGU-JKSUJKDBSA-N 1 0 410.511 2.872 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCN3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC000788507969 1077186276 /nfs/dbraw/zinc/18/62/76/1077186276.db2.gz UNCKQXXQBNTJEN-UHFFFAOYSA-N 1 0 418.557 2.937 20 0 HFADRO C[C@H]1C[NH+](CCCNC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000746747700 1077190919 /nfs/dbraw/zinc/19/09/19/1077190919.db2.gz SRDQOYQZFWIYTN-IRXDYDNUSA-N 1 0 412.575 2.527 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000788537645 1077193079 /nfs/dbraw/zinc/19/30/79/1077193079.db2.gz VXJARESPZBIVKA-UHFFFAOYSA-N 1 0 409.332 2.619 20 0 HFADRO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(Br)ccc1F ZINC000788540484 1077194260 /nfs/dbraw/zinc/19/42/60/1077194260.db2.gz RWWWMRRQMQOHIX-CYBMUJFWSA-N 1 0 408.319 2.981 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000788589373 1077213907 /nfs/dbraw/zinc/21/39/07/1077213907.db2.gz QFKAXGAJHQBVIK-STQMWFEESA-N 1 0 404.308 2.869 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)C2)C1 ZINC000788600409 1077219225 /nfs/dbraw/zinc/21/92/25/1077219225.db2.gz CLHNOUBVGWHJQI-TZIWHRDSSA-N 1 0 415.578 2.859 20 0 HFADRO C[C@@H](Oc1cccc(C=O)c1)C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746752513 1077220382 /nfs/dbraw/zinc/22/03/82/1077220382.db2.gz KCJPCQNTIRTMNI-UEXGIBASSA-N 1 0 424.497 2.589 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCn2c(C)nc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788646134 1077223723 /nfs/dbraw/zinc/22/37/23/1077223723.db2.gz QYKVUTZAUTXMGS-PKOBYXMFSA-N 1 0 416.522 2.875 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788648863 1077225052 /nfs/dbraw/zinc/22/50/52/1077225052.db2.gz NOQXKSBAPWKSBK-XHSDSOJGSA-N 1 0 410.559 2.529 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788653301 1077226763 /nfs/dbraw/zinc/22/67/63/1077226763.db2.gz FGZPFSQGBZTWBZ-UIFIKXQLSA-N 1 0 424.545 2.815 20 0 HFADRO CC(C)(CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000788619763 1077231262 /nfs/dbraw/zinc/23/12/62/1077231262.db2.gz SCZBZBJTSMEQCY-BGYRXZFFSA-N 1 0 424.545 2.959 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCC[NH+]3[C@@H](C)CCC[C@@H]3C)cc2)C[C@H](C)O1 ZINC000790925695 1077233856 /nfs/dbraw/zinc/23/38/56/1077233856.db2.gz DWMQJEUSCLBGLF-CADBVGFASA-N 1 0 416.566 2.618 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@](C)(O)c3cccs3)cc2)CC1 ZINC000790926532 1077234644 /nfs/dbraw/zinc/23/46/44/1077234644.db2.gz NFUZBBQEEBKGAR-NRFANRHFSA-N 1 0 403.548 2.928 20 0 HFADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000788627058 1077234779 /nfs/dbraw/zinc/23/47/79/1077234779.db2.gz LBWJEBYUCNXTOB-YHUYYLMFSA-N 1 0 404.573 2.692 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)=NO1 ZINC000788630493 1077237222 /nfs/dbraw/zinc/23/72/22/1077237222.db2.gz KDCHRXNHYUDOFV-SFHVURJKSA-N 1 0 416.522 2.568 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000788637381 1077240918 /nfs/dbraw/zinc/24/09/18/1077240918.db2.gz BARPZBLVXFKXPM-FQEVSTJZSA-N 1 0 403.523 2.877 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000788637382 1077240950 /nfs/dbraw/zinc/24/09/50/1077240950.db2.gz BARPZBLVXFKXPM-HXUWFJFHSA-N 1 0 403.523 2.877 20 0 HFADRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000788636990 1077241240 /nfs/dbraw/zinc/24/12/40/1077241240.db2.gz COOCVVSTGANMAH-GFCCVEGCSA-N 1 0 408.973 2.849 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788676421 1077246085 /nfs/dbraw/zinc/24/60/85/1077246085.db2.gz UCYLRUNVHDCVNP-YJBOKZPZSA-N 1 0 411.568 2.672 20 0 HFADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000790945532 1077250298 /nfs/dbraw/zinc/25/02/98/1077250298.db2.gz GNORLALJHHOVMI-OQKWZONESA-N 1 0 402.502 2.714 20 0 HFADRO CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788688851 1077251727 /nfs/dbraw/zinc/25/17/27/1077251727.db2.gz MHINKQIKHFZMRM-VXKWHMMOSA-N 1 0 408.546 2.602 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000790948311 1077251988 /nfs/dbraw/zinc/25/19/88/1077251988.db2.gz WMYFZQGDGXAEQG-NQIIRXRSSA-N 1 0 414.594 2.797 20 0 HFADRO COc1nccc2c1ncnc2N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170146455 1077257975 /nfs/dbraw/zinc/25/79/75/1077257975.db2.gz NHSWJKGCKMBKFI-UHFFFAOYSA-N 1 0 414.473 2.943 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000790967871 1077258027 /nfs/dbraw/zinc/25/80/27/1077258027.db2.gz KOQZUSJPVGHEMD-GFCCVEGCSA-N 1 0 417.735 2.673 20 0 HFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788666401 1077259860 /nfs/dbraw/zinc/25/98/60/1077259860.db2.gz ZIAFWDZVFRQKTG-ANULTFPQSA-N 1 0 422.529 2.664 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3nc(C)cc(C)c3C(N)=O)nc3ccc(C)cc3n12 ZINC001170147176 1077264377 /nfs/dbraw/zinc/26/43/77/1077264377.db2.gz VCDFXJGBTNGIQA-UHFFFAOYSA-N 1 0 403.490 2.707 20 0 HFADRO CN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788702798 1077264444 /nfs/dbraw/zinc/26/44/44/1077264444.db2.gz AHCOYTMRXIEHGC-JOCHJYFZSA-N 1 0 424.545 2.570 20 0 HFADRO CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788712949 1077268479 /nfs/dbraw/zinc/26/84/79/1077268479.db2.gz NUHXQWKQNGUWEB-RTBURBONSA-N 1 0 400.548 2.793 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790976234 1077268782 /nfs/dbraw/zinc/26/87/82/1077268782.db2.gz YYZJGVNQDJQGRK-GOSISDBHSA-N 1 0 403.523 2.819 20 0 HFADRO CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788713214 1077268749 /nfs/dbraw/zinc/26/87/49/1077268749.db2.gz SMMPKBRVZRYDGI-LEWJYISDSA-N 1 0 400.567 2.939 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3cccc(C(=O)N4CCOCC4)c3)C2)C1 ZINC000788752939 1077276929 /nfs/dbraw/zinc/27/69/29/1077276929.db2.gz XZZJRAQOTLWYFR-UHFFFAOYSA-N 1 0 415.534 2.648 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000746763666 1077294072 /nfs/dbraw/zinc/29/40/72/1077294072.db2.gz GQICNOYVYOJKHD-UHFFFAOYSA-N 1 0 412.490 2.901 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cccc4c3CC(=O)NC4)nc3ccc(C)cc3n12 ZINC001170148441 1077295757 /nfs/dbraw/zinc/29/57/57/1077295757.db2.gz LLLBZVRLNIMMKY-UHFFFAOYSA-N 1 0 400.486 2.768 20 0 HFADRO CC(C)Oc1cc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)ccc1C(N)=O ZINC000788771666 1077296003 /nfs/dbraw/zinc/29/60/03/1077296003.db2.gz MZGGSRTYXRJVOV-UHFFFAOYSA-N 1 0 418.538 2.539 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777740 1077298518 /nfs/dbraw/zinc/29/85/18/1077298518.db2.gz LORQLLKQQVDNQV-OWCLPIDISA-N 1 0 413.349 2.735 20 0 HFADRO CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788791765 1077305760 /nfs/dbraw/zinc/30/57/60/1077305760.db2.gz QJVWRBDJVOGOQL-OAQYLSRUSA-N 1 0 412.509 2.830 20 0 HFADRO C[C@H]([NH2+]C[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000788820280 1077308241 /nfs/dbraw/zinc/30/82/41/1077308241.db2.gz UIGQIMWLSUJVOM-DZGCQCFKSA-N 1 0 418.460 2.921 20 0 HFADRO C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788821521 1077308463 /nfs/dbraw/zinc/30/84/63/1077308463.db2.gz XNWLKNWAVPZISX-AEFFLSMTSA-N 1 0 403.523 2.511 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148096 1077308631 /nfs/dbraw/zinc/30/86/31/1077308631.db2.gz ZXUFUUHSTGQQLF-DLBZAZTESA-N 1 0 407.559 2.565 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788821524 1077308748 /nfs/dbraw/zinc/30/87/48/1077308748.db2.gz XNWLKNWAVPZISX-WMZOPIPTSA-N 1 0 403.523 2.511 20 0 HFADRO CN(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788837432 1077315531 /nfs/dbraw/zinc/31/55/31/1077315531.db2.gz MCIAZZQPYYXPEI-QFIPXVFZSA-N 1 0 421.545 2.703 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1C(=O)OC(C)(C)C ZINC000791137587 1077317446 /nfs/dbraw/zinc/31/74/46/1077317446.db2.gz RLOYRDXFWPCOHN-IEBWSBKVSA-N 1 0 418.538 2.713 20 0 HFADRO CC(C)(CNC(=O)c1cn(-c2ccccc2Br)nn1)C[NH+]1CCCC1 ZINC000791223378 1077334993 /nfs/dbraw/zinc/33/49/93/1077334993.db2.gz BWJDWUVNUUALHB-UHFFFAOYSA-N 1 0 406.328 2.882 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)c1 ZINC000791207775 1077343722 /nfs/dbraw/zinc/34/37/22/1077343722.db2.gz CSWJDNOMESICHN-UHFFFAOYSA-N 1 0 415.968 2.739 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)COc3ccc4ccc(=O)oc4c3)cc2)CC1 ZINC000791292843 1077358208 /nfs/dbraw/zinc/35/82/08/1077358208.db2.gz CDYOCFXMOJQRGE-UHFFFAOYSA-N 1 0 422.481 2.961 20 0 HFADRO CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000791297693 1077360591 /nfs/dbraw/zinc/36/05/91/1077360591.db2.gz AOTWRJGZTCOSEO-KQWNVCNZSA-N 1 0 407.514 2.953 20 0 HFADRO CC(C)(C)[S@@](=O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000788962162 1077364166 /nfs/dbraw/zinc/36/41/66/1077364166.db2.gz GUOORNDOTSKKAC-QHCPKHFHSA-N 1 0 403.386 2.923 20 0 HFADRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000788962218 1077364246 /nfs/dbraw/zinc/36/42/46/1077364246.db2.gz JBFQIPXLMBTXPV-UHFFFAOYSA-N 1 0 419.385 2.589 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc(-n4ccnc4C)nn3)nc3ccc(C)cc3n12 ZINC001170152093 1077371700 /nfs/dbraw/zinc/37/17/00/1077371700.db2.gz SRRKHPVZLSOYGU-UHFFFAOYSA-N 1 0 413.489 2.880 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000791334538 1077377509 /nfs/dbraw/zinc/37/75/09/1077377509.db2.gz BAMIBTRBBVWBNG-KTKRTIGZSA-N 1 0 421.501 2.657 20 0 HFADRO CC[C@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000746780463 1077378492 /nfs/dbraw/zinc/37/84/92/1077378492.db2.gz FOZJRXYZCVOURL-LJQANCHMSA-N 1 0 409.534 2.890 20 0 HFADRO O=C(COC(=O)c1cccnc1F)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000789006121 1077379842 /nfs/dbraw/zinc/37/98/42/1077379842.db2.gz GDGKRBIDNKBQJI-KRWDZBQOSA-N 1 0 405.857 2.984 20 0 HFADRO COC(=O)[C@H](C)C[N@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 ZINC000772728673 1077380372 /nfs/dbraw/zinc/38/03/72/1077380372.db2.gz IHPBRHPUDWVRRI-BRWVUGGUSA-N 1 0 403.523 2.512 20 0 HFADRO O=C(Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)[C@H](O)c1ccccn1 ZINC000791346655 1077381241 /nfs/dbraw/zinc/38/12/41/1077381241.db2.gz WJSQKLRQQVPMAD-HSZRJFAPSA-N 1 0 417.513 2.513 20 0 HFADRO CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789036761 1077390420 /nfs/dbraw/zinc/39/04/20/1077390420.db2.gz RJJGMUXUPUKTPJ-OAQYLSRUSA-N 1 0 410.518 2.892 20 0 HFADRO Cn1cc([C@@H]2CSCCN2C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000791393525 1077397797 /nfs/dbraw/zinc/39/77/97/1077397797.db2.gz YXVHFPZTOGQYCO-ZGBFETHSSA-N 1 0 400.548 2.690 20 0 HFADRO CCOC1CC(CC(=O)OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000789152822 1077436061 /nfs/dbraw/zinc/43/60/61/1077436061.db2.gz RPSBPLRYGJXODH-UHFFFAOYSA-N 1 0 403.523 2.515 20 0 HFADRO CCOC1CC(CC(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000789161316 1077438657 /nfs/dbraw/zinc/43/86/57/1077438657.db2.gz AYYXSVZXABOARR-OCDPCBSRSA-N 1 0 402.535 2.904 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000789175686 1077444723 /nfs/dbraw/zinc/44/47/23/1077444723.db2.gz JFIXZHVHJREAFY-UHFFFAOYSA-N 1 0 424.545 2.925 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000791522185 1077453619 /nfs/dbraw/zinc/45/36/19/1077453619.db2.gz NTLJRYFQWOWILS-NRFANRHFSA-N 1 0 413.474 2.776 20 0 HFADRO C[NH+]1CCN(Cc2ccc(CNC(=S)NCCc3ccc(F)cc3)cc2)CC1 ZINC000789197535 1077456827 /nfs/dbraw/zinc/45/68/27/1077456827.db2.gz VKUDSWASBKJHAP-UHFFFAOYSA-N 1 0 400.567 2.780 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000789246548 1077470952 /nfs/dbraw/zinc/47/09/52/1077470952.db2.gz UGIRJYPQYAYNQV-QZTJIDSGSA-N 1 0 418.538 2.847 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3C[C@H]([NH+](C)C)Cc4ccccc43)C2)c1 ZINC000791584053 1077472082 /nfs/dbraw/zinc/47/20/82/1077472082.db2.gz MOCXVQUQKYBDDW-ZHRRBRCNSA-N 1 0 409.486 2.716 20 0 HFADRO CN1CCC(CNC(=O)c2nc(Br)ccc2F)([NH+]2CCCCC2)CC1 ZINC000791610120 1077485179 /nfs/dbraw/zinc/48/51/79/1077485179.db2.gz CRRASUOQTLZTEM-UHFFFAOYSA-N 1 0 413.335 2.663 20 0 HFADRO C[C@@H](OC(=O)C(F)(F)C1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000791605431 1077502663 /nfs/dbraw/zinc/50/26/63/1077502663.db2.gz WQHBPCHOADKMOG-MRXNPFEDSA-N 1 0 424.488 2.761 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791641816 1077506257 /nfs/dbraw/zinc/50/62/57/1077506257.db2.gz LBDZZSJZFPLPAO-JPYJTQIMSA-N 1 0 423.513 2.930 20 0 HFADRO COc1ncccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600396 1077506603 /nfs/dbraw/zinc/50/66/03/1077506603.db2.gz QKBPUQHRXNLIEJ-UUGMPZBJSA-N 1 0 419.525 2.598 20 0 HFADRO Cc1ccncc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600453 1077506967 /nfs/dbraw/zinc/50/69/67/1077506967.db2.gz UMNXAUKKUZDNDO-RBKMHILSSA-N 1 0 403.526 2.898 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000789310542 1077509462 /nfs/dbraw/zinc/50/94/62/1077509462.db2.gz DTOWSBNUWCVELG-UHFFFAOYSA-N 1 0 417.893 2.871 20 0 HFADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2C)[NH+]2CCCC2)cc1 ZINC000789352395 1077513238 /nfs/dbraw/zinc/51/32/38/1077513238.db2.gz GEUZEWBXBMAJDZ-SFHVURJKSA-N 1 0 416.909 2.944 20 0 HFADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2C)[NH+]2CCCC2)c1 ZINC000789353395 1077513892 /nfs/dbraw/zinc/51/38/92/1077513892.db2.gz SWOSVXQNZQGHBS-GOSISDBHSA-N 1 0 416.909 2.944 20 0 HFADRO CSc1ccc(N2C[C@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)cc1 ZINC000791674758 1077524891 /nfs/dbraw/zinc/52/48/91/1077524891.db2.gz KJDVJFYEXXVDPQ-GOSISDBHSA-N 1 0 419.591 2.721 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F)C(C)C ZINC000746803860 1077529771 /nfs/dbraw/zinc/52/97/71/1077529771.db2.gz OPVYCIMMCZRKGB-UHFFFAOYSA-N 1 0 406.502 2.516 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)C2)c1 ZINC000791699349 1077532291 /nfs/dbraw/zinc/53/22/91/1077532291.db2.gz GCBGGANKEJNWSC-WCJKSRRJSA-N 1 0 415.534 2.966 20 0 HFADRO C[C@@H]1CC[C@H]([NH2+]C(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)C1 ZINC001170103299 1077532627 /nfs/dbraw/zinc/53/26/27/1077532627.db2.gz FBMCNRIZYIRZIV-CJNGLKHVSA-N 1 0 416.497 2.568 20 0 HFADRO COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)OCCC[NH+](C)C)c(O)c2)c1 ZINC000791701487 1077532707 /nfs/dbraw/zinc/53/27/07/1077532707.db2.gz GOUAFTQGNBWQEI-UHFFFAOYSA-N 1 0 402.447 2.770 20 0 HFADRO Cc1ccc(C(=O)N2CCC[C@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000791704215 1077533460 /nfs/dbraw/zinc/53/34/60/1077533460.db2.gz UHBHHDAKXQYSDJ-QFIPXVFZSA-N 1 0 415.578 2.807 20 0 HFADRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCc2ccc(OC)cc2)cc1 ZINC000789392134 1077534669 /nfs/dbraw/zinc/53/46/69/1077534669.db2.gz HSLNUAYNDALKTP-UHFFFAOYSA-O 1 0 410.523 2.675 20 0 HFADRO CC[C@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000789360947 1077537283 /nfs/dbraw/zinc/53/72/83/1077537283.db2.gz BCNJYIKYPGJLGD-QGZVFWFLSA-N 1 0 400.910 2.935 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cnn3c2nccc3-c2ccccc2)CC1 ZINC000791716809 1077537603 /nfs/dbraw/zinc/53/76/03/1077537603.db2.gz HJFHIRRWPGJHNH-UHFFFAOYSA-N 1 0 407.518 2.969 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000789361685 1077538227 /nfs/dbraw/zinc/53/82/27/1077538227.db2.gz CALLSRJZZICHTI-HNNXBMFYSA-N 1 0 400.479 2.501 20 0 HFADRO Cc1c(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)cccc1N1CCOC1=O ZINC000746804231 1077547503 /nfs/dbraw/zinc/54/75/03/1077547503.db2.gz SMZQDVXVNHISLZ-UHFFFAOYSA-N 1 0 404.511 2.515 20 0 HFADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000789381129 1077548215 /nfs/dbraw/zinc/54/82/15/1077548215.db2.gz CKZGIEAZHCVIBL-IVMMDQJWSA-N 1 0 408.720 2.626 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)NCC(F)(F)F)[n+]2ccc(C(C)(C)C)cc2)n1 ZINC000789400412 1077559204 /nfs/dbraw/zinc/55/92/04/1077559204.db2.gz BZLYUPIEGNXUHW-UHFFFAOYSA-O 1 0 400.450 2.763 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000789406184 1077562346 /nfs/dbraw/zinc/56/23/46/1077562346.db2.gz VZJGDIHAGZEGLM-UHFFFAOYSA-N 1 0 410.852 2.851 20 0 HFADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791821839 1077565052 /nfs/dbraw/zinc/56/50/52/1077565052.db2.gz FKRVWICLZVEQLZ-PIUNUONSSA-N 1 0 402.502 2.618 20 0 HFADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791829126 1077576612 /nfs/dbraw/zinc/57/66/12/1077576612.db2.gz VFMBEPPFVHMJOX-CWGWECIMSA-N 1 0 420.492 2.757 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000746813913 1077577890 /nfs/dbraw/zinc/57/78/90/1077577890.db2.gz LZBVSNPZOBYDAL-OAHLLOKOSA-N 1 0 415.506 2.899 20 0 HFADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1)[N@H+](C)Cc1ccccc1 ZINC000746813792 1077578558 /nfs/dbraw/zinc/57/85/58/1077578558.db2.gz ZKCNPKHTTMISIX-QGZVFWFLSA-N 1 0 424.501 2.609 20 0 HFADRO Cc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)nnn1-c1ccccc1Cl ZINC000791842116 1077581917 /nfs/dbraw/zinc/58/19/17/1077581917.db2.gz HUPZQHLQCFILAC-UHFFFAOYSA-N 1 0 405.930 2.802 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814715 1077582336 /nfs/dbraw/zinc/58/23/36/1077582336.db2.gz CGUISMANAIEWOP-YADHBBJMSA-N 1 0 409.530 2.904 20 0 HFADRO CCS(=O)(=O)c1ccc(Cl)c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1 ZINC000791881957 1077585140 /nfs/dbraw/zinc/58/51/40/1077585140.db2.gz BZUVJCDPFWKOEA-UHFFFAOYSA-N 1 0 416.971 2.707 20 0 HFADRO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@]3(CO)CC(C)C)CC2)c(F)c1 ZINC000789512696 1077605327 /nfs/dbraw/zinc/60/53/27/1077605327.db2.gz AZTIWIVLBLRVKP-QHCPKHFHSA-N 1 0 419.541 2.550 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000791912255 1077607633 /nfs/dbraw/zinc/60/76/33/1077607633.db2.gz NUKFHEDSPQHTPT-HSZRJFAPSA-N 1 0 401.551 2.641 20 0 HFADRO C[N@H+](C[C@@H](O)COCc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789519194 1077613396 /nfs/dbraw/zinc/61/33/96/1077613396.db2.gz XOSQMLNUHLCPHT-TZIWHRDSSA-N 1 0 402.922 2.950 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000791986380 1077623833 /nfs/dbraw/zinc/62/38/33/1077623833.db2.gz QHSIYTKNBLEGAY-VCOUNFBDSA-N 1 0 417.509 2.648 20 0 HFADRO CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)OCCC[NH+](C)C)cc1 ZINC000791966623 1077638136 /nfs/dbraw/zinc/63/81/36/1077638136.db2.gz RAZLDJGWJMNSAJ-UHFFFAOYSA-N 1 0 408.545 2.854 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)C2(OCc3ccccc3)CCOCC2)CC1 ZINC000792054235 1077659904 /nfs/dbraw/zinc/65/99/04/1077659904.db2.gz ATNMXUYBNUTVEK-UHFFFAOYSA-N 1 0 404.551 2.712 20 0 HFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792056704 1077661946 /nfs/dbraw/zinc/66/19/46/1077661946.db2.gz IVAPHRISWLEAMF-PMACEKPBSA-N 1 0 424.630 2.804 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792057279 1077663547 /nfs/dbraw/zinc/66/35/47/1077663547.db2.gz OUDRTCNDSVJNMP-IBGZPJMESA-N 1 0 410.603 2.700 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)c1 ZINC000792059142 1077665839 /nfs/dbraw/zinc/66/58/39/1077665839.db2.gz XINRGIFVCXADBY-VWKPWSFCSA-N 1 0 403.523 2.681 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCC(F)(F)c3ccccc3)cc2)CC1 ZINC000789614337 1077683688 /nfs/dbraw/zinc/68/36/88/1077683688.db2.gz OPNPEFMHQDBYRR-UHFFFAOYSA-N 1 0 416.472 2.675 20 0 HFADRO CCC[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000792048325 1077693779 /nfs/dbraw/zinc/69/37/79/1077693779.db2.gz JIPSXMLMKNSLMJ-LEWJYISDSA-N 1 0 411.550 2.535 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)C2)c1 ZINC000792049130 1077694092 /nfs/dbraw/zinc/69/40/92/1077694092.db2.gz CDMZSVNJNMYSKN-PKOBYXMFSA-N 1 0 403.504 2.677 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(F)(F)c3ccccc3)cc2)CC1 ZINC000789612958 1077708841 /nfs/dbraw/zinc/70/88/41/1077708841.db2.gz FWGXUKGZIRFYGG-UHFFFAOYSA-N 1 0 416.472 2.675 20 0 HFADRO C[NH+](C)CCc1ccc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792128466 1077715914 /nfs/dbraw/zinc/71/59/14/1077715914.db2.gz NQXLYKDSZCCLLO-UHFFFAOYSA-N 1 0 404.555 2.672 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C2)c1 ZINC000792132257 1077717686 /nfs/dbraw/zinc/71/76/86/1077717686.db2.gz KCFCMPFRCZSSAB-IERDGZPVSA-N 1 0 401.507 2.674 20 0 HFADRO O=C(NC[C@@H]1COC2(CCCC2)O1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792159339 1077726364 /nfs/dbraw/zinc/72/63/64/1077726364.db2.gz PJJDVUARTBQHIF-UYSNPLJNSA-N 1 0 405.461 2.777 20 0 HFADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000746846658 1077728285 /nfs/dbraw/zinc/72/82/85/1077728285.db2.gz DTWFTPGSOSZFBB-FOKNENJMSA-N 1 0 412.513 2.983 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000746848676 1077736908 /nfs/dbraw/zinc/73/69/08/1077736908.db2.gz RGUIXWRTDJSONQ-XHSDSOJGSA-N 1 0 411.543 2.553 20 0 HFADRO CS(=O)(=O)N(CC[NH+]1CCC([C@H](O)c2ccccc2)CC1)Cc1ccccc1 ZINC000792205642 1077745028 /nfs/dbraw/zinc/74/50/28/1077745028.db2.gz XNGMZVDWALSKPC-JOCHJYFZSA-N 1 0 402.560 2.894 20 0 HFADRO CN(Cc1cnn(-c2ccccc2)n1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792223954 1077749412 /nfs/dbraw/zinc/74/94/12/1077749412.db2.gz AVBOGVBKERBXCV-HXUWFJFHSA-N 1 0 404.518 2.931 20 0 HFADRO COc1cc(OC)cc([C@@H](O)CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000792228141 1077753335 /nfs/dbraw/zinc/75/33/35/1077753335.db2.gz SJDDDNCPMXATDP-GCJKJVERSA-N 1 0 413.518 2.559 20 0 HFADRO CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)C1 ZINC000792234827 1077757248 /nfs/dbraw/zinc/75/72/48/1077757248.db2.gz GQFJIZUBIONMRC-XLIONFOSSA-N 1 0 418.607 2.864 20 0 HFADRO C[NH+]1CCC(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)CC1 ZINC000746849619 1077757701 /nfs/dbraw/zinc/75/77/01/1077757701.db2.gz XKRQZPRBJAABCK-QHCPKHFHSA-N 1 0 423.532 2.780 20 0 HFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1nc(Br)ccc1F ZINC000792238254 1077759621 /nfs/dbraw/zinc/75/96/21/1077759621.db2.gz MVOYDFORYWMTRO-GDBMZVCRSA-N 1 0 422.298 2.596 20 0 HFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792242065 1077762122 /nfs/dbraw/zinc/76/21/22/1077762122.db2.gz NPLWSHOFLMHTNA-OAHLLOKOSA-N 1 0 422.323 2.980 20 0 HFADRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@H]4CC5(CCC5)C(=O)O4)CC3)cc2NC1=O ZINC000792247904 1077763446 /nfs/dbraw/zinc/76/34/46/1077763446.db2.gz MVUFZJMDSJIACZ-WMLDXEAASA-N 1 0 412.486 2.787 20 0 HFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1nc(Br)ccc1F ZINC000792285683 1077775529 /nfs/dbraw/zinc/77/55/29/1077775529.db2.gz OECXVFGNIROMHK-ZBFHGGJFSA-N 1 0 422.298 2.596 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(C(C)(C)O)cc3)cccc21 ZINC000789746349 1077778431 /nfs/dbraw/zinc/77/84/31/1077778431.db2.gz WMMNRYXAHOSUBC-IBGZPJMESA-N 1 0 411.502 2.554 20 0 HFADRO CCC[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255295 1077781869 /nfs/dbraw/zinc/78/18/69/1077781869.db2.gz POVQECCHIRYQRF-GUDVDZBRSA-N 1 0 404.551 2.744 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)c1 ZINC000792256125 1077782592 /nfs/dbraw/zinc/78/25/92/1077782592.db2.gz QUDLRVLZQYBYSH-LVWPNOBMSA-N 1 0 413.518 2.672 20 0 HFADRO C[C@@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1cccc(N2CCOC2=O)c1 ZINC000792277940 1077791927 /nfs/dbraw/zinc/79/19/27/1077791927.db2.gz XJCRLZUDORWYGN-QGZVFWFLSA-N 1 0 417.531 2.756 20 0 HFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1nc(Br)ccc1F ZINC000792309716 1077800536 /nfs/dbraw/zinc/80/05/36/1077800536.db2.gz RROPZCATCFBXCQ-OAHLLOKOSA-N 1 0 422.298 2.870 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)N2CCSC(C)(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000789796966 1077802858 /nfs/dbraw/zinc/80/28/58/1077802858.db2.gz OBQURQLATQNTEF-UHFFFAOYSA-N 1 0 418.607 2.900 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000789809305 1077819884 /nfs/dbraw/zinc/81/98/84/1077819884.db2.gz PPMWANOZQFZIGV-LEWJYISDSA-N 1 0 410.493 2.578 20 0 HFADRO CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000772794367 1077820568 /nfs/dbraw/zinc/82/05/68/1077820568.db2.gz CHDKPLOTPSQECD-LJQANCHMSA-N 1 0 403.523 2.946 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000792330627 1077821461 /nfs/dbraw/zinc/82/14/61/1077821461.db2.gz DXGSPGCEGGRCCE-RBUKOAKNSA-N 1 0 412.571 2.656 20 0 HFADRO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000772795252 1077829152 /nfs/dbraw/zinc/82/91/52/1077829152.db2.gz QDJBVSQVRNAHJV-WOJBJXKFSA-N 1 0 423.340 2.952 20 0 HFADRO O=C(Nc1ccnn1C1CCCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792403373 1077837469 /nfs/dbraw/zinc/83/74/69/1077837469.db2.gz ARFKFNUEVLFIKA-KDURUIRLSA-N 1 0 407.518 2.527 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)C2=O)c(C)c1 ZINC000789922225 1077848610 /nfs/dbraw/zinc/84/86/10/1077848610.db2.gz WOLMEGWOLZPNLO-UXHICEINSA-N 1 0 401.551 2.627 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cc[nH]c3C3CC3)CC2)cc1 ZINC000792415670 1077848839 /nfs/dbraw/zinc/84/88/39/1077848839.db2.gz DTAKJSSIHVEXPW-UHFFFAOYSA-N 1 0 411.502 2.792 20 0 HFADRO CC[C@@H](C)n1ncc(NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1C ZINC000792417558 1077849188 /nfs/dbraw/zinc/84/91/88/1077849188.db2.gz CROWXSIARKQDRR-MRXNPFEDSA-N 1 0 412.538 2.882 20 0 HFADRO COCN1C(=O)CCc2cc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)ccc21 ZINC000789925247 1077849766 /nfs/dbraw/zinc/84/97/66/1077849766.db2.gz RJNXVTIUFPQMFG-UHFFFAOYSA-N 1 0 422.529 2.569 20 0 HFADRO COCC[N@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CC[C@H](C)C1 ZINC000792461980 1077858600 /nfs/dbraw/zinc/85/86/00/1077858600.db2.gz BKSOSQRPAODVCJ-FXAWDEMLSA-N 1 0 419.541 2.814 20 0 HFADRO CN(C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000789942901 1077861909 /nfs/dbraw/zinc/86/19/09/1077861909.db2.gz UZPLBHARVACNGB-NRFANRHFSA-N 1 0 418.559 2.808 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccn(Cc2cccc(F)c2)c(=O)c1 ZINC001170167454 1077865918 /nfs/dbraw/zinc/86/59/18/1077865918.db2.gz ICRMYJLZZCRFJH-UHFFFAOYSA-N 1 0 421.476 2.904 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792499104 1077868532 /nfs/dbraw/zinc/86/85/32/1077868532.db2.gz UTNOMCDVSIKANQ-AVRDEDQJSA-N 1 0 405.514 2.974 20 0 HFADRO O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792499097 1077868543 /nfs/dbraw/zinc/86/85/43/1077868543.db2.gz UQRUHNVHAPOFSG-CNZFZVQHSA-N 1 0 403.486 2.696 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)=NO1 ZINC000789963020 1077872592 /nfs/dbraw/zinc/87/25/92/1077872592.db2.gz FIHGSIAMNXUNCQ-SFHVURJKSA-N 1 0 416.522 2.933 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccnc(OCc2ccccn2)c1 ZINC001170167593 1077885550 /nfs/dbraw/zinc/88/55/50/1077885550.db2.gz PFHAYKCYSDSRQS-UHFFFAOYSA-N 1 0 404.474 2.924 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccc2nnc(-c3cccnc3)n2c1 ZINC001170168981 1077890642 /nfs/dbraw/zinc/89/06/42/1077890642.db2.gz ZSJLUYGYKNYAKI-UHFFFAOYSA-N 1 0 414.473 2.659 20 0 HFADRO C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000792566466 1077906038 /nfs/dbraw/zinc/90/60/38/1077906038.db2.gz VXSWMMRIUBXOOQ-QRYOHXEKSA-N 1 0 410.474 2.674 20 0 HFADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2ccccc2[C@H]1C ZINC001157702772 1077908288 /nfs/dbraw/zinc/90/82/88/1077908288.db2.gz CWVDWQYLNXPAQK-VSDWSMLSSA-N 1 0 423.557 2.939 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)CCO1 ZINC001170215410 1077909026 /nfs/dbraw/zinc/90/90/26/1077909026.db2.gz BQUVLLNRAQVPJR-HSALFYBXSA-N 1 0 403.567 2.926 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CCO1 ZINC001170236221 1077914072 /nfs/dbraw/zinc/91/40/72/1077914072.db2.gz CQRZJADEWMZGFS-OKZBNKHCSA-N 1 0 406.523 2.864 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cccc(OCC(F)(F)F)c1 ZINC000790019073 1077915858 /nfs/dbraw/zinc/91/58/58/1077915858.db2.gz PGWZYZHNNSGXPM-UHFFFAOYSA-N 1 0 421.441 2.770 20 0 HFADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790030486 1077920060 /nfs/dbraw/zinc/92/00/60/1077920060.db2.gz AEAAOXBWOXOKKD-UHFFFAOYSA-N 1 0 414.594 2.572 20 0 HFADRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)c1 ZINC001170264825 1077921450 /nfs/dbraw/zinc/92/14/50/1077921450.db2.gz ZADJHFYTTCIOJD-LPHOPBHVSA-N 1 0 412.486 2.730 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccccc1-c1nccs1 ZINC000790048455 1077928478 /nfs/dbraw/zinc/92/84/78/1077928478.db2.gz NYPNROYDLWWLQH-UHFFFAOYSA-N 1 0 406.533 2.953 20 0 HFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790051336 1077931096 /nfs/dbraw/zinc/93/10/96/1077931096.db2.gz FIGREOLCNSYITC-NRFANRHFSA-N 1 0 414.594 2.572 20 0 HFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052727 1077931698 /nfs/dbraw/zinc/93/16/98/1077931698.db2.gz KKENLIXHWDIXSK-NRFANRHFSA-N 1 0 414.594 2.668 20 0 HFADRO CC(C)(C)CC(C)(C)[NH+]1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC001170300637 1077931811 /nfs/dbraw/zinc/93/18/11/1077931811.db2.gz UPTPCXMYOILZQI-UHFFFAOYSA-N 1 0 408.631 2.728 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccccc2CS(=O)(=O)c2ccccc2)O1 ZINC001170285536 1077937608 /nfs/dbraw/zinc/93/76/08/1077937608.db2.gz ZUFLWDMFUZNYHF-NJDAHSKKSA-N 1 0 404.532 2.797 20 0 HFADRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4cn(Cc5ccccc5)nn4)n3)c2)CC1 ZINC001212601383 1077938385 /nfs/dbraw/zinc/93/83/85/1077938385.db2.gz UXJUEUKFOUSIRQ-UHFFFAOYSA-N 1 0 415.501 2.791 20 0 HFADRO CCOC(=O)c1sc2[nH]c([C@H](C)N3CC[NH+]([C@H](C)CC)CC3)nc(=O)c2c1C ZINC001170314795 1077941128 /nfs/dbraw/zinc/94/11/28/1077941128.db2.gz FTZULULPQUVTFC-OCCSQVGLSA-N 1 0 406.552 2.947 20 0 HFADRO CCOC(=O)c1sc2[nH]c([C@@H](C)N3CC[NH+]([C@H](C)CC)CC3)nc(=O)c2c1C ZINC001170314797 1077941240 /nfs/dbraw/zinc/94/12/40/1077941240.db2.gz FTZULULPQUVTFC-TZMCWYRMSA-N 1 0 406.552 2.947 20 0 HFADRO Cc1nnc(COCC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)s1 ZINC001170319466 1077941918 /nfs/dbraw/zinc/94/19/18/1077941918.db2.gz BOVUQPSBBKNILK-CQSZACIVSA-N 1 0 402.442 2.801 20 0 HFADRO C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1nnnn1C1CC1 ZINC000790114374 1077942264 /nfs/dbraw/zinc/94/22/64/1077942264.db2.gz QAJNQMWSYTXDJV-GDBMZVCRSA-N 1 0 403.556 2.903 20 0 HFADRO COC(=O)C(C(=O)OC)c1cncc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001170330451 1077944839 /nfs/dbraw/zinc/94/48/39/1077944839.db2.gz OUDWGMJDSMYVMW-NNZMDNLPSA-N 1 0 424.501 2.514 20 0 HFADRO COc1csc(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000747083261 1077950121 /nfs/dbraw/zinc/95/01/21/1077950121.db2.gz MZRZOOGLGHCIBV-UHFFFAOYSA-N 1 0 402.516 2.956 20 0 HFADRO C[NH+]1CCC(COc2cnc(NCC3CCN(C(=O)C(C)(C)C)CC3)nc2)CC1 ZINC001170349586 1077955554 /nfs/dbraw/zinc/95/55/54/1077955554.db2.gz POOPBJYZGLOWLJ-UHFFFAOYSA-N 1 0 403.571 2.894 20 0 HFADRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000790144470 1077956074 /nfs/dbraw/zinc/95/60/74/1077956074.db2.gz RLTFXGIPIMUULI-UHFFFAOYSA-N 1 0 416.497 2.914 20 0 HFADRO CC1(C)[C@H]([NH2+]CC(=O)NCCOc2cccc(C(F)(F)F)c2)[C@H]2CCCO[C@H]21 ZINC001170385230 1077956805 /nfs/dbraw/zinc/95/68/05/1077956805.db2.gz GQJUFCAOADTECB-KBAYOESNSA-N 1 0 400.441 2.994 20 0 HFADRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cncc(Cl)n2)CC1 ZINC000790149268 1077957003 /nfs/dbraw/zinc/95/70/03/1077957003.db2.gz CHIHVOHLJLSFFK-UHFFFAOYSA-N 1 0 410.703 2.897 20 0 HFADRO Cc1cc(C)c(N2C[C@H](C(=O)N(C)CCN3C[C@@H](C)O[C@@H](C)C3)CC2=O)c(C)c1 ZINC000790122810 1077957897 /nfs/dbraw/zinc/95/78/97/1077957897.db2.gz TYDIRBXQLHLRBJ-HSALFYBXSA-N 1 0 401.551 2.532 20 0 HFADRO Cc1cc(C)c(N2C[C@@H](C(=O)N(C)CCN3C[C@@H](C)O[C@@H](C)C3)CC2=O)c(C)c1 ZINC000790122819 1077957927 /nfs/dbraw/zinc/95/79/27/1077957927.db2.gz TYDIRBXQLHLRBJ-ZCNNSNEGSA-N 1 0 401.551 2.532 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000790125237 1077959378 /nfs/dbraw/zinc/95/93/78/1077959378.db2.gz RHNPYOYRUUJGJE-UHFFFAOYSA-N 1 0 424.545 2.670 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000790156466 1077960917 /nfs/dbraw/zinc/96/09/17/1077960917.db2.gz ALEFNUMULAQJJR-SIKLNZKXSA-N 1 0 413.566 2.880 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2ccc(C)c(N)[nH+]2)C1 ZINC001170377803 1077962866 /nfs/dbraw/zinc/96/28/66/1077962866.db2.gz OUIQEWSGGSRAMU-NLWGTHIKSA-N 1 0 418.538 2.724 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000790189477 1077966843 /nfs/dbraw/zinc/96/68/43/1077966843.db2.gz JOYRKKUXXFABQV-BHDDXSALSA-N 1 0 411.550 2.775 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000790194254 1077967731 /nfs/dbraw/zinc/96/77/31/1077967731.db2.gz BJLNBPFPNUSNCY-KRWDZBQOSA-N 1 0 423.517 2.623 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790259391 1077979197 /nfs/dbraw/zinc/97/91/97/1077979197.db2.gz DGTQPDNJJQLDCK-UHFFFAOYSA-N 1 0 416.497 2.914 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)C[C@H]1CCCOC1 ZINC000792747388 1077983260 /nfs/dbraw/zinc/98/32/60/1077983260.db2.gz QBWNHZWZEOHELA-INIZCTEOSA-N 1 0 408.486 2.825 20 0 HFADRO O=S(=O)(C[C@@H]1CCCOC1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000792754753 1077986710 /nfs/dbraw/zinc/98/67/10/1077986710.db2.gz HXMQLYHNZSJILT-QGZVFWFLSA-N 1 0 400.972 2.898 20 0 HFADRO COc1ccc(CC[N@H+](CC(C)C)[C@H]2CCN(C3CCOCC3)C2=O)cc1OC ZINC000790291177 1077987426 /nfs/dbraw/zinc/98/74/26/1077987426.db2.gz SPBXIXAYSSSPMR-FQEVSTJZSA-N 1 0 404.551 2.984 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000772819889 1077988244 /nfs/dbraw/zinc/98/82/44/1077988244.db2.gz SQMVMUTYRIYQRG-DNVCBOLYSA-N 1 0 422.620 2.582 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000790264738 1077989835 /nfs/dbraw/zinc/98/98/35/1077989835.db2.gz OQXDPOINYXVCPB-KBAYOESNSA-N 1 0 409.452 2.764 20 0 HFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000792790770 1077992397 /nfs/dbraw/zinc/99/23/97/1077992397.db2.gz DBIHWLMHVGDZRX-HDICACEKSA-N 1 0 424.586 2.742 20 0 HFADRO S=C(NCCc1ccc2c(c1)OCCO2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000772821250 1077992579 /nfs/dbraw/zinc/99/25/79/1077992579.db2.gz WWYZQFXWUAQJSN-IEBWSBKVSA-N 1 0 401.576 2.824 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(CCO)Cc1ccc(Br)s1 ZINC000790357081 1078003146 /nfs/dbraw/zinc/00/31/46/1078003146.db2.gz RFYMLBMCHMRXAP-LBPRGKRZSA-N 1 0 406.415 2.664 20 0 HFADRO C[C@H](O)[C@](C)(CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000790363043 1078004616 /nfs/dbraw/zinc/00/46/16/1078004616.db2.gz SCKPWYTUOUMWOK-HARLFGEKSA-N 1 0 403.567 2.559 20 0 HFADRO COC(=O)c1csc(-c2cccc(CNC(=S)NCC3CC[NH+](C)CC3)c2)n1 ZINC000790340999 1078007210 /nfs/dbraw/zinc/00/72/10/1078007210.db2.gz FLOCHIGNNSNLJI-UHFFFAOYSA-N 1 0 418.588 2.903 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000792848036 1078014074 /nfs/dbraw/zinc/01/40/74/1078014074.db2.gz LBCJDKQLACNCIT-DUXKGJEZSA-N 1 0 424.545 2.959 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCO[C@H](c3cccc(OC(F)F)c3)C1)C[NH+]1CCC2CC1 ZINC000790365585 1078015204 /nfs/dbraw/zinc/01/52/04/1078015204.db2.gz CGSVOZLARJQGEI-GHTZIAJQSA-N 1 0 423.460 2.535 20 0 HFADRO O=C1CN([C@@H]2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878011 1078015949 /nfs/dbraw/zinc/01/59/49/1078015949.db2.gz QYBJRPGDQBGJNX-FGZHOGPDSA-N 1 0 420.557 2.811 20 0 HFADRO O=C1CN([C@@H]2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878015 1078015972 /nfs/dbraw/zinc/01/59/72/1078015972.db2.gz QYBJRPGDQBGJNX-YADHBBJMSA-N 1 0 420.557 2.811 20 0 HFADRO CN(Cc1csc(Br)c1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790369774 1078016310 /nfs/dbraw/zinc/01/63/10/1078016310.db2.gz MCSWZNDQALWYSU-MRXNPFEDSA-N 1 0 400.342 2.817 20 0 HFADRO C[C@H](c1ccc(Cl)cc1)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790372966 1078017131 /nfs/dbraw/zinc/01/71/31/1078017131.db2.gz XKRCYIXNWPMOPL-VGOFRKELSA-N 1 0 418.969 2.893 20 0 HFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792908543 1078020824 /nfs/dbraw/zinc/02/08/24/1078020824.db2.gz PIDBUKISVJPYBP-KNQAVFIVSA-N 1 0 402.539 2.819 20 0 HFADRO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3c4nc(N5CCC[C@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135116 1078021817 /nfs/dbraw/zinc/02/18/17/1078021817.db2.gz GLGGZWOAVLKXDT-XWCCPHMRSA-N 1 0 404.580 2.598 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000790420176 1078022240 /nfs/dbraw/zinc/02/22/40/1078022240.db2.gz GSQDMQHAALHSKF-UCNVEGJOSA-N 1 0 411.550 2.773 20 0 HFADRO CN1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000792942566 1078022618 /nfs/dbraw/zinc/02/26/18/1078022618.db2.gz ORVRAIZOMHVWKU-DEOSSOPVSA-N 1 0 422.573 2.711 20 0 HFADRO C[N@@H+]1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)C[C@H]1Cc1ccccc1 ZINC000792944172 1078022886 /nfs/dbraw/zinc/02/28/86/1078022886.db2.gz WVRFUFUHGHSYHG-GOSISDBHSA-N 1 0 414.460 2.622 20 0 HFADRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)c1ccccc1C(=O)NCc1ccco1 ZINC000792923262 1078026974 /nfs/dbraw/zinc/02/69/74/1078026974.db2.gz DLQRUBGNUPZYAF-RTWAWAEBSA-N 1 0 411.502 2.816 20 0 HFADRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000792923268 1078026991 /nfs/dbraw/zinc/02/69/91/1078026991.db2.gz BSHJRPAGYKTIKF-UEXGIBASSA-N 1 0 416.566 2.619 20 0 HFADRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000792923265 1078027010 /nfs/dbraw/zinc/02/70/10/1078027010.db2.gz BSHJRPAGYKTIKF-OPYAIIAOSA-N 1 0 416.566 2.619 20 0 HFADRO NC(=O)NC(=O)OCCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000792931703 1078027901 /nfs/dbraw/zinc/02/79/01/1078027901.db2.gz SCLYLOVQMCERMS-HNNXBMFYSA-N 1 0 403.401 2.958 20 0 HFADRO Cc1ccc(CNC(=O)C2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000792977680 1078030789 /nfs/dbraw/zinc/03/07/89/1078030789.db2.gz LKRFUOKWWRIMIO-HXUWFJFHSA-N 1 0 419.566 2.599 20 0 HFADRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000792948888 1078032860 /nfs/dbraw/zinc/03/28/60/1078032860.db2.gz MEQNJZKBPBMWQI-OLZOCXBDSA-N 1 0 416.503 2.740 20 0 HFADRO O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1)OCc1ccccc1 ZINC000792951276 1078033540 /nfs/dbraw/zinc/03/35/40/1078033540.db2.gz QTNZMZIYOWCAOF-NHCUHLMSSA-N 1 0 414.550 2.819 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)c2ccc1Br ZINC000790443415 1078033708 /nfs/dbraw/zinc/03/37/08/1078033708.db2.gz VKEGVVQOZMYBKT-STQMWFEESA-N 1 0 408.296 2.901 20 0 HFADRO COC(=O)c1c2cnn(CN(C)[C@@H]3CC[N@@H+](C4CC4)C3)c2ccc1Br ZINC000790446081 1078034066 /nfs/dbraw/zinc/03/40/66/1078034066.db2.gz LIXKUTKHPFQMQV-CYBMUJFWSA-N 1 0 407.312 2.711 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)n3)cc2)C[C@H](C)O1 ZINC000792952905 1078034111 /nfs/dbraw/zinc/03/41/11/1078034111.db2.gz WEADFRPZYQMOIK-GASCZTMLSA-N 1 0 416.909 2.599 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]Cc2cccnc2N2CCOCC2)CC1 ZINC000790463484 1078035266 /nfs/dbraw/zinc/03/52/66/1078035266.db2.gz KAYJHGPXEKZJOI-UHFFFAOYSA-N 1 0 410.518 2.809 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000790452227 1078035718 /nfs/dbraw/zinc/03/57/18/1078035718.db2.gz XBOCBXDDSBQEKA-CQSZACIVSA-N 1 0 407.458 2.586 20 0 HFADRO NC(=O)[C@@H](C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000790478234 1078040505 /nfs/dbraw/zinc/04/05/05/1078040505.db2.gz MAUWYPGQGOFRRL-LJQANCHMSA-N 1 0 413.493 2.861 20 0 HFADRO O=C1c2ccc(Br)cc2N(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772825619 1078042477 /nfs/dbraw/zinc/04/24/77/1078042477.db2.gz CMZTYYFUBRBWBT-SUMWQHHRSA-N 1 0 418.335 2.885 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(c3ccccc3)CC2)[C@@H](C)C1 ZINC000806225171 1079507772 /nfs/dbraw/zinc/50/77/72/1079507772.db2.gz GMTGAUKSVXHLDP-UGKGYDQZSA-N 1 0 415.578 2.646 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N(C)Cc3nncn3C)cc2Cl)CC1 ZINC000806229052 1079509910 /nfs/dbraw/zinc/50/99/10/1079509910.db2.gz SJHUJODWALNCNJ-UHFFFAOYSA-N 1 0 405.934 2.664 20 0 HFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000806239082 1079514812 /nfs/dbraw/zinc/51/48/12/1079514812.db2.gz MXHIAQNNRYBHSY-YADHBBJMSA-N 1 0 423.561 2.551 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000806270964 1079532953 /nfs/dbraw/zinc/53/29/53/1079532953.db2.gz KGYAWMFFFKPGKY-VQIMIIECSA-N 1 0 413.440 2.961 20 0 HFADRO C[C@@H](Cc1ccco1)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000747311675 1079545065 /nfs/dbraw/zinc/54/50/65/1079545065.db2.gz NFJMRWTWPIYJMF-INIZCTEOSA-N 1 0 401.532 2.557 20 0 HFADRO C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000806306754 1079557940 /nfs/dbraw/zinc/55/79/40/1079557940.db2.gz HFKARPNIGBSZLN-ZWKOTPCHSA-N 1 0 420.558 2.700 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000806308542 1079562475 /nfs/dbraw/zinc/56/24/75/1079562475.db2.gz UVCRRFMRYALCCS-VQTJNVASSA-N 1 0 404.555 2.858 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000806290587 1079577157 /nfs/dbraw/zinc/57/71/57/1079577157.db2.gz MMGBPJZURCTXDZ-GOSISDBHSA-N 1 0 417.428 2.895 20 0 HFADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000806354025 1079625691 /nfs/dbraw/zinc/62/56/91/1079625691.db2.gz SFJLLZRLQOFBNQ-NAZJXLNTSA-N 1 0 408.568 2.852 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000806388827 1079639895 /nfs/dbraw/zinc/63/98/95/1079639895.db2.gz JLGLGIBBWVOHBQ-AABGKKOBSA-N 1 0 421.557 2.723 20 0 HFADRO CN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1=O ZINC001130606177 1079656928 /nfs/dbraw/zinc/65/69/28/1079656928.db2.gz OCQWARPIHPGNHC-LEWJYISDSA-N 1 0 411.933 2.856 20 0 HFADRO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000806429207 1079673938 /nfs/dbraw/zinc/67/39/38/1079673938.db2.gz REGADHUBTPTJSC-QUCCMNQESA-N 1 0 406.571 2.903 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000806431074 1079677447 /nfs/dbraw/zinc/67/74/47/1079677447.db2.gz KZTJJIXMCACZIP-HXUWFJFHSA-N 1 0 417.554 2.961 20 0 HFADRO CN1CC[NH+](CCCCNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000806450616 1079722139 /nfs/dbraw/zinc/72/21/39/1079722139.db2.gz YAIVDJBPGPIVAZ-UHFFFAOYSA-N 1 0 401.374 2.540 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccnc1-2 ZINC000806491371 1079741346 /nfs/dbraw/zinc/74/13/46/1079741346.db2.gz IZFVZJAVBYTSMK-NQIIRXRSSA-N 1 0 404.518 2.860 20 0 HFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCCC23OCCO3)cc1OC ZINC000806510813 1079753314 /nfs/dbraw/zinc/75/33/14/1079753314.db2.gz AWYXRDJIKOFPNO-GOSISDBHSA-N 1 0 406.523 2.575 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N(CC[NH+](C)C)Cc3cccc(C(F)(F)F)c3)ccnc1-2 ZINC000806480168 1079765598 /nfs/dbraw/zinc/76/55/98/1079765598.db2.gz FQXSDSUBAIVZSL-UHFFFAOYSA-N 1 0 420.439 2.956 20 0 HFADRO C[NH+](C)CCCCCCCNC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000806541576 1079780511 /nfs/dbraw/zinc/78/05/11/1079780511.db2.gz LLLBHRWLNXTSND-MOPGFXCFSA-N 1 0 416.566 2.717 20 0 HFADRO CCCCc1ccc(N2C[C@@H](C(=O)N3CC[NH+](C4CCOCC4)CC3)CC2=O)cc1 ZINC000747334816 1079786679 /nfs/dbraw/zinc/78/66/79/1079786679.db2.gz SOFQANQBLONPOX-FQEVSTJZSA-N 1 0 413.562 2.705 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000806593219 1079835130 /nfs/dbraw/zinc/83/51/30/1079835130.db2.gz GSVKVVQXLUICAT-GOSISDBHSA-N 1 0 424.567 2.665 20 0 HFADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCCc3ccc(Cl)nc3)CC2)CC1 ZINC000806598137 1079841057 /nfs/dbraw/zinc/84/10/57/1079841057.db2.gz RCKWTHBKIUPRMH-UHFFFAOYSA-N 1 0 406.958 2.553 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000806600664 1079843924 /nfs/dbraw/zinc/84/39/24/1079843924.db2.gz XGFHNWHBCCQGNI-IBGZPJMESA-N 1 0 404.580 2.736 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000806612656 1079855374 /nfs/dbraw/zinc/85/53/74/1079855374.db2.gz JDMWGDUKMFODST-GUYCJALGSA-N 1 0 405.417 2.800 20 0 HFADRO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747340542 1079901245 /nfs/dbraw/zinc/90/12/45/1079901245.db2.gz BCOMGZQLVFYUKV-HKUYNNGSSA-N 1 0 419.319 2.961 20 0 HFADRO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2COC(=O)N(C)C)[NH+]2CCCC2)o1 ZINC000806672465 1079906233 /nfs/dbraw/zinc/90/62/33/1079906233.db2.gz DDOBLIQHYXVFDB-ROUUACIJSA-N 1 0 406.527 2.987 20 0 HFADRO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806684656 1079911458 /nfs/dbraw/zinc/91/14/58/1079911458.db2.gz ZRFAQIVPGNYFPY-MRXNPFEDSA-N 1 0 405.539 2.746 20 0 HFADRO Cc1cc(I)cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000806684177 1079912297 /nfs/dbraw/zinc/91/22/97/1079912297.db2.gz RPVCOTYZZDVPQB-LSDHHAIUSA-N 1 0 415.275 2.584 20 0 HFADRO COc1cc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)ccc1S(=O)(=O)C(F)F ZINC000806662063 1079927567 /nfs/dbraw/zinc/92/75/67/1079927567.db2.gz IGZZNAXYVQXJRE-YPMHNXCESA-N 1 0 424.535 2.552 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738408 1079929553 /nfs/dbraw/zinc/92/95/53/1079929553.db2.gz CZDCRETXIUQSBA-CKEIUWERSA-N 1 0 402.322 2.579 20 0 HFADRO C[C@H](NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806733187 1079958858 /nfs/dbraw/zinc/95/88/58/1079958858.db2.gz YWMMHHOTPXXFHR-RXVVDRJESA-N 1 0 423.557 2.557 20 0 HFADRO C[C@@H](NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806733188 1079958929 /nfs/dbraw/zinc/95/89/29/1079958929.db2.gz YWMMHHOTPXXFHR-WIYYLYMNSA-N 1 0 423.557 2.557 20 0 HFADRO COc1cccc(OCCC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130732707 1079970239 /nfs/dbraw/zinc/97/02/39/1079970239.db2.gz BBLPISLTHZSYNQ-GOTSBHOMSA-N 1 0 410.514 2.966 20 0 HFADRO CC(C)C(=O)Nc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC001130733709 1079973152 /nfs/dbraw/zinc/97/31/52/1079973152.db2.gz WZWXWPGNNNCMDM-NHCUHLMSSA-N 1 0 422.529 2.792 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000806758253 1079976468 /nfs/dbraw/zinc/97/64/68/1079976468.db2.gz ITVAYKGKKZZNLO-SFHVURJKSA-N 1 0 424.586 2.720 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc2)CC1 ZINC001130742204 1080005569 /nfs/dbraw/zinc/00/55/69/1080005569.db2.gz NCJRPVHRKIPYPV-UHFFFAOYSA-N 1 0 420.554 2.556 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@@]34CCO[C@H]3CCCC4)cc2)CC1 ZINC001130742171 1080005676 /nfs/dbraw/zinc/00/56/76/1080005676.db2.gz LPKREAAZTHHDML-GMAHTHKFSA-N 1 0 401.551 2.991 20 0 HFADRO CCc1ccc([C@@H](COC)NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000806794434 1080013861 /nfs/dbraw/zinc/01/38/61/1080013861.db2.gz QIWWMXVKZVGTIM-FAFZWHIHSA-N 1 0 405.539 2.559 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)c1-c1ccccc1 ZINC000806843235 1080029727 /nfs/dbraw/zinc/02/97/27/1080029727.db2.gz HNECHSDBFKIMQK-HXUWFJFHSA-N 1 0 423.561 2.729 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NCC[S@](=O)Cc2ccccc2)c1-c1ccccc1 ZINC000806825296 1080040790 /nfs/dbraw/zinc/04/07/90/1080040790.db2.gz WKYCDTMWAYKWBH-PMERELPUSA-N 1 0 424.570 2.790 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NCC[S@@](=O)Cc2ccccc2)c1-c1ccccc1 ZINC000806825297 1080040846 /nfs/dbraw/zinc/04/08/46/1080040846.db2.gz WKYCDTMWAYKWBH-SSEXGKCCSA-N 1 0 424.570 2.790 20 0 HFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001130758078 1080043438 /nfs/dbraw/zinc/04/34/38/1080043438.db2.gz RZCOUVPJTTZLMZ-HOJAQTOUSA-N 1 0 415.534 2.765 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000806831005 1080044993 /nfs/dbraw/zinc/04/49/93/1080044993.db2.gz NSJQYPJEKCTCNW-QUCCMNQESA-N 1 0 424.586 2.578 20 0 HFADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000806872163 1080073508 /nfs/dbraw/zinc/07/35/08/1080073508.db2.gz FMHHUOVCXZVFNZ-NRFANRHFSA-N 1 0 406.958 2.613 20 0 HFADRO CN(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000806872164 1080073537 /nfs/dbraw/zinc/07/35/37/1080073537.db2.gz FMHHUOVCXZVFNZ-OAQYLSRUSA-N 1 0 406.958 2.613 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000806886478 1080083413 /nfs/dbraw/zinc/08/34/13/1080083413.db2.gz QCTYVGQPNSWDEH-IBGZPJMESA-N 1 0 409.530 2.533 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cn(C)nc3Br)cc2)CC1 ZINC001130777082 1080103797 /nfs/dbraw/zinc/10/37/97/1080103797.db2.gz OTCKCXZQGUXMAL-UHFFFAOYSA-N 1 0 406.328 2.965 20 0 HFADRO Cc1c(NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)n(C)nc1C(F)(F)F ZINC000806934842 1080141491 /nfs/dbraw/zinc/14/14/91/1080141491.db2.gz ZSDTWFIPJKAVLY-UHFFFAOYSA-N 1 0 415.460 2.599 20 0 HFADRO NC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1Cl ZINC000806989709 1080168812 /nfs/dbraw/zinc/16/88/12/1080168812.db2.gz CIWBPCHJDIASHB-JOCHJYFZSA-N 1 0 412.921 2.962 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000807003232 1080181835 /nfs/dbraw/zinc/18/18/35/1080181835.db2.gz ZAAVCVZVDWDFSE-QAETUUGQSA-N 1 0 420.520 2.841 20 0 HFADRO CCOC(=O)C1=C(Nc2ncc(Br)cc2Br)CC[NH2+]C1 ZINC001170515364 1080193856 /nfs/dbraw/zinc/19/38/56/1080193856.db2.gz KCEYASVWLPXBLT-UHFFFAOYSA-N 1 0 405.090 2.829 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000807007731 1080206890 /nfs/dbraw/zinc/20/68/90/1080206890.db2.gz MRMKGFPJRGXRAF-QFBILLFUSA-N 1 0 403.527 2.527 20 0 HFADRO CSCC[C@@H](C)NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000807055029 1080237380 /nfs/dbraw/zinc/23/73/80/1080237380.db2.gz KEYHTPPHNPZRDE-XMSQKQJNSA-N 1 0 403.592 2.759 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807056647 1080239635 /nfs/dbraw/zinc/23/96/35/1080239635.db2.gz GWQKCJYLLSLDSJ-MORSLUCNSA-N 1 0 413.534 2.863 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807068995 1080250760 /nfs/dbraw/zinc/25/07/60/1080250760.db2.gz YIGAENZVCIFLMY-LJQANCHMSA-N 1 0 403.527 2.608 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807068757 1080250841 /nfs/dbraw/zinc/25/08/41/1080250841.db2.gz OWQXCOJGLKAMNS-IBGZPJMESA-N 1 0 403.527 2.560 20 0 HFADRO CC(=O)c1cc(NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000807072247 1080255600 /nfs/dbraw/zinc/25/56/00/1080255600.db2.gz KUTMMLWQADTEIL-HSZRJFAPSA-N 1 0 411.477 2.995 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807087181 1080265275 /nfs/dbraw/zinc/26/52/75/1080265275.db2.gz GGBJIQZRNXJYFP-HSZRJFAPSA-N 1 0 423.557 2.991 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C[C@H]1C ZINC000807088471 1080266554 /nfs/dbraw/zinc/26/65/54/1080266554.db2.gz BXIFPHPFZJEXQV-QMMLZNLJSA-N 1 0 401.551 2.602 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000807089655 1080268155 /nfs/dbraw/zinc/26/81/55/1080268155.db2.gz JFTFVKAITDQHMP-QFIPXVFZSA-N 1 0 413.562 2.605 20 0 HFADRO CC(C)NC(=O)CSc1ccccc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000747372770 1080285998 /nfs/dbraw/zinc/28/59/98/1080285998.db2.gz AVZNQKCWCKKULN-QXAKKESOSA-N 1 0 419.591 2.627 20 0 HFADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000807113515 1080290935 /nfs/dbraw/zinc/29/09/35/1080290935.db2.gz FDAVEZYFNBVHIL-KRFUXDQASA-N 1 0 403.592 2.660 20 0 HFADRO C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C(N)=O)c(Cl)n2)C[N@@H+]1Cc1ccccc1 ZINC000807149638 1080306960 /nfs/dbraw/zinc/30/69/60/1080306960.db2.gz CKWUYDKRXLUGIZ-GDBMZVCRSA-N 1 0 400.910 2.864 20 0 HFADRO C[C@@H]1CN(C(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000807176800 1080330493 /nfs/dbraw/zinc/33/04/93/1080330493.db2.gz HWUACAKXFAJGSR-BSLALVQMSA-N 1 0 418.969 2.708 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)C2)cc1 ZINC000807213637 1080364398 /nfs/dbraw/zinc/36/43/98/1080364398.db2.gz IPVCVEYJFGGPHC-PZJWPPBQSA-N 1 0 414.481 2.929 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)C2)cc1 ZINC000807213635 1080364550 /nfs/dbraw/zinc/36/45/50/1080364550.db2.gz IPVCVEYJFGGPHC-FPOVZHCZSA-N 1 0 414.481 2.929 20 0 HFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000807180413 1080374051 /nfs/dbraw/zinc/37/40/51/1080374051.db2.gz JXVFTTDGRLLOEL-AWEZNQCLSA-N 1 0 422.469 2.740 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1 ZINC000807215318 1080380530 /nfs/dbraw/zinc/38/05/30/1080380530.db2.gz UDBJBPNMDXVEAF-QGZVFWFLSA-N 1 0 406.502 2.845 20 0 HFADRO NC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC000807225129 1080384660 /nfs/dbraw/zinc/38/46/60/1080384660.db2.gz CAPFAOVJLCSVNL-CGTJXYLNSA-N 1 0 412.921 2.864 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000807246291 1080403358 /nfs/dbraw/zinc/40/33/58/1080403358.db2.gz KLBBIGUBJOQNBJ-PMACEKPBSA-N 1 0 403.567 2.664 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000807247530 1080404612 /nfs/dbraw/zinc/40/46/12/1080404612.db2.gz XRZGHBBSLPFNIV-LEWJYISDSA-N 1 0 417.594 2.577 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000807247531 1080404674 /nfs/dbraw/zinc/40/46/74/1080404674.db2.gz XRZGHBBSLPFNIV-NHCUHLMSSA-N 1 0 417.594 2.577 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1C)c1ccco1 ZINC000807310396 1080503480 /nfs/dbraw/zinc/50/34/80/1080503480.db2.gz HQNKYVVZRHWIKB-GUYCJALGSA-N 1 0 416.478 2.950 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1)c1ccco1 ZINC000807310688 1080504390 /nfs/dbraw/zinc/50/43/90/1080504390.db2.gz QBBHERSQDORRRL-BLLLJJGKSA-N 1 0 421.881 2.904 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)OC)cc1)c1ccco1 ZINC000807313076 1080506056 /nfs/dbraw/zinc/50/60/56/1080506056.db2.gz WGGVWDQVNDSYND-RHSMWYFYSA-N 1 0 416.478 2.666 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354499 1080517129 /nfs/dbraw/zinc/51/71/29/1080517129.db2.gz CDHMCTXRGQDXAS-RUZDIDTESA-N 1 0 421.541 2.977 20 0 HFADRO Cc1ccc(N(C)[C@H]2CCCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000807363496 1080525570 /nfs/dbraw/zinc/52/55/70/1080525570.db2.gz IYYMMYXWBHTGKY-VCWGRIPDSA-N 1 0 412.578 2.554 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000807331807 1080531364 /nfs/dbraw/zinc/53/13/64/1080531364.db2.gz HLFKHTKBKFZKNJ-UHFFFAOYSA-N 1 0 404.580 2.513 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000807331742 1080531780 /nfs/dbraw/zinc/53/17/80/1080531780.db2.gz GMTLCCPQPNTBCT-KDURUIRLSA-N 1 0 416.566 2.573 20 0 HFADRO CCOC(=O)C1=C(Nc2cccn3c(=O)ccnc23)CC[N@H+](Cc2ccccc2)C1 ZINC001170522314 1080539855 /nfs/dbraw/zinc/53/98/55/1080539855.db2.gz IAUSDUNFRNKFNR-UHFFFAOYSA-N 1 0 404.470 2.830 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000807353002 1080559340 /nfs/dbraw/zinc/55/93/40/1080559340.db2.gz CHTKQCZLEWFLFZ-WBVHZDCISA-N 1 0 404.942 2.964 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000807369145 1080569390 /nfs/dbraw/zinc/56/93/90/1080569390.db2.gz ORLNJYZCNKXYLO-UHFFFAOYSA-N 1 0 419.566 2.508 20 0 HFADRO Cc1cnc(C(=O)OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000807428023 1080589092 /nfs/dbraw/zinc/58/90/92/1080589092.db2.gz QVUVTKPERQLGFT-SFHVURJKSA-N 1 0 402.882 2.549 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)Nc3ccc(F)c([C@H](C)O)c3)c2)CC1 ZINC000807398564 1080594223 /nfs/dbraw/zinc/59/42/23/1080594223.db2.gz XJHSWXJNUJMFTQ-HNNXBMFYSA-N 1 0 414.481 2.598 20 0 HFADRO C[C@H](NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)[C@H](c1ccccc1)[NH+](C)C ZINC000807402717 1080597737 /nfs/dbraw/zinc/59/77/37/1080597737.db2.gz LJSPOTSRSFKUMO-MCNSAMFCSA-N 1 0 401.507 2.805 20 0 HFADRO COc1ccc(OC)c2c1CN(C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C[C@H]2O ZINC000807402674 1080598105 /nfs/dbraw/zinc/59/81/05/1080598105.db2.gz KQUCMRSTCCSFNA-LDJQZATESA-N 1 0 413.518 2.954 20 0 HFADRO C[C@H](NC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807405079 1080599003 /nfs/dbraw/zinc/59/90/03/1080599003.db2.gz JKDXVOSHLRJHHS-YOEHRIQHSA-N 1 0 414.472 2.778 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)[NH+](C)C ZINC000807407590 1080602494 /nfs/dbraw/zinc/60/24/94/1080602494.db2.gz CTUYWKVTZKTZPY-XIRDDKMYSA-N 1 0 414.472 2.791 20 0 HFADRO COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc(OC)c1C(C)C ZINC000807453298 1080632761 /nfs/dbraw/zinc/63/27/61/1080632761.db2.gz JEOXUTMKEOEBFE-WBVHZDCISA-N 1 0 403.523 2.851 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807453293 1080632854 /nfs/dbraw/zinc/63/28/54/1080632854.db2.gz JDWAALYZIOKAFI-RDTXWAMCSA-N 1 0 406.477 2.589 20 0 HFADRO CC(C)SCCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000807444566 1080665516 /nfs/dbraw/zinc/66/55/16/1080665516.db2.gz FWGVJVFWYABUOF-UHFFFAOYSA-N 1 0 406.596 2.661 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)nc1Br ZINC000807486775 1080670245 /nfs/dbraw/zinc/67/02/45/1080670245.db2.gz WVCJVUVFJKSEMH-CQSZACIVSA-N 1 0 423.286 2.649 20 0 HFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807487441 1080671344 /nfs/dbraw/zinc/67/13/44/1080671344.db2.gz WSZNRTWRSNVNJV-SFHVURJKSA-N 1 0 423.435 2.864 20 0 HFADRO CN(C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000807499958 1080697622 /nfs/dbraw/zinc/69/76/22/1080697622.db2.gz NIUKHVNXCLVFNS-RUZDIDTESA-N 1 0 423.557 2.523 20 0 HFADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(C4(O)COC4)cc3)c2C1 ZINC000807532940 1080746912 /nfs/dbraw/zinc/74/69/12/1080746912.db2.gz VHSOYQIIOCHGFL-MRXNPFEDSA-N 1 0 423.513 2.842 20 0 HFADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000807543215 1080758303 /nfs/dbraw/zinc/75/83/03/1080758303.db2.gz KQWYEAPTFCASGE-DZGCQCFKSA-N 1 0 417.307 2.562 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000807544742 1080761577 /nfs/dbraw/zinc/76/15/77/1080761577.db2.gz ZWCDEJFDHURVDB-HNAYVOBHSA-N 1 0 410.474 2.583 20 0 HFADRO COC[C@@]1(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807549580 1080765391 /nfs/dbraw/zinc/76/53/91/1080765391.db2.gz DORDLHSYOOXYPG-GCJKJVERSA-N 1 0 424.586 2.530 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000807551364 1080766453 /nfs/dbraw/zinc/76/64/53/1080766453.db2.gz RVPPVLXMKKCTFH-NJNPRVFISA-N 1 0 424.586 2.671 20 0 HFADRO CC[C@H](c1ccccc1OC)N(C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000807527700 1080780780 /nfs/dbraw/zinc/78/07/80/1080780780.db2.gz XQBLNTNARNALKI-HXUWFJFHSA-N 1 0 424.545 2.995 20 0 HFADRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@H]1c1ccc(O)cc1 ZINC001170528040 1080784025 /nfs/dbraw/zinc/78/40/25/1080784025.db2.gz WOICQRUXLWMOTQ-XZOQPEGZSA-N 1 0 410.514 2.613 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000807583083 1080795121 /nfs/dbraw/zinc/79/51/21/1080795121.db2.gz ZBCRLWZSANABRJ-IEZWGBDMSA-N 1 0 416.547 2.907 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCCN1C(=O)OC(C)(C)C ZINC000807552860 1080802451 /nfs/dbraw/zinc/80/24/51/1080802451.db2.gz CBZURPOPJBRJIW-JBYIUTFZSA-N 1 0 424.586 2.528 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CCCN1C(=O)OC(C)(C)C ZINC000807552866 1080802598 /nfs/dbraw/zinc/80/25/98/1080802598.db2.gz CBZURPOPJBRJIW-NPPFBWRTSA-N 1 0 424.586 2.528 20 0 HFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000807552572 1080803227 /nfs/dbraw/zinc/80/32/27/1080803227.db2.gz AQWHXBBLMTXXCG-FGSXEWAUSA-N 1 0 424.586 2.671 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000807555615 1080806893 /nfs/dbraw/zinc/80/68/93/1080806893.db2.gz GKVZBFBUFZLRAZ-LJQANCHMSA-N 1 0 414.937 2.783 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000807558127 1080809188 /nfs/dbraw/zinc/80/91/88/1080809188.db2.gz SVLPTGRULPJSNB-UHFFFAOYSA-N 1 0 414.937 2.783 20 0 HFADRO COc1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)ccc1OCC(=O)N1CCCC1 ZINC000466911937 1126094194 /nfs/dbraw/zinc/09/41/94/1126094194.db2.gz ARUKXXSTJYLYGB-NRFANRHFSA-N 1 0 412.530 2.698 20 0 HFADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)ccc1OCC(=O)N1CCCC1 ZINC000466920571 1126094395 /nfs/dbraw/zinc/09/43/95/1126094395.db2.gz QNILUVSOHCBDKV-OAQYLSRUSA-N 1 0 412.530 2.698 20 0 HFADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000604766159 1126099794 /nfs/dbraw/zinc/09/97/94/1126099794.db2.gz MJENKUBSQCFTOQ-IRXDYDNUSA-N 1 0 402.438 2.682 20 0 HFADRO Cc1cn2c(nc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cc2=O)s1 ZINC001460871429 1126193201 /nfs/dbraw/zinc/19/32/01/1126193201.db2.gz UFJIZAUPZKRTIB-SFHVURJKSA-N 1 0 422.348 2.910 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc(-c3ccn(C)n3)n2)cc1OC ZINC001460872278 1126193479 /nfs/dbraw/zinc/19/34/79/1126193479.db2.gz VOVABWRQBOSDCE-FQEVSTJZSA-N 1 0 402.520 2.644 20 0 HFADRO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)ccc21 ZINC000005005711 132298189 /nfs/dbraw/zinc/29/81/89/132298189.db2.gz IKQVLBSDNCLLKI-UHFFFAOYSA-N 1 0 405.564 2.625 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164400304 718842015 /nfs/dbraw/zinc/84/20/15/718842015.db2.gz WBFCZNZJBZLHSS-QGZVFWFLSA-N 1 0 408.575 2.514 20 0 HFADRO Clc1nc2c(c(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164401104 718861792 /nfs/dbraw/zinc/86/17/92/718861792.db2.gz BZYFCOPSNWBEPB-YLJYHZDGSA-N 1 0 413.953 2.503 20 0 HFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001164406472 718864306 /nfs/dbraw/zinc/86/43/06/718864306.db2.gz GYWAUIXVIOBRBU-IAGOWNOFSA-N 1 0 403.596 2.965 20 0 HFADRO FC(F)(c1nc2ccsc2c(Cl)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416518 718884812 /nfs/dbraw/zinc/88/48/12/718884812.db2.gz YCBBBUKLBGPRFC-UHFFFAOYSA-N 1 0 411.869 2.580 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164433783 718967760 /nfs/dbraw/zinc/96/77/60/718967760.db2.gz NFGXHAFZDUZBPR-KGLIPLIRSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164432631 718967769 /nfs/dbraw/zinc/96/77/69/718967769.db2.gz HZXLEUQFMWWYOL-KGLIPLIRSA-N 1 0 413.774 2.801 20 0 HFADRO [NH3+][C@@H]1[C@H]2CN([C@@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@H]21 ZINC001164441196 718985108 /nfs/dbraw/zinc/98/51/08/718985108.db2.gz XHZXTFMWPPSESH-HXYMJUCXSA-N 1 0 408.308 2.810 20 0 HFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164615361 719013667 /nfs/dbraw/zinc/01/36/67/719013667.db2.gz IMIYUCWBWBFXGI-ICCXJUOJSA-N 1 0 414.815 2.697 20 0 HFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164619671 719018072 /nfs/dbraw/zinc/01/80/72/719018072.db2.gz WRPUDRMHWBUQGL-SWHYSGLUSA-N 1 0 412.824 2.665 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(Cl)cnc43)CC2)CC1 ZINC001164618375 719028140 /nfs/dbraw/zinc/02/81/40/719028140.db2.gz USHDDZCRVAFNKQ-UHFFFAOYSA-N 1 0 403.914 2.922 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cccc(SCC(=O)OC)n3)CC2)CC1 ZINC001164617966 719029857 /nfs/dbraw/zinc/02/98/57/719029857.db2.gz SSTWWOIPCRWWAQ-UHFFFAOYSA-N 1 0 421.563 2.591 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCC[C@H](C)C4)ncn3)CC2)CC1 ZINC001164617626 719033260 /nfs/dbraw/zinc/03/32/60/719033260.db2.gz OEFPAKSJEOTFDG-SFHVURJKSA-N 1 0 415.582 2.957 20 0 HFADRO COC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C(=O)OC ZINC001164629563 719060595 /nfs/dbraw/zinc/06/05/95/719060595.db2.gz XWGUKOUMTZXRDB-IEBWSBKVSA-N 1 0 409.486 2.756 20 0 HFADRO CN1c2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2N2CCC[C@H]2C1=O ZINC001164629491 719079455 /nfs/dbraw/zinc/07/94/55/719079455.db2.gz XUAFIUHDNIHGSG-IRFCIJBXSA-N 1 0 418.545 2.523 20 0 HFADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164666448 719441084 /nfs/dbraw/zinc/44/10/84/719441084.db2.gz CLSCISJIEJEFEJ-DLBZAZTESA-N 1 0 401.580 2.813 20 0 HFADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001164666450 719441902 /nfs/dbraw/zinc/44/19/02/719441902.db2.gz CLSCISJIEJEFEJ-IRXDYDNUSA-N 1 0 401.580 2.813 20 0 HFADRO Cc1cnnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681380 719660516 /nfs/dbraw/zinc/66/05/16/719660516.db2.gz NEGWWOHCKBKFGW-IBGZPJMESA-N 1 0 407.562 2.878 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164689358 719750954 /nfs/dbraw/zinc/75/09/54/719750954.db2.gz CNZPHVDLRQHSHZ-UHFFFAOYSA-N 1 0 411.575 2.950 20 0 HFADRO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164696271 719835548 /nfs/dbraw/zinc/83/55/48/719835548.db2.gz RJXYZFIRANSOLQ-HXUWFJFHSA-N 1 0 419.533 2.522 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001164704293 719885679 /nfs/dbraw/zinc/88/56/79/719885679.db2.gz UZYLFYSMYNMVSX-FVQBIDKESA-N 1 0 401.898 2.593 20 0 HFADRO Clc1nc2nc[nH]c2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699799 719886888 /nfs/dbraw/zinc/88/68/88/719886888.db2.gz ISMCNHKWPSFLSE-UHFFFAOYSA-N 1 0 404.927 2.939 20 0 HFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164811263 720078565 /nfs/dbraw/zinc/07/85/65/720078565.db2.gz NMUJHWXOCUILOX-HOYKHHGWSA-N 1 0 424.545 2.991 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ncsc3n1)CC2 ZINC001164714289 720127304 /nfs/dbraw/zinc/12/73/04/720127304.db2.gz BLDKQOXERQGNOQ-QGZVFWFLSA-N 1 0 410.547 2.989 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164809667 720130003 /nfs/dbraw/zinc/13/00/03/720130003.db2.gz HVSIOSIXBQSDDD-VGOFRKELSA-N 1 0 402.539 2.617 20 0 HFADRO CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)[nH]c-2n1 ZINC001164813883 720144248 /nfs/dbraw/zinc/14/42/48/720144248.db2.gz RLGGUZYAOLIWJU-JPYJTQIMSA-N 1 0 412.534 2.924 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(SCC(=O)OC)n1)C2 ZINC001164816060 720152026 /nfs/dbraw/zinc/15/20/26/720152026.db2.gz KBHKOYROFDOTJZ-UWJYYQICSA-N 1 0 405.564 2.531 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c(OC)cc(OC)cc31)C2 ZINC001164811523 720200117 /nfs/dbraw/zinc/20/01/17/720200117.db2.gz JGFKSKCVCJNWNK-UZUQRXQVSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)C2 ZINC001164811825 720202132 /nfs/dbraw/zinc/20/21/32/720202132.db2.gz KFSJRZDRSVHJKZ-HTZUNMPGSA-N 1 0 422.957 2.591 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cn2)CC1 ZINC001164821914 720296564 /nfs/dbraw/zinc/29/65/64/720296564.db2.gz LYQDTIMQZRXJTR-HUUCEWRRSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2CCC3)CC1 ZINC001164828295 720299090 /nfs/dbraw/zinc/29/90/90/720299090.db2.gz ZWLKLHHOPLZUCY-ZWKOTPCHSA-N 1 0 403.958 2.530 20 0 HFADRO Cc1nc2ccc(F)cc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825974 720306761 /nfs/dbraw/zinc/30/67/61/720306761.db2.gz UWNFYQNCHKCOAE-LEWJYISDSA-N 1 0 411.525 2.989 20 0 HFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821615 720309437 /nfs/dbraw/zinc/30/94/37/720309437.db2.gz LJWMVDSONHEMGI-IRXDYDNUSA-N 1 0 416.957 2.533 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3nc[nH]c3cc2Cl)CC1 ZINC001164831444 720325132 /nfs/dbraw/zinc/32/51/32/720325132.db2.gz SAYMLFUOSXRJTN-IRXDYDNUSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(-c3cccnc3F)n2)CC1 ZINC001164825395 720329818 /nfs/dbraw/zinc/32/98/18/720329818.db2.gz DMPLPQKTHAVXFB-VQTJNVASSA-N 1 0 424.524 2.589 20 0 HFADRO COc1nnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc21 ZINC001164827476 720337610 /nfs/dbraw/zinc/33/76/10/720337610.db2.gz MBDLMCQMYJMXPE-VQTJNVASSA-N 1 0 409.534 2.550 20 0 HFADRO c1cc2nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729884 720348229 /nfs/dbraw/zinc/34/82/29/720348229.db2.gz YTUBGJSIXNZSMY-OALUTQOASA-N 1 0 422.558 2.776 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3c(nc2Cl)CCCC3)CC1 ZINC001164830664 720354543 /nfs/dbraw/zinc/35/45/43/720354543.db2.gz WLGNRHLBBYIDEM-OALUTQOASA-N 1 0 417.985 2.920 20 0 HFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)c3)cc21 ZINC001164729034 720376807 /nfs/dbraw/zinc/37/68/07/720376807.db2.gz UVEACVQTJRYQPR-FCHUYYIVSA-N 1 0 414.513 2.611 20 0 HFADRO O=C(C[C@@H]1OC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]21)N1CCCCC1 ZINC001164835745 720501707 /nfs/dbraw/zinc/50/17/07/720501707.db2.gz KVFWRUIIPHDLRJ-FSSWDIPSSA-N 1 0 412.578 2.921 20 0 HFADRO C[N@H+](Cc1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)nc1)C1CC1 ZINC001164836101 720502799 /nfs/dbraw/zinc/50/27/99/720502799.db2.gz MOPAABMQBZAFMU-CEMLEFRQSA-N 1 0 412.578 2.920 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)C1 ZINC001164730005 720517428 /nfs/dbraw/zinc/51/74/28/720517428.db2.gz PNQIAUNSKZDJHA-CQSZACIVSA-N 1 0 404.946 2.658 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc(Oc3cccc(F)c3)n2)C1 ZINC001164726252 720519378 /nfs/dbraw/zinc/51/93/78/720519378.db2.gz BSSVVCNJECFLJG-ZDUSSCGKSA-N 1 0 417.876 2.851 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(C(=O)OCc3ccccc3)cn2)C1 ZINC001164734899 720526689 /nfs/dbraw/zinc/52/66/89/720526689.db2.gz SXTHXOIYCKRQRE-LJQANCHMSA-N 1 0 405.502 2.833 20 0 HFADRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(F)c1 ZINC001164839304 720532959 /nfs/dbraw/zinc/53/29/59/720532959.db2.gz QDYJJQQRFZEJEA-YQVWRLOYSA-N 1 0 401.486 2.582 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164837352 720537480 /nfs/dbraw/zinc/53/74/80/720537480.db2.gz LXMLYASQDYVPIX-NLWGTHIKSA-N 1 0 412.538 2.536 20 0 HFADRO CNC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1Cl ZINC001164837389 720563707 /nfs/dbraw/zinc/56/37/07/720563707.db2.gz MEROHIVKAOCHPD-SOLBZPMBSA-N 1 0 416.957 2.669 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc4c3CNC4=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836316 720564663 /nfs/dbraw/zinc/56/46/63/720564663.db2.gz JODJGODOHPZZER-RLFYNMQTSA-N 1 0 414.941 2.553 20 0 HFADRO COc1cc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c(OC)c1 ZINC001164730473 720567282 /nfs/dbraw/zinc/56/72/82/720567282.db2.gz WEHUISPGEAEFLU-UHFFFAOYSA-N 1 0 408.506 2.502 20 0 HFADRO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164837152 720608713 /nfs/dbraw/zinc/60/87/13/720608713.db2.gz HHOJFJLNCBUQPB-NJDAHSKKSA-N 1 0 410.566 2.796 20 0 HFADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164737121 720692190 /nfs/dbraw/zinc/69/21/90/720692190.db2.gz DMOYOSFNLLVTNT-SJORKVTESA-N 1 0 419.485 2.543 20 0 HFADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc21 ZINC001164737119 720692290 /nfs/dbraw/zinc/69/22/90/720692290.db2.gz DMOYOSFNLLVTNT-IAGOWNOFSA-N 1 0 419.485 2.543 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(n1)NC(=O)CO3)CC2 ZINC001164844506 720694793 /nfs/dbraw/zinc/69/47/93/720694793.db2.gz SPTZZTZKPDBPPB-GOSISDBHSA-N 1 0 408.502 2.672 20 0 HFADRO Clc1cccc(-c2cccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)n1 ZINC001164739251 720699738 /nfs/dbraw/zinc/69/97/38/720699738.db2.gz MKVKIPGOSWDGLT-HZPDHXFCSA-N 1 0 408.893 2.929 20 0 HFADRO c1cn(C2CCCC2)c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164737797 720709929 /nfs/dbraw/zinc/70/99/29/720709929.db2.gz GYFPNEIXKFYXQV-MSOLQXFVSA-N 1 0 405.506 2.678 20 0 HFADRO CCc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164741127 720758358 /nfs/dbraw/zinc/75/83/58/720758358.db2.gz MIMZQBIWHCKFLQ-GJZGRUSLSA-N 1 0 422.558 2.874 20 0 HFADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164749279 720801728 /nfs/dbraw/zinc/80/17/28/720801728.db2.gz SXTWWNSCOLYWPK-RBUKOAKNSA-N 1 0 406.465 2.723 20 0 HFADRO c1ccc(SCc2nccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164749813 720802309 /nfs/dbraw/zinc/80/23/09/720802309.db2.gz UOQVMYZWOQSLHL-ROUUACIJSA-N 1 0 420.542 2.901 20 0 HFADRO FC(F)(N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164740885 720805228 /nfs/dbraw/zinc/80/52/28/720805228.db2.gz AQNPXEBPPQJNHW-HOTGVXAUSA-N 1 0 421.879 2.987 20 0 HFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164743388 720808927 /nfs/dbraw/zinc/80/89/27/720808927.db2.gz FSWBSWOJWZWBMJ-ZIFCJYIRSA-N 1 0 409.563 2.971 20 0 HFADRO FC(F)(c1nccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752077 720814326 /nfs/dbraw/zinc/81/43/26/720814326.db2.gz YNZLTLHWRPDLSC-HRCADAONSA-N 1 0 423.899 2.646 20 0 HFADRO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748766 720814629 /nfs/dbraw/zinc/81/46/29/720814629.db2.gz RIZNHILDEWYTSF-SOLBZPMBSA-N 1 0 401.946 2.663 20 0 HFADRO Clc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744873 720814873 /nfs/dbraw/zinc/81/48/73/720814873.db2.gz JEDONFGVZSBGFM-FGTMMUONSA-N 1 0 413.957 2.978 20 0 HFADRO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCC2 ZINC001164740763 720815276 /nfs/dbraw/zinc/81/52/76/720815276.db2.gz AJANACRMBIHCEP-GPMSIDNRSA-N 1 0 413.957 2.590 20 0 HFADRO Clc1cc2[nH]cnc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746542 720835578 /nfs/dbraw/zinc/83/55/78/720835578.db2.gz OJEDVHSRWNXXJP-IIDMSEBBSA-N 1 0 412.929 2.582 20 0 HFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748376 720840527 /nfs/dbraw/zinc/84/05/27/720840527.db2.gz UNOTVBRXVDZXGZ-VAMGGRTRSA-N 1 0 424.549 2.538 20 0 HFADRO c1csc(-c2nccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)n1 ZINC001164750209 720860546 /nfs/dbraw/zinc/86/05/46/720860546.db2.gz ORJVDCWPOHKZAB-KZNAEPCWSA-N 1 0 422.562 2.571 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@@H]2C1 ZINC001164855472 720861169 /nfs/dbraw/zinc/86/11/69/720861169.db2.gz MWMWDWKFOKBZRV-MJGOQNOKSA-N 1 0 408.974 2.504 20 0 HFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164858179 720865129 /nfs/dbraw/zinc/86/51/29/720865129.db2.gz RMMKVPRXJLPMQM-NQIIRXRSSA-N 1 0 413.518 2.585 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164854528 720869315 /nfs/dbraw/zinc/86/93/15/720869315.db2.gz KJQIJAOYARURGI-APWZRJJASA-N 1 0 402.470 2.582 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@@H]2C1 ZINC001164862196 720880423 /nfs/dbraw/zinc/88/04/23/720880423.db2.gz RGAPVUMFSQYDGQ-APWZRJJASA-N 1 0 402.470 2.582 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@H]2C1 ZINC001164862198 720880605 /nfs/dbraw/zinc/88/06/05/720880605.db2.gz RGAPVUMFSQYDGQ-LPHOPBHVSA-N 1 0 402.470 2.582 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@@H]2C1 ZINC001164860443 720881487 /nfs/dbraw/zinc/88/14/87/720881487.db2.gz ONSXUNMIEFICFJ-QZTJIDSGSA-N 1 0 402.926 2.971 20 0 HFADRO CCN(c1ccccc1)c1cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)ncn1 ZINC001164853396 720883930 /nfs/dbraw/zinc/88/39/30/720883930.db2.gz CMOZIVZPXCREJS-PZJWPPBQSA-N 1 0 411.550 2.808 20 0 HFADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)ncn1 ZINC001164853394 720884274 /nfs/dbraw/zinc/88/42/74/720884274.db2.gz CMOZIVZPXCREJS-CTNGQTDRSA-N 1 0 411.550 2.808 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@H]2C1 ZINC001164857406 720885439 /nfs/dbraw/zinc/88/54/39/720885439.db2.gz JNAJPLJGENMEIV-PMACEKPBSA-N 1 0 414.575 2.942 20 0 HFADRO COCc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755949 720887126 /nfs/dbraw/zinc/88/71/26/720887126.db2.gz NQIJYVMVALEGNW-XUZZJYLKSA-N 1 0 423.561 2.773 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4ccccc4F)cc3C)CC[C@H]2C1 ZINC001164853867 720887180 /nfs/dbraw/zinc/88/71/80/720887180.db2.gz DHDMFMBQLGEUOM-LAUBAEHRSA-N 1 0 400.498 2.765 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CC[C@@H]2C1 ZINC001164856742 720887913 /nfs/dbraw/zinc/88/79/13/720887913.db2.gz JDBSONJEFXVHAX-NQIIRXRSSA-N 1 0 400.498 2.765 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3sccc31)CC2 ZINC001164749608 720951339 /nfs/dbraw/zinc/95/13/39/720951339.db2.gz IEWCNOYRWWOKOO-UHFFFAOYSA-N 1 0 405.911 2.792 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164753755 720971386 /nfs/dbraw/zinc/97/13/86/720971386.db2.gz JQSYLIDHRPDZAE-UHFFFAOYSA-N 1 0 417.872 2.869 20 0 HFADRO CCOc1ccc(C(=O)OC)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863534 720972969 /nfs/dbraw/zinc/97/29/69/720972969.db2.gz WBERKGWTCDHROO-HNNXBMFYSA-N 1 0 401.511 2.885 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nnc(Cl)c3c1N(C)CCO3)[C@H]2C ZINC001164859802 720991991 /nfs/dbraw/zinc/99/19/91/720991991.db2.gz MRZYHAPJZWDFML-ZDUSSCGKSA-N 1 0 405.934 2.577 20 0 HFADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869985 721070364 /nfs/dbraw/zinc/07/03/64/721070364.db2.gz VBMQSTVLWWXUJI-HOTGVXAUSA-N 1 0 415.925 2.770 20 0 HFADRO c1ccc(COc2cnnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164864838 721102516 /nfs/dbraw/zinc/10/25/16/721102516.db2.gz GSBWWHNFGNWDEB-JTHBVZDNSA-N 1 0 417.513 2.930 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4COC5(C)C)C[C@@H]3C2)cn1 ZINC001164768363 721103067 /nfs/dbraw/zinc/10/30/67/721103067.db2.gz NAPUBYFOEYHQNP-CABCVRRESA-N 1 0 402.930 2.587 20 0 HFADRO CCOC(=O)/C=C\c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865316 721111399 /nfs/dbraw/zinc/11/13/99/721111399.db2.gz JUWLWMSNFHZUPF-MDCAWNJWSA-N 1 0 408.502 2.533 20 0 HFADRO CCCN(CCC)c1cncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865151 721117081 /nfs/dbraw/zinc/11/70/81/721117081.db2.gz IUAANEQOIUDHFB-NHCUHLMSSA-N 1 0 410.566 2.978 20 0 HFADRO c1ccc(COc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cn2)cc1 ZINC001164863726 721120704 /nfs/dbraw/zinc/12/07/04/721120704.db2.gz DALKTZPPZICYGZ-FGZHOGPDSA-N 1 0 417.513 2.930 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164767329 721129347 /nfs/dbraw/zinc/12/93/47/721129347.db2.gz MUGBWITZOWFZDB-NHCUHLMSSA-N 1 0 404.518 2.747 20 0 HFADRO CC1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164877651 721150410 /nfs/dbraw/zinc/15/04/10/721150410.db2.gz POKVEQCTTURBDF-RTWAWAEBSA-N 1 0 408.550 2.588 20 0 HFADRO COc1cc2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2cc1OC ZINC001164763451 721155920 /nfs/dbraw/zinc/15/59/20/721155920.db2.gz GBQPUVBUEDHUGR-MOPGFXCFSA-N 1 0 407.518 2.944 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876520 721161631 /nfs/dbraw/zinc/16/16/31/721161631.db2.gz MZWOOWGUOXZKBK-LEWJYISDSA-N 1 0 402.502 2.722 20 0 HFADRO COc1cccc(-c2ccnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)c1 ZINC001164773827 721167011 /nfs/dbraw/zinc/16/70/11/721167011.db2.gz XIVVKWLFHOQMST-UXHICEINSA-N 1 0 404.518 2.844 20 0 HFADRO CN(C)c1ccc(-c2ccnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164774374 721178799 /nfs/dbraw/zinc/17/87/99/721178799.db2.gz YTAOVMDRVMRVRI-NHCUHLMSSA-N 1 0 417.561 2.901 20 0 HFADRO COC(=O)c1cc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164873669 721183436 /nfs/dbraw/zinc/18/34/36/721183436.db2.gz JWRAIRQWAPNGLO-IRXDYDNUSA-N 1 0 416.909 2.705 20 0 HFADRO COC(=O)C[C@H](c1ccnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164762732 721190748 /nfs/dbraw/zinc/19/07/48/721190748.db2.gz DMZUGBLZUCURIP-VSKRKVRLSA-N 1 0 423.561 2.830 20 0 HFADRO COc1cc(C)c2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867891 721197136 /nfs/dbraw/zinc/19/71/36/721197136.db2.gz IYMKVDJNZCUMTI-UYAOXDASSA-N 1 0 405.502 2.822 20 0 HFADRO CC1CCN(C(=O)c2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2)CC1 ZINC001164766997 721198173 /nfs/dbraw/zinc/19/81/73/721198173.db2.gz JVEMCBCTVWTSQQ-YADHBBJMSA-N 1 0 422.577 2.646 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@H]3C2)cn1 ZINC001164764287 721206063 /nfs/dbraw/zinc/20/60/63/721206063.db2.gz GZUNHKRVABYRLR-HUUCEWRRSA-N 1 0 422.911 2.855 20 0 HFADRO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2)n1 ZINC001164773824 721223007 /nfs/dbraw/zinc/22/30/07/721223007.db2.gz XFGKEVMIBUPZMX-RBUKOAKNSA-N 1 0 407.522 2.947 20 0 HFADRO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164774450 721223670 /nfs/dbraw/zinc/22/36/70/721223670.db2.gz ZKIOKTLLPMFHAF-VQTJNVASSA-N 1 0 403.534 2.847 20 0 HFADRO COC(=O)c1cccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc21 ZINC001164770816 721225207 /nfs/dbraw/zinc/22/52/07/721225207.db2.gz OOHHQIMOEYBMBA-ZWKOTPCHSA-N 1 0 405.502 2.713 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(c4cnccn4)[C@H]3C2)nc1 ZINC001164769332 721266110 /nfs/dbraw/zinc/26/61/10/721266110.db2.gz XMUMXKINKFCRNG-HKBOAZHASA-N 1 0 408.550 2.903 20 0 HFADRO Cc1nc2sccc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888595 721378998 /nfs/dbraw/zinc/37/89/98/721378998.db2.gz KHBRPCLDRQNONH-LAUBAEHRSA-N 1 0 401.580 2.765 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164888509 721385394 /nfs/dbraw/zinc/38/53/94/721385394.db2.gz JPXUIZBMLTUWMW-KSSFIOAISA-N 1 0 400.354 2.549 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc(C5CC5)n4)C3)O2)CC1 ZINC001164888600 721388483 /nfs/dbraw/zinc/38/84/83/721388483.db2.gz KIYCZTOLXZUJHF-DYESRHJHSA-N 1 0 405.974 2.773 20 0 HFADRO CCOc1ccc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891156 721417794 /nfs/dbraw/zinc/41/77/94/721417794.db2.gz VHVXBLXCTQWIBQ-UWJYYQICSA-N 1 0 408.974 2.899 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895780 721430990 /nfs/dbraw/zinc/43/09/90/721430990.db2.gz PLILZNPFQGAQJK-BEFAXECRSA-N 1 0 412.003 2.617 20 0 HFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccccn2)n1 ZINC001164894288 721432379 /nfs/dbraw/zinc/43/23/79/721432379.db2.gz LJVJPGLAIKTOGR-YKSBVNFPSA-N 1 0 422.577 2.612 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(-c5ccccc5)cn4)C3)O2)CC1 ZINC001164896068 721434238 /nfs/dbraw/zinc/43/42/38/721434238.db2.gz QJYVPWMNXUYENC-ZJSXRUAMSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164896712 721440553 /nfs/dbraw/zinc/44/05/53/721440553.db2.gz RUVAPWGOCJIISZ-XUZZJYLKSA-N 1 0 422.577 2.612 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5c6c([nH]c54)CCC6)C3)O2)CC1 ZINC001164887836 721447888 /nfs/dbraw/zinc/44/78/88/721447888.db2.gz KJPTXFSDIDOXTN-UUOWRZLLSA-N 1 0 409.578 2.817 20 0 HFADRO CCN(C)c1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164784976 721448474 /nfs/dbraw/zinc/44/84/74/721448474.db2.gz FZGPQELHTRAJSK-HXUWFJFHSA-N 1 0 417.598 2.667 20 0 HFADRO CCc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)nc1C ZINC001164886563 721451791 /nfs/dbraw/zinc/45/17/91/721451791.db2.gz HHGYERHFAZIJAC-UWJYYQICSA-N 1 0 407.990 2.766 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cnccc31)CC2 ZINC001164789325 721453072 /nfs/dbraw/zinc/45/30/72/721453072.db2.gz UUAPJJNGKXPTGA-LJQANCHMSA-N 1 0 411.550 2.759 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900113 721510674 /nfs/dbraw/zinc/51/06/74/721510674.db2.gz OFVGJCWIIXBDCF-GOEBONIOSA-N 1 0 420.872 2.788 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nnc2-c2ccccc2)CC3)CC1 ZINC001164794436 721514016 /nfs/dbraw/zinc/51/40/16/721514016.db2.gz PINLSFMZPIQKSN-UHFFFAOYSA-N 1 0 423.952 2.761 20 0 HFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[N@@H+]3C2)c1 ZINC001164902150 721518962 /nfs/dbraw/zinc/51/89/62/721518962.db2.gz ZRDTXIWMTOVVDH-AEFFLSMTSA-N 1 0 422.460 2.882 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCCCC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164794540 721524716 /nfs/dbraw/zinc/52/47/16/721524716.db2.gz FSKWUIHZDUJNAA-TXTKFYIRSA-N 1 0 408.550 2.730 20 0 HFADRO COCCn1ccc2c1ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906406 721538572 /nfs/dbraw/zinc/53/85/72/721538572.db2.gz KZSAJSCXCBYYEK-IEBWSBKVSA-N 1 0 411.481 2.559 20 0 HFADRO CC(C)c1nc(N(C)C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911537 721541536 /nfs/dbraw/zinc/54/15/36/721541536.db2.gz XCOTXHYAYHONDB-FUHWJXTLSA-N 1 0 400.502 2.542 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ccc12 ZINC001164810618 721543033 /nfs/dbraw/zinc/54/30/33/721543033.db2.gz XKUSSDAHVOOXDG-DYXWJJEUSA-N 1 0 421.501 2.613 20 0 HFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncc5ncnc(Cl)c5n4)CC[N@@H+]3C2)c1 ZINC001164910228 721544746 /nfs/dbraw/zinc/54/47/46/721544746.db2.gz TVTXTXYRQDWBPX-DZGCQCFKSA-N 1 0 400.845 2.554 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)cc-2n1 ZINC001164910368 721548654 /nfs/dbraw/zinc/54/86/54/721548654.db2.gz UMIMVTYCHPVIJD-AEFFLSMTSA-N 1 0 410.449 2.831 20 0 HFADRO CCOC(=O)c1ncnc(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908164 721550410 /nfs/dbraw/zinc/55/04/10/721550410.db2.gz PICDRKCGAIBWLA-HOCLYGCPSA-N 1 0 420.872 2.788 20 0 HFADRO COC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1Cl ZINC001164806623 721552729 /nfs/dbraw/zinc/55/27/29/721552729.db2.gz PIGIVJNNFAEYMV-UWVAXJGDSA-N 1 0 416.909 2.785 20 0 HFADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1C ZINC001164801806 721559420 /nfs/dbraw/zinc/55/94/20/721559420.db2.gz HHNVYNMBASBMBY-ONTIZHBOSA-N 1 0 410.518 2.830 20 0 HFADRO CN1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2C1 ZINC001164903554 721564439 /nfs/dbraw/zinc/56/44/39/721564439.db2.gz CHATWEZKYGTUPO-RDJZCZTQSA-N 1 0 417.916 2.599 20 0 HFADRO [O-][n+]1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001164911282 721566975 /nfs/dbraw/zinc/56/69/75/721566975.db2.gz YNIRAFBPPHDNNA-WBVHZDCISA-N 1 0 413.827 2.999 20 0 HFADRO CCNC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164908579 721722741 /nfs/dbraw/zinc/72/27/41/721722741.db2.gz YFVSWCOZXDBOOS-NRFANRHFSA-N 1 0 415.488 2.964 20 0 HFADRO COCCOc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164912770 721725881 /nfs/dbraw/zinc/72/58/81/721725881.db2.gz QABZPWURFZQPOT-HXUWFJFHSA-N 1 0 419.476 2.635 20 0 HFADRO Cc1cc(C(N)=O)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912782 721736242 /nfs/dbraw/zinc/73/62/42/721736242.db2.gz QBQOLHFIRLEPQT-FQEVSTJZSA-N 1 0 401.461 2.622 20 0 HFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026357 721803977 /nfs/dbraw/zinc/80/39/77/721803977.db2.gz QYXKCQAIYIRMOS-QKYXUNIQSA-N 1 0 420.517 2.828 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 ZINC001165022355 721821420 /nfs/dbraw/zinc/82/14/20/721821420.db2.gz GXZLRHQFCHOMEP-LSTHTHJFSA-N 1 0 400.548 2.617 20 0 HFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1 ZINC001164921921 721876425 /nfs/dbraw/zinc/87/64/25/721876425.db2.gz DUFCNIDZVGXXHB-ROUUACIJSA-N 1 0 417.941 2.675 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc(C(=O)N2CCCCC2)cc1Cl ZINC001164935511 721881533 /nfs/dbraw/zinc/88/15/33/721881533.db2.gz XEBUJIBZTIRMAM-RBUKOAKNSA-N 1 0 405.974 2.576 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164936683 721890971 /nfs/dbraw/zinc/89/09/71/721890971.db2.gz ZLUIYACQWCGQFT-RYUDHWBXSA-N 1 0 416.929 2.585 20 0 HFADRO NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165049502 721974183 /nfs/dbraw/zinc/97/41/83/721974183.db2.gz PANJLTTXNZOONL-ZDUSSCGKSA-N 1 0 422.929 2.772 20 0 HFADRO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cc(N4CCSCC4)ncn2)CC3)c1 ZINC001164959872 722023630 /nfs/dbraw/zinc/02/36/30/722023630.db2.gz JGEVJSJNLCBHGY-UHFFFAOYSA-N 1 0 410.591 2.917 20 0 HFADRO Cc1ccc(N2C[C@@]3(CCN(c4cccc(N5CC[NH+](C)CC5)n4)C3)CC2=O)s1 ZINC001164963643 722044115 /nfs/dbraw/zinc/04/41/15/722044115.db2.gz SCKRIOIYMIDRTK-QFIPXVFZSA-N 1 0 411.575 2.837 20 0 HFADRO COc1nc(Cl)nc(C)c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962298 722056295 /nfs/dbraw/zinc/05/62/95/722056295.db2.gz CTPWLESRXWUONP-UHFFFAOYSA-N 1 0 417.941 2.961 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(Cn4cccn4)nnc3C2)nc1 ZINC001164973369 722089142 /nfs/dbraw/zinc/08/91/42/722089142.db2.gz JVGADZYACSZGMK-LJQANCHMSA-N 1 0 406.538 2.875 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977252 722098958 /nfs/dbraw/zinc/09/89/58/722098958.db2.gz FKGVRFONTDBLIA-CTNGQTDRSA-N 1 0 410.518 2.689 20 0 HFADRO COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164984276 722099481 /nfs/dbraw/zinc/09/94/81/722099481.db2.gz RWJZJMXMSHLTOF-QFBILLFUSA-N 1 0 416.909 2.644 20 0 HFADRO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974559 722099937 /nfs/dbraw/zinc/09/99/37/722099937.db2.gz AGOFBYFIXNDYFU-AEFFLSMTSA-N 1 0 416.909 2.644 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C ZINC001164972487 722122582 /nfs/dbraw/zinc/12/25/82/722122582.db2.gz FRYLJFQSSPPORB-CTNGQTDRSA-N 1 0 410.518 2.689 20 0 HFADRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc21 ZINC001164973040 722124864 /nfs/dbraw/zinc/12/48/64/722124864.db2.gz GDJRDZYAJFEYTQ-NQIIRXRSSA-N 1 0 405.502 2.761 20 0 HFADRO Clc1cnc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981986 722125928 /nfs/dbraw/zinc/12/59/28/722125928.db2.gz VLIBYTVZXMBPNS-QFBILLFUSA-N 1 0 410.909 2.801 20 0 HFADRO FC(F)(c1nccnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978066 722136240 /nfs/dbraw/zinc/13/62/40/722136240.db2.gz JMEKBMMCVJWIFY-JKSUJKDBSA-N 1 0 409.868 2.797 20 0 HFADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164992043 722187698 /nfs/dbraw/zinc/18/76/98/722187698.db2.gz RKTWMCWBIMKPKQ-FQEVSTJZSA-N 1 0 400.567 2.779 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001706 722250475 /nfs/dbraw/zinc/25/04/75/722250475.db2.gz SYZDLZPRFOQFPQ-UHFFFAOYSA-N 1 0 421.929 2.597 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc3ccc(Cl)cc3n1)CCC2 ZINC001165002855 722254414 /nfs/dbraw/zinc/25/44/14/722254414.db2.gz UOOUCYXVUYXISE-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO COc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc(C)c2c1 ZINC001165001573 722254506 /nfs/dbraw/zinc/25/45/06/722254506.db2.gz CCSNKQIIMQKQMJ-UHFFFAOYSA-N 1 0 410.522 2.632 20 0 HFADRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2ccncc2)n1 ZINC001165003980 722255842 /nfs/dbraw/zinc/25/58/42/722255842.db2.gz KKIUXJZANCURIP-UHFFFAOYSA-N 1 0 407.522 2.532 20 0 HFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(N3CCCC3)cc[nH+]1)C2 ZINC001165007224 722266255 /nfs/dbraw/zinc/26/62/55/722266255.db2.gz QMNUEBPAGVENRS-QHCPKHFHSA-N 1 0 409.509 2.748 20 0 HFADRO C[C@H](CCNC(=O)C(=O)Nc1cccc(Br)n1)[N@H+](C)Cc1ccccc1 ZINC000792997907 1078044693 /nfs/dbraw/zinc/04/46/93/1078044693.db2.gz NLJSFVXVKCRPLV-CQSZACIVSA-N 1 0 419.323 2.809 20 0 HFADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000793001405 1078045009 /nfs/dbraw/zinc/04/50/09/1078045009.db2.gz MPJYSJFYOBEGPH-UHFFFAOYSA-N 1 0 411.344 2.657 20 0 HFADRO CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000790538449 1078045823 /nfs/dbraw/zinc/04/58/23/1078045823.db2.gz IQVPJVNVHHVFNX-KRWDZBQOSA-N 1 0 419.545 2.880 20 0 HFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793011971 1078048062 /nfs/dbraw/zinc/04/80/62/1078048062.db2.gz JIFNLIUSNMMDJE-UHFFFAOYSA-N 1 0 401.898 2.834 20 0 HFADRO COCCN1[C@H]2CC[N@@H+]([C@H]3CC[C@@H](C)C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001170139015 1078049355 /nfs/dbraw/zinc/04/93/55/1078049355.db2.gz TVGSIFWRMWJHFU-XWSJACJDSA-N 1 0 408.564 2.738 20 0 HFADRO CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)ccc1OC ZINC000790549167 1078053698 /nfs/dbraw/zinc/05/36/98/1078053698.db2.gz YSALZNARDMVUSP-OAQYLSRUSA-N 1 0 412.490 2.943 20 0 HFADRO O=C(N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(F)(F)C1CCOCC1 ZINC000790549084 1078053706 /nfs/dbraw/zinc/05/37/06/1078053706.db2.gz UYBGGOBHMFDMDX-SFHVURJKSA-N 1 0 422.520 2.504 20 0 HFADRO O=C(Nc1cccc(F)n1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000793071640 1078062532 /nfs/dbraw/zinc/06/25/32/1078062532.db2.gz IYJAHVDBAWSNST-VQTJNVASSA-N 1 0 418.472 2.944 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)CC1 ZINC000793054614 1078057409 /nfs/dbraw/zinc/05/74/09/1078057409.db2.gz MROGSDWRKUCXFR-IBGZPJMESA-N 1 0 409.534 2.899 20 0 HFADRO CC(C)n1nccc1CN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000793087300 1078065340 /nfs/dbraw/zinc/06/53/40/1078065340.db2.gz HCCUOWGSNMPFCX-KRWDZBQOSA-N 1 0 407.559 2.850 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000793130244 1078073316 /nfs/dbraw/zinc/07/33/16/1078073316.db2.gz CEFCZFQBFPGOOU-AHRSYUTCSA-N 1 0 410.518 2.569 20 0 HFADRO [NH3+]C[C@@]1(F)CCCN(C(=O)c2cnc(Br)cc2Br)CC1 ZINC001157752851 1078070941 /nfs/dbraw/zinc/07/09/41/1078070941.db2.gz ISKYHNQITGMTHT-CYBMUJFWSA-N 1 0 409.097 2.900 20 0 HFADRO Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000793096254 1078074506 /nfs/dbraw/zinc/07/45/06/1078074506.db2.gz IGBFAYSGSHBCFY-UHFFFAOYSA-N 1 0 416.909 2.771 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cnc(N4CCCC4)nc3)cc2)C1=O ZINC000790612127 1078075473 /nfs/dbraw/zinc/07/54/73/1078075473.db2.gz VQNYFBHCALDSMT-HSZRJFAPSA-N 1 0 420.517 2.592 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 ZINC000790611680 1078075479 /nfs/dbraw/zinc/07/54/79/1078075479.db2.gz ACVASJPHXZHYBY-SFHVURJKSA-N 1 0 421.586 2.655 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000793107974 1078081063 /nfs/dbraw/zinc/08/10/63/1078081063.db2.gz SIKRSMSOAWBZIO-SFHVURJKSA-N 1 0 402.539 2.808 20 0 HFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000790665068 1078083095 /nfs/dbraw/zinc/08/30/95/1078083095.db2.gz YDRUMRDGBFARAF-KRWDZBQOSA-N 1 0 404.555 2.718 20 0 HFADRO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772827115 1078084554 /nfs/dbraw/zinc/08/45/54/1078084554.db2.gz HBZRSNWXUCULGY-RZTXVSJASA-N 1 0 422.573 2.849 20 0 HFADRO COCC1(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793167647 1078089424 /nfs/dbraw/zinc/08/94/24/1078089424.db2.gz HALBZZKMIIFZBK-MSOLQXFVSA-N 1 0 411.587 2.887 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790641710 1078090350 /nfs/dbraw/zinc/09/03/50/1078090350.db2.gz ADNOHFSTNGYDPP-IEBWSBKVSA-N 1 0 418.419 2.984 20 0 HFADRO COC(=O)[C@H](COCc1ccccc1)Nc1ccc(N2CC[NH+](C(C)C)CC2)nc1 ZINC001170142357 1078093341 /nfs/dbraw/zinc/09/33/41/1078093341.db2.gz OVLZMLLUSKKWLK-NRFANRHFSA-N 1 0 412.534 2.782 20 0 HFADRO NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000772828946 1078093667 /nfs/dbraw/zinc/09/36/67/1078093667.db2.gz CVEGLMALKUMDHU-UHFFFAOYSA-N 1 0 422.529 2.860 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)CC1 ZINC000790653982 1078094270 /nfs/dbraw/zinc/09/42/70/1078094270.db2.gz XARUQHFMUZJNRO-LJQANCHMSA-N 1 0 415.559 2.595 20 0 HFADRO O=C1C(=O)N(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2cccc(Br)c21 ZINC000772829446 1078094583 /nfs/dbraw/zinc/09/45/83/1078094583.db2.gz RZKQOEMYYOEACY-XJKSGUPXSA-N 1 0 418.335 2.885 20 0 HFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(F)(F)Cc2ccccc2)CC1 ZINC000793183977 1078096289 /nfs/dbraw/zinc/09/62/89/1078096289.db2.gz VNPVVFAZXBSHSJ-UHFFFAOYSA-N 1 0 409.521 2.807 20 0 HFADRO O=C1C(=O)N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2cccc(Br)c21 ZINC000772829173 1078106462 /nfs/dbraw/zinc/10/64/62/1078106462.db2.gz RZKQOEMYYOEACY-CZUORRHYSA-N 1 0 418.335 2.885 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC000790754497 1078111145 /nfs/dbraw/zinc/11/11/45/1078111145.db2.gz QYWBKCQHDGLVDR-VGUREELVSA-N 1 0 412.550 2.991 20 0 HFADRO COCC1(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793275840 1078116302 /nfs/dbraw/zinc/11/63/02/1078116302.db2.gz PHRAIABWBCANQD-UHFFFAOYSA-N 1 0 411.587 2.983 20 0 HFADRO Cc1cc(C)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1I ZINC000793290817 1078119545 /nfs/dbraw/zinc/11/95/45/1078119545.db2.gz IAFWZSJQCQRUDK-KGLIPLIRSA-N 1 0 414.287 2.501 20 0 HFADRO C[NH+](C)CCCNC(=S)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000793308442 1078124350 /nfs/dbraw/zinc/12/43/50/1078124350.db2.gz RXAXINVNUPJGGP-NQIIRXRSSA-N 1 0 417.550 2.993 20 0 HFADRO C[N@@H+]1CCC[C@H](NC(=O)N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)C1 ZINC000790770528 1078124373 /nfs/dbraw/zinc/12/43/73/1078124373.db2.gz RLIOMNMUBCJRPM-IBGZPJMESA-N 1 0 404.555 2.860 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)ccn1 ZINC000790800623 1078139354 /nfs/dbraw/zinc/13/93/54/1078139354.db2.gz JHSPTADGKPGVMH-WMLDXEAASA-N 1 0 401.338 2.747 20 0 HFADRO CN(C(=O)C(F)(F)C1CCOCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000790819325 1078154540 /nfs/dbraw/zinc/15/45/40/1078154540.db2.gz XCYRKVGPOUJMMW-OALUTQOASA-N 1 0 401.542 2.844 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000793383807 1078161612 /nfs/dbraw/zinc/16/16/12/1078161612.db2.gz JXIBMAKYEHRULL-KZKAQZJJSA-N 1 0 409.530 2.733 20 0 HFADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H](C)C[NH+](CC)CC)c1 ZINC000790880831 1078169439 /nfs/dbraw/zinc/16/94/39/1078169439.db2.gz RNONACHQHLJUCK-GFCCVEGCSA-N 1 0 421.357 2.634 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793476227 1078185946 /nfs/dbraw/zinc/18/59/46/1078185946.db2.gz DJOBRZMKHCBWFU-AABGKKOBSA-N 1 0 410.518 2.569 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793476233 1078185960 /nfs/dbraw/zinc/18/59/60/1078185960.db2.gz DJOBRZMKHCBWFU-VAMGGRTRSA-N 1 0 410.518 2.569 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)CCN(C)C(=O)OCc2ccccc2)CC1 ZINC000793458241 1078192664 /nfs/dbraw/zinc/19/26/64/1078192664.db2.gz HNJVZXSGSDCWHQ-UHFFFAOYSA-N 1 0 405.539 2.651 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)CCC(=O)N2CCOc3ccccc32)cc1 ZINC000793514500 1078196712 /nfs/dbraw/zinc/19/67/12/1078196712.db2.gz DHJRFPGKCVQLPJ-IBGZPJMESA-N 1 0 411.502 2.620 20 0 HFADRO CCN1CC[NH+](CCCCNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793494032 1078201198 /nfs/dbraw/zinc/20/11/98/1078201198.db2.gz RTTJQFFGCKYGER-UHFFFAOYSA-N 1 0 406.568 2.843 20 0 HFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000793534203 1078205774 /nfs/dbraw/zinc/20/57/74/1078205774.db2.gz OPMXHGYMBQEPSF-IAGOWNOFSA-N 1 0 406.470 2.593 20 0 HFADRO O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000793534195 1078205838 /nfs/dbraw/zinc/20/58/38/1078205838.db2.gz OPMXHGYMBQEPSF-DLBZAZTESA-N 1 0 406.470 2.593 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000793534803 1078206033 /nfs/dbraw/zinc/20/60/33/1078206033.db2.gz SCQMETVXPAYXEZ-UHFFFAOYSA-N 1 0 405.536 2.880 20 0 HFADRO COc1ncc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1Cl ZINC000793535299 1078206045 /nfs/dbraw/zinc/20/60/45/1078206045.db2.gz RVDLSXYPUIURRN-SECBINFHSA-N 1 0 401.838 2.708 20 0 HFADRO COc1cc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000793570203 1078212155 /nfs/dbraw/zinc/21/21/55/1078212155.db2.gz PGMCPHGRJIXNML-NORZTCDRSA-N 1 0 409.495 2.500 20 0 HFADRO COCC1(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793577833 1078213208 /nfs/dbraw/zinc/21/32/08/1078213208.db2.gz WKQOEWQDOPXOCB-SJORKVTESA-N 1 0 418.600 2.596 20 0 HFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000793583568 1078214924 /nfs/dbraw/zinc/21/49/24/1078214924.db2.gz GCJSXPFLYSOLHL-QGZVFWFLSA-N 1 0 419.570 2.627 20 0 HFADRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000793608818 1078218486 /nfs/dbraw/zinc/21/84/86/1078218486.db2.gz YBNKPNRBKBVHPX-JOCHJYFZSA-N 1 0 416.522 2.916 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001170435981 1078228939 /nfs/dbraw/zinc/22/89/39/1078228939.db2.gz DIQBQQFFENLVTO-UAFMIMERSA-N 1 0 400.519 2.742 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000793625943 1078231464 /nfs/dbraw/zinc/23/14/64/1078231464.db2.gz WIBQXVQRMXHSLI-FGZHOGPDSA-N 1 0 409.530 2.743 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000793630319 1078233010 /nfs/dbraw/zinc/23/30/10/1078233010.db2.gz KPTSCQHJSCIJTB-MOPGFXCFSA-N 1 0 415.578 2.859 20 0 HFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793635949 1078236286 /nfs/dbraw/zinc/23/62/86/1078236286.db2.gz JDFCQCIIYDOGIB-SIKLNZKXSA-N 1 0 423.557 2.727 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000793635954 1078236298 /nfs/dbraw/zinc/23/62/98/1078236298.db2.gz JFTBBPQCDMVNKB-CVDCTZTESA-N 1 0 423.557 2.946 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000793642200 1078238919 /nfs/dbraw/zinc/23/89/19/1078238919.db2.gz JAABTLKFJGTSJO-QRVBRYPASA-N 1 0 423.557 2.629 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000793651421 1078241410 /nfs/dbraw/zinc/24/14/10/1078241410.db2.gz MTNKVNZSYXACOU-KOSHJBKYSA-N 1 0 409.530 2.527 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000793646531 1078240728 /nfs/dbraw/zinc/24/07/28/1078240728.db2.gz UDCHQWCXFJQEMB-KRWDZBQOSA-N 1 0 401.551 2.517 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000793651137 1078241750 /nfs/dbraw/zinc/24/17/50/1078241750.db2.gz KYUBYIQGTHYCIU-QZTJIDSGSA-N 1 0 409.571 2.735 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000793683243 1078253366 /nfs/dbraw/zinc/25/33/66/1078253366.db2.gz BWBWROIILMEHLD-VAMGGRTRSA-N 1 0 401.551 2.683 20 0 HFADRO CCN(C(=O)C(=O)N[C@H](C)COc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793684930 1078255456 /nfs/dbraw/zinc/25/54/56/1078255456.db2.gz FPOPVRLBPLNPGJ-TZIWHRDSSA-N 1 0 409.530 2.693 20 0 HFADRO CN(CCC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(=O)OCc1ccccc1 ZINC000793686577 1078256554 /nfs/dbraw/zinc/25/65/54/1078256554.db2.gz LWQIZCJJFZZKCV-NHCUHLMSSA-N 1 0 417.550 2.529 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000793715504 1078262066 /nfs/dbraw/zinc/26/20/66/1078262066.db2.gz ZIQSQGPCZWJEQO-DOTOQJQBSA-N 1 0 400.548 2.950 20 0 HFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000793717273 1078263261 /nfs/dbraw/zinc/26/32/61/1078263261.db2.gz ILXDFIVILYNRSD-QFIPXVFZSA-N 1 0 411.521 2.821 20 0 HFADRO Cc1ccc(C2=CCN(C(=O)C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)CC2)cc1 ZINC000793717626 1078263913 /nfs/dbraw/zinc/26/39/13/1078263913.db2.gz IOROYWZRZGEFGE-HSZRJFAPSA-N 1 0 405.542 2.900 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCC1(c2c(F)cccc2F)CCCC1)[NH+]1CCCCC1 ZINC000793721412 1078265134 /nfs/dbraw/zinc/26/51/34/1078265134.db2.gz JIFQLZXDQBONCF-INIZCTEOSA-N 1 0 407.505 2.883 20 0 HFADRO COc1ccc2oc([C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]3CCCCC3)c(C)c2c1 ZINC000793720986 1078265579 /nfs/dbraw/zinc/26/55/79/1078265579.db2.gz RTZSUVCTZZXOIP-HOCLYGCPSA-N 1 0 401.507 2.918 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000793753578 1078278047 /nfs/dbraw/zinc/27/80/47/1078278047.db2.gz ZASYYROJWLLCFD-UHFFFAOYSA-N 1 0 416.519 2.961 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC(c2nc3ccccc3s2)CC1)[NH+]1CCCCC1 ZINC000793699857 1078273536 /nfs/dbraw/zinc/27/35/36/1078273536.db2.gz BLWPMRQXOOZFKH-MRXNPFEDSA-N 1 0 414.575 2.993 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000793705031 1078276120 /nfs/dbraw/zinc/27/61/20/1078276120.db2.gz BYCJZMKFDHNVSH-VPAKFMSCSA-N 1 0 409.571 2.732 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1)[NH+]1CCCCC1 ZINC000793707753 1078277525 /nfs/dbraw/zinc/27/75/25/1078277525.db2.gz KBJQEZSQHGMHSS-GOSISDBHSA-N 1 0 421.541 2.895 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000793740182 1078286741 /nfs/dbraw/zinc/28/67/41/1078286741.db2.gz FZWSDCJVOOSUFN-IRXDYDNUSA-N 1 0 407.580 2.542 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@H](C)C2)cc1C ZINC000793739851 1078286781 /nfs/dbraw/zinc/28/67/81/1078286781.db2.gz FGXFGQLNJWSXGD-LJQANCHMSA-N 1 0 414.594 2.720 20 0 HFADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 ZINC000793741674 1078287364 /nfs/dbraw/zinc/28/73/64/1078287364.db2.gz FLFFMTDSIBEXIP-LJQANCHMSA-N 1 0 422.614 2.649 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000793746306 1078288811 /nfs/dbraw/zinc/28/88/11/1078288811.db2.gz HRBDBIUPPULHGI-DHIUTWEWSA-N 1 0 423.557 2.991 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000793746316 1078288825 /nfs/dbraw/zinc/28/88/25/1078288825.db2.gz FQHWWKLRCQWINX-JSGCOSHPSA-N 1 0 418.579 2.793 20 0 HFADRO CC1CC[NH+]([C@H](CNC(=O)C(=O)NC[C@@H]2CSCCS2)c2ccccc2)CC1 ZINC000793784886 1078294425 /nfs/dbraw/zinc/29/44/25/1078294425.db2.gz NUDAZIIDFPLSJA-RTBURBONSA-N 1 0 421.632 2.541 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000793790819 1078298078 /nfs/dbraw/zinc/29/80/78/1078298078.db2.gz NYBIYSUPRAWQNE-GBESFXJTSA-N 1 0 401.551 2.648 20 0 HFADRO COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)NCc1cccnc1-n1ccnc1C ZINC000793808584 1078305981 /nfs/dbraw/zinc/30/59/81/1078305981.db2.gz VSUBRNHACMYJTI-IBGZPJMESA-N 1 0 419.485 2.564 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793774901 1078308231 /nfs/dbraw/zinc/30/82/31/1078308231.db2.gz XPUPWEOPIFGWBC-IRLDBZIGSA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000793778109 1078309162 /nfs/dbraw/zinc/30/91/62/1078309162.db2.gz JAKHHIPDNAGUSU-LJQANCHMSA-N 1 0 403.567 2.753 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000793846420 1078313261 /nfs/dbraw/zinc/31/32/61/1078313261.db2.gz FQLWVLKTEKEXOU-HOTGVXAUSA-N 1 0 400.548 2.971 20 0 HFADRO CN1CC[NH+](CC2(C)CCN(C(=O)[C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 ZINC000793815852 1078315969 /nfs/dbraw/zinc/31/59/69/1078315969.db2.gz ZNRJSGBIYKBQOI-GOSISDBHSA-N 1 0 422.614 2.508 20 0 HFADRO C[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793826566 1078318641 /nfs/dbraw/zinc/31/86/41/1078318641.db2.gz RLWICRFTEWXRDV-KRWDZBQOSA-N 1 0 401.551 2.600 20 0 HFADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000793878571 1078321547 /nfs/dbraw/zinc/32/15/47/1078321547.db2.gz NPPVDCMUNQROKP-UHFFFAOYSA-N 1 0 412.578 2.685 20 0 HFADRO C[NH+](C)CCOc1ccc(C=CC(=O)N[C@@H](Cc2nnc[nH]2)c2ccccc2)cc1 ZINC000793876623 1078331515 /nfs/dbraw/zinc/33/15/15/1078331515.db2.gz WGCINPLTRFLALT-BGVYSJOJSA-N 1 0 405.502 2.859 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000793909542 1078335151 /nfs/dbraw/zinc/33/51/51/1078335151.db2.gz HRZIAJAMOHGHSE-RDGPPVDQSA-N 1 0 419.566 2.567 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000793953440 1078346097 /nfs/dbraw/zinc/34/60/97/1078346097.db2.gz UYRGRQJFAQPIIJ-MOPGFXCFSA-N 1 0 407.599 2.716 20 0 HFADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000793957347 1078347329 /nfs/dbraw/zinc/34/73/29/1078347329.db2.gz KVDQTYCRJDNLIX-ICSRJNTNSA-N 1 0 409.615 2.961 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)NCC2CC[NH+](C3CC3)CC2)cs1 ZINC000793970056 1078349440 /nfs/dbraw/zinc/34/94/40/1078349440.db2.gz IQBQBSRXMCJISZ-UHFFFAOYSA-N 1 0 408.568 2.815 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000793945084 1078354458 /nfs/dbraw/zinc/35/44/58/1078354458.db2.gz BVNKTITWSBZFDQ-NSHGMRRFSA-N 1 0 407.599 2.667 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001170441663 1078356181 /nfs/dbraw/zinc/35/61/81/1078356181.db2.gz IUXGZPKLNQDAIC-YSTOQKLRSA-N 1 0 416.518 2.627 20 0 HFADRO COC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)cc1 ZINC000794051380 1078366152 /nfs/dbraw/zinc/36/61/52/1078366152.db2.gz PKZBOVFNXAPQCX-QGZVFWFLSA-N 1 0 403.504 2.937 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)ccc1F ZINC000794052004 1078366394 /nfs/dbraw/zinc/36/63/94/1078366394.db2.gz UUAHLZFWPQOAHU-OAHLLOKOSA-N 1 0 406.479 2.684 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001170443288 1078375666 /nfs/dbraw/zinc/37/56/66/1078375666.db2.gz OYXNCFZIGSCMTR-FDDCHVKYSA-N 1 0 410.518 2.989 20 0 HFADRO O=C(NCC[N@H+]1CC=CCC1)c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1 ZINC000794114481 1078374030 /nfs/dbraw/zinc/37/40/30/1078374030.db2.gz FSRKUXCZUIHUDI-UHFFFAOYSA-N 1 0 424.501 2.805 20 0 HFADRO CCn1c(SCC(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)nnc1-c1ccco1 ZINC000794144123 1078377567 /nfs/dbraw/zinc/37/75/67/1078377567.db2.gz MOVGBMXDXUWPRM-OAHLLOKOSA-N 1 0 408.524 2.550 20 0 HFADRO CC1=C(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)n2ncnc2N1C ZINC000794146838 1078377875 /nfs/dbraw/zinc/37/78/75/1078377875.db2.gz HLAGMWIAIBRKLM-QUCCMNQESA-N 1 0 408.550 2.981 20 0 HFADRO CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000794146920 1078378045 /nfs/dbraw/zinc/37/80/45/1078378045.db2.gz KHFPBVFEQYVERK-AZUAARDMSA-N 1 0 415.534 2.892 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CCOC[C@@H]2NC(=O)N(C)C)CC1 ZINC001170443798 1078381102 /nfs/dbraw/zinc/38/11/02/1078381102.db2.gz QAJNQAIEALDOCT-RXVVDRJESA-N 1 0 417.550 2.879 20 0 HFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000794270416 1078397776 /nfs/dbraw/zinc/39/77/76/1078397776.db2.gz FLTQREREMIQLFS-AWEZNQCLSA-N 1 0 401.548 2.753 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001170445532 1078415042 /nfs/dbraw/zinc/41/50/42/1078415042.db2.gz WXWLUJAZNKQXOL-FQEVSTJZSA-N 1 0 424.545 2.795 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330410 1078415705 /nfs/dbraw/zinc/41/57/05/1078415705.db2.gz VZCNNIQSZYRIEC-HOTGVXAUSA-N 1 0 401.548 2.593 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000794404163 1078436420 /nfs/dbraw/zinc/43/64/20/1078436420.db2.gz IHANBZBWQDARBQ-RTBURBONSA-N 1 0 420.554 2.938 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000794404617 1078436656 /nfs/dbraw/zinc/43/66/56/1078436656.db2.gz NWAGASOOMVBZFL-SFHVURJKSA-N 1 0 424.517 2.687 20 0 HFADRO CSC1(CNC(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)CC[NH+](C)CC1 ZINC001129413091 1078445723 /nfs/dbraw/zinc/44/57/23/1078445723.db2.gz BPTRQAKRVPNSCV-GOSISDBHSA-N 1 0 413.591 2.760 20 0 HFADRO C[C@]1(CNC(=O)C(=O)N[C@H]2CCc3c2cccc3O)CC[N@H+](Cc2ccccc2)C1 ZINC000804399810 1078463846 /nfs/dbraw/zinc/46/38/46/1078463846.db2.gz GUTJRURNDNXWLX-GBXCKJPGSA-N 1 0 407.514 2.524 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cccc(Cn3cncn3)c2)c1 ZINC001129438223 1078464429 /nfs/dbraw/zinc/46/44/29/1078464429.db2.gz UVYNRULIKWAFLI-UHFFFAOYSA-N 1 0 406.490 2.859 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418907 1078468855 /nfs/dbraw/zinc/46/88/55/1078468855.db2.gz ZGTPOBJKUNAYOX-PMACEKPBSA-N 1 0 421.969 2.603 20 0 HFADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC001170460644 1078475714 /nfs/dbraw/zinc/47/57/14/1078475714.db2.gz QYIPGWAODUFKPM-BLIXFSHQSA-N 1 0 422.529 2.910 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)C1 ZINC001129800543 1078476844 /nfs/dbraw/zinc/47/68/44/1078476844.db2.gz PLDOIIWLFVOUMN-BBTUJRGHSA-N 1 0 405.539 2.657 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2csc(-c3ccccc3OC)n2)CC1 ZINC001129808227 1078505613 /nfs/dbraw/zinc/50/56/13/1078505613.db2.gz KZOGJXDYGXNNLR-UHFFFAOYSA-N 1 0 402.564 2.965 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC001129808287 1078505684 /nfs/dbraw/zinc/50/56/84/1078505684.db2.gz NOESMTATMQAGED-UHFFFAOYSA-N 1 0 406.568 2.841 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000804441525 1078507503 /nfs/dbraw/zinc/50/75/03/1078507503.db2.gz MXLVLKVYKRWSHR-UHFFFAOYSA-N 1 0 403.552 2.577 20 0 HFADRO C[NH+](C)CC(C)(C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC001129489828 1078509745 /nfs/dbraw/zinc/50/97/45/1078509745.db2.gz GKLHDKOALHLCHJ-CQSZACIVSA-N 1 0 415.321 2.655 20 0 HFADRO CC[C@H](C)CC[C@H](O)CC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804449000 1078515972 /nfs/dbraw/zinc/51/59/72/1078515972.db2.gz SXSSTALXIOCVKV-WWNPGLIZSA-N 1 0 401.595 2.982 20 0 HFADRO Cc1c(C(=O)N[C@@H](C)[C@@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000804475788 1078518889 /nfs/dbraw/zinc/51/88/89/1078518889.db2.gz HUPCYIOJUIAXOY-QMHKHESXSA-N 1 0 419.529 2.724 20 0 HFADRO CC(C)Cc1ccc([C@H](C)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC001129850856 1078533497 /nfs/dbraw/zinc/53/34/97/1078533497.db2.gz KDFKDELJVLFDGV-FQEVSTJZSA-N 1 0 401.595 2.901 20 0 HFADRO Cc1c(Br)cnn1CC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129802123 1078526564 /nfs/dbraw/zinc/52/65/64/1078526564.db2.gz ZVCRSPBTLLJUDG-UHFFFAOYSA-N 1 0 411.266 2.829 20 0 HFADRO C[NH+]1CCC(CNC(=O)C2(Cc3cccc(Cl)c3)CC2)(N2CCOCC2)CC1 ZINC001129847378 1078530679 /nfs/dbraw/zinc/53/06/79/1078530679.db2.gz GFMWGZWJNDQVAQ-UHFFFAOYSA-N 1 0 405.970 2.576 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1 ZINC000804695259 1078536409 /nfs/dbraw/zinc/53/64/09/1078536409.db2.gz FQHIVUDBDXJGJT-DZOHQFGASA-N 1 0 421.632 2.728 20 0 HFADRO Cc1csc([C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000804500803 1078555196 /nfs/dbraw/zinc/55/51/96/1078555196.db2.gz QGQXTGKSHCPMPX-IERDGZPVSA-N 1 0 400.548 2.657 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000804523504 1078562534 /nfs/dbraw/zinc/56/25/34/1078562534.db2.gz UHONMPRKRULLCC-LSDHHAIUSA-N 1 0 408.568 2.909 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000804523501 1078562569 /nfs/dbraw/zinc/56/25/69/1078562569.db2.gz UHONMPRKRULLCC-CABCVRRESA-N 1 0 408.568 2.909 20 0 HFADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001129571754 1078564712 /nfs/dbraw/zinc/56/47/12/1078564712.db2.gz LQILVBDIZVUTCT-ZWKOTPCHSA-N 1 0 414.550 2.840 20 0 HFADRO C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1)c1ccccc1 ZINC001129903676 1078576115 /nfs/dbraw/zinc/57/61/15/1078576115.db2.gz AXCYWFZGXUSEOX-PXNSSMCTSA-N 1 0 415.559 2.892 20 0 HFADRO COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001129905750 1078577383 /nfs/dbraw/zinc/57/73/83/1078577383.db2.gz PGOXPCQAYWNXKY-WAIKUNEKSA-N 1 0 417.550 2.914 20 0 HFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001129905963 1078578071 /nfs/dbraw/zinc/57/80/71/1078578071.db2.gz UBSURRKDECRYNW-LLVKDONJSA-N 1 0 412.719 2.849 20 0 HFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)nn1-c1ncccc1Cl ZINC001129905964 1078578109 /nfs/dbraw/zinc/57/81/09/1078578109.db2.gz UBSURRKDECRYNW-NSHDSACASA-N 1 0 412.719 2.849 20 0 HFADRO COCCOc1cn(-c2ccccc2)nc1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC001129914205 1078583201 /nfs/dbraw/zinc/58/32/01/1078583201.db2.gz ODJGUKWLDSWFOO-UHFFFAOYSA-N 1 0 400.523 2.844 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+]CCNC(=O)N2CCOCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170465576 1078596043 /nfs/dbraw/zinc/59/60/43/1078596043.db2.gz PXTIWFJVVHPZFN-NNZMDNLPSA-N 1 0 412.575 2.575 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C ZINC000804565875 1078601541 /nfs/dbraw/zinc/60/15/41/1078601541.db2.gz HCRZYWUMPFZFRF-FXBPSFAMSA-N 1 0 412.538 2.713 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804776020 1078601904 /nfs/dbraw/zinc/60/19/04/1078601904.db2.gz UBQYEPSXRCIPOS-UFYCRDLUSA-N 1 0 410.518 2.569 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000804777459 1078602322 /nfs/dbraw/zinc/60/23/22/1078602322.db2.gz FSVSIDHJCBYKLY-INIZCTEOSA-N 1 0 413.971 2.729 20 0 HFADRO O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001129665813 1078625857 /nfs/dbraw/zinc/62/58/57/1078625857.db2.gz MPMYEESHVHWTOU-AWEZNQCLSA-N 1 0 424.935 2.519 20 0 HFADRO COC[C@]1(C(=O)NCc2ccc3c[nH+]cn3c2)CCCCN1C(=O)OC(C)(C)C ZINC001129668077 1078627399 /nfs/dbraw/zinc/62/73/99/1078627399.db2.gz JYPOXCIYBZQUIE-NRFANRHFSA-N 1 0 402.495 2.757 20 0 HFADRO O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001129670456 1078629636 /nfs/dbraw/zinc/62/96/36/1078629636.db2.gz XWODQGKWVSJYQP-KRWDZBQOSA-N 1 0 414.412 2.857 20 0 HFADRO CCC1([NH+]2CCCC2)CCN(C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)CC1 ZINC001170467681 1078634386 /nfs/dbraw/zinc/63/43/86/1078634386.db2.gz KPDKNPLBPHQYNJ-INIZCTEOSA-N 1 0 408.568 2.910 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccnc2OCc2ccccc2F)CC1 ZINC001129962002 1078635953 /nfs/dbraw/zinc/63/59/53/1078635953.db2.gz LATYRMDWHQZUNO-UHFFFAOYSA-N 1 0 414.525 2.946 20 0 HFADRO CCC1([NH+]2CCCC2)CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)CC1 ZINC001170468008 1078646506 /nfs/dbraw/zinc/64/65/06/1078646506.db2.gz NGQJGJRIRQPVAF-UHFFFAOYSA-N 1 0 409.534 2.550 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000804830058 1078670801 /nfs/dbraw/zinc/67/08/01/1078670801.db2.gz OHGRPYJIAIPBLR-IEBWSBKVSA-N 1 0 400.567 2.528 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000804828239 1078668201 /nfs/dbraw/zinc/66/82/01/1078668201.db2.gz LGTNGSXNICHFSF-HXUWFJFHSA-N 1 0 414.594 2.729 20 0 HFADRO CC[NH+]1CCC(N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)CC1 ZINC000747217989 1078671391 /nfs/dbraw/zinc/67/13/91/1078671391.db2.gz NLMHQUIOVGDXRK-UHFFFAOYSA-N 1 0 403.552 2.575 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000804832812 1078672320 /nfs/dbraw/zinc/67/23/20/1078672320.db2.gz VTNNZWCVJIWASD-WIYYLYMNSA-N 1 0 408.546 2.538 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804644638 1078697127 /nfs/dbraw/zinc/69/71/27/1078697127.db2.gz MNJBSJFAJRROJS-SIKLNZKXSA-N 1 0 422.573 2.928 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(F)cccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000804644049 1078698313 /nfs/dbraw/zinc/69/83/13/1078698313.db2.gz AGCJTHDABCDXDQ-XLIONFOSSA-N 1 0 409.505 2.880 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2F)CC1 ZINC000747221056 1078706415 /nfs/dbraw/zinc/70/64/15/1078706415.db2.gz WKNYEKZAWMGWSX-FQEVSTJZSA-N 1 0 412.513 2.754 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)Cc3cccc4ncccc34)cc2)CC1 ZINC001129742647 1078714965 /nfs/dbraw/zinc/71/49/65/1078714965.db2.gz NGVRYPCEKRVAJM-UHFFFAOYSA-N 1 0 416.525 2.791 20 0 HFADRO CC(C)c1cc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc(=O)[nH]1 ZINC001129742774 1078715770 /nfs/dbraw/zinc/71/57/70/1078715770.db2.gz RXIGPYMJWXECQO-UHFFFAOYSA-N 1 0 410.518 2.538 20 0 HFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)COc1cccnc1 ZINC001129975946 1078719971 /nfs/dbraw/zinc/71/99/71/1078719971.db2.gz QWUZJADRSBGPBJ-UHFFFAOYSA-N 1 0 407.312 2.859 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)CC1 ZINC000804943835 1078770134 /nfs/dbraw/zinc/77/01/34/1078770134.db2.gz JDPLDLARLUQEIZ-GCJKJVERSA-N 1 0 421.541 2.838 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000804944046 1078772268 /nfs/dbraw/zinc/77/22/68/1078772268.db2.gz QLJYNXWDBAKDEQ-MRXNPFEDSA-N 1 0 414.937 2.736 20 0 HFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804954631 1078795997 /nfs/dbraw/zinc/79/59/97/1078795997.db2.gz GAPWTHZAIPJLBA-QAETUUGQSA-N 1 0 420.520 2.986 20 0 HFADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccccc1CSC1=NCCS1 ZINC000747224129 1078820319 /nfs/dbraw/zinc/82/03/19/1078820319.db2.gz UUMOIRZHUVFJEJ-UHFFFAOYSA-N 1 0 406.621 2.732 20 0 HFADRO C[C@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc[nH]1 ZINC000805018630 1078829936 /nfs/dbraw/zinc/82/99/36/1078829936.db2.gz PYINDOWDSFCTPO-HNNXBMFYSA-N 1 0 402.926 2.874 20 0 HFADRO Cc1nc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)c(Br)n1C ZINC000805029111 1078842980 /nfs/dbraw/zinc/84/29/80/1078842980.db2.gz OEFQZAWVDZUYAZ-UHFFFAOYSA-N 1 0 419.389 2.566 20 0 HFADRO O=S(=O)(Cc1ccccc1Br)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000805006034 1078851904 /nfs/dbraw/zinc/85/19/04/1078851904.db2.gz WQDHVRUVTFBKEC-MRXNPFEDSA-N 1 0 417.369 2.512 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)NC)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170473962 1078853332 /nfs/dbraw/zinc/85/33/32/1078853332.db2.gz HAZWYFFJDLIFON-LDLYASANSA-N 1 0 410.603 2.743 20 0 HFADRO CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000805054997 1078867168 /nfs/dbraw/zinc/86/71/68/1078867168.db2.gz RHHGALADKWWWAD-JOCHJYFZSA-N 1 0 402.539 2.819 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000805070267 1078879486 /nfs/dbraw/zinc/87/94/86/1078879486.db2.gz IPPVKOQWLWFCCE-YJBOKZPZSA-N 1 0 401.429 2.735 20 0 HFADRO CC(C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130057621 1078880961 /nfs/dbraw/zinc/88/09/61/1078880961.db2.gz JDOBFPHGNOLHMD-ROUUACIJSA-N 1 0 411.468 2.909 20 0 HFADRO CC(C)N(C(=O)CC1CCN(S(C)(=O)=O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130058312 1078881844 /nfs/dbraw/zinc/88/18/44/1078881844.db2.gz YVFKQCXJGIEWOA-OAQYLSRUSA-N 1 0 421.607 2.560 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000805100045 1078886050 /nfs/dbraw/zinc/88/60/50/1078886050.db2.gz RCFTZVRQLXOJMK-UTKZUKDTSA-N 1 0 412.575 2.576 20 0 HFADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1Br ZINC000805110849 1078895129 /nfs/dbraw/zinc/89/51/29/1078895129.db2.gz LESNBEKLQGWOKT-YVEFUNNKSA-N 1 0 415.353 2.899 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1Cl ZINC000805112646 1078897740 /nfs/dbraw/zinc/89/77/40/1078897740.db2.gz CHCJCFCAACEDCB-NWDGAFQWSA-N 1 0 406.957 2.744 20 0 HFADRO CCc1ccc(N2C[C@@H](C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)CC2=O)cc1 ZINC000747230888 1078945144 /nfs/dbraw/zinc/94/51/44/1078945144.db2.gz ZRUSOYKRMXDELG-NRFANRHFSA-N 1 0 413.562 2.563 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000747232078 1078956554 /nfs/dbraw/zinc/95/65/54/1078956554.db2.gz QZQAAUHDJBMNHZ-TUNNFDKTSA-N 1 0 406.482 2.734 20 0 HFADRO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001130125065 1078975450 /nfs/dbraw/zinc/97/54/50/1078975450.db2.gz VOMNFIXIJSDSAY-YJMBLLCNSA-N 1 0 412.578 2.939 20 0 HFADRO Cc1ccc(N2CCN(C(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)CC2=O)cc1 ZINC000805224832 1078992636 /nfs/dbraw/zinc/99/26/36/1078992636.db2.gz YYWSGLHIMRFRTG-LJQANCHMSA-N 1 0 421.545 2.974 20 0 HFADRO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000747236372 1078993374 /nfs/dbraw/zinc/99/33/74/1078993374.db2.gz LYWXUHFXRYPOAI-IAGOWNOFSA-N 1 0 408.424 2.793 20 0 HFADRO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001130138897 1079007381 /nfs/dbraw/zinc/00/73/81/1079007381.db2.gz INRNPDVNJIBWBW-MELADBBJSA-N 1 0 418.563 2.802 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000805331251 1079021648 /nfs/dbraw/zinc/02/16/48/1079021648.db2.gz IPVCCXGGPIAWIA-CJNGLKHVSA-N 1 0 405.955 2.972 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2=NN(CC(C)C)C(=O)CC2)c1 ZINC000805312729 1079032915 /nfs/dbraw/zinc/03/29/15/1079032915.db2.gz VWTVXWKHQRCPAL-UHFFFAOYSA-N 1 0 401.511 2.540 20 0 HFADRO CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001130179977 1079039842 /nfs/dbraw/zinc/03/98/42/1079039842.db2.gz YVQJEDJNMPWYSH-HSZRJFAPSA-N 1 0 423.557 2.649 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCCCCC2)c(Cl)cc1Cl ZINC000747239649 1079052166 /nfs/dbraw/zinc/05/21/66/1079052166.db2.gz ONVZJQUAFJRPKT-UHFFFAOYSA-N 1 0 409.335 2.934 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000747247139 1079104479 /nfs/dbraw/zinc/10/44/79/1079104479.db2.gz IPYWQLSIBJCVPW-UONOGXRCSA-N 1 0 407.319 2.685 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C)CC2)ccc1F ZINC000747249045 1079115472 /nfs/dbraw/zinc/11/54/72/1079115472.db2.gz QXUQJUUAGPGPPA-UHFFFAOYSA-N 1 0 420.506 2.864 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCOc2ccc(SC)cc2)CC1=O ZINC000805542174 1079131024 /nfs/dbraw/zinc/13/10/24/1079131024.db2.gz IGBMAGFGZZWRCD-IRXDYDNUSA-N 1 0 406.548 2.663 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c(Cl)cc1Cl ZINC000747249800 1079146632 /nfs/dbraw/zinc/14/66/32/1079146632.db2.gz YBZQWRKQEVFLRU-NSHDSACASA-N 1 0 409.335 2.790 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1 ZINC000747250067 1079146770 /nfs/dbraw/zinc/14/67/70/1079146770.db2.gz HQGCPCCJNXPCDY-WQLSENKSSA-N 1 0 406.504 2.527 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000747262521 1079202538 /nfs/dbraw/zinc/20/25/38/1079202538.db2.gz VTTQNRISPKTOCX-KAMYIIQDSA-N 1 0 402.516 2.755 20 0 HFADRO CC[C@H]1CN(C(=O)NCC2CCN(C(=O)OC)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000805833824 1079272375 /nfs/dbraw/zinc/27/23/75/1079272375.db2.gz HFHDKSQUTFQJSS-FQEVSTJZSA-N 1 0 402.539 2.771 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000747267505 1079267294 /nfs/dbraw/zinc/26/72/94/1079267294.db2.gz PBFXYYYERDNJDM-AUWJEWJLSA-N 1 0 418.515 2.638 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Cl)cc1Cl ZINC000747269343 1079276808 /nfs/dbraw/zinc/27/68/08/1079276808.db2.gz MZLNSUGKDLBSGL-NSHDSACASA-N 1 0 407.319 2.543 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000805817560 1079290039 /nfs/dbraw/zinc/29/00/39/1079290039.db2.gz SHSHDIHIVOSFCZ-UHFFFAOYSA-N 1 0 418.538 2.899 20 0 HFADRO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)c(C)c1OC ZINC000805830689 1079299468 /nfs/dbraw/zinc/29/94/68/1079299468.db2.gz MYSYGQCYEBEUHJ-YCRPNKLZSA-N 1 0 407.532 2.974 20 0 HFADRO COC[C@@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000805858802 1079305292 /nfs/dbraw/zinc/30/52/92/1079305292.db2.gz HRSRGVWQZXMAJA-GCJKJVERSA-N 1 0 424.586 2.672 20 0 HFADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000805868639 1079311226 /nfs/dbraw/zinc/31/12/26/1079311226.db2.gz IYZZJWVVLMYFOB-UHFFFAOYSA-N 1 0 422.572 2.560 20 0 HFADRO O=C1OCCN1CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491844 1079333404 /nfs/dbraw/zinc/33/34/04/1079333404.db2.gz ZBEPEIBFNUOXJF-CQSZACIVSA-N 1 0 400.260 2.608 20 0 HFADRO COC(=O)[C@]1(NC(=O)COCc2ccc(C)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130444508 1079345085 /nfs/dbraw/zinc/34/50/85/1079345085.db2.gz DNWJGKSYHLSLBB-DEOSSOPVSA-N 1 0 410.514 2.836 20 0 HFADRO C[C@@H](OCC(=O)OC[C@@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1)c1nccn1C ZINC000805923762 1079353469 /nfs/dbraw/zinc/35/34/69/1079353469.db2.gz PRFNAIFXYHMPGS-MJGOQNOKSA-N 1 0 401.507 2.721 20 0 HFADRO CCOC(=O)c1cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cnc1C ZINC001170496438 1079396209 /nfs/dbraw/zinc/39/62/09/1079396209.db2.gz ROQIAOLGLOIOMQ-FAEJEUNOSA-N 1 0 410.518 2.938 20 0 HFADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806134647 1079435025 /nfs/dbraw/zinc/43/50/25/1079435025.db2.gz MHGSJUYDOPVWQW-YJBOKZPZSA-N 1 0 421.950 2.969 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001130523598 1079459077 /nfs/dbraw/zinc/45/90/77/1079459077.db2.gz GBIIMIYLZQIARZ-UHFFFAOYSA-N 1 0 409.596 2.959 20 0 HFADRO C[C@H]1CCn2ncc(C(=O)Nc3ccc(OCCCN4CC[NH+](C)CC4)cc3)c2C1 ZINC001130542519 1079463356 /nfs/dbraw/zinc/46/33/56/1079463356.db2.gz XSNQFHGBHPZRNV-SFHVURJKSA-N 1 0 411.550 2.734 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000806173315 1079463641 /nfs/dbraw/zinc/46/36/41/1079463641.db2.gz HWLBHKHVHCAPMJ-BRSBDYLESA-N 1 0 400.585 2.969 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000806169062 1079475832 /nfs/dbraw/zinc/47/58/32/1079475832.db2.gz APUWAXYFXJSILS-GOSISDBHSA-N 1 0 417.554 2.913 20 0 HFADRO CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000806182991 1079477203 /nfs/dbraw/zinc/47/72/03/1079477203.db2.gz IYOVEFGHGGFIOW-ABHNRTSZSA-N 1 0 423.579 2.875 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806183923 1079477507 /nfs/dbraw/zinc/47/75/07/1079477507.db2.gz ZFQBUZOEHIWCHK-AOIWGVFYSA-N 1 0 423.579 2.685 20 0 HFADRO C[C@@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551706 1079478324 /nfs/dbraw/zinc/47/83/24/1079478324.db2.gz OAGLIADSVXLINB-OCCSQVGLSA-N 1 0 404.864 2.852 20 0 HFADRO COc1cc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)ccc1S(=O)(=O)C(F)F ZINC000806179029 1079498483 /nfs/dbraw/zinc/49/84/83/1079498483.db2.gz NYBBFLLWCUJKMD-DOMZBBRYSA-N 1 0 400.447 2.513 20 0 HFADRO Cc1nnc(CNC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)o1 ZINC000806251909 1079501416 /nfs/dbraw/zinc/50/14/16/1079501416.db2.gz MPXAWQYVKDPTDP-UHFFFAOYSA-N 1 0 400.483 2.904 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335861 1076747183 /nfs/dbraw/zinc/74/71/83/1076747183.db2.gz VWOARKMIXJMFFG-SQNIBIBYSA-N 1 0 424.586 2.669 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300867 1076748754 /nfs/dbraw/zinc/74/87/54/1076748754.db2.gz WLWZRTPYTRJBJK-ZZYHAFTGSA-N 1 0 424.589 2.670 20 0 HFADRO C[C@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000787312323 1076758480 /nfs/dbraw/zinc/75/84/80/1076758480.db2.gz LMSTXIVBJQZTJG-SFHVURJKSA-N 1 0 414.550 2.985 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787377446 1076779513 /nfs/dbraw/zinc/77/95/13/1076779513.db2.gz NQRVWXYHTABTRC-JKSUJKDBSA-N 1 0 405.543 2.738 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](Cc4cnn(C)c4)C3)cc2)C[C@H](C)O1 ZINC000746679115 1076795438 /nfs/dbraw/zinc/79/54/38/1076795438.db2.gz OAVCRJANBZCFNQ-CEXWTWQISA-N 1 0 411.550 2.537 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)[C@H](C)C1 ZINC000787387546 1076804447 /nfs/dbraw/zinc/80/44/47/1076804447.db2.gz MMVMTQPGLHURHS-GJYPPUQNSA-N 1 0 419.570 2.936 20 0 HFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393182 1076806089 /nfs/dbraw/zinc/80/60/89/1076806089.db2.gz GUXYVPXYHCASNF-CVEARBPZSA-N 1 0 405.543 2.548 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000787406161 1076809577 /nfs/dbraw/zinc/80/95/77/1076809577.db2.gz GGBAOFFMZLGGFS-UHFFFAOYSA-N 1 0 411.446 2.794 20 0 HFADRO [NH3+]CCN(c1ccc(-c2csnn2)cc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170073332 1076818308 /nfs/dbraw/zinc/81/83/08/1076818308.db2.gz KBPSVTAYGYYZRD-UHFFFAOYSA-N 1 0 411.512 2.907 20 0 HFADRO COc1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c(C)c1OC ZINC001170073862 1076825344 /nfs/dbraw/zinc/82/53/44/1076825344.db2.gz ORRDZSMVUWKMRJ-UHFFFAOYSA-N 1 0 401.488 2.714 20 0 HFADRO CCOCc1ccccc1CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787513562 1076831878 /nfs/dbraw/zinc/83/18/78/1076831878.db2.gz KZLVKCWDRNFFFV-VWLOTQADSA-N 1 0 423.557 2.868 20 0 HFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000787483557 1076842136 /nfs/dbraw/zinc/84/21/36/1076842136.db2.gz QWBCZXRDYVTHES-OALUTQOASA-N 1 0 412.578 2.910 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000787533363 1076851166 /nfs/dbraw/zinc/85/11/66/1076851166.db2.gz PZGBHGRLWAOIEP-UHFFFAOYSA-N 1 0 401.960 2.538 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000787592204 1076862517 /nfs/dbraw/zinc/86/25/17/1076862517.db2.gz QZDABQNGCOKIOE-HXUWFJFHSA-N 1 0 419.541 2.637 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2nc(C)ncc21)c1ccsc1 ZINC000787617847 1076880419 /nfs/dbraw/zinc/88/04/19/1076880419.db2.gz UBNIZYQNFCJVID-RTBURBONSA-N 1 0 415.563 2.539 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000787625915 1076882646 /nfs/dbraw/zinc/88/26/46/1076882646.db2.gz JVEDQUZTOVXVLU-UHFFFAOYSA-N 1 0 422.573 2.712 20 0 HFADRO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000787720455 1076907521 /nfs/dbraw/zinc/90/75/21/1076907521.db2.gz YISRFEFWWGJYBT-UHFFFAOYSA-N 1 0 404.470 2.560 20 0 HFADRO Cc1ccccc1C[NH+]1CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787690432 1076912809 /nfs/dbraw/zinc/91/28/09/1076912809.db2.gz YKDZEVOVPGDIFX-NFBKMPQASA-N 1 0 403.567 2.873 20 0 HFADRO CC(C)COC(=O)N1CCC[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787706679 1076920441 /nfs/dbraw/zinc/92/04/41/1076920441.db2.gz CATMPABONVDTQG-UWJYYQICSA-N 1 0 413.559 2.547 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752531 1076926744 /nfs/dbraw/zinc/92/67/44/1076926744.db2.gz VPBFAUWFIYKNMY-XZOQPEGZSA-N 1 0 423.557 2.830 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752529 1076926842 /nfs/dbraw/zinc/92/68/42/1076926842.db2.gz VPBFAUWFIYKNMY-GOTSBHOMSA-N 1 0 423.557 2.830 20 0 HFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000787751928 1076927059 /nfs/dbraw/zinc/92/70/59/1076927059.db2.gz QTTXTPBRDDJRPY-OXJNMPFZSA-N 1 0 421.969 2.603 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@H]2COc3cc(OC)ccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787766517 1076931314 /nfs/dbraw/zinc/93/13/14/1076931314.db2.gz UKOJRPPMVXQBJQ-AYBZRNKSSA-N 1 0 420.506 2.529 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000787765035 1076931369 /nfs/dbraw/zinc/93/13/69/1076931369.db2.gz SWUIBROTVUIQRL-UHFFFAOYSA-N 1 0 408.502 2.895 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787734669 1076935203 /nfs/dbraw/zinc/93/52/03/1076935203.db2.gz COXVLEQGOVHQDU-UGKGYDQZSA-N 1 0 409.530 2.914 20 0 HFADRO CC(C)[C@H](OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000772708087 1076956145 /nfs/dbraw/zinc/95/61/45/1076956145.db2.gz CENVWNKDAUQZPS-FQEVSTJZSA-N 1 0 402.535 2.715 20 0 HFADRO COc1cc([C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)ccc1OC(C)C ZINC000787869300 1076966620 /nfs/dbraw/zinc/96/66/20/1076966620.db2.gz BAQARPIWJKNDDH-SJORKVTESA-N 1 0 405.539 2.650 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)cc1 ZINC000787880249 1076974652 /nfs/dbraw/zinc/97/46/52/1076974652.db2.gz QNPQTPFURQXMDR-UHFFFAOYSA-N 1 0 424.501 2.740 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000787893439 1076980846 /nfs/dbraw/zinc/98/08/46/1076980846.db2.gz FJTVEJNHTOHRBY-JOCHJYFZSA-N 1 0 415.578 2.899 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000787903439 1076988022 /nfs/dbraw/zinc/98/80/22/1076988022.db2.gz LHUWIWUXTRYDJT-OAQYLSRUSA-N 1 0 414.594 2.805 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000787903851 1076988938 /nfs/dbraw/zinc/98/89/38/1076988938.db2.gz OIMZKKJQCZCIJY-LJQANCHMSA-N 1 0 423.561 2.528 20 0 HFADRO CCc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000787913597 1076992679 /nfs/dbraw/zinc/99/26/79/1076992679.db2.gz WJTBPSKKMATLBH-HXUWFJFHSA-N 1 0 414.594 2.526 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000787913043 1076992905 /nfs/dbraw/zinc/99/29/05/1076992905.db2.gz UXRUQPUEZJIKLE-LEWJYISDSA-N 1 0 414.594 2.708 20 0 HFADRO COc1cc(CN2CC[C@H]([NH2+]Cc3cnc(C4OCCO4)s3)C2)cc(OC)c1 ZINC000787925057 1076999304 /nfs/dbraw/zinc/99/93/04/1076999304.db2.gz MIDUBTAPHAWZHO-HNNXBMFYSA-N 1 0 405.520 2.570 20 0 HFADRO COc1cc(CN2CC[C@@H]([NH2+]Cc3cnc(C4OCCO4)s3)C2)cc(OC)c1 ZINC000787925060 1076999360 /nfs/dbraw/zinc/99/93/60/1076999360.db2.gz MIDUBTAPHAWZHO-OAHLLOKOSA-N 1 0 405.520 2.570 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000787895174 1077002764 /nfs/dbraw/zinc/00/27/64/1077002764.db2.gz VZOQIPABTSEXRI-QHCPKHFHSA-N 1 0 413.493 2.726 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000787962444 1077010363 /nfs/dbraw/zinc/01/03/63/1077010363.db2.gz PAVOOHREDLPLOU-DVECYGJZSA-N 1 0 409.530 2.842 20 0 HFADRO CN(C(=O)COC(=O)c1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCCc2ccccc21 ZINC000787969046 1077011984 /nfs/dbraw/zinc/01/19/84/1077011984.db2.gz YLUWESLYQUPWFD-HXUWFJFHSA-N 1 0 411.502 2.715 20 0 HFADRO C[C@@H](Cc1ccco1)NC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000787944281 1077019613 /nfs/dbraw/zinc/01/96/13/1077019613.db2.gz YVRFADXVFCBBAG-GUYCJALGSA-N 1 0 411.424 2.765 20 0 HFADRO COc1ccc(OC)c2c1CN(C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C[C@@H]2O ZINC000788011476 1077027987 /nfs/dbraw/zinc/02/79/87/1077027987.db2.gz JSYXXIGZMYWWKM-CTNGQTDRSA-N 1 0 412.530 2.844 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2C)C1 ZINC000746728313 1077063405 /nfs/dbraw/zinc/06/34/05/1077063405.db2.gz ILIPCTIHXWXREJ-QGZVFWFLSA-N 1 0 404.511 2.916 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cc(N3CCOC3=O)ccc2C)C1 ZINC000746728682 1077069173 /nfs/dbraw/zinc/06/91/73/1077069173.db2.gz IWRISNUTSIGRKZ-GOSISDBHSA-N 1 0 404.511 2.916 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnc(Br)c(OC)c2)[C@H](C)C1 ZINC000788222042 1077082594 /nfs/dbraw/zinc/08/25/94/1077082594.db2.gz HIRKKHDGICVCMM-UKRRQHHQSA-N 1 0 414.344 2.720 20 0 HFADRO CC(C)CCC[C@@H](C)[N@@H+]1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001170083744 1077090383 /nfs/dbraw/zinc/09/03/83/1077090383.db2.gz YZAXHCMTXPOVIM-PBASOCQRSA-N 1 0 407.580 2.654 20 0 HFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C ZINC000788280808 1077096785 /nfs/dbraw/zinc/09/67/85/1077096785.db2.gz JFQVJUBDXGEBGT-KRWDZBQOSA-N 1 0 412.538 2.600 20 0 HFADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)NOC[C@@H]2CCOC2)cc1 ZINC000788287565 1077098414 /nfs/dbraw/zinc/09/84/14/1077098414.db2.gz UXCSKDFOEUDWNG-QGZVFWFLSA-N 1 0 404.511 2.981 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000788428423 1077143389 /nfs/dbraw/zinc/14/33/89/1077143389.db2.gz FGURUHQIJRNTHZ-RYQLBKOJSA-N 1 0 421.538 2.792 20 0 HFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000788458908 1077166092 /nfs/dbraw/zinc/16/60/92/1077166092.db2.gz GICGKQJKUJDBAD-OALUTQOASA-N 1 0 415.559 2.541 20 0 HFADRO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788459625 1077166444 /nfs/dbraw/zinc/16/64/44/1077166444.db2.gz BKSGYFRUCHXUIJ-SFHVURJKSA-N 1 0 401.507 2.908 20 0 HFADRO COc1ccc([C@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)N2CCOCC2)cc1 ZINC000788502237 1077183659 /nfs/dbraw/zinc/18/36/59/1077183659.db2.gz INJNCAWCUWIXFG-UTKZUKDTSA-N 1 0 419.566 2.914 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788505058 1077184816 /nfs/dbraw/zinc/18/48/16/1077184816.db2.gz RGKHHXMJBHHACC-UXLLHSPISA-N 1 0 411.568 2.882 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)NCCSC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000788504890 1077184825 /nfs/dbraw/zinc/18/48/25/1077184825.db2.gz FMVKAEILTMGNNY-HNNXBMFYSA-N 1 0 403.470 2.617 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000788504615 1077185205 /nfs/dbraw/zinc/18/52/05/1077185205.db2.gz CQYKDKJACCEGIZ-QAPCUYQASA-N 1 0 411.568 2.502 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000788505821 1077185444 /nfs/dbraw/zinc/18/54/44/1077185444.db2.gz UFZFWRTVEIIPSN-UFYCRDLUSA-N 1 0 417.550 2.792 20 0 HFADRO Cn1nc(-c2ccccc2)c(C[NH2+]CCNS(=O)(=O)c2cccs2)c1Cl ZINC000746748117 1077188457 /nfs/dbraw/zinc/18/84/57/1077188457.db2.gz OPRYQHQMUHNRMU-UHFFFAOYSA-N 1 0 410.952 2.870 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000788539551 1077193721 /nfs/dbraw/zinc/19/37/21/1077193721.db2.gz QYXYDFOVFZNSQX-UHFFFAOYSA-N 1 0 401.548 2.706 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000788547794 1077196541 /nfs/dbraw/zinc/19/65/41/1077196541.db2.gz LVGNYMJNKAYUDH-UHFFFAOYSA-N 1 0 413.971 2.828 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000788550386 1077197772 /nfs/dbraw/zinc/19/77/72/1077197772.db2.gz YPLRSRJWHMTCKQ-ZFWWWQNUSA-N 1 0 403.470 2.525 20 0 HFADRO CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788582036 1077212054 /nfs/dbraw/zinc/21/20/54/1077212054.db2.gz FDNGWADYWOAVRM-NRFANRHFSA-N 1 0 417.575 2.506 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCc2ccc(OC)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788586531 1077213535 /nfs/dbraw/zinc/21/35/35/1077213535.db2.gz CWCKLEANGJQDGJ-AEFFLSMTSA-N 1 0 410.486 2.908 20 0 HFADRO C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)ccc1=O)c1ccc2c(c1)CC(=O)N2C ZINC000788589371 1077213779 /nfs/dbraw/zinc/21/37/79/1077213779.db2.gz QFKAXGAJHQBVIK-QWHCGFSZSA-N 1 0 404.308 2.869 20 0 HFADRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000788605600 1077221288 /nfs/dbraw/zinc/22/12/88/1077221288.db2.gz ATKGVKIKNFPARD-OTWHNJEPSA-N 1 0 418.538 2.934 20 0 HFADRO CCn1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)c1=O ZINC000788606425 1077221908 /nfs/dbraw/zinc/22/19/08/1077221908.db2.gz GUMVUGOQUFYXGZ-LBPRGKRZSA-N 1 0 400.447 2.724 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788648861 1077225075 /nfs/dbraw/zinc/22/50/75/1077225075.db2.gz NOQXKSBAPWKSBK-OAGGEKHMSA-N 1 0 410.559 2.529 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)c1Cl ZINC000788651610 1077226789 /nfs/dbraw/zinc/22/67/89/1077226789.db2.gz JLJVVBZELOBGNM-VXGBXAGGSA-N 1 0 406.957 2.601 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000788619368 1077230141 /nfs/dbraw/zinc/23/01/41/1077230141.db2.gz DKBPCIVHIVQCKG-HNNXBMFYSA-N 1 0 400.483 2.626 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000788619712 1077231163 /nfs/dbraw/zinc/23/11/63/1077231163.db2.gz RISBZCDTDXJNAW-FQEVSTJZSA-N 1 0 411.568 2.720 20 0 HFADRO COc1ccc(CCS(=O)(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)cc1 ZINC000788622691 1077233217 /nfs/dbraw/zinc/23/32/17/1077233217.db2.gz FVMNEBPJFBKCHW-UHFFFAOYSA-N 1 0 410.580 2.581 20 0 HFADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000788627057 1077234676 /nfs/dbraw/zinc/23/46/76/1077234676.db2.gz LBWJEBYUCNXTOB-XUWVNRHRSA-N 1 0 404.573 2.692 20 0 HFADRO CC1(C(=O)OCC(=O)NCC(=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000772721790 1077238339 /nfs/dbraw/zinc/23/83/39/1077238339.db2.gz IEJKREGMMWKNEQ-UHFFFAOYSA-N 1 0 408.498 2.831 20 0 HFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](O)c1c(F)cccc1Cl ZINC000788637693 1077242200 /nfs/dbraw/zinc/24/22/00/1077242200.db2.gz HQJNQNSEIUHIFM-KPZWWZAWSA-N 1 0 400.903 2.941 20 0 HFADRO Clc1ccc2c(n1)[C@@H]([NH2+][C@@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)CC2 ZINC000788637952 1077242244 /nfs/dbraw/zinc/24/22/44/1077242244.db2.gz CUHHGESKRYUUQD-SJORKVTESA-N 1 0 414.941 2.608 20 0 HFADRO C[NH+](C)C1(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CCCC1 ZINC000788640928 1077243474 /nfs/dbraw/zinc/24/34/74/1077243474.db2.gz IBCRPPGQTMJUOC-KDURUIRLSA-N 1 0 410.518 2.569 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000790905908 1077243976 /nfs/dbraw/zinc/24/39/76/1077243976.db2.gz AEXUDQLTFKAJAV-MKXGPGLRSA-N 1 0 416.566 2.618 20 0 HFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2nc(Br)cs2)CC1 ZINC000788643280 1077244395 /nfs/dbraw/zinc/24/43/95/1077244395.db2.gz RTWNQQFNEYPPRK-UHFFFAOYSA-N 1 0 423.380 2.973 20 0 HFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788681874 1077249296 /nfs/dbraw/zinc/24/92/96/1077249296.db2.gz ZQRJIASIITYYHW-MAUKXSAKSA-N 1 0 411.568 2.672 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)C1 ZINC000746757200 1077253019 /nfs/dbraw/zinc/25/30/19/1077253019.db2.gz UBHXNGJZKOOWMD-OAQYLSRUSA-N 1 0 416.566 2.846 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1Cl ZINC000788655475 1077254475 /nfs/dbraw/zinc/25/44/75/1077254475.db2.gz YEQXUIQUMMWAJA-UHFFFAOYSA-N 1 0 408.973 2.895 20 0 HFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC[N@@H+]1C ZINC000788658295 1077255380 /nfs/dbraw/zinc/25/53/80/1077255380.db2.gz MLIQDFJWDJPRCP-XLNTUCKNSA-N 1 0 410.518 2.519 20 0 HFADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000788660520 1077257721 /nfs/dbraw/zinc/25/77/21/1077257721.db2.gz FCSTZQGPPVYCER-LBPRGKRZSA-N 1 0 405.848 2.913 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788663821 1077259244 /nfs/dbraw/zinc/25/92/44/1077259244.db2.gz XLRJZTNNAROWDH-JKSUJKDBSA-N 1 0 410.559 2.673 20 0 HFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1)CC2 ZINC000788668773 1077260950 /nfs/dbraw/zinc/26/09/50/1077260950.db2.gz LTJZNKLCRJGABW-SQNIBIBYSA-N 1 0 419.570 2.897 20 0 HFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000788669600 1077262104 /nfs/dbraw/zinc/26/21/04/1077262104.db2.gz DXGBGPFXWHEBDU-STQMWFEESA-N 1 0 402.333 2.750 20 0 HFADRO CN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788715141 1077268917 /nfs/dbraw/zinc/26/89/17/1077268917.db2.gz SENMGVSDFGIXJE-QHCPKHFHSA-N 1 0 420.557 2.877 20 0 HFADRO CCOC(=O)[C@H]1[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)CCN1C(=O)OC(C)(C)C ZINC000788719206 1077270596 /nfs/dbraw/zinc/27/05/96/1077270596.db2.gz PTHAYLOEDIFEDP-DLBZAZTESA-N 1 0 401.467 2.620 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3cccc(N4CCCS4(=O)=O)c3)C2)C1 ZINC000788749806 1077275962 /nfs/dbraw/zinc/27/59/62/1077275962.db2.gz IASUGFKSRHTGJJ-UHFFFAOYSA-N 1 0 421.563 2.716 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)CCN1C(=O)OC(C)(C)C ZINC000788754133 1077277280 /nfs/dbraw/zinc/27/72/80/1077277280.db2.gz OTBDBBNLQYPFBR-QZTJIDSGSA-N 1 0 406.523 2.945 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000746761085 1077278470 /nfs/dbraw/zinc/27/84/70/1077278470.db2.gz QNXNUFSNVALTJZ-QZTJIDSGSA-N 1 0 412.575 2.528 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CCCN(Cc4ccccn4)C3=O)C2)C1 ZINC000788736012 1077285488 /nfs/dbraw/zinc/28/54/88/1077285488.db2.gz CTPWMSDQGGIIRJ-SFHVURJKSA-N 1 0 400.523 2.562 20 0 HFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC000788745338 1077287487 /nfs/dbraw/zinc/28/74/87/1077287487.db2.gz FGTOIAGJWCKRGI-IBGZPJMESA-N 1 0 414.550 2.630 20 0 HFADRO C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC000788745340 1077287515 /nfs/dbraw/zinc/28/75/15/1077287515.db2.gz FGTOIAGJWCKRGI-LJQANCHMSA-N 1 0 414.550 2.630 20 0 HFADRO CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788748523 1077288773 /nfs/dbraw/zinc/28/87/73/1077288773.db2.gz UJWYWUHCHFJZGQ-FGZHOGPDSA-N 1 0 408.546 2.602 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)C2=O)c(C)c1 ZINC000788809500 1077294345 /nfs/dbraw/zinc/29/43/45/1077294345.db2.gz KUAZSTBXQQYBIT-UXHICEINSA-N 1 0 400.567 2.994 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777739 1077298432 /nfs/dbraw/zinc/29/84/32/1077298432.db2.gz LORQLLKQQVDNQV-HRCADAONSA-N 1 0 413.349 2.735 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788779384 1077299105 /nfs/dbraw/zinc/29/91/05/1077299105.db2.gz CIEFLJJYMMRAKG-QGZVFWFLSA-N 1 0 403.523 2.500 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]CCC(=O)NCC(=O)c1ccccc1 ZINC000796653237 1077301852 /nfs/dbraw/zinc/30/18/52/1077301852.db2.gz GGKAHBWVXVOKIQ-LLGFUMIMSA-N 1 0 417.550 2.999 20 0 HFADRO C[C@H]1CN(c2ccccc2F)CCN1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000788787861 1077304205 /nfs/dbraw/zinc/30/42/05/1077304205.db2.gz BDMBMBMLFCASRZ-PKOBYXMFSA-N 1 0 404.530 2.689 20 0 HFADRO C[C@@H]1CN(c2ccccc2F)CCN1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000788787859 1077304224 /nfs/dbraw/zinc/30/42/24/1077304224.db2.gz BDMBMBMLFCASRZ-IEBWSBKVSA-N 1 0 404.530 2.689 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)CCN1C(=O)OC(C)(C)C ZINC000788814698 1077306563 /nfs/dbraw/zinc/30/65/63/1077306563.db2.gz AAZRYQOXVVHLHV-WMZOPIPTSA-N 1 0 402.495 2.636 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CCN(C(=O)COc4ccccc4)C3)C2)C1 ZINC000788817311 1077307157 /nfs/dbraw/zinc/30/71/57/1077307157.db2.gz JTPWBJIHQFUECR-KRWDZBQOSA-N 1 0 415.534 2.655 20 0 HFADRO CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788820393 1077308172 /nfs/dbraw/zinc/30/81/72/1077308172.db2.gz OAHVDYSOJHNKKP-FDFHNCONSA-N 1 0 406.530 2.874 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000788822228 1077309007 /nfs/dbraw/zinc/30/90/07/1077309007.db2.gz KJEUUJKJGXKNSW-SIJIIQCFSA-N 1 0 418.335 2.809 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000791156689 1077311376 /nfs/dbraw/zinc/31/13/76/1077311376.db2.gz WWOUOQXYABTSGP-JGDYFIEFSA-N 1 0 410.514 2.947 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3nc4c(cc3C(N)=O)CCC4)nc3ccc(C)cc3n12 ZINC001170149451 1077313435 /nfs/dbraw/zinc/31/34/35/1077313435.db2.gz FTLRLFZAURIXMC-UHFFFAOYSA-N 1 0 415.501 2.579 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788832915 1077314119 /nfs/dbraw/zinc/31/41/19/1077314119.db2.gz UDHKFOXKZDCMHN-UEVCKROQSA-N 1 0 420.557 2.949 20 0 HFADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[NH+]2CCC(C3CCOCC3)CC2)C1 ZINC000788845709 1077318401 /nfs/dbraw/zinc/31/84/01/1077318401.db2.gz CMQSCRHXRMZBAJ-SFHVURJKSA-N 1 0 423.598 2.888 20 0 HFADRO CN1CCN(C(=O)CC2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)CC1 ZINC000788845758 1077318428 /nfs/dbraw/zinc/31/84/28/1077318428.db2.gz DHSDBYQAKIJNCN-UHFFFAOYSA-N 1 0 424.630 2.898 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000788852512 1077320216 /nfs/dbraw/zinc/32/02/16/1077320216.db2.gz HFQORQUBQQOSJK-KURKYZTESA-N 1 0 418.538 2.845 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)c3ncnn3C)cc2Cl)CC1 ZINC000788883776 1077329927 /nfs/dbraw/zinc/32/99/27/1077329927.db2.gz CTNCGQMYAGVBLH-AWEZNQCLSA-N 1 0 405.934 2.883 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)C1 ZINC000791218729 1077333344 /nfs/dbraw/zinc/33/33/44/1077333344.db2.gz PMLIVMGFCHPRQW-LBPRGKRZSA-N 1 0 422.016 2.988 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000788911424 1077350032 /nfs/dbraw/zinc/35/00/32/1077350032.db2.gz DDBMLPJBEPXRAY-NEPJUHHUSA-N 1 0 423.348 2.996 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCc3c(F)cccc3Cl)cc2)CC1 ZINC000746994451 1077352750 /nfs/dbraw/zinc/35/27/50/1077352750.db2.gz PQZOEMJHMVQOIR-UHFFFAOYSA-N 1 0 418.900 2.876 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC000791334539 1077377611 /nfs/dbraw/zinc/37/76/11/1077377611.db2.gz BAMIBTRBBVWBNG-MDZDMXLPSA-N 1 0 421.501 2.657 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000746780460 1077378465 /nfs/dbraw/zinc/37/84/65/1077378465.db2.gz FOZJRXYZCVOURL-IBGZPJMESA-N 1 0 409.534 2.890 20 0 HFADRO CCN(CCc1cccs1)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000747004143 1077385602 /nfs/dbraw/zinc/38/56/02/1077385602.db2.gz ZIOSNUXMKNRKPE-UHFFFAOYSA-N 1 0 414.575 2.920 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCCc2cccc(Cl)c2)CC1 ZINC000747007147 1077391846 /nfs/dbraw/zinc/39/18/46/1077391846.db2.gz RMIQEYAATPWRHW-UHFFFAOYSA-N 1 0 414.937 2.779 20 0 HFADRO CCN(C)C(=O)[C@H](C)NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000789087720 1077408083 /nfs/dbraw/zinc/40/80/83/1077408083.db2.gz SASXQKIWMDMJEE-KRWDZBQOSA-N 1 0 417.554 2.880 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000791450809 1077411573 /nfs/dbraw/zinc/41/15/73/1077411573.db2.gz YACYNHPJCWSBTP-WOJBJXKFSA-N 1 0 417.550 2.511 20 0 HFADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC1 ZINC000746788027 1077416904 /nfs/dbraw/zinc/41/69/04/1077416904.db2.gz KOCOGGFHFRJXSP-UHFFFAOYSA-N 1 0 401.486 2.530 20 0 HFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000747015025 1077423190 /nfs/dbraw/zinc/42/31/90/1077423190.db2.gz RXSIDFFSMPCGPC-UHFFFAOYSA-N 1 0 412.534 2.743 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC000791473413 1077445830 /nfs/dbraw/zinc/44/58/30/1077445830.db2.gz UWSUGVALGQMUMB-JOCHJYFZSA-N 1 0 424.501 2.587 20 0 HFADRO C[C@@H](OC(=O)c1n[nH]c2c1CCCCC2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789178459 1077446082 /nfs/dbraw/zinc/44/60/82/1077446082.db2.gz WZHKHZKBBVUGDO-AEFFLSMTSA-N 1 0 410.518 2.615 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000791510233 1077449190 /nfs/dbraw/zinc/44/91/90/1077449190.db2.gz NYDWCIGUTMEHIG-MWTRTKDXSA-N 1 0 423.513 2.760 20 0 HFADRO Cc1nc(COc2ccc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)cc2)no1 ZINC000791569492 1077465578 /nfs/dbraw/zinc/46/55/78/1077465578.db2.gz CLBXPKCKWDEPQA-UHFFFAOYSA-N 1 0 402.495 2.530 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)c1 ZINC000791574727 1077467901 /nfs/dbraw/zinc/46/79/01/1077467901.db2.gz LCYXNNYVGRLJRH-HRAATJIYSA-N 1 0 401.507 2.674 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)n1 ZINC000791554601 1077476718 /nfs/dbraw/zinc/47/67/18/1077476718.db2.gz SDBLWWHTZILHHY-QGZVFWFLSA-N 1 0 419.501 2.831 20 0 HFADRO C[C@H](OC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000789227026 1077483309 /nfs/dbraw/zinc/48/33/09/1077483309.db2.gz JVYAMCGBNNEAHI-LAUBAEHRSA-N 1 0 423.513 2.718 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)nc1 ZINC000791606052 1077502626 /nfs/dbraw/zinc/50/26/26/1077502626.db2.gz WMSCJCHRBSBGKZ-UHFFFAOYSA-N 1 0 418.538 2.542 20 0 HFADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789313317 1077510930 /nfs/dbraw/zinc/51/09/30/1077510930.db2.gz AIGLCJDSATWHFO-LLVKDONJSA-N 1 0 422.835 2.602 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000789349184 1077512485 /nfs/dbraw/zinc/51/24/85/1077512485.db2.gz OBCSZODIYYOQTG-XHSDSOJGSA-N 1 0 402.580 2.625 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(CC[NH+](C)C)Cc3cccs3)C2)c1 ZINC000791632694 1077520101 /nfs/dbraw/zinc/52/01/01/1077520101.db2.gz QBOCKABYYPBCKD-FQEVSTJZSA-N 1 0 417.531 2.849 20 0 HFADRO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCSC(C)(C)CC3)CC2)c(F)c1 ZINC000789339303 1077527576 /nfs/dbraw/zinc/52/75/76/1077527576.db2.gz CAVZXTUZXHFUIL-UHFFFAOYSA-N 1 0 407.555 2.894 20 0 HFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746800568 1077529092 /nfs/dbraw/zinc/52/90/92/1077529092.db2.gz ANXKMIFFZNNFMK-IBGZPJMESA-N 1 0 409.534 2.917 20 0 HFADRO COC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@H]1CCCO1 ZINC000789384193 1077531561 /nfs/dbraw/zinc/53/15/61/1077531561.db2.gz VVPQYYRGDFAJHT-VQTJNVASSA-N 1 0 415.465 2.800 20 0 HFADRO COc1cccc(/C=C(\C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)n2nnnc2C)c1 ZINC000791716374 1077536493 /nfs/dbraw/zinc/53/64/93/1077536493.db2.gz ULWHBZLVSMZGMR-NPRDNPRVSA-N 1 0 420.517 2.796 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=S)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000789395926 1077536703 /nfs/dbraw/zinc/53/67/03/1077536703.db2.gz ROOVFLQARFYWMG-IBGZPJMESA-N 1 0 415.559 2.776 20 0 HFADRO Cc1cccc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(N(C)C)cc2)c1C ZINC000789395513 1077537045 /nfs/dbraw/zinc/53/70/45/1077537045.db2.gz USBRUEUMBXQYAN-UHFFFAOYSA-O 1 0 409.539 2.589 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000789367968 1077540684 /nfs/dbraw/zinc/54/06/84/1077540684.db2.gz YHKZMPYAFIKVHQ-KRWDZBQOSA-N 1 0 402.539 2.625 20 0 HFADRO CCO[C@H](CCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000746804328 1077547132 /nfs/dbraw/zinc/54/71/32/1077547132.db2.gz UETBVIOTEXKFTN-OAQYLSRUSA-N 1 0 418.582 2.723 20 0 HFADRO COC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000789381127 1077548227 /nfs/dbraw/zinc/54/82/27/1077548227.db2.gz CKZGIEAZHCVIBL-INWMFGNUSA-N 1 0 408.720 2.626 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1C ZINC000746808823 1077550452 /nfs/dbraw/zinc/55/04/52/1077550452.db2.gz IIORVYVFBJZOCM-KRWDZBQOSA-N 1 0 410.518 2.919 20 0 HFADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1F ZINC000746810086 1077551101 /nfs/dbraw/zinc/55/11/01/1077551101.db2.gz BRJBYXRJJQZLJQ-KRWDZBQOSA-N 1 0 421.856 2.623 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000791755050 1077553801 /nfs/dbraw/zinc/55/38/01/1077553801.db2.gz QWBUFVQMZYPHHC-KRWDZBQOSA-N 1 0 407.942 2.652 20 0 HFADRO CC(C)CC[C@@]1(C2CC2)NC(=O)N(CN2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000789425500 1077555840 /nfs/dbraw/zinc/55/58/40/1077555840.db2.gz PYCHVFKLLBFPCP-DEOSSOPVSA-N 1 0 412.578 2.941 20 0 HFADRO CC1(NC(=S)C(C(=O)c2cccc(N3CCCC3=O)c2)[n+]2cccc(CO)c2)CC1 ZINC000789403101 1077560524 /nfs/dbraw/zinc/56/05/24/1077560524.db2.gz LAEIKWSGWBTLKN-UHFFFAOYSA-O 1 0 424.546 2.947 20 0 HFADRO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000746807961 1077566669 /nfs/dbraw/zinc/56/66/69/1077566669.db2.gz CUAUKXHGIZZWFO-CTNGQTDRSA-N 1 0 420.557 2.857 20 0 HFADRO O=S(=O)(c1ccccc1)N1CCN(CCNc2ccc([C@H]3CCC[NH2+]3)cc2)CC1 ZINC001170107907 1077573956 /nfs/dbraw/zinc/57/39/56/1077573956.db2.gz WRAVZZHIDFPSRY-JOCHJYFZSA-N 1 0 414.575 2.530 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000791826409 1077574955 /nfs/dbraw/zinc/57/49/55/1077574955.db2.gz WAFKLJBZJJASCR-IBGZPJMESA-N 1 0 417.550 2.651 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000791827117 1077575591 /nfs/dbraw/zinc/57/55/91/1077575591.db2.gz XBTJWQBWPXOQCU-MRXNPFEDSA-N 1 0 408.470 2.935 20 0 HFADRO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COC(=O)CN2CCc3ccccc3C2=O)O1 ZINC000789485147 1077588734 /nfs/dbraw/zinc/58/87/34/1077588734.db2.gz GOFMGXUBQZCJNI-OAQYLSRUSA-N 1 0 422.525 2.908 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OC[C@H]1CCCS(=O)(=O)C1 ZINC000791877070 1077595506 /nfs/dbraw/zinc/59/55/06/1077595506.db2.gz XOMNDNQSIUWDKP-ZWKOTPCHSA-N 1 0 409.548 2.921 20 0 HFADRO Brc1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(N2CCOCC2)c1 ZINC000789508070 1077600496 /nfs/dbraw/zinc/60/04/96/1077600496.db2.gz VQMLAQIQRDTEFP-INIZCTEOSA-N 1 0 411.340 2.871 20 0 HFADRO O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940924 1077601680 /nfs/dbraw/zinc/60/16/80/1077601680.db2.gz XYMKTUFYMDCCMC-SZPZYZBQSA-N 1 0 416.525 2.755 20 0 HFADRO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789520773 1077615548 /nfs/dbraw/zinc/61/55/48/1077615548.db2.gz IHGDDNYXFHUUJB-NRFANRHFSA-N 1 0 405.498 2.796 20 0 HFADRO CC(C)NC(=O)NC1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CCCCC1 ZINC000792029106 1077657786 /nfs/dbraw/zinc/65/77/86/1077657786.db2.gz IXSRAWLZVFTEDW-UHFFFAOYSA-N 1 0 401.555 2.787 20 0 HFADRO CCC[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000792057274 1077663594 /nfs/dbraw/zinc/66/35/94/1077663594.db2.gz ORZZZYCVXHXXKD-FGZHOGPDSA-N 1 0 402.583 2.747 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)nc1 ZINC000792062336 1077669722 /nfs/dbraw/zinc/66/97/22/1077669722.db2.gz UPGGSVLXZDKTHK-UHFFFAOYSA-N 1 0 418.538 2.542 20 0 HFADRO CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746830503 1077673024 /nfs/dbraw/zinc/67/30/24/1077673024.db2.gz VEPQXZJZPDTDFM-QGZVFWFLSA-N 1 0 411.502 2.914 20 0 HFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000789558733 1077676950 /nfs/dbraw/zinc/67/69/50/1077676950.db2.gz UQYNULANZVDCPN-GFCCVEGCSA-N 1 0 400.292 2.826 20 0 HFADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1C ZINC000789562482 1077682404 /nfs/dbraw/zinc/68/24/04/1077682404.db2.gz XLCGTCOYIVWOPD-HXUWFJFHSA-N 1 0 403.486 2.876 20 0 HFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC000789562514 1077682477 /nfs/dbraw/zinc/68/24/77/1077682477.db2.gz YDEIMRLXLWTKCI-MRXNPFEDSA-N 1 0 404.264 2.961 20 0 HFADRO CCC[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000792048328 1077693814 /nfs/dbraw/zinc/69/38/14/1077693814.db2.gz JIPSXMLMKNSLMJ-NHCUHLMSSA-N 1 0 411.550 2.535 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000792052607 1077694891 /nfs/dbraw/zinc/69/48/91/1077694891.db2.gz KUTGZXJXGPYAHN-QHCPKHFHSA-N 1 0 422.529 2.517 20 0 HFADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792102722 1077696918 /nfs/dbraw/zinc/69/69/18/1077696918.db2.gz PTBINBWJIHXEHG-UHFFFAOYSA-N 1 0 418.582 2.520 20 0 HFADRO CC[NH+](CC)CC1CCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792104272 1077698233 /nfs/dbraw/zinc/69/82/33/1077698233.db2.gz FMGZRNDUBBCVFX-UHFFFAOYSA-N 1 0 410.603 2.510 20 0 HFADRO COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=[NH2+])NOCC(=O)c2cccn2C)cc1 ZINC000789633938 1077712745 /nfs/dbraw/zinc/71/27/45/1077712745.db2.gz UBEQCLGRCZTQJZ-SFHVURJKSA-N 1 0 416.478 2.981 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000792127365 1077715581 /nfs/dbraw/zinc/71/55/81/1077715581.db2.gz SGYHSFHNZCMATE-UHFFFAOYSA-N 1 0 406.527 2.588 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000792150844 1077723493 /nfs/dbraw/zinc/72/34/93/1077723493.db2.gz QMXZLAYXTIAAQK-UHFFFAOYSA-N 1 0 420.554 2.977 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000746839668 1077723853 /nfs/dbraw/zinc/72/38/53/1077723853.db2.gz FKVIIJLZRKOAMT-CQSZACIVSA-N 1 0 420.510 2.598 20 0 HFADRO CC/C(=C/C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(OC)cc1 ZINC000746839760 1077724991 /nfs/dbraw/zinc/72/49/91/1077724991.db2.gz BDFWIVOUSHHYNO-VXPUYCOJSA-N 1 0 423.561 2.997 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000792156325 1077725369 /nfs/dbraw/zinc/72/53/69/1077725369.db2.gz BEQYYVWVTXLMJT-UHFFFAOYSA-N 1 0 421.339 2.965 20 0 HFADRO CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000746845267 1077725613 /nfs/dbraw/zinc/72/56/13/1077725613.db2.gz XWEFWKPQKNSHFX-UHFFFAOYSA-N 1 0 421.950 2.989 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N[C@@H]3CC[C@H]4SCCS[C@@H]34)cccc21 ZINC000789692342 1077729928 /nfs/dbraw/zinc/72/99/28/1077729928.db2.gz SGUXKUPEXLIHJI-KONPQCLYSA-N 1 0 421.588 2.506 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)C2)c1 ZINC000792199292 1077742665 /nfs/dbraw/zinc/74/26/65/1077742665.db2.gz KKRDXRDEKJWIIQ-IERDGZPVSA-N 1 0 401.507 2.531 20 0 HFADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1 ZINC000792221784 1077747506 /nfs/dbraw/zinc/74/75/06/1077747506.db2.gz OSAVJBCLHQEZAH-UYAOXDASSA-N 1 0 404.507 2.581 20 0 HFADRO CC(C)CNC(=O)C1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792227487 1077752415 /nfs/dbraw/zinc/75/24/15/1077752415.db2.gz XATPOOZCNNNVOG-HXUWFJFHSA-N 1 0 400.567 2.702 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000792227116 1077752732 /nfs/dbraw/zinc/75/27/32/1077752732.db2.gz VKCJBDLQBOSNKI-RBBKRZOGSA-N 1 0 401.551 2.878 20 0 HFADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000746847957 1077755096 /nfs/dbraw/zinc/75/50/96/1077755096.db2.gz PGHIMPSKCRLGHW-OAGGEKHMSA-N 1 0 411.543 2.601 20 0 HFADRO Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)c1C ZINC000792234928 1077756759 /nfs/dbraw/zinc/75/67/59/1077756759.db2.gz HSTWJANLCUJEJH-ZDUSSCGKSA-N 1 0 403.914 2.682 20 0 HFADRO CN(Cc1cccc(C(N)=O)c1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792278342 1077772635 /nfs/dbraw/zinc/77/26/35/1077772635.db2.gz NRLAHEHUFQJOAX-UHFFFAOYSA-N 1 0 412.456 2.732 20 0 HFADRO O=C(NC[C@@]1(O)CCc2ccccc21)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792278202 1077773016 /nfs/dbraw/zinc/77/30/16/1077773016.db2.gz UWOWKPOASJMCTB-UHYCVJNDSA-N 1 0 411.468 2.925 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)CC1 ZINC000792290401 1077777418 /nfs/dbraw/zinc/77/74/18/1077777418.db2.gz MSDRAMFJQPYKNV-QFIPXVFZSA-N 1 0 417.550 2.785 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3nc4c(s3)CCCC4)cc2)CC1 ZINC000789748928 1077781202 /nfs/dbraw/zinc/78/12/02/1077781202.db2.gz BPTUNVSMUYBGOR-UHFFFAOYSA-N 1 0 413.547 2.741 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000789752183 1077782918 /nfs/dbraw/zinc/78/29/18/1077782918.db2.gz ODUGEAKYHJADGK-KRWDZBQOSA-N 1 0 415.925 2.890 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000792278027 1077791642 /nfs/dbraw/zinc/79/16/42/1077791642.db2.gz FDBJWLCZLZCQCL-OALUTQOASA-N 1 0 411.587 2.981 20 0 HFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792330201 1077792438 /nfs/dbraw/zinc/79/24/38/1077792438.db2.gz CTYOGDXUFOQWPS-QGZVFWFLSA-N 1 0 424.586 2.970 20 0 HFADRO CC1(C)C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@@H]1C(F)(F)F ZINC000792354857 1077812644 /nfs/dbraw/zinc/81/26/44/1077812644.db2.gz NHMDNOLRHJFMJO-ZDUSSCGKSA-N 1 0 418.460 2.573 20 0 HFADRO CC(C)Cc1ncc(NC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)cn1 ZINC000792365180 1077817465 /nfs/dbraw/zinc/81/74/65/1077817465.db2.gz SHAOQAQRXAVTGT-UHFFFAOYSA-N 1 0 424.549 2.783 20 0 HFADRO Cc1nc(-c2ccccc2NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000792368472 1077818464 /nfs/dbraw/zinc/81/84/64/1077818464.db2.gz MYGRFECNHJOAFG-GOSISDBHSA-N 1 0 419.485 2.622 20 0 HFADRO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000792387953 1077830424 /nfs/dbraw/zinc/83/04/24/1077830424.db2.gz OTFKICKMTRFKLQ-RHSMWYFYSA-N 1 0 412.456 2.566 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cc(C)cnc2Cl)c1 ZINC000792401690 1077836353 /nfs/dbraw/zinc/83/63/53/1077836353.db2.gz ZIFZLZVXCPWFFO-UHFFFAOYSA-N 1 0 404.898 2.581 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@@H]3C)cc2)CC1 ZINC000792385112 1077848041 /nfs/dbraw/zinc/84/80/41/1077848041.db2.gz DTDJEYOIGHPZEG-WMLDXEAASA-N 1 0 412.456 2.566 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000792425290 1077851215 /nfs/dbraw/zinc/85/12/15/1077851215.db2.gz NZRKQNJWUYKNAP-UYAOXDASSA-N 1 0 424.520 2.969 20 0 HFADRO COc1cccc(C[NH+]2CCC(NC(=O)Cc3cc(OC)c(O)c(OC)c3)CC2)c1 ZINC000789901065 1077856166 /nfs/dbraw/zinc/85/61/66/1077856166.db2.gz FBEZNTKBBVHUNC-UHFFFAOYSA-N 1 0 414.502 2.741 20 0 HFADRO CC(C)(CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C[NH+]1CCCC1 ZINC000792463913 1077858855 /nfs/dbraw/zinc/85/88/55/1077858855.db2.gz GDTHPPOBGKQFBT-UHFFFAOYSA-N 1 0 420.941 2.644 20 0 HFADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CSc2cccc[n+]2[O-])CC1 ZINC000792492458 1077865595 /nfs/dbraw/zinc/86/55/95/1077865595.db2.gz RWTXBYFORPIKQR-UHFFFAOYSA-N 1 0 400.548 2.829 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)=NO1 ZINC000789954683 1077866852 /nfs/dbraw/zinc/86/68/52/1077866852.db2.gz MZMRNKUMHKRHOU-PKOBYXMFSA-N 1 0 416.522 2.609 20 0 HFADRO COc1cc(-c2nnc(SCC[C@@H]3CCCC[N@@H+]3C)n2N)cc(OC)c1OC ZINC000789956022 1077867951 /nfs/dbraw/zinc/86/79/51/1077867951.db2.gz RRLFTCVRWJNXGM-AWEZNQCLSA-N 1 0 407.540 2.651 20 0 HFADRO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792497378 1077868145 /nfs/dbraw/zinc/86/81/45/1077868145.db2.gz JGAWETVTTLKHAL-ROUUACIJSA-N 1 0 405.564 2.935 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792499105 1077868461 /nfs/dbraw/zinc/86/84/61/1077868461.db2.gz UTNOMCDVSIKANQ-GCJKJVERSA-N 1 0 405.514 2.974 20 0 HFADRO COc1ccc([C@H](CNC(=O)Cn2ccc(Br)n2)[NH+]2CCCCC2)cc1 ZINC000789965427 1077873275 /nfs/dbraw/zinc/87/32/75/1077873275.db2.gz AOXGLERRNUHVSH-KRWDZBQOSA-N 1 0 421.339 2.998 20 0 HFADRO C[C@H]1C[N@H+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CCCO1 ZINC000792485145 1077878007 /nfs/dbraw/zinc/87/80/07/1077878007.db2.gz LKHIYYLUZCMTEA-INIZCTEOSA-N 1 0 406.527 2.588 20 0 HFADRO Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000792521618 1077886153 /nfs/dbraw/zinc/88/61/53/1077886153.db2.gz GVWMFPSGPARKLI-GOSISDBHSA-N 1 0 404.555 2.537 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH2+][C@H]2CCO[C@H](CC)C2)C1 ZINC001170169940 1077894184 /nfs/dbraw/zinc/89/41/84/1077894184.db2.gz IROCOWUXZHCWST-AOIWZFSPSA-N 1 0 424.582 2.874 20 0 HFADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)COC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000792549868 1077899627 /nfs/dbraw/zinc/89/96/27/1077899627.db2.gz GYXNJMFIRYPOEU-IBGZPJMESA-N 1 0 409.442 2.872 20 0 HFADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)COC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000792549872 1077899677 /nfs/dbraw/zinc/89/96/77/1077899677.db2.gz GYXNJMFIRYPOEU-LJQANCHMSA-N 1 0 409.442 2.872 20 0 HFADRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000792551048 1077900036 /nfs/dbraw/zinc/90/00/36/1077900036.db2.gz CVJHPXAUUZTAAS-OAHLLOKOSA-N 1 0 408.458 2.539 20 0 HFADRO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000772797991 1077900943 /nfs/dbraw/zinc/90/09/43/1077900943.db2.gz KVCXCCZSZNBHEB-UGKGYDQZSA-N 1 0 400.567 2.801 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cnn(-c2ccc(F)cc2)n1 ZINC000792555362 1077901684 /nfs/dbraw/zinc/90/16/84/1077901684.db2.gz MNJHMXSMVKOZIW-UHFFFAOYSA-N 1 0 411.403 2.942 20 0 HFADRO COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC001170182963 1077903145 /nfs/dbraw/zinc/90/31/45/1077903145.db2.gz BUSDZRZJZBVXMH-IBGZPJMESA-N 1 0 423.469 2.781 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC(c3cc4c(ncn4C)c(N4CCOCC4)n3)CC2)CCO1 ZINC001170214067 1077908638 /nfs/dbraw/zinc/90/86/38/1077908638.db2.gz MDXJANGYHZXLHA-RBUKOAKNSA-N 1 0 413.566 2.942 20 0 HFADRO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001170218864 1077910243 /nfs/dbraw/zinc/91/02/43/1077910243.db2.gz WCALJEIJCUNBEE-ROUUACIJSA-N 1 0 416.591 2.830 20 0 HFADRO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001170218859 1077910297 /nfs/dbraw/zinc/91/02/97/1077910297.db2.gz WCALJEIJCUNBEE-MSOLQXFVSA-N 1 0 416.591 2.830 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=O)[NH2+][C@H]3CC[C@H](C)C3)ccc12 ZINC001170125770 1077913341 /nfs/dbraw/zinc/91/33/41/1077913341.db2.gz PARMGGSKWCFKHD-YEWWUXTCSA-N 1 0 414.506 2.635 20 0 HFADRO Cn1cc(C(=O)Nc2ccc(OS(=O)(=O)c3ccc(C[NH+](C)C)cc3)cc2)cn1 ZINC000790017745 1077914569 /nfs/dbraw/zinc/91/45/69/1077914569.db2.gz MKWKMZGXHKFDRF-UHFFFAOYSA-N 1 0 414.487 2.502 20 0 HFADRO O=C(C=CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc2n[nH]cc2c1 ZINC000792579105 1077915549 /nfs/dbraw/zinc/91/55/49/1077915549.db2.gz UEEAKRMCZKFJSE-FMVXNEARSA-N 1 0 415.497 2.648 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)CCO1 ZINC001170223538 1077916639 /nfs/dbraw/zinc/91/66/39/1077916639.db2.gz SQDHYLPVQGKISA-RTBURBONSA-N 1 0 406.596 2.518 20 0 HFADRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CC(=O)Nc1nnc(CC(C)C)s1 ZINC001170264544 1077921094 /nfs/dbraw/zinc/92/10/94/1077921094.db2.gz PXFONPICROTLQN-ZBFHGGJFSA-N 1 0 404.536 2.685 20 0 HFADRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)[C@@H](Cc2ccccc2)C(=O)OC)c1 ZINC001170264827 1077921371 /nfs/dbraw/zinc/92/13/71/1077921371.db2.gz ZADJHFYTTCIOJD-VQIMIIECSA-N 1 0 412.486 2.730 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001170274448 1077926179 /nfs/dbraw/zinc/92/61/79/1077926179.db2.gz RJRZXMYOLCBGMS-NBYUQASBSA-N 1 0 406.954 2.714 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001170274371 1077926183 /nfs/dbraw/zinc/92/61/83/1077926183.db2.gz QNIMTIMDGQZOAC-KPLVRAHFSA-N 1 0 406.954 2.858 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001170275360 1077926452 /nfs/dbraw/zinc/92/64/52/1077926452.db2.gz GPSATDLCEBBDHK-DDBAPUKQSA-N 1 0 400.910 2.894 20 0 HFADRO Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2NCC2C[NH+](C)C2)cc1 ZINC001170253547 1077928191 /nfs/dbraw/zinc/92/81/91/1077928191.db2.gz OLUHXFZOWFPXBR-UHFFFAOYSA-N 1 0 411.531 2.737 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(-c2ccccc2)nc1 ZINC000790049459 1077929937 /nfs/dbraw/zinc/92/99/37/1077929937.db2.gz NPRAYMOKJPUJDV-UHFFFAOYSA-N 1 0 400.504 2.891 20 0 HFADRO C[NH+](C)CCOc1cc(C(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)ccn1 ZINC000792600894 1077929944 /nfs/dbraw/zinc/92/99/44/1077929944.db2.gz NXNVZBCUDZKAMM-FQEVSTJZSA-N 1 0 411.502 2.760 20 0 HFADRO CN(C)S(=O)(=O)CCC[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001170300794 1077932197 /nfs/dbraw/zinc/93/21/97/1077932197.db2.gz XMMQZSIKHVWBLC-QGZVFWFLSA-N 1 0 417.616 2.625 20 0 HFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001170280532 1077936586 /nfs/dbraw/zinc/93/65/86/1077936586.db2.gz KIEJHQJTOOUWKK-CABCVRRESA-N 1 0 405.886 2.571 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001170283497 1077937283 /nfs/dbraw/zinc/93/72/83/1077937283.db2.gz MDKVIPHMGFKWBT-NDSDBLNTSA-N 1 0 402.926 2.666 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC001170284450 1077937638 /nfs/dbraw/zinc/93/76/38/1077937638.db2.gz NMOYEHHKDXFWBI-CNTRQJEFSA-N 1 0 414.937 2.828 20 0 HFADRO CN(C[C@H]1C[NH2+]CCO1)C(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001157716733 1077940564 /nfs/dbraw/zinc/94/05/64/1077940564.db2.gz RIQRBDURMNCPGA-MRXNPFEDSA-N 1 0 400.350 2.652 20 0 HFADRO CN(C[C@@H]1C[NH2+]CCO1)C(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001157716732 1077940617 /nfs/dbraw/zinc/94/06/17/1077940617.db2.gz RIQRBDURMNCPGA-INIZCTEOSA-N 1 0 400.350 2.652 20 0 HFADRO CCS(=O)(=O)c1ccc(CNc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)cc1 ZINC001170330188 1077944837 /nfs/dbraw/zinc/94/48/37/1077944837.db2.gz AQJUYEWIIRUZMS-UHFFFAOYSA-N 1 0 401.532 2.656 20 0 HFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790136344 1077953776 /nfs/dbraw/zinc/95/37/76/1077953776.db2.gz HMTNRZVOHXLLES-UHFFFAOYSA-N 1 0 413.497 2.833 20 0 HFADRO C[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790154091 1077960455 /nfs/dbraw/zinc/96/04/55/1077960455.db2.gz OVCPBOCMRICMRE-SUMWQHHRSA-N 1 0 403.918 2.859 20 0 HFADRO C[C@@H](NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790154085 1077960475 /nfs/dbraw/zinc/96/04/75/1077960475.db2.gz OVCPBOCMRICMRE-CXAGYDPISA-N 1 0 403.918 2.859 20 0 HFADRO CC(C)[C@@](C)([NH2+]CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(N)=O ZINC001170129184 1077964749 /nfs/dbraw/zinc/96/47/49/1077964749.db2.gz WQROKUUHVWUOHF-BXKMTCNYSA-N 1 0 424.545 2.948 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1I ZINC000792671413 1077969633 /nfs/dbraw/zinc/96/96/33/1077969633.db2.gz YMMVSXBNTVTMEO-OAHLLOKOSA-N 1 0 421.282 2.938 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000790212549 1077971694 /nfs/dbraw/zinc/97/16/94/1077971694.db2.gz YMXSQMTWFJXVAZ-YPAWHYETSA-N 1 0 411.550 2.775 20 0 HFADRO C[C@@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792718419 1077973422 /nfs/dbraw/zinc/97/34/22/1077973422.db2.gz QAJLVHVWMFDBCL-BEFAXECRSA-N 1 0 401.894 2.600 20 0 HFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)C1 ZINC000790241283 1077974880 /nfs/dbraw/zinc/97/48/80/1077974880.db2.gz QVBFVRYWKLOPRX-IFMALSPDSA-N 1 0 413.566 2.880 20 0 HFADRO CC(=O)CCc1ccc(OCCC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000746889713 1077988344 /nfs/dbraw/zinc/98/83/44/1077988344.db2.gz TYZOGMXQPYICHA-QFIPXVFZSA-N 1 0 402.535 2.737 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000790264735 1077989849 /nfs/dbraw/zinc/98/98/49/1077989849.db2.gz OQXDPOINYXVCPB-JQHSSLGASA-N 1 0 409.452 2.764 20 0 HFADRO O=C(NC[C@H]1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1)OCc1ccccc1 ZINC000792787238 1077991398 /nfs/dbraw/zinc/99/13/98/1077991398.db2.gz ACRXAARWZFOIJI-LJQANCHMSA-N 1 0 414.550 2.961 20 0 HFADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000790315727 1077995160 /nfs/dbraw/zinc/99/51/60/1077995160.db2.gz XXVSASDJHWJUKC-MVIBAMFRSA-N 1 0 419.610 2.950 20 0 HFADRO COc1ccc(Br)cc1CN(C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790360905 1078004150 /nfs/dbraw/zinc/00/41/50/1078004150.db2.gz PCLZXUHBEQICEW-LJQANCHMSA-N 1 0 424.339 2.764 20 0 HFADRO O=C1O[C@]2(CN1CN1CCC(CN3CCc4ccccc43)CC1)C[NH+]1CCC2CC1 ZINC000790362970 1078004558 /nfs/dbraw/zinc/00/45/58/1078004558.db2.gz QDMIRMFSMYZNMX-DEOSSOPVSA-N 1 0 410.562 2.635 20 0 HFADRO O=C1O[C@]2(CN1CN1CCC(c3nc(-c4ccccc4)no3)CC1)C[NH+]1CCC2CC1 ZINC000790362713 1078004599 /nfs/dbraw/zinc/00/45/99/1078004599.db2.gz NQJDKULKMIQYHF-QHCPKHFHSA-N 1 0 423.517 2.790 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792863918 1078010951 /nfs/dbraw/zinc/01/09/51/1078010951.db2.gz VVFTXGADTQURSW-NFBKMPQASA-N 1 0 417.550 2.508 20 0 HFADRO CCN(CCCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C(=O)OC(C)(C)C ZINC000792864807 1078011284 /nfs/dbraw/zinc/01/12/84/1078011284.db2.gz KYQUTVNRRODWRD-UHFFFAOYSA-N 1 0 421.542 2.569 20 0 HFADRO C[C@@H]1CN(c2cccc3cnccc32)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790390351 1078012833 /nfs/dbraw/zinc/01/28/33/1078012833.db2.gz STNACYNDJSBWLV-HOYKHHGWSA-N 1 0 421.545 2.619 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000792848038 1078014040 /nfs/dbraw/zinc/01/40/40/1078014040.db2.gz LBCJDKQLACNCIT-DZFGPLHGSA-N 1 0 424.545 2.959 20 0 HFADRO O=C1O[C@]2(CN1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1)C[NH+]1CCC2CC1 ZINC000790367224 1078015691 /nfs/dbraw/zinc/01/56/91/1078015691.db2.gz HONGBRXHJSYXRG-UNMCSNQZSA-N 1 0 403.498 2.681 20 0 HFADRO O=C(c1cc(F)ccc1F)C1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790371136 1078016492 /nfs/dbraw/zinc/01/64/92/1078016492.db2.gz UFLYTLBGJKPVHN-QFIPXVFZSA-N 1 0 419.472 2.734 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)NCC[N@H+]1CC=CCC1)NC(=O)OC(C)(C)C ZINC000792885305 1078017011 /nfs/dbraw/zinc/01/70/11/1078017011.db2.gz GNYPGTWQHWAXKV-SFHVURJKSA-N 1 0 418.538 2.822 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)[C@@H](C)C1 ZINC000790377155 1078018236 /nfs/dbraw/zinc/01/82/36/1078018236.db2.gz WPZICWPRDRWGLF-FXAWDEMLSA-N 1 0 422.545 2.911 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCC(OCc3ccc(F)cc3)CC1)C[NH+]1CCC2CC1 ZINC000790376782 1078018608 /nfs/dbraw/zinc/01/86/08/1078018608.db2.gz VZBUGNITEQTBPH-JOCHJYFZSA-N 1 0 403.498 2.681 20 0 HFADRO C[C@H]1OCC[C@@]12C[N@H+](Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407401 1078019823 /nfs/dbraw/zinc/01/98/23/1078019823.db2.gz RPMLETFEOMUGCB-PJIJBLCYSA-N 1 0 407.308 2.990 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000792944502 1078022920 /nfs/dbraw/zinc/02/29/20/1078022920.db2.gz SWUBHFCXUDSYDV-IBGZPJMESA-N 1 0 405.539 2.678 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914811 1078025118 /nfs/dbraw/zinc/02/51/18/1078025118.db2.gz SWKWBBYDOHSWOS-ZENOOKHLSA-N 1 0 421.847 2.555 20 0 HFADRO CCCCCCn1cc(S(=O)(=O)Nc2ccc(C)cc2C[NH+](C)C)c(=O)[nH]c1=O ZINC000772824364 1078026663 /nfs/dbraw/zinc/02/66/63/1078026663.db2.gz JSFOLBPMGVRGPE-UHFFFAOYSA-N 1 0 422.551 2.700 20 0 HFADRO CS(=O)(=O)Nc1cccc(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000790462002 1078027358 /nfs/dbraw/zinc/02/73/58/1078027358.db2.gz BHWOTRPUVWMQQS-UHFFFAOYSA-N 1 0 417.531 2.949 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000792975579 1078030690 /nfs/dbraw/zinc/03/06/90/1078030690.db2.gz DQOUJNXYEJYLAT-ZRBLBEILSA-N 1 0 408.546 2.839 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792946656 1078032002 /nfs/dbraw/zinc/03/20/02/1078032002.db2.gz DAJYRCFNMURUPI-UHFFFAOYSA-N 1 0 417.307 2.563 20 0 HFADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)n2)[NH+]2CCCC2)c1 ZINC000792947778 1078032279 /nfs/dbraw/zinc/03/22/79/1078032279.db2.gz PBWJZLHQGGCKSW-MRXNPFEDSA-N 1 0 402.882 2.635 20 0 HFADRO O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792948937 1078032872 /nfs/dbraw/zinc/03/28/72/1078032872.db2.gz MCRSYDUHHLPGQQ-UHFFFAOYSA-N 1 0 417.307 2.695 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)CC(C)C ZINC000792951633 1078033277 /nfs/dbraw/zinc/03/32/77/1078033277.db2.gz NMZFZAMJLOUEHK-CQSZACIVSA-N 1 0 413.360 2.964 20 0 HFADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCC(C)CC1 ZINC000792951224 1078033490 /nfs/dbraw/zinc/03/34/90/1078033490.db2.gz DARXGBOPNROQDJ-CQSZACIVSA-N 1 0 411.344 2.655 20 0 HFADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCCC1 ZINC000792951642 1078033495 /nfs/dbraw/zinc/03/34/95/1078033495.db2.gz NUNOBMUAHBYWSR-AWEZNQCLSA-N 1 0 411.344 2.799 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)nc1Br ZINC000792953593 1078033961 /nfs/dbraw/zinc/03/39/61/1078033961.db2.gz RRIOYUBGJNPLTF-AWEZNQCLSA-N 1 0 411.344 2.718 20 0 HFADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(Br)n2)CC1 ZINC000792968038 1078038516 /nfs/dbraw/zinc/03/85/16/1078038516.db2.gz DZXWKWHUYXTCQJ-UHFFFAOYSA-N 1 0 411.344 2.753 20 0 HFADRO CN(C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000790470819 1078038981 /nfs/dbraw/zinc/03/89/81/1078038981.db2.gz IRVSYWYJKKETRS-LJQANCHMSA-N 1 0 402.516 2.551 20 0 HFADRO CC1(C)C[N@@H+](C2(CNC(=O)C(=O)Nc3cccc(Cl)n3)CCCCC2)CCO1 ZINC000792982975 1078040442 /nfs/dbraw/zinc/04/04/42/1078040442.db2.gz ZYJSRIKTWFZTJQ-UHFFFAOYSA-N 1 0 408.930 2.603 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1)[NH+](C)C ZINC000806226676 1079509125 /nfs/dbraw/zinc/50/91/25/1079509125.db2.gz CLDOPTXUDFHJPK-MDKPJZGXSA-N 1 0 403.498 2.864 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000806271710 1079534431 /nfs/dbraw/zinc/53/44/31/1079534431.db2.gz KDVQFZUBZWEMPC-QHCPKHFHSA-N 1 0 414.550 2.915 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000806271511 1079534585 /nfs/dbraw/zinc/53/45/85/1079534585.db2.gz CCSSNZAMIIRQBS-HXUWFJFHSA-N 1 0 420.554 2.997 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccco1 ZINC000806282441 1079546551 /nfs/dbraw/zinc/54/65/51/1079546551.db2.gz LAXMTERUAIDFFV-RHSMWYFYSA-N 1 0 408.524 2.580 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000806308540 1079561798 /nfs/dbraw/zinc/56/17/98/1079561798.db2.gz UVCRRFMRYALCCS-PMACEKPBSA-N 1 0 404.555 2.858 20 0 HFADRO COc1cccc([C@@H](CNC(=O)N2CCCC[C@H]2COC(=O)NC(C)C)[NH+](C)C)c1 ZINC000806308768 1079561853 /nfs/dbraw/zinc/56/18/53/1079561853.db2.gz YASLDBJDUBJJIN-AZUAARDMSA-N 1 0 420.554 2.997 20 0 HFADRO COc1cccc([C@H](CNC(=O)N2CCCC[C@H]2COC(=O)NC(C)C)[NH+](C)C)c1 ZINC000806308769 1079561895 /nfs/dbraw/zinc/56/18/95/1079561895.db2.gz YASLDBJDUBJJIN-ICSRJNTNSA-N 1 0 420.554 2.997 20 0 HFADRO Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001130586773 1079562484 /nfs/dbraw/zinc/56/24/84/1079562484.db2.gz UNHXACYWRRJZGA-SQNIBIBYSA-N 1 0 407.580 2.723 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001130589764 1079570538 /nfs/dbraw/zinc/57/05/38/1079570538.db2.gz RCHRFWSRYKNPCP-WCXIOVBPSA-N 1 0 407.942 2.507 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000806292476 1079580542 /nfs/dbraw/zinc/58/05/42/1079580542.db2.gz NSJQLFBNZJIIMQ-GOSISDBHSA-N 1 0 406.433 2.514 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000806292579 1079580722 /nfs/dbraw/zinc/58/07/22/1079580722.db2.gz FHXKHWUFQDNUGT-UYAOXDASSA-N 1 0 418.538 2.752 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C(C)(C)C ZINC000806319854 1079590800 /nfs/dbraw/zinc/59/08/00/1079590800.db2.gz BHXYHGYKBQLBBS-FQEVSTJZSA-N 1 0 408.631 2.584 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)cn1 ZINC000806319958 1079591299 /nfs/dbraw/zinc/59/12/99/1079591299.db2.gz VMSPXVGCPWTKRQ-IBGZPJMESA-N 1 0 420.558 2.890 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000806323536 1079595874 /nfs/dbraw/zinc/59/58/74/1079595874.db2.gz UBIKODRHTHBCJQ-RBBKRZOGSA-N 1 0 403.567 2.807 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)C(C)(C)C ZINC000806390392 1079642050 /nfs/dbraw/zinc/64/20/50/1079642050.db2.gz IZXUJTQWIWRTJS-VQTJNVASSA-N 1 0 403.567 2.753 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000806370781 1079658506 /nfs/dbraw/zinc/65/85/06/1079658506.db2.gz KDRWNMWKOBUEJU-OAQYLSRUSA-N 1 0 416.566 2.956 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000806434515 1079682072 /nfs/dbraw/zinc/68/20/72/1079682072.db2.gz NDMXXWFUDPSSEF-YLJYHZDGSA-N 1 0 402.539 2.743 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000806394411 1079684513 /nfs/dbraw/zinc/68/45/13/1079684513.db2.gz NAHYPUOEIDMODK-HXUWFJFHSA-N 1 0 402.539 2.743 20 0 HFADRO CC[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC000806397779 1079685920 /nfs/dbraw/zinc/68/59/20/1079685920.db2.gz QHVSKWUWYRTQGL-PMACEKPBSA-N 1 0 402.539 2.743 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000806401960 1079689898 /nfs/dbraw/zinc/68/98/98/1079689898.db2.gz XXLWXXSAXQVUHE-HXUWFJFHSA-N 1 0 402.539 2.745 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000806412216 1079699280 /nfs/dbraw/zinc/69/92/80/1079699280.db2.gz NMDXOOWWHCWJBA-IBGZPJMESA-N 1 0 420.554 2.997 20 0 HFADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2[NH2+]CCCC(C)(C)C)c1 ZINC001130630146 1079710425 /nfs/dbraw/zinc/71/04/25/1079710425.db2.gz GGCPRQSVTLYVPZ-DSVUQQCSSA-N 1 0 402.583 2.946 20 0 HFADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508931 1079722565 /nfs/dbraw/zinc/72/25/65/1079722565.db2.gz YHDUSGQOWOJDMQ-KXEIRXBSSA-N 1 0 413.942 2.541 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000806462466 1079735357 /nfs/dbraw/zinc/73/53/57/1079735357.db2.gz BVPDIVKEIWIFFE-HXUWFJFHSA-N 1 0 417.554 2.745 20 0 HFADRO COc1ccc([C@H](CNC(=O)N=c2ccnc3n(C)[nH]cc2-3)[NH+]2CCCCC2)cc1 ZINC000806489975 1079740398 /nfs/dbraw/zinc/74/03/98/1079740398.db2.gz KCQJQVUJUSNVTD-FQEVSTJZSA-N 1 0 408.506 2.699 20 0 HFADRO CCOc1cc2c(cc1/C=C\C(=O)N1CC[NH+](C3CCOCC3)CC1)O[C@H](C)C2 ZINC000747331879 1079747438 /nfs/dbraw/zinc/74/74/38/1079747438.db2.gz BVFAGLFIQSYTTR-VGOKWCNXSA-N 1 0 400.519 2.745 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000806497156 1079747846 /nfs/dbraw/zinc/74/78/46/1079747846.db2.gz BLITZBWGLAJGCC-PMACEKPBSA-N 1 0 404.555 2.858 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000806498061 1079748661 /nfs/dbraw/zinc/74/86/61/1079748661.db2.gz WJBQPICGMTUROE-VQTJNVASSA-N 1 0 404.555 2.860 20 0 HFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)C1 ZINC000806501686 1079752945 /nfs/dbraw/zinc/75/29/45/1079752945.db2.gz JRLHOIRZDBYMNX-MJGOQNOKSA-N 1 0 415.534 2.676 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)([NH+](C)C)C1 ZINC000806502914 1079753952 /nfs/dbraw/zinc/75/39/52/1079753952.db2.gz LACIUFHKYDQJHK-GHDARCQNSA-N 1 0 424.586 2.576 20 0 HFADRO C[C@H]1CCN(C(=O)NCCCCCCC[NH+](C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806542518 1079779646 /nfs/dbraw/zinc/77/96/46/1079779646.db2.gz UOAMPBIUTZIBQT-JYJNAYRXSA-N 1 0 408.509 2.986 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCCc2ccc3[nH]ccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000806548618 1079787266 /nfs/dbraw/zinc/78/72/66/1079787266.db2.gz KDMXOZCUHTUJRU-RUZDIDTESA-N 1 0 418.541 2.855 20 0 HFADRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[C@H]1CCCC12OCCO2 ZINC000806581257 1079812290 /nfs/dbraw/zinc/81/22/90/1079812290.db2.gz SJEPXWSNHLJEJC-OAQYLSRUSA-N 1 0 422.529 2.886 20 0 HFADRO C[NH+](C)C[C@@H](NC(=S)NCCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000806593572 1079836435 /nfs/dbraw/zinc/83/64/35/1079836435.db2.gz JBIRBNKONXEUNL-GOSISDBHSA-N 1 0 403.523 2.906 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000806596508 1079838082 /nfs/dbraw/zinc/83/80/82/1079838082.db2.gz YHZUNNGFJISILQ-CRAIPNDOSA-N 1 0 420.966 2.655 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000806653166 1079871373 /nfs/dbraw/zinc/87/13/73/1079871373.db2.gz WVJBFKMGRHOZOG-HYBUGGRVSA-N 1 0 422.573 2.842 20 0 HFADRO O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747343736 1079909411 /nfs/dbraw/zinc/90/94/11/1079909411.db2.gz RVWIVOJZTNNQSW-SJORKVTESA-N 1 0 404.898 2.692 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000806741286 1079949156 /nfs/dbraw/zinc/94/91/56/1079949156.db2.gz YPMJOVHLLFPACU-JONQDZQNSA-N 1 0 406.493 2.594 20 0 HFADRO C[C@H](NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806733185 1079958879 /nfs/dbraw/zinc/95/88/79/1079958879.db2.gz YWMMHHOTPXXFHR-GHTZIAJQSA-N 1 0 423.557 2.557 20 0 HFADRO O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733012 1079970895 /nfs/dbraw/zinc/97/08/95/1079970895.db2.gz HNNCPKOYURSDHH-RBUKOAKNSA-N 1 0 422.451 2.951 20 0 HFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cnc(C3OCCO3)s2)cc1 ZINC000806771880 1079992258 /nfs/dbraw/zinc/99/22/58/1079992258.db2.gz IKGOSDLQSLIPTD-UHFFFAOYSA-N 1 0 405.520 2.839 20 0 HFADRO Cc1ccc(CC(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c(Cl)n1 ZINC000806791854 1080012800 /nfs/dbraw/zinc/01/28/00/1080012800.db2.gz KACVUFSDRLAPPJ-UHFFFAOYSA-N 1 0 400.954 2.862 20 0 HFADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(Br)ncc1Cl ZINC000806797620 1080015862 /nfs/dbraw/zinc/01/58/62/1080015862.db2.gz YMIBBRHSSIABEZ-UHFFFAOYSA-N 1 0 402.720 2.872 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000806812426 1080025348 /nfs/dbraw/zinc/02/53/48/1080025348.db2.gz JOKPQXFBHMZZRE-MJGOQNOKSA-N 1 0 420.554 2.997 20 0 HFADRO C[NH+](C)Cc1cccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000747359850 1080031037 /nfs/dbraw/zinc/03/10/37/1080031037.db2.gz MUSNMNJGIBFHCK-UHFFFAOYSA-N 1 0 410.518 2.641 20 0 HFADRO COC(OC)c1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)o1 ZINC000806891670 1080056923 /nfs/dbraw/zinc/05/69/23/1080056923.db2.gz AQEPORQXEKSKMN-UHFFFAOYSA-N 1 0 406.454 2.983 20 0 HFADRO CCOC(=O)c1cc2cc(Br)c(NCCOCCOCC[NH3+])cc2[nH]1 ZINC001170513367 1080057875 /nfs/dbraw/zinc/05/78/75/1080057875.db2.gz VWAXFGNNKAAXBG-UHFFFAOYSA-N 1 0 414.300 2.511 20 0 HFADRO C[C@@H](CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000806865122 1080067290 /nfs/dbraw/zinc/06/72/90/1080067290.db2.gz PRGUFJSAOCQJCE-URXFXBBRSA-N 1 0 424.589 2.815 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000806873356 1080073942 /nfs/dbraw/zinc/07/39/42/1080073942.db2.gz ZJBYOPOSZLRJKO-NRFANRHFSA-N 1 0 402.583 2.532 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000806878899 1080077926 /nfs/dbraw/zinc/07/79/26/1080077926.db2.gz YSZRFSHTDPFEKK-INIZCTEOSA-N 1 0 415.559 2.942 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000806953777 1080163940 /nfs/dbraw/zinc/16/39/40/1080163940.db2.gz JNHGAPCYADPTEQ-QOKNQOGYSA-N 1 0 413.440 2.786 20 0 HFADRO C[C@@H](CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)CC1(C)OCCO1 ZINC000806954807 1080165136 /nfs/dbraw/zinc/16/51/36/1080165136.db2.gz HOFGZLZHWFUNIX-QGZVFWFLSA-N 1 0 405.539 2.748 20 0 HFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000807003766 1080180490 /nfs/dbraw/zinc/18/04/90/1080180490.db2.gz AUNLTYARBIDHSZ-UHFFFAOYSA-N 1 0 409.530 2.976 20 0 HFADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)cc2)C1 ZINC000806978908 1080187431 /nfs/dbraw/zinc/18/74/31/1080187431.db2.gz JAVCFNCAJSANQN-YOEHRIQHSA-N 1 0 413.440 2.899 20 0 HFADRO Cc1ccc(N2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CC2=O)cc1 ZINC000807068569 1080251273 /nfs/dbraw/zinc/25/12/73/1080251273.db2.gz LPWXFZVIAAHKSU-UHFFFAOYSA-N 1 0 407.518 2.665 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@H]2CCCc3nc(C)sc32)CC1 ZINC000807087896 1080264395 /nfs/dbraw/zinc/26/43/95/1080264395.db2.gz SWOSFTZIPUEPEV-SFHVURJKSA-N 1 0 410.584 2.598 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000807088970 1080265627 /nfs/dbraw/zinc/26/56/27/1080265627.db2.gz UGYXQCFVBQMLCZ-WIYYLYMNSA-N 1 0 401.551 2.509 20 0 HFADRO C[NH+](C)CC1(CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CCCC1 ZINC000807089651 1080268115 /nfs/dbraw/zinc/26/81/15/1080268115.db2.gz JCEKZOHHUCGCNP-HXUWFJFHSA-N 1 0 401.551 2.509 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000807090101 1080270249 /nfs/dbraw/zinc/27/02/49/1080270249.db2.gz NBJHZQOEAHGIHX-FGZHOGPDSA-N 1 0 413.562 2.747 20 0 HFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807091953 1080270770 /nfs/dbraw/zinc/27/07/70/1080270770.db2.gz QDVYPZZERGNJLV-RTWAWAEBSA-N 1 0 401.551 2.603 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807092161 1080272404 /nfs/dbraw/zinc/27/24/04/1080272404.db2.gz SVKZDPGOXXLNPU-UXHICEINSA-N 1 0 401.551 2.507 20 0 HFADRO C[C@@H](CCNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[NH+]1CCCCC1 ZINC000807107416 1080285777 /nfs/dbraw/zinc/28/57/77/1080285777.db2.gz ZKHQZHNAPPJZOW-VGWMRTNUSA-N 1 0 406.493 2.738 20 0 HFADRO CC(C)NC(=O)CSc1ccccc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000747372768 1080285825 /nfs/dbraw/zinc/28/58/25/1080285825.db2.gz AVZNQKCWCKKULN-BHIYHBOVSA-N 1 0 419.591 2.627 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807113847 1080290539 /nfs/dbraw/zinc/29/05/39/1080290539.db2.gz IKECZIJJASANGP-HOJAQTOUSA-N 1 0 402.539 2.817 20 0 HFADRO CON(Cc1ccccc1)C(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000807113771 1080291015 /nfs/dbraw/zinc/29/10/15/1080291015.db2.gz GJMMVQQWKVZBBX-RTBURBONSA-N 1 0 409.530 2.849 20 0 HFADRO COC1(CNC(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCCC1 ZINC000807137180 1080298424 /nfs/dbraw/zinc/29/84/24/1080298424.db2.gz ZBMMLVBUJRDIQN-GOSISDBHSA-N 1 0 424.586 2.672 20 0 HFADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1nc(Br)sc1C1CC1 ZINC000807166175 1080323013 /nfs/dbraw/zinc/32/30/13/1080323013.db2.gz RXPIIKZCWDTQEG-GFCCVEGCSA-N 1 0 402.358 2.750 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](C)C1 ZINC000807173649 1080327708 /nfs/dbraw/zinc/32/77/08/1080327708.db2.gz ASUWECOHMZCGPQ-SLEUVZQESA-N 1 0 402.322 2.914 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](C)C1 ZINC000807173648 1080327896 /nfs/dbraw/zinc/32/78/96/1080327896.db2.gz ASUWECOHMZCGPQ-HUBLWGQQSA-N 1 0 402.322 2.914 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1C ZINC000807214870 1080365959 /nfs/dbraw/zinc/36/59/59/1080365959.db2.gz RDDCQYVAPRAFKZ-SWDXFRIISA-N 1 0 400.523 2.763 20 0 HFADRO Cc1csc(C(C)(C)NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)n1 ZINC000807272649 1080426545 /nfs/dbraw/zinc/42/65/45/1080426545.db2.gz KWWRIWGPQDJONU-UHFFFAOYSA-N 1 0 415.563 2.583 20 0 HFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)COc1cccc(I)c1 ZINC001130895083 1080430105 /nfs/dbraw/zinc/43/01/05/1080430105.db2.gz DQRAOFOGPIBDBS-CYBMUJFWSA-N 1 0 402.276 2.659 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1ncc(NC(C)=O)c(C)n1 ZINC001170521380 1080457764 /nfs/dbraw/zinc/45/77/64/1080457764.db2.gz GWKGGLSTCIZPLA-UHFFFAOYSA-N 1 0 409.490 2.878 20 0 HFADRO CN(Cc1nnc2ccccn21)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000807256322 1080461668 /nfs/dbraw/zinc/46/16/68/1080461668.db2.gz VCAVNUZAQATGBC-UHFFFAOYSA-N 1 0 408.506 2.544 20 0 HFADRO Cc1cccc(CCCNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)n1 ZINC000807293358 1080483989 /nfs/dbraw/zinc/48/39/89/1080483989.db2.gz UNVFJNYUTLISSN-UHFFFAOYSA-N 1 0 423.561 2.608 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000807304376 1080498255 /nfs/dbraw/zinc/49/82/55/1080498255.db2.gz IEZKKYWMDHQRJG-NRFANRHFSA-N 1 0 424.549 2.632 20 0 HFADRO Cc1cc2c(cc1C)N(C(=O)C(=O)Nc1ccc(N3CCC[N@@H+](C)CC3)cc1)CC2 ZINC000807307993 1080501034 /nfs/dbraw/zinc/50/10/34/1080501034.db2.gz NGJISOALHQIJHG-UHFFFAOYSA-N 1 0 406.530 2.973 20 0 HFADRO COc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc(OC)c1C(C)C ZINC000807355635 1080518042 /nfs/dbraw/zinc/51/80/42/1080518042.db2.gz TXVSISDAKXFZSR-NVXWUHKLSA-N 1 0 403.523 2.851 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(Br)nc1C ZINC000807357996 1080519179 /nfs/dbraw/zinc/51/91/79/1080519179.db2.gz NNYZKEXHBWEOFF-UHFFFAOYSA-N 1 0 411.344 2.816 20 0 HFADRO COc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1C(C)C ZINC000807358286 1080519686 /nfs/dbraw/zinc/51/96/86/1080519686.db2.gz TXVRMZSXQHSRAJ-SJPCQFCGSA-N 1 0 403.523 2.849 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000807359114 1080519931 /nfs/dbraw/zinc/51/99/31/1080519931.db2.gz SBBDFHCEMKSVFA-UHFFFAOYSA-N 1 0 401.486 2.674 20 0 HFADRO CCOC(=O)C1=C(Nc2ccnc(CC(=O)OC)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522183 1080521197 /nfs/dbraw/zinc/52/11/97/1080521197.db2.gz BKYRJPVCNFJWRR-UHFFFAOYSA-N 1 0 409.486 2.932 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1 ZINC000807359363 1080522021 /nfs/dbraw/zinc/52/20/21/1080522021.db2.gz YZHGRKZERMPQHS-UHFFFAOYSA-N 1 0 408.474 2.667 20 0 HFADRO Cc1cc(C)cc(CCNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807427350 1080587884 /nfs/dbraw/zinc/58/78/84/1080587884.db2.gz QYNYOEVDYFSBIN-VWLOTQADSA-N 1 0 407.558 2.991 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000807401263 1080596136 /nfs/dbraw/zinc/59/61/36/1080596136.db2.gz LNEZVRHXTIGCIJ-DLVCFXQMSA-N 1 0 401.507 2.728 20 0 HFADRO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)NC(=O)OC(C)(C)C ZINC000807448197 1080626720 /nfs/dbraw/zinc/62/67/20/1080626720.db2.gz IDGGALZVPBXJEI-MRXNPFEDSA-N 1 0 415.538 2.755 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807453540 1080634667 /nfs/dbraw/zinc/63/46/67/1080634667.db2.gz OJXFTNXNWKJLFE-KXBFYZLASA-N 1 0 420.504 2.979 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000807496175 1080689456 /nfs/dbraw/zinc/68/94/56/1080689456.db2.gz JADMDELLSGGBCR-JXALWOEJSA-N 1 0 415.578 2.513 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000807503236 1080701287 /nfs/dbraw/zinc/70/12/87/1080701287.db2.gz AMOUPZSTXVWHIF-GBXCKJPGSA-N 1 0 415.578 2.515 20 0 HFADRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000807510151 1080715311 /nfs/dbraw/zinc/71/53/11/1080715311.db2.gz CMZNOGWHNWPYKX-UHFFFAOYSA-N 1 0 403.567 2.513 20 0 HFADRO O=C(c1nc(Br)sc1C1CC1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000807484025 1080739789 /nfs/dbraw/zinc/73/97/89/1080739789.db2.gz FJIXSFSNQUMLER-GFCCVEGCSA-N 1 0 414.369 2.967 20 0 HFADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(C4(O)COC4)cc3)c2C1 ZINC000807532939 1080746856 /nfs/dbraw/zinc/74/68/56/1080746856.db2.gz VHSOYQIIOCHGFL-INIZCTEOSA-N 1 0 423.513 2.842 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1C ZINC000807543478 1080758084 /nfs/dbraw/zinc/75/80/84/1080758084.db2.gz OVZCLCBKNXWZRS-UZLBHIALSA-N 1 0 424.501 2.891 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000807546919 1080763561 /nfs/dbraw/zinc/76/35/61/1080763561.db2.gz SLGUXJLSOXQPIP-ZMYBRWDISA-N 1 0 412.559 2.582 20 0 HFADRO COC[C@@]1(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550248 1080765923 /nfs/dbraw/zinc/76/59/23/1080765923.db2.gz DZFLDZWBRNIKJP-QFIPXVFZSA-N 1 0 424.586 2.672 20 0 HFADRO Cc1ccc(S(=O)(=O)NCCCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000807521354 1080773446 /nfs/dbraw/zinc/77/34/46/1080773446.db2.gz VNOTXGWXEXBFDQ-UHFFFAOYSA-N 1 0 409.596 2.787 20 0 HFADRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C[C@H]1c1ccc(O)cc1 ZINC001170527962 1080783625 /nfs/dbraw/zinc/78/36/25/1080783625.db2.gz SHFFVIORBPTUHI-YSIASYRMSA-N 1 0 410.470 2.502 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000747406067 1080792604 /nfs/dbraw/zinc/79/26/04/1080792604.db2.gz WFDKAPWNYQQGNQ-MAUKXSAKSA-N 1 0 417.579 2.821 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554378 1080803008 /nfs/dbraw/zinc/80/30/08/1080803008.db2.gz TWRHDXLVJYLNTC-KGVIQGDOSA-N 1 0 424.586 2.528 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000807560927 1080816812 /nfs/dbraw/zinc/81/68/12/1080816812.db2.gz XLLFJPZBEFUOQV-LJQANCHMSA-N 1 0 414.937 2.686 20 0 HFADRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000807560750 1080817507 /nfs/dbraw/zinc/81/75/07/1080817507.db2.gz HCPOJMFGSVFNLO-INIZCTEOSA-N 1 0 413.566 2.844 20 0 HFADRO Cc1cccn2c(=O)cc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)nc12 ZINC001460859524 1126192585 /nfs/dbraw/zinc/19/25/85/1126192585.db2.gz FDDGPZTXQHSHAP-HXUWFJFHSA-N 1 0 416.319 2.849 20 0 HFADRO COC(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1C ZINC001461633845 1126195508 /nfs/dbraw/zinc/19/55/08/1126195508.db2.gz OAZHWKZUUYWCAT-LJQANCHMSA-N 1 0 407.308 2.584 20 0 HFADRO COC(=O)c1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)n(C)c1C ZINC001474227093 1126203350 /nfs/dbraw/zinc/20/33/50/1126203350.db2.gz PZOFEIQNBBVDCY-LJQANCHMSA-N 1 0 409.324 2.966 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)s1 ZINC001560182174 1126208471 /nfs/dbraw/zinc/20/84/71/1126208471.db2.gz ATNVPBYHHJVRRO-QGZVFWFLSA-N 1 0 402.969 2.735 20 0 HFADRO Cn1ncc(Br)c1CN[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000225612063 568656772 /nfs/dbraw/zinc/65/67/72/568656772.db2.gz VFVADLLNWDATJM-CYBMUJFWSA-N 1 0 401.667 2.870 20 0 HFADRO Cn1ncc(Br)c1CN[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000225612092 568656786 /nfs/dbraw/zinc/65/67/86/568656786.db2.gz VFVADLLNWDATJM-ZDUSSCGKSA-N 1 0 401.667 2.870 20 0 HFADRO Cc1cccc(-c2cc(C(F)(F)N3CC(=O)NC4(CC[NH2+]CC4)C3)c(Cl)nn2)c1 ZINC001164391811 718809850 /nfs/dbraw/zinc/80/98/50/718809850.db2.gz JIVQIDNCQAADRQ-UHFFFAOYSA-N 1 0 421.879 2.709 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[NH2+]CCO[C@@H]3C2)n1 ZINC001164389855 718825159 /nfs/dbraw/zinc/82/51/59/718825159.db2.gz JYWSOFKHKPZILV-QZTJIDSGSA-N 1 0 409.559 2.987 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)n1 ZINC001164389857 718825489 /nfs/dbraw/zinc/82/54/89/718825489.db2.gz JYWSOFKHKPZILV-ZWKOTPCHSA-N 1 0 409.559 2.987 20 0 HFADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)cnc2Cl)c1 ZINC001164401274 718855205 /nfs/dbraw/zinc/85/52/05/718855205.db2.gz AFPHRDKOHFLLRI-BEFAXECRSA-N 1 0 409.864 2.974 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164433515 718971484 /nfs/dbraw/zinc/97/14/84/718971484.db2.gz LZWZXPSFBOYXCN-IAGOWNOFSA-N 1 0 405.848 2.987 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164618663 719007623 /nfs/dbraw/zinc/00/76/23/719007623.db2.gz SDVFMCSRSUKDKU-UGSOOPFHSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164617384 719007735 /nfs/dbraw/zinc/00/77/35/719007735.db2.gz NTEKZLNCTRVLTH-SCLBCKFNSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164617584 719008780 /nfs/dbraw/zinc/00/87/80/719008780.db2.gz OSKFOPBBXYWACC-KBXCAEBGSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(OC)c(NC(C)C)n3)CC2)CC1 ZINC001164615936 719020796 /nfs/dbraw/zinc/02/07/96/719020796.db2.gz KAEHKWHSSDAVKF-UHFFFAOYSA-N 1 0 405.543 2.549 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)cn3)CC2)CC1 ZINC001164614443 719022290 /nfs/dbraw/zinc/02/22/90/719022290.db2.gz SXXOUMFDUBTVHB-UHFFFAOYSA-N 1 0 402.873 2.919 20 0 HFADRO CCOC(=O)c1cc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)ncc1C ZINC001164616422 719027757 /nfs/dbraw/zinc/02/77/57/719027757.db2.gz DQWLSYGPOXOELX-UHFFFAOYSA-N 1 0 403.523 2.811 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc4nc(C(=O)OC)cc-4c[nH]3)CC2)CC1 ZINC001164617920 719030039 /nfs/dbraw/zinc/03/00/39/719030039.db2.gz RXTOUOUZUIEANS-UHFFFAOYSA-N 1 0 414.506 2.593 20 0 HFADRO COC(=O)c1cc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2n1C ZINC001164629198 719095690 /nfs/dbraw/zinc/09/56/90/719095690.db2.gz RAPJFXFAAHKBQX-YLJYHZDGSA-N 1 0 405.502 2.856 20 0 HFADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c2c1C ZINC001164618949 719122707 /nfs/dbraw/zinc/12/27/07/719122707.db2.gz APIVTCWHNBIWIJ-HOTGVXAUSA-N 1 0 419.570 2.654 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000508342136 719236626 /nfs/dbraw/zinc/23/66/26/719236626.db2.gz TZOJGURVEMYNPY-JKSUJKDBSA-N 1 0 415.607 2.931 20 0 HFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)C[C@@H]21 ZINC001164665747 719483706 /nfs/dbraw/zinc/48/37/06/719483706.db2.gz BHADVBLSQYSDJZ-DLBZAZTESA-N 1 0 408.893 2.773 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164683682 719725009 /nfs/dbraw/zinc/72/50/09/719725009.db2.gz CMPHVEMFMHMRHD-UHFFFAOYSA-N 1 0 422.957 2.871 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)CC2 ZINC001164689646 719741823 /nfs/dbraw/zinc/74/18/23/719741823.db2.gz JUMLTCJFEBNGGY-UHFFFAOYSA-N 1 0 420.517 2.774 20 0 HFADRO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164694974 719835789 /nfs/dbraw/zinc/83/57/89/719835789.db2.gz KABLXJWUGCPMOB-IBGZPJMESA-N 1 0 419.533 2.520 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc1OCC ZINC001164813929 720113251 /nfs/dbraw/zinc/11/32/51/720113251.db2.gz RRNXKOGYRBODPO-WZONZLPQSA-N 1 0 417.550 2.842 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)ncc1F)CC2 ZINC001164719088 720114813 /nfs/dbraw/zinc/11/48/13/720114813.db2.gz VTYCNVSFMPOOOZ-KRWDZBQOSA-N 1 0 401.486 2.527 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cccnc3n1)CC2 ZINC001164717455 720122187 /nfs/dbraw/zinc/12/21/87/720122187.db2.gz PCQNXTMXYAWHPP-HXUWFJFHSA-N 1 0 404.518 2.927 20 0 HFADRO CCNC(=O)c1cccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164718605 720126208 /nfs/dbraw/zinc/12/62/08/720126208.db2.gz TULASVZPRUWLSE-FQEVSTJZSA-N 1 0 423.561 2.734 20 0 HFADRO Cn1nnc2c1CCN(c1cc(Cl)cc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164711257 720166603 /nfs/dbraw/zinc/16/66/03/720166603.db2.gz AKXMVACZTSDPQH-HNNXBMFYSA-N 1 0 411.337 2.733 20 0 HFADRO Cn1nnc2c1CCN(c1nc(Cl)ccc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715443 720176310 /nfs/dbraw/zinc/17/63/10/720176310.db2.gz CFPKBQREJHQPFU-OAHLLOKOSA-N 1 0 411.337 2.733 20 0 HFADRO COc1cccc2c1ccnc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715821 720199854 /nfs/dbraw/zinc/19/98/54/720199854.db2.gz NHOAMVQCHMACOV-FQEVSTJZSA-N 1 0 422.533 2.588 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164812882 720201251 /nfs/dbraw/zinc/20/12/51/720201251.db2.gz MTEYCMPQSJRFQB-KDOFPFPSSA-N 1 0 416.900 2.868 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164815167 720202264 /nfs/dbraw/zinc/20/22/64/720202264.db2.gz WRMAGLFYJKPHGJ-PBHICJAKSA-N 1 0 402.873 2.739 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)C2 ZINC001164811848 720202429 /nfs/dbraw/zinc/20/24/29/720202429.db2.gz KFSJRZDRSVHJKZ-ZJTDPSCFSA-N 1 0 422.957 2.591 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccncc3)cn1)CCC2 ZINC001164814565 720234680 /nfs/dbraw/zinc/23/46/80/720234680.db2.gz YXWRKDGWJJVRQB-UHFFFAOYSA-N 1 0 404.518 2.951 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nccc(Cl)n2)CC1 ZINC001164821302 720297864 /nfs/dbraw/zinc/29/78/64/720297864.db2.gz JVCCAVWOYAIBEQ-GJZGRUSLSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc(C3CC3)n2)CC1 ZINC001164827835 720299014 /nfs/dbraw/zinc/29/90/14/720299014.db2.gz YHSPWCBCBOPUQX-DLBZAZTESA-N 1 0 403.958 2.919 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nn2)CC1 ZINC001164821034 720302921 /nfs/dbraw/zinc/30/29/21/720302921.db2.gz JFZMHFQSMUTSSU-HUUCEWRRSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3cccnc32)CC1 ZINC001164821345 720304260 /nfs/dbraw/zinc/30/42/60/720304260.db2.gz KAQBZGLZLXMAJN-SJORKVTESA-N 1 0 414.941 2.590 20 0 HFADRO COc1ccc2cnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164820160 720309633 /nfs/dbraw/zinc/30/96/33/720309633.db2.gz GYDABEHYJMGPLD-LEWJYISDSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc3nc[nH]c32)CC1 ZINC001164824541 720314465 /nfs/dbraw/zinc/31/44/65/720314465.db2.gz RMASWPOCXNXHQR-CABCVRRESA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(OC(C)(C)C)n2)CC1 ZINC001164830913 720320646 /nfs/dbraw/zinc/32/06/46/720320646.db2.gz QMPPZCFPOXEKQD-ROUUACIJSA-N 1 0 401.555 2.565 20 0 HFADRO COc1cccc2cnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164823274 720321251 /nfs/dbraw/zinc/32/12/51/720321251.db2.gz AFRNCMXEVCKHSJ-MOPGFXCFSA-N 1 0 409.534 2.550 20 0 HFADRO CCOc1ccc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164829839 720322696 /nfs/dbraw/zinc/32/26/96/720322696.db2.gz OHQVSUHFGNNBMR-FGZHOGPDSA-N 1 0 423.561 2.940 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(-c3cccnc3F)n2)CC1 ZINC001164825396 720329717 /nfs/dbraw/zinc/32/97/17/720329717.db2.gz DMPLPQKTHAVXFB-WOJBJXKFSA-N 1 0 424.524 2.589 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164823924 720335590 /nfs/dbraw/zinc/33/55/90/720335590.db2.gz BROXFHOXWKMLPT-IAGOWNOFSA-N 1 0 419.957 2.693 20 0 HFADRO COc1cccc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c21 ZINC001164828656 720341013 /nfs/dbraw/zinc/34/10/13/720341013.db2.gz PAAFZHVHRNQTHP-RTBURBONSA-N 1 0 409.534 2.550 20 0 HFADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccco2)n1 ZINC001164824243 720344996 /nfs/dbraw/zinc/34/49/96/720344996.db2.gz HTDYLSLIRSJPDQ-MOPGFXCFSA-N 1 0 409.534 2.957 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3c(nc2Cl)CCCC3)CC1 ZINC001164830666 720354592 /nfs/dbraw/zinc/35/45/92/720354592.db2.gz WLGNRHLBBYIDEM-RBUKOAKNSA-N 1 0 417.985 2.920 20 0 HFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164728324 720486235 /nfs/dbraw/zinc/48/62/35/720486235.db2.gz PEMZCQSWGRRSAO-IAGOWNOFSA-N 1 0 400.914 2.518 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4ccc(=O)n(C)c4n3)CC[C@@H]21 ZINC001164841473 720548747 /nfs/dbraw/zinc/54/87/47/720548747.db2.gz WBHGSDJHCWCXTF-UFYCRDLUSA-N 1 0 406.534 2.508 20 0 HFADRO COC(=O)c1ccc2c(ccnc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164730346 720559815 /nfs/dbraw/zinc/55/98/15/720559815.db2.gz UUANEJGPVWSUTF-UHFFFAOYSA-N 1 0 405.502 2.876 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc4c3CNC4=O)CC[C@@H]21 ZINC001164836314 720563133 /nfs/dbraw/zinc/56/31/33/720563133.db2.gz JODJGODOHPZZER-MPGHIAIKSA-N 1 0 414.941 2.553 20 0 HFADRO CNC(=O)c1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1Cl ZINC001164837381 720563811 /nfs/dbraw/zinc/56/38/11/720563811.db2.gz MEROHIVKAOCHPD-JFIYKMOQSA-N 1 0 416.957 2.669 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+][n-]c(Cl)c4ncnc3-4)CC[C@@H]21 ZINC001164836822 720566747 /nfs/dbraw/zinc/56/67/47/720566747.db2.gz LGEBYMWCSMCGBA-ILXRZTDVSA-N 1 0 400.918 2.581 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)N4CCCC4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833827 720574323 /nfs/dbraw/zinc/57/43/23/720574323.db2.gz BTORALOVVSVSDL-BHIFYINESA-N 1 0 422.577 2.892 20 0 HFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736637 720575459 /nfs/dbraw/zinc/57/54/59/720575459.db2.gz PTXWTEYFTLAJPG-PLNGDYQASA-N 1 0 420.517 2.604 20 0 HFADRO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843127 720601918 /nfs/dbraw/zinc/60/19/18/720601918.db2.gz WMUDOBWSZRNMLA-SVFBPWRDSA-N 1 0 410.566 2.796 20 0 HFADRO COC(=O)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1N ZINC001164844828 720679368 /nfs/dbraw/zinc/67/93/68/720679368.db2.gz VEQWYXCYSVKGDT-GOSISDBHSA-N 1 0 410.518 2.710 20 0 HFADRO CCOC(=O)c1nccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164845330 720690657 /nfs/dbraw/zinc/69/06/57/720690657.db2.gz YHWWWEQCLNGALO-IBGZPJMESA-N 1 0 410.518 2.913 20 0 HFADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742041 720697574 /nfs/dbraw/zinc/69/75/74/720697574.db2.gz VMOJGFPXNXVFEB-STQMWFEESA-N 1 0 420.851 2.893 20 0 HFADRO Clc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164741486 720699444 /nfs/dbraw/zinc/69/94/44/720699444.db2.gz TZHGERYYYDETRI-DLBZAZTESA-N 1 0 408.893 2.929 20 0 HFADRO CON(C)C(=O)c1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836451 720702778 /nfs/dbraw/zinc/70/27/78/720702778.db2.gz ATXVARBDFAIGEN-FQEVSTJZSA-N 1 0 424.545 2.975 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164840907 720720271 /nfs/dbraw/zinc/72/02/71/720720271.db2.gz SGMYEZZLJWOJAC-LJQANCHMSA-N 1 0 411.575 2.997 20 0 HFADRO Fc1cc2ncc(Cl)nc2cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742909 720777039 /nfs/dbraw/zinc/77/70/39/720777039.db2.gz PIURJATZYRTHBU-STQMWFEESA-N 1 0 400.845 2.554 20 0 HFADRO CCOc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738631 720781695 /nfs/dbraw/zinc/78/16/95/720781695.db2.gz GMPPSIQQIJOTSH-QUCCMNQESA-N 1 0 418.501 2.674 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747538 720800135 /nfs/dbraw/zinc/80/01/35/720800135.db2.gz OOTNTYYLUVPAJJ-SJORKVTESA-N 1 0 423.908 2.632 20 0 HFADRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1F ZINC001164745515 720802064 /nfs/dbraw/zinc/80/20/64/720802064.db2.gz KQUUANLJUXOCEE-SJORKVTESA-N 1 0 406.465 2.723 20 0 HFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164743381 720808839 /nfs/dbraw/zinc/80/88/39/720808839.db2.gz FSWBSWOJWZWBMJ-JENIJYKNSA-N 1 0 409.563 2.971 20 0 HFADRO FC(F)(c1nccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752074 720814429 /nfs/dbraw/zinc/81/44/29/720814429.db2.gz YNZLTLHWRPDLSC-ARFHVFGLSA-N 1 0 423.899 2.646 20 0 HFADRO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743347 720814686 /nfs/dbraw/zinc/81/46/86/720814686.db2.gz FGDPWKDWMXXHDP-HGHGUNKESA-N 1 0 407.497 2.740 20 0 HFADRO Clc1ccc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742101 720816166 /nfs/dbraw/zinc/81/61/66/720816166.db2.gz PUBJANSCYPEJBY-XYJFISCASA-N 1 0 424.940 2.649 20 0 HFADRO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739204 720819288 /nfs/dbraw/zinc/81/92/88/720819288.db2.gz HRYJOIGHKGTBQF-SFHLNBCPSA-N 1 0 403.534 2.909 20 0 HFADRO Fc1ccc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164738792 720824618 /nfs/dbraw/zinc/82/46/18/720824618.db2.gz GRLUQMSHCAVTGO-PLMTUMEDSA-N 1 0 407.497 2.740 20 0 HFADRO Cc1nc(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164742774 720824689 /nfs/dbraw/zinc/82/46/89/720824689.db2.gz QWRZMLKHOWPCRP-FGTMMUONSA-N 1 0 401.946 2.718 20 0 HFADRO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743339 720825490 /nfs/dbraw/zinc/82/54/90/720825490.db2.gz SHESNRRYKJANID-RBSFLKMASA-N 1 0 408.337 2.754 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745117 720828394 /nfs/dbraw/zinc/82/83/94/720828394.db2.gz WJYIZRZOWIPBED-OWCLPIDISA-N 1 0 419.986 2.823 20 0 HFADRO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164742136 720831401 /nfs/dbraw/zinc/83/14/01/720831401.db2.gz PYSHHNPGUMOCCQ-TUNNFDKTSA-N 1 0 403.534 2.909 20 0 HFADRO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751825 720834261 /nfs/dbraw/zinc/83/42/61/720834261.db2.gz YZYUCHNJFXZTPR-VDZJLULYSA-N 1 0 424.940 2.649 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(SC)n3)CC[C@@H]2C1 ZINC001164854270 720837060 /nfs/dbraw/zinc/83/70/60/720837060.db2.gz QWZFFUJXGMOKCY-CHWSQXEVSA-N 1 0 422.929 2.570 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@@H]2C1 ZINC001164854237 720838640 /nfs/dbraw/zinc/83/86/40/720838640.db2.gz QFWWWDQWCYFNSN-YLJYHZDGSA-N 1 0 402.926 2.971 20 0 HFADRO Clc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c2n1 ZINC001164750324 720841891 /nfs/dbraw/zinc/84/18/91/720841891.db2.gz XGGMRIXAPQBMKO-HLLBOEOZSA-N 1 0 412.929 2.582 20 0 HFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2s1 ZINC001164748877 720841996 /nfs/dbraw/zinc/84/19/96/720841996.db2.gz VAYCHSYTGFMGDZ-ZIFCJYIRSA-N 1 0 409.563 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccnc3C3SCCCS3)CC[C@@H]2C1 ZINC001164857094 720846832 /nfs/dbraw/zinc/84/68/32/720846832.db2.gz XHUQBFDRPYPXIO-CVEARBPZSA-N 1 0 410.609 2.519 20 0 HFADRO CCCSc1cncc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741929 720851155 /nfs/dbraw/zinc/85/11/55/720851155.db2.gz FYHQKDDLORPSKP-IPMKNSEASA-N 1 0 413.595 2.950 20 0 HFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748126 720852016 /nfs/dbraw/zinc/85/20/16/720852016.db2.gz KJLRMVUCPRBVCR-JAXLGGSGSA-N 1 0 416.533 2.510 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@H]2C1 ZINC001164852013 720857655 /nfs/dbraw/zinc/85/76/55/720857655.db2.gz BOURMVXOALZPMU-PZJWPPBQSA-N 1 0 410.518 2.507 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@H]2C1 ZINC001164858309 720865022 /nfs/dbraw/zinc/86/50/22/720865022.db2.gz RWOHIABNFUDQIK-JXFKEZNVSA-N 1 0 402.926 2.971 20 0 HFADRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164754819 720868039 /nfs/dbraw/zinc/86/80/39/720868039.db2.gz SPUJCJXCZHNIRC-REWPJTCUSA-N 1 0 409.534 2.635 20 0 HFADRO COc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747253 720877332 /nfs/dbraw/zinc/87/73/32/720877332.db2.gz AXYMUADAKMDMTL-NZQKXSOJSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC[C@@H]2C1 ZINC001164865243 720886036 /nfs/dbraw/zinc/88/60/36/720886036.db2.gz ZCQSGXVTWNXMCQ-QZTJIDSGSA-N 1 0 417.941 2.674 20 0 HFADRO COc1nc(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755383 720889617 /nfs/dbraw/zinc/88/96/17/720889617.db2.gz LSMHMVRMBXXALB-QPPBQGQZSA-N 1 0 423.561 2.944 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2CO[C@@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001164859132 720915111 /nfs/dbraw/zinc/91/51/11/720915111.db2.gz OZAVSSRIDUXKDV-KMFMINBZSA-N 1 0 404.898 2.725 20 0 HFADRO COCc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164746509 720932341 /nfs/dbraw/zinc/93/23/41/720932341.db2.gz BFAGEHGYUOAXQM-URXFXBBRSA-N 1 0 423.561 2.773 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868741 721045615 /nfs/dbraw/zinc/04/56/15/721045615.db2.gz QENZHPQFCUYFDJ-IRXDYDNUSA-N 1 0 416.909 2.786 20 0 HFADRO CCOC(=O)/C=C\c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870638 721050890 /nfs/dbraw/zinc/05/08/90/721050890.db2.gz WLGGOHQGVJOOJY-PNHFMCTPSA-N 1 0 408.502 2.533 20 0 HFADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(Cl)n1 ZINC001164871415 721072550 /nfs/dbraw/zinc/07/25/50/721072550.db2.gz YQDXSPJGZGJMKL-JKSUJKDBSA-N 1 0 409.868 2.858 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773493 721073816 /nfs/dbraw/zinc/07/38/16/721073816.db2.gz XJMRZGPHBCQVPV-HOTGVXAUSA-N 1 0 403.914 2.604 20 0 HFADRO COC(=O)c1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001164863524 721079581 /nfs/dbraw/zinc/07/95/81/721079581.db2.gz CNZOYPXFVNVFGN-NHCUHLMSSA-N 1 0 418.497 2.896 20 0 HFADRO CCOC(=O)c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1Cl ZINC001164763618 721081304 /nfs/dbraw/zinc/08/13/04/721081304.db2.gz GDYOXQHTZUAHEH-HOTGVXAUSA-N 1 0 403.914 2.604 20 0 HFADRO CSc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164865686 721081555 /nfs/dbraw/zinc/08/15/55/721081555.db2.gz OHJXBGZDEBHIJD-MSOLQXFVSA-N 1 0 411.575 2.952 20 0 HFADRO COc1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(Cl)n1 ZINC001164771990 721084810 /nfs/dbraw/zinc/08/48/10/721084810.db2.gz SXBISRLBIHNUAK-CABCVRRESA-N 1 0 411.884 2.980 20 0 HFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867637 721094384 /nfs/dbraw/zinc/09/43/84/721094384.db2.gz YZBUSVUDPSWTJM-LSDHHAIUSA-N 1 0 409.868 2.737 20 0 HFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164863815 721094652 /nfs/dbraw/zinc/09/46/52/721094652.db2.gz DHRILTNJKYUJMJ-ROUUACIJSA-N 1 0 416.909 2.786 20 0 HFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866006 721103754 /nfs/dbraw/zinc/10/37/54/721103754.db2.gz RADXAHJNYAUUOS-CVEARBPZSA-N 1 0 409.868 2.737 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@@H]3C2)cn1 ZINC001164765732 721107125 /nfs/dbraw/zinc/10/71/25/721107125.db2.gz KHKLVUUUCMAVOH-SJORKVTESA-N 1 0 413.526 2.515 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccnc(NC(=O)OC(C)(C)C)n4)C[C@@H]3C2)cn1 ZINC001164765729 721107241 /nfs/dbraw/zinc/10/72/41/721107241.db2.gz KHKLVUUUCMAVOH-IRXDYDNUSA-N 1 0 413.526 2.515 20 0 HFADRO COc1cc2c(cc1F)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865469 721111769 /nfs/dbraw/zinc/11/17/69/721111769.db2.gz LNNABGDIHMSZLI-SJORKVTESA-N 1 0 409.465 2.652 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880750 721153597 /nfs/dbraw/zinc/15/35/97/721153597.db2.gz XMFXRZDRVKLWTI-PMACEKPBSA-N 1 0 418.497 2.896 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(OCc5ccccc5)cnn4)C[C@H]3C2)cn1 ZINC001164772738 721153801 /nfs/dbraw/zinc/15/38/01/721153801.db2.gz VUWZKHWESJMAPM-LEWJYISDSA-N 1 0 404.518 2.747 20 0 HFADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164875416 721167585 /nfs/dbraw/zinc/16/75/85/721167585.db2.gz LMWKWDNDHGKGAC-NHCUHLMSSA-N 1 0 408.550 2.732 20 0 HFADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc21 ZINC001164869791 721169568 /nfs/dbraw/zinc/16/95/68/721169568.db2.gz BPZUQZKSMDHWQJ-OALUTQOASA-N 1 0 418.497 2.896 20 0 HFADRO CCCSc1ncnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1OC ZINC001164866453 721188206 /nfs/dbraw/zinc/18/82/06/721188206.db2.gz ASRWUTOCDKSWDX-MSOLQXFVSA-N 1 0 415.563 2.862 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)c1cnccn1)CCO2 ZINC001164870753 721217454 /nfs/dbraw/zinc/21/74/54/721217454.db2.gz HNSJMAIKESICEZ-IIBYNOLFSA-N 1 0 415.925 2.814 20 0 HFADRO COC(=O)c1cc(Cl)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1C ZINC001164760507 721236979 /nfs/dbraw/zinc/23/69/79/721236979.db2.gz FIRCPDFGEVWTQT-HOTGVXAUSA-N 1 0 403.914 2.522 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H]2COC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC001164887499 721339333 /nfs/dbraw/zinc/33/93/33/721339333.db2.gz UZVJPLOKGCXHGD-LAUBAEHRSA-N 1 0 407.942 2.558 20 0 HFADRO Cc1nc2cc(F)ccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890901 721397744 /nfs/dbraw/zinc/39/77/44/721397744.db2.gz PCQJWXBDRYXNNX-XXBNENTESA-N 1 0 413.541 2.843 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5[nH]ccc5cc4Cl)C3)O2)CC1 ZINC001164885799 721420594 /nfs/dbraw/zinc/42/05/94/721420594.db2.gz HMVSCWMSCDJIGV-DYESRHJHSA-N 1 0 403.958 2.933 20 0 HFADRO CC(C)COc1cccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897771 721427695 /nfs/dbraw/zinc/42/76/95/721427695.db2.gz URUNZTGJWCOVIM-NZQKXSOJSA-N 1 0 402.583 2.882 20 0 HFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccccn2)n1 ZINC001164894277 721432678 /nfs/dbraw/zinc/43/26/78/721432678.db2.gz LJVJPGLAIKTOGR-GBXCKJPGSA-N 1 0 422.577 2.612 20 0 HFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898411 721439148 /nfs/dbraw/zinc/43/91/48/721439148.db2.gz VYOAQPOURFOFJD-CVDCTZTESA-N 1 0 401.599 2.848 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(NC3CC3)n1)CC2 ZINC001164790375 721448574 /nfs/dbraw/zinc/44/85/74/721448574.db2.gz YPSHGOQSECEGHR-FQEVSTJZSA-N 1 0 415.582 2.785 20 0 HFADRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(N)=O ZINC001164897698 721513390 /nfs/dbraw/zinc/51/33/90/721513390.db2.gz GIAZXEMXAXJRKS-ZBFHGGJFSA-N 1 0 404.873 2.623 20 0 HFADRO Cc1cc(Cl)ncc1C(F)(F)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794218 721514119 /nfs/dbraw/zinc/51/41/19/721514119.db2.gz LFPDZJBDTSMCOQ-UHFFFAOYSA-N 1 0 410.900 2.552 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCCCC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164794539 721524996 /nfs/dbraw/zinc/52/49/96/721524996.db2.gz FSKWUIHZDUJNAA-MZKRTTBSSA-N 1 0 408.550 2.730 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc12 ZINC001164900822 721525097 /nfs/dbraw/zinc/52/50/97/721525097.db2.gz VCRYDFOVENDLLE-WBVHZDCISA-N 1 0 410.449 2.831 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCCCC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164794536 721525158 /nfs/dbraw/zinc/52/51/58/721525158.db2.gz FSKWUIHZDUJNAA-MIZPHKNDSA-N 1 0 408.550 2.730 20 0 HFADRO COCCn1ccc2c1ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906407 721538121 /nfs/dbraw/zinc/53/81/21/721538121.db2.gz KZSAJSCXCBYYEK-MJGOQNOKSA-N 1 0 411.481 2.559 20 0 HFADRO COC(=O)c1cc2ccncc2nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908157 721538440 /nfs/dbraw/zinc/53/84/40/721538440.db2.gz PDABEDQOTVMRKF-PKOBYXMFSA-N 1 0 422.460 2.897 20 0 HFADRO O=C1NCc2c1c(N1CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)nc(Cl)c2F ZINC001164908114 721539195 /nfs/dbraw/zinc/53/91/95/721539195.db2.gz OSICEIWZUPROKW-OCCSQVGLSA-N 1 0 420.847 2.599 20 0 HFADRO CCOc1ccc(C(=O)OC)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911026 721539757 /nfs/dbraw/zinc/53/97/57/721539757.db2.gz VEMMPUYVCFQIHM-SJLPKXTDSA-N 1 0 415.465 2.748 20 0 HFADRO CNC(=O)c1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164903425 721542052 /nfs/dbraw/zinc/54/20/52/721542052.db2.gz CLTCZQUAEIVYRA-GDBMZVCRSA-N 1 0 404.873 2.576 20 0 HFADRO CCOC(=O)c1ncnc(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908163 721550359 /nfs/dbraw/zinc/55/03/59/721550359.db2.gz PICDRKCGAIBWLA-GOEBONIOSA-N 1 0 420.872 2.788 20 0 HFADRO COC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1Cl ZINC001164806621 721552423 /nfs/dbraw/zinc/55/24/23/721552423.db2.gz PIGIVJNNFAEYMV-ABSDTBQOSA-N 1 0 416.909 2.785 20 0 HFADRO COC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1Cl ZINC001164806624 721552531 /nfs/dbraw/zinc/55/25/31/721552531.db2.gz PIGIVJNNFAEYMV-ZWOKBUDYSA-N 1 0 416.909 2.785 20 0 HFADRO O=c1ccccn1Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164911295 721555874 /nfs/dbraw/zinc/55/58/74/721555874.db2.gz YSSCFUNVBRUZTM-IRLDBZIGSA-N 1 0 420.488 2.773 20 0 HFADRO CN(C)C(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164907575 721555991 /nfs/dbraw/zinc/55/59/91/721555991.db2.gz OOTLUBPQIIWABX-WMZOPIPTSA-N 1 0 418.900 2.918 20 0 HFADRO C[C@@H]1CCCN(c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)ncn2)C1 ZINC001164800179 721585237 /nfs/dbraw/zinc/58/52/37/721585237.db2.gz CILIGHKGDJQGPA-KDNSLJGTSA-N 1 0 422.577 2.976 20 0 HFADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164905684 721709408 /nfs/dbraw/zinc/70/94/08/721709408.db2.gz IJXWJGHLAAVYNG-VBKZILBWSA-N 1 0 414.460 2.665 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3[nH]cc(Cl)c32)CC1 ZINC001165009342 721730145 /nfs/dbraw/zinc/73/01/45/721730145.db2.gz WSLJRCNEJOCZBA-UHFFFAOYSA-N 1 0 411.337 2.788 20 0 HFADRO CCOC(=O)c1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc2ccccc21 ZINC001165010154 721736878 /nfs/dbraw/zinc/73/68/78/721736878.db2.gz CQWJZKYBQWANMU-UHFFFAOYSA-N 1 0 424.545 2.935 20 0 HFADRO COC(=O)c1ccc2cc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ncc2c1 ZINC001165010254 721743011 /nfs/dbraw/zinc/74/30/11/721743011.db2.gz KXCVLPICKRMIHJ-UHFFFAOYSA-N 1 0 410.518 2.544 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc(Oc3ccc(F)cc3)n2)CC1 ZINC001165011388 721746889 /nfs/dbraw/zinc/74/68/89/721746889.db2.gz WBEMFNRCBWHXKT-UHFFFAOYSA-N 1 0 413.497 2.931 20 0 HFADRO CC(C)c1noc(-c2ccnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2)n1 ZINC001165012873 721748217 /nfs/dbraw/zinc/74/82/17/721748217.db2.gz QAKBLTJGWOABKK-UHFFFAOYSA-N 1 0 412.538 2.778 20 0 HFADRO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]c(C)cc5[nH]ccc54)CCO3)C2)cs1 ZINC001164923623 721829022 /nfs/dbraw/zinc/82/90/22/721829022.db2.gz SZUDMAROJGZNJH-OAQYLSRUSA-N 1 0 413.547 2.744 20 0 HFADRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164925091 721837265 /nfs/dbraw/zinc/83/72/65/721837265.db2.gz NQEZVDXAKYXICR-OFNKIYASSA-N 1 0 408.550 2.732 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(Cl)cc2C(N)=O)CC1 ZINC001165022315 721838486 /nfs/dbraw/zinc/83/84/86/721838486.db2.gz RDOZTZVFDLHGNP-UHFFFAOYSA-N 1 0 418.925 2.952 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2[C@@H](C)C(=O)N3)CC1 ZINC001165022007 721841714 /nfs/dbraw/zinc/84/17/14/721841714.db2.gz MBFAOZSIYDBLBM-CQSZACIVSA-N 1 0 411.506 2.650 20 0 HFADRO CCNC(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1 ZINC001165022997 721843310 /nfs/dbraw/zinc/84/33/10/721843310.db2.gz VUVUZUJYWFPQGV-UHFFFAOYSA-N 1 0 412.534 2.949 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1Cl ZINC001164926728 721855217 /nfs/dbraw/zinc/85/52/17/721855217.db2.gz JAUPOHYYQMYVBL-KGLIPLIRSA-N 1 0 401.338 2.780 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927102 721869780 /nfs/dbraw/zinc/86/97/80/721869780.db2.gz UOKCTSMXNPYEPB-HZPDHXFCSA-N 1 0 406.893 2.671 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933300 721883405 /nfs/dbraw/zinc/88/34/05/721883405.db2.gz LOFBZLMMYJUJAT-VQTJNVASSA-N 1 0 409.534 2.520 20 0 HFADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCC[C@@H]([NH+](C)C)C2)C1=O ZINC001165036542 721894757 /nfs/dbraw/zinc/89/47/57/721894757.db2.gz SMLAWSBJIROADB-QRWLVFNGSA-N 1 0 424.952 2.547 20 0 HFADRO CCOC(=O)c1nccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939705 721925810 /nfs/dbraw/zinc/92/58/10/721925810.db2.gz LKNDSCJLDMSWEM-UHFFFAOYSA-N 1 0 410.518 2.833 20 0 HFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165043613 721926321 /nfs/dbraw/zinc/92/63/21/721926321.db2.gz NDSIJNPJWBKTEV-KRWDZBQOSA-N 1 0 412.912 2.958 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5c(n4)NC(=O)CO5)CC3)C2)cc1 ZINC001164939377 721927079 /nfs/dbraw/zinc/92/70/79/721927079.db2.gz KQFQYFRPNRCQLB-UHFFFAOYSA-N 1 0 408.502 2.592 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@@H]32)nc1 ZINC001164952000 721985939 /nfs/dbraw/zinc/98/59/39/721985939.db2.gz NYHOZFSWMNTYQA-ZCNNSNEGSA-N 1 0 406.596 2.879 20 0 HFADRO COC(=O)c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1C(=O)OC ZINC001164952734 722013880 /nfs/dbraw/zinc/01/38/80/722013880.db2.gz AYHXXMXMTJNKTM-UHFFFAOYSA-N 1 0 424.501 2.542 20 0 HFADRO O=C1CCC(=O)N1Cc1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001164956073 722020127 /nfs/dbraw/zinc/02/01/27/722020127.db2.gz VZZTZIJCGDWTNT-UHFFFAOYSA-N 1 0 419.529 2.618 20 0 HFADRO Cc1ccc(N2C[C@]3(CCN(c4cccc(N5CC[NH+](C)CC5)n4)C3)CC2=O)s1 ZINC001164963639 722044054 /nfs/dbraw/zinc/04/40/54/722044054.db2.gz SCKRIOIYMIDRTK-JOCHJYFZSA-N 1 0 411.575 2.837 20 0 HFADRO CN(C)c1nc(Cl)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164958146 722051573 /nfs/dbraw/zinc/05/15/73/722051573.db2.gz DAOITHSTRZRWGN-UHFFFAOYSA-N 1 0 416.957 2.710 20 0 HFADRO Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1NC1CC1 ZINC001164958837 722051955 /nfs/dbraw/zinc/05/19/55/722051955.db2.gz GYIARDNLWIYSDP-UHFFFAOYSA-N 1 0 408.550 2.873 20 0 HFADRO c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(OC2CCC2)n1 ZINC001164961660 722061254 /nfs/dbraw/zinc/06/12/54/722061254.db2.gz NRQJVLXTRFMKCR-UHFFFAOYSA-N 1 0 409.534 2.922 20 0 HFADRO CS(=O)(=O)N1C[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]2c2ccccc21 ZINC001164972357 722090934 /nfs/dbraw/zinc/09/09/34/722090934.db2.gz GHTMCDMOJWQEKL-UYAOXDASSA-N 1 0 412.559 2.677 20 0 HFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980806 722102109 /nfs/dbraw/zinc/10/21/09/722102109.db2.gz KKUOAIRNOXGEPC-XPWGKKGLSA-N 1 0 422.529 2.780 20 0 HFADRO COC(=O)c1c(Cl)ccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984745 722102528 /nfs/dbraw/zinc/10/25/28/722102528.db2.gz UKTGVCLERJOSST-WMZOPIPTSA-N 1 0 416.909 2.644 20 0 HFADRO COC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985885 722102555 /nfs/dbraw/zinc/10/25/55/722102555.db2.gz XLAHKDARRWYHCX-FUHWJXTLSA-N 1 0 416.909 2.644 20 0 HFADRO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985878 722105858 /nfs/dbraw/zinc/10/58/58/722105858.db2.gz XJVYRSQUZYOIPP-NVXWUHKLSA-N 1 0 409.868 2.797 20 0 HFADRO Clc1nc2cccnc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982304 722106740 /nfs/dbraw/zinc/10/67/40/722106740.db2.gz NDXDCTYXARBFRJ-WMZOPIPTSA-N 1 0 410.909 2.801 20 0 HFADRO CCOc1nc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981884 722109546 /nfs/dbraw/zinc/10/95/46/722109546.db2.gz VJYVAMXMZDSFPJ-SJORKVTESA-N 1 0 403.914 2.651 20 0 HFADRO Clc1nc2cccnc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975810 722116228 /nfs/dbraw/zinc/11/62/28/722116228.db2.gz LBRAGVJMQYCOKJ-AEFFLSMTSA-N 1 0 410.909 2.801 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975625 722118385 /nfs/dbraw/zinc/11/83/85/722118385.db2.gz KBOINCRWEJDADR-PGRDOPGGSA-N 1 0 405.502 2.761 20 0 HFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983122 722119248 /nfs/dbraw/zinc/11/92/48/722119248.db2.gz YIDFMNLLMZFBOS-RTWAWAEBSA-N 1 0 423.561 2.732 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982693 722136576 /nfs/dbraw/zinc/13/65/76/722136576.db2.gz SCYYXKXEXODUOE-JKSUJKDBSA-N 1 0 405.955 2.974 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973287 722138369 /nfs/dbraw/zinc/13/83/69/722138369.db2.gz BQRYRLJOACXHCS-SFTDATJTSA-N 1 0 408.550 2.589 20 0 HFADRO Fc1cccc(-c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164978917 722145537 /nfs/dbraw/zinc/14/55/37/722145537.db2.gz KXLZWMIUPAATDG-TZIWHRDSSA-N 1 0 420.492 2.800 20 0 HFADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164992045 722187658 /nfs/dbraw/zinc/18/76/58/722187658.db2.gz RKTWMCWBIMKPKQ-HXUWFJFHSA-N 1 0 400.567 2.779 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc3c(Cl)ccnc31)CCC2 ZINC001164999601 722251572 /nfs/dbraw/zinc/25/15/72/722251572.db2.gz DNSNSBAYYKIRSV-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Oc1cccnc1Cl)CCC2 ZINC001165000495 722251814 /nfs/dbraw/zinc/25/18/14/722251814.db2.gz QKSQKWONMRXBCT-UHFFFAOYSA-N 1 0 415.872 2.845 20 0 HFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001165005989 722267932 /nfs/dbraw/zinc/26/79/32/722267932.db2.gz KXCUVHIZDPMKQR-XMMPIXPASA-N 1 0 423.536 2.744 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000790468125 1078045128 /nfs/dbraw/zinc/04/51/28/1078045128.db2.gz PATINYKSYIJEAJ-FQEVSTJZSA-N 1 0 402.466 2.956 20 0 HFADRO COc1cccc(C(=O)NCC[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000790469151 1078045369 /nfs/dbraw/zinc/04/53/69/1078045369.db2.gz OOVAGQOFWHUNGK-UHFFFAOYSA-N 1 0 411.502 2.816 20 0 HFADRO COC(=O)N1CCC([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)CC1 ZINC000790506149 1078047219 /nfs/dbraw/zinc/04/72/19/1078047219.db2.gz MLWHVZJFARRGRY-KRWDZBQOSA-N 1 0 420.554 2.635 20 0 HFADRO O[C@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)COc1ccc2c(c1)OCO2 ZINC000790531399 1078052413 /nfs/dbraw/zinc/05/24/13/1078052413.db2.gz OIPPJAPOTVTDGW-QGZVFWFLSA-N 1 0 415.877 2.843 20 0 HFADRO O=C(c1nc(Br)ccc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000790571310 1078058054 /nfs/dbraw/zinc/05/80/54/1078058054.db2.gz JVTIICSFNIVZSJ-SNVBAGLBSA-N 1 0 403.118 2.917 20 0 HFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H]1C ZINC000793026085 1078059018 /nfs/dbraw/zinc/05/90/18/1078059018.db2.gz FRVZLBVYZSXHLU-DVOMOZLQSA-N 1 0 423.453 2.926 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000790581698 1078061231 /nfs/dbraw/zinc/06/12/31/1078061231.db2.gz CHWILFFTAOHKQB-KRWDZBQOSA-N 1 0 413.559 2.753 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000790581702 1078061262 /nfs/dbraw/zinc/06/12/62/1078061262.db2.gz CHWILFFTAOHKQB-QGZVFWFLSA-N 1 0 413.559 2.753 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000793087383 1078065299 /nfs/dbraw/zinc/06/52/99/1078065299.db2.gz YCHJHZJBZDOZCN-CDMIOBSGSA-N 1 0 400.523 2.712 20 0 HFADRO C[C@H]1OCC[C@@]12CN(C(=S)NC1CC[NH+](Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC000790608676 1078074611 /nfs/dbraw/zinc/07/46/11/1078074611.db2.gz NPIUGJFCZPGARM-JBYIUTFZSA-N 1 0 403.592 2.794 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1nc(-c2cccc(Br)c2)no1 ZINC000790616674 1078077796 /nfs/dbraw/zinc/07/77/96/1078077796.db2.gz WDYLVZYBIINSPB-AWEZNQCLSA-N 1 0 424.368 2.948 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccnn2C2CCCCC2)cc1 ZINC000793108079 1078080725 /nfs/dbraw/zinc/08/07/25/1078080725.db2.gz FJANHDKVSGEOSG-LJQANCHMSA-N 1 0 413.522 2.755 20 0 HFADRO CNC(=O)c1ccc(C[NH2+]CC2(COC)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000790651691 1078094140 /nfs/dbraw/zinc/09/41/40/1078094140.db2.gz GNUCOCYBFYUPMW-UHFFFAOYSA-N 1 0 405.539 2.800 20 0 HFADRO C[N@H+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C1CCCCC1 ZINC000793213713 1078099277 /nfs/dbraw/zinc/09/92/77/1078099277.db2.gz DWEXJZPYJUNCTG-OYRHEFFESA-N 1 0 424.545 2.959 20 0 HFADRO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1nnnn1C1CC1 ZINC000790721314 1078108427 /nfs/dbraw/zinc/10/84/27/1078108427.db2.gz IFYQMRGZKVRMDS-VGSWGCGISA-N 1 0 409.538 2.767 20 0 HFADRO C[C@@H](CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000790737883 1078120360 /nfs/dbraw/zinc/12/03/60/1078120360.db2.gz NLFMUHJFXQRAOC-KRWDZBQOSA-N 1 0 404.555 2.718 20 0 HFADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790739453 1078120674 /nfs/dbraw/zinc/12/06/74/1078120674.db2.gz ZTEYLSGUSLUKCW-XTQVGHSUSA-N 1 0 404.501 2.995 20 0 HFADRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@H]3CN(Cc4ccccc4)CCO3)C2=O)cc1 ZINC000790748243 1078124369 /nfs/dbraw/zinc/12/43/69/1078124369.db2.gz MEAFEYXKRJDLKH-NKKJXINNSA-N 1 0 407.558 2.975 20 0 HFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000790779266 1078131568 /nfs/dbraw/zinc/13/15/68/1078131568.db2.gz LDCXWMASXASKTM-GOSISDBHSA-N 1 0 415.987 2.831 20 0 HFADRO COC(=O)[C@]12C[N@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C[C@H]1COCC2 ZINC000793346901 1078132991 /nfs/dbraw/zinc/13/29/91/1078132991.db2.gz TXNLTAFTQUFWAY-FDDCHVKYSA-N 1 0 416.518 2.996 20 0 HFADRO C[C@@H](CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000790795946 1078136956 /nfs/dbraw/zinc/13/69/56/1078136956.db2.gz BIELOHGUUFGPSN-SFHVURJKSA-N 1 0 418.582 2.966 20 0 HFADRO CCOC(=O)c1cn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1C(F)(F)F ZINC000772831230 1078137677 /nfs/dbraw/zinc/13/76/77/1078137677.db2.gz ZPWDVMVTRTZBLZ-BBRMVZONSA-N 1 0 400.445 2.985 20 0 HFADRO CS[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@@H]1[NH+](C)C ZINC000790823943 1078157158 /nfs/dbraw/zinc/15/71/58/1078157158.db2.gz GQJHGTDBFJOEFH-VHSXEESVSA-N 1 0 423.174 2.724 20 0 HFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793436071 1078171802 /nfs/dbraw/zinc/17/18/02/1078171802.db2.gz MTGLESJSYLUKBJ-BGYRXZFFSA-N 1 0 412.534 2.625 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000793461522 1078179704 /nfs/dbraw/zinc/17/97/04/1078179704.db2.gz MZWBWELAAYEUFH-AWEZNQCLSA-N 1 0 418.579 2.937 20 0 HFADRO CC(C)C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)[NH+](C)C ZINC000793499016 1078203300 /nfs/dbraw/zinc/20/33/00/1078203300.db2.gz ROWLZMSUJHPTIH-AABGKKOBSA-N 1 0 412.534 2.671 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(c1nccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170434874 1078210752 /nfs/dbraw/zinc/21/07/52/1078210752.db2.gz APQUZOVEKABLHD-MOPGFXCFSA-N 1 0 412.534 2.888 20 0 HFADRO COC(=O)c1ccc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000793584096 1078214952 /nfs/dbraw/zinc/21/49/52/1078214952.db2.gz KZZWRVBXMRKCNV-UHFFFAOYSA-N 1 0 417.259 2.622 20 0 HFADRO COC(=O)c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c(Br)c1 ZINC000793587786 1078215983 /nfs/dbraw/zinc/21/59/83/1078215983.db2.gz UJTCLNGMSSPIJE-SJLPKXTDSA-N 1 0 408.292 2.810 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]CC3CCC4(CC3)OCCO4)cc2)C1=O ZINC000793605143 1078222228 /nfs/dbraw/zinc/22/22/28/1078222228.db2.gz DUZHZAJCOGNTBI-QFIPXVFZSA-N 1 0 413.518 2.934 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000793628112 1078232301 /nfs/dbraw/zinc/23/23/01/1078232301.db2.gz DJGGODRQSSSHQE-SFHVURJKSA-N 1 0 424.545 2.516 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000793644682 1078239993 /nfs/dbraw/zinc/23/99/93/1078239993.db2.gz OPJPTBBJXOWSNI-LJQANCHMSA-N 1 0 423.557 2.727 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1 ZINC000793659467 1078242943 /nfs/dbraw/zinc/24/29/43/1078242943.db2.gz YPBGDFMQOBIDOE-IBGZPJMESA-N 1 0 423.557 2.904 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000793679864 1078252303 /nfs/dbraw/zinc/25/23/03/1078252303.db2.gz DZMIFDPRGGRPTB-SFHVURJKSA-N 1 0 405.539 2.928 20 0 HFADRO C[C@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793715160 1078262341 /nfs/dbraw/zinc/26/23/41/1078262341.db2.gz SCCNPKJRUXZUMQ-CABCVRRESA-N 1 0 415.456 2.580 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000793714579 1078262721 /nfs/dbraw/zinc/26/27/21/1078262721.db2.gz PRPKCAUTHJUTQX-YADARESESA-N 1 0 409.530 2.599 20 0 HFADRO Cc1ccc(C2=CCN(C(=O)C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)CC2)cc1 ZINC000793717627 1078264326 /nfs/dbraw/zinc/26/43/26/1078264326.db2.gz IOROYWZRZGEFGE-QHCPKHFHSA-N 1 0 405.542 2.900 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N(CCc1ccccc1)Cc1cccnc1)[NH+]1CCCCC1 ZINC000793720716 1078265484 /nfs/dbraw/zinc/26/54/84/1078265484.db2.gz HHXTXZBSSUPKBJ-FQEVSTJZSA-N 1 0 408.546 2.644 20 0 HFADRO CCN1C(=O)CN(CN2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)C1=O ZINC000793726715 1078268084 /nfs/dbraw/zinc/26/80/84/1078268084.db2.gz YJWKIUHOULKREO-NRFANRHFSA-N 1 0 400.567 2.893 20 0 HFADRO CCC[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000793754252 1078277882 /nfs/dbraw/zinc/27/78/82/1078277882.db2.gz SMWWZWRAQUMGGT-GBESFXJTSA-N 1 0 411.587 2.981 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793692778 1078270066 /nfs/dbraw/zinc/27/00/66/1078270066.db2.gz DTKSTBUAOKSVMI-SVFBPWRDSA-N 1 0 409.530 2.597 20 0 HFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C[C@@H]1C ZINC000793754923 1078278753 /nfs/dbraw/zinc/27/87/53/1078278753.db2.gz JAMKSICUBPVOKE-XAMWDVODSA-N 1 0 410.518 2.519 20 0 HFADRO C[NH+]1CCC2(CCCN2C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)CC1 ZINC000793759201 1078279454 /nfs/dbraw/zinc/27/94/54/1078279454.db2.gz DVABOKBBWZQIQV-UHFFFAOYSA-N 1 0 408.568 2.911 20 0 HFADRO COCC1(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793761361 1078280289 /nfs/dbraw/zinc/28/02/89/1078280289.db2.gz HHUKRIJOHZDPMD-UHFFFAOYSA-N 1 0 409.571 2.737 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)C(=O)c4c3ccc(Br)c4Cl)C2)C1 ZINC000793763163 1078281436 /nfs/dbraw/zinc/28/14/36/1078281436.db2.gz DAKJGVKHQFJCLS-QGZVFWFLSA-N 1 0 412.715 2.617 20 0 HFADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 ZINC000793741671 1078287405 /nfs/dbraw/zinc/28/74/05/1078287405.db2.gz FLFFMTDSIBEXIP-IBGZPJMESA-N 1 0 422.614 2.649 20 0 HFADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000793783600 1078293878 /nfs/dbraw/zinc/29/38/78/1078293878.db2.gz KFBVFGIRPXYBPD-VAMGGRTRSA-N 1 0 403.592 2.976 20 0 HFADRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)NC[C@@H]2CSCCS2)c2ccccc2)CC1 ZINC000793784882 1078294086 /nfs/dbraw/zinc/29/40/86/1078294086.db2.gz NUDAZIIDFPLSJA-MOPGFXCFSA-N 1 0 421.632 2.541 20 0 HFADRO Cc1ncc(CCNC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)s1 ZINC000793788172 1078296111 /nfs/dbraw/zinc/29/61/11/1078296111.db2.gz XNGWNOOXTHNEFH-FQEVSTJZSA-N 1 0 414.575 2.700 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793798893 1078301809 /nfs/dbraw/zinc/30/18/09/1078301809.db2.gz MKTIZAIUCGUWFJ-NLFFAJNJSA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000793777703 1078309353 /nfs/dbraw/zinc/30/93/53/1078309353.db2.gz FOWTWZVIRWLSDI-FQEVSTJZSA-N 1 0 409.530 2.613 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000793839420 1078311248 /nfs/dbraw/zinc/31/12/48/1078311248.db2.gz DQCWMKOMRBFXIC-FPOVZHCZSA-N 1 0 410.518 2.675 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000793839422 1078311332 /nfs/dbraw/zinc/31/13/32/1078311332.db2.gz DQCWMKOMRBFXIC-TZIWHRDSSA-N 1 0 410.518 2.675 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)([NH+](C)C)C1 ZINC000793812179 1078314799 /nfs/dbraw/zinc/31/47/99/1078314799.db2.gz KQTXSXXGFUNUHA-IDVKNYFZSA-N 1 0 421.607 2.789 20 0 HFADRO C[NH+](C)CC1(CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CCCC1 ZINC000793814603 1078315430 /nfs/dbraw/zinc/31/54/30/1078315430.db2.gz LNNMAWSXPVVLKS-PMACEKPBSA-N 1 0 424.545 2.817 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NOCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149007 1078318380 /nfs/dbraw/zinc/31/83/80/1078318380.db2.gz FBVMRUFDRLMZBZ-NVXWUHKLSA-N 1 0 413.440 2.586 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793878818 1078322162 /nfs/dbraw/zinc/32/21/62/1078322162.db2.gz QFIQHPSYZJNBKJ-OAQYLSRUSA-N 1 0 414.594 2.670 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)C1 ZINC000793872291 1078329693 /nfs/dbraw/zinc/32/96/93/1078329693.db2.gz KIBNFIYQXVOEAM-WSTZPKSXSA-N 1 0 419.566 2.946 20 0 HFADRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793873782 1078330816 /nfs/dbraw/zinc/33/08/16/1078330816.db2.gz FSBAFUDIIHHXAJ-UHFFFAOYSA-N 1 0 414.594 2.622 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901917 1078333249 /nfs/dbraw/zinc/33/32/49/1078333249.db2.gz OXTUSEIYXXBCRA-RTBURBONSA-N 1 0 414.594 2.695 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000793932436 1078341675 /nfs/dbraw/zinc/34/16/75/1078341675.db2.gz UANZSGKKTGMLAK-OIBXWCBGSA-N 1 0 423.557 2.829 20 0 HFADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000793957352 1078347362 /nfs/dbraw/zinc/34/73/62/1078347362.db2.gz KVDQTYCRJDNLIX-QUCCMNQESA-N 1 0 409.615 2.961 20 0 HFADRO CC1(C)CCC[N@H+](CCNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793973837 1078350397 /nfs/dbraw/zinc/35/03/97/1078350397.db2.gz XQGZLXHXWBEBTE-PMACEKPBSA-N 1 0 424.545 2.817 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000793945479 1078353962 /nfs/dbraw/zinc/35/39/62/1078353962.db2.gz DHECAKYGJSIZDY-PMACEKPBSA-N 1 0 407.599 2.526 20 0 HFADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000793944868 1078354506 /nfs/dbraw/zinc/35/45/06/1078354506.db2.gz FANTVEXBWSOYGH-UYAOXDASSA-N 1 0 409.615 2.914 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001170441683 1078356369 /nfs/dbraw/zinc/35/63/69/1078356369.db2.gz JKLCSFNCHBDDJB-JMUQELJHSA-N 1 0 400.519 2.744 20 0 HFADRO CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000794146923 1078378079 /nfs/dbraw/zinc/37/80/79/1078378079.db2.gz KHFPBVFEQYVERK-UYAOXDASSA-N 1 0 415.534 2.892 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000794207913 1078382618 /nfs/dbraw/zinc/38/26/18/1078382618.db2.gz UZIUUWHZSZSZMX-HYARGMPZSA-N 1 0 404.514 2.986 20 0 HFADRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NC3CC[NH+](CCc4ccccc4)CC3)[C@H]2C1 ZINC000794223412 1078386956 /nfs/dbraw/zinc/38/69/56/1078386956.db2.gz YWDHUQRDTSCPFJ-AERCQKQUSA-N 1 0 413.562 2.923 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 ZINC000794342848 1078420509 /nfs/dbraw/zinc/42/05/09/1078420509.db2.gz HHBYZKPGIHJRKT-IBGZPJMESA-N 1 0 422.529 2.799 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000794344760 1078420952 /nfs/dbraw/zinc/42/09/52/1078420952.db2.gz NRRLNNHTDBWHFR-QGZVFWFLSA-N 1 0 418.538 2.776 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000804389710 1078448276 /nfs/dbraw/zinc/44/82/76/1078448276.db2.gz WZUGPXPYVDJATJ-IIDMSEBBSA-N 1 0 403.498 2.651 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000804395995 1078452396 /nfs/dbraw/zinc/45/23/96/1078452396.db2.gz YWPLDDFEAALKEQ-GQQIISMTSA-N 1 0 400.441 2.660 20 0 HFADRO COC(=O)c1cnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C(F)(F)F ZINC000804399790 1078463838 /nfs/dbraw/zinc/46/38/38/1078463838.db2.gz GKZIOBPAELDQES-GASCZTMLSA-N 1 0 414.472 2.882 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cc2ccc(-n3cnnc3)cc2)c1 ZINC001129438595 1078465019 /nfs/dbraw/zinc/46/50/19/1078465019.db2.gz ZMSLSAYDLIKSLF-UHFFFAOYSA-N 1 0 406.490 2.729 20 0 HFADRO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001170450741 1078479660 /nfs/dbraw/zinc/47/96/60/1078479660.db2.gz GNOABAZWQFZSON-LJQANCHMSA-N 1 0 401.507 2.978 20 0 HFADRO Cn1cc(/C=C\C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC001129497668 1078487741 /nfs/dbraw/zinc/48/77/41/1078487741.db2.gz RMTSZVOBRKCEKS-WAYWQWQTSA-N 1 0 413.953 2.900 20 0 HFADRO O=C(Cn1ncc(=O)c2ccccc21)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001129485183 1078505673 /nfs/dbraw/zinc/50/56/73/1078505673.db2.gz DEROHXWQEWYFKN-HXUWFJFHSA-N 1 0 404.514 2.815 20 0 HFADRO Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486372 1078506418 /nfs/dbraw/zinc/50/64/18/1078506418.db2.gz IWDNSTCATXEVMZ-DENIHFKCSA-N 1 0 409.534 2.640 20 0 HFADRO Cc1ccccc1OCCCNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000804444325 1078509243 /nfs/dbraw/zinc/50/92/43/1078509243.db2.gz ZGHYTGPOYZIZRB-RUZDIDTESA-N 1 0 423.557 2.909 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447345 1078513815 /nfs/dbraw/zinc/51/38/15/1078513815.db2.gz CUJBMVRTIYLAIP-FQEVSTJZSA-N 1 0 423.561 2.646 20 0 HFADRO COc1cc(I)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001129801956 1078526209 /nfs/dbraw/zinc/52/62/09/1078526209.db2.gz VIAOCVYRSWXVGD-CYBMUJFWSA-N 1 0 402.276 2.855 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 ZINC001129802048 1078526712 /nfs/dbraw/zinc/52/67/12/1078526712.db2.gz XLALBZUUIKTHSM-UXHICEINSA-N 1 0 401.551 2.635 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)c1ccccc1 ZINC000804696140 1078537601 /nfs/dbraw/zinc/53/76/01/1078537601.db2.gz GUXMYQYPYWDLIC-MHECFPHRSA-N 1 0 411.546 2.646 20 0 HFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000804696015 1078538139 /nfs/dbraw/zinc/53/81/39/1078538139.db2.gz BLVNNYUTFRLGDE-MGPUTAFESA-N 1 0 409.534 2.524 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cc2ccn(CC(F)(F)F)n2)c1 ZINC001129548568 1078539459 /nfs/dbraw/zinc/53/94/59/1078539459.db2.gz QPARHOJMBJBZNP-UHFFFAOYSA-N 1 0 411.428 2.907 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000804525220 1078563410 /nfs/dbraw/zinc/56/34/10/1078563410.db2.gz IVLBKGRWSSRGBG-HOTGVXAUSA-N 1 0 411.543 2.553 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455336 1078556796 /nfs/dbraw/zinc/55/67/96/1078556796.db2.gz HXSXEIMAFYULLI-OPAMFIHVSA-N 1 0 420.506 2.879 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455328 1078556843 /nfs/dbraw/zinc/55/68/43/1078556843.db2.gz HXSXEIMAFYULLI-AOMKIAJQSA-N 1 0 420.506 2.879 20 0 HFADRO CO[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@@H]1CCOC1 ZINC001129564801 1078558245 /nfs/dbraw/zinc/55/82/45/1078558245.db2.gz ZRQIGJLIGYWYPC-CWKRKGSWSA-N 1 0 412.505 2.961 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000804519182 1078559298 /nfs/dbraw/zinc/55/92/98/1078559298.db2.gz OSILFTAKXZEZDQ-HSZRJFAPSA-N 1 0 408.546 2.728 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000804525096 1078563929 /nfs/dbraw/zinc/56/39/29/1078563929.db2.gz YFIVZOGYRJIZSJ-CJNGLKHVSA-N 1 0 405.955 2.972 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)Cc3ccc4cccnc4c3)cc2)CC1 ZINC001129870956 1078567983 /nfs/dbraw/zinc/56/79/83/1078567983.db2.gz CMNUKMDKNLWYBN-UHFFFAOYSA-N 1 0 416.525 2.791 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001170455025 1078570032 /nfs/dbraw/zinc/57/00/32/1078570032.db2.gz FZGPBYCULVOUMC-QFIPXVFZSA-N 1 0 423.557 2.713 20 0 HFADRO Cc1csc([C@](O)(CC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C(F)(F)F)n1 ZINC000804532796 1078570095 /nfs/dbraw/zinc/57/00/95/1078570095.db2.gz KKMOTWHOKNVBOU-GOSISDBHSA-N 1 0 413.465 2.934 20 0 HFADRO C[NH+](C)CC(C)(C)NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC001129599873 1078574266 /nfs/dbraw/zinc/57/42/66/1078574266.db2.gz GDXTWLMDBLHXED-UHFFFAOYSA-N 1 0 415.559 2.898 20 0 HFADRO COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001129905748 1078577515 /nfs/dbraw/zinc/57/75/15/1078577515.db2.gz PGOXPCQAYWNXKY-MWTRTKDXSA-N 1 0 417.550 2.914 20 0 HFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)C1 ZINC001129906029 1078578014 /nfs/dbraw/zinc/57/80/14/1078578014.db2.gz VFBMMLPCCQCJTC-ZHALLVOQSA-N 1 0 407.580 2.519 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000804777369 1078602356 /nfs/dbraw/zinc/60/23/56/1078602356.db2.gz ZUHWRYSMHKKSFZ-BAOGPQIGSA-N 1 0 406.490 2.922 20 0 HFADRO C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762579 1078613936 /nfs/dbraw/zinc/61/39/36/1078613936.db2.gz CYNITVFJNFNOLZ-QGZVFWFLSA-N 1 0 422.595 2.577 20 0 HFADRO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000804761245 1078611419 /nfs/dbraw/zinc/61/14/19/1078611419.db2.gz ZKWWDMCIUNFJLL-HXUWFJFHSA-N 1 0 416.566 2.515 20 0 HFADRO C[N@H+](CCC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCCCC1 ZINC000804761221 1078611438 /nfs/dbraw/zinc/61/14/38/1078611438.db2.gz YYAVNLJRVFFCLP-FQEVSTJZSA-N 1 0 422.614 2.795 20 0 HFADRO O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001129670457 1078629586 /nfs/dbraw/zinc/62/95/86/1078629586.db2.gz XWODQGKWVSJYQP-QGZVFWFLSA-N 1 0 414.412 2.857 20 0 HFADRO COC[C@@]1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000804786092 1078641815 /nfs/dbraw/zinc/64/18/15/1078641815.db2.gz BESMHTGAMKJJQD-AVRDEDQJSA-N 1 0 409.571 2.926 20 0 HFADRO CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C/N[C@@H](C)C[NH+](C)C)C2=O)cc1 ZINC000804600741 1078645227 /nfs/dbraw/zinc/64/52/27/1078645227.db2.gz DSOJNESWTAPRII-AKGOGDBKSA-N 1 0 421.497 2.931 20 0 HFADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)CCn1nnc2ccccc2c1=O ZINC001129683785 1078647474 /nfs/dbraw/zinc/64/74/74/1078647474.db2.gz IWVMNAYIRWFXTM-SFHVURJKSA-N 1 0 407.518 2.782 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccn(C(C)(C)C)c1=O ZINC001129971169 1078664479 /nfs/dbraw/zinc/66/44/79/1078664479.db2.gz WVCZNZIWEPYPEJ-TZIWHRDSSA-N 1 0 411.546 2.870 20 0 HFADRO CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC001170459824 1078667985 /nfs/dbraw/zinc/66/79/85/1078667985.db2.gz JFBNZMKCRYSRKD-UFYCRDLUSA-N 1 0 421.582 2.576 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000804828266 1078668266 /nfs/dbraw/zinc/66/82/66/1078668266.db2.gz LWDDVNBXKHXTAT-QFIPXVFZSA-N 1 0 422.573 2.882 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000804828179 1078668290 /nfs/dbraw/zinc/66/82/90/1078668290.db2.gz KKDVVDWSXUCYGP-RUZDIDTESA-N 1 0 422.573 2.787 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804833026 1078674277 /nfs/dbraw/zinc/67/42/77/1078674277.db2.gz CPNYQLYGWQHHQS-NRFANRHFSA-N 1 0 422.573 2.739 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000804833198 1078674345 /nfs/dbraw/zinc/67/43/45/1078674345.db2.gz KIUGHIVGAAAVKY-UHFFFAOYSA-N 1 0 402.583 2.633 20 0 HFADRO CC[C@H]1C[C@@H](CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCO1 ZINC001129742865 1078715738 /nfs/dbraw/zinc/71/57/38/1078715738.db2.gz VXBLXBOTZASVGB-FPOVZHCZSA-N 1 0 401.551 2.595 20 0 HFADRO CC[C@@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000804908228 1078730871 /nfs/dbraw/zinc/73/08/71/1078730871.db2.gz JUBJRKJMHIWFBF-FQEVSTJZSA-N 1 0 402.539 2.601 20 0 HFADRO C[C@H]1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804903354 1078758449 /nfs/dbraw/zinc/75/84/49/1078758449.db2.gz KPTIAEWFGUEPIS-VIRABCJISA-N 1 0 420.501 2.838 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000804945866 1078772662 /nfs/dbraw/zinc/77/26/62/1078772662.db2.gz UGNVXCYFAWDLOR-QHCPKHFHSA-N 1 0 410.562 2.529 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000804945631 1078773708 /nfs/dbraw/zinc/77/37/08/1078773708.db2.gz LVTZXMONSSFUJP-LPHOPBHVSA-N 1 0 420.554 2.824 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804950438 1078778593 /nfs/dbraw/zinc/77/85/93/1078778593.db2.gz BBOOPGOCTWXJMQ-QEOTZNIISA-N 1 0 420.520 2.841 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805013998 1078824006 /nfs/dbraw/zinc/82/40/06/1078824006.db2.gz MREGNVIUDOMMEZ-FQEVSTJZSA-N 1 0 402.539 2.676 20 0 HFADRO CC(C)N(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130057686 1078881117 /nfs/dbraw/zinc/88/11/17/1078881117.db2.gz LRJNFOLYYYSVEJ-GMAHTHKFSA-N 1 0 420.557 2.942 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)c1Cl ZINC000805112645 1078897705 /nfs/dbraw/zinc/89/77/05/1078897705.db2.gz CHCJCFCAACEDCB-NEPJUHHUSA-N 1 0 406.957 2.744 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1Cl ZINC000805074758 1078906093 /nfs/dbraw/zinc/90/60/93/1078906093.db2.gz ORXHYFIWKMGXOZ-RBUKOAKNSA-N 1 0 406.958 2.597 20 0 HFADRO O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000805075256 1078907250 /nfs/dbraw/zinc/90/72/50/1078907250.db2.gz VNCJEXQFSHMMLS-XUVXKRRUSA-N 1 0 407.942 2.970 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000805077128 1078908614 /nfs/dbraw/zinc/90/86/14/1078908614.db2.gz LNGCWZLROXZTSL-UHFFFAOYSA-N 1 0 401.891 2.635 20 0 HFADRO CN(CCc1ccccc1F)C(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805196050 1078969918 /nfs/dbraw/zinc/96/99/18/1078969918.db2.gz KQLCCPAWTRVANU-XMMPIXPASA-N 1 0 411.521 2.998 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000805198911 1078971786 /nfs/dbraw/zinc/97/17/86/1078971786.db2.gz VHWMULYDJLLNGH-JWQCQUIFSA-N 1 0 423.557 2.571 20 0 HFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)CC1 ZINC001130117455 1078987458 /nfs/dbraw/zinc/98/74/58/1078987458.db2.gz LUIDOISMWDRPSL-UHFFFAOYSA-N 1 0 405.539 2.985 20 0 HFADRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1)C(C)C ZINC001130119043 1078988520 /nfs/dbraw/zinc/98/85/20/1078988520.db2.gz KIEDFGMDEGYDNH-NRFANRHFSA-N 1 0 403.567 2.920 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000805296006 1078993046 /nfs/dbraw/zinc/99/30/46/1078993046.db2.gz SVHWQPZOLQFWOQ-FQEVSTJZSA-N 1 0 404.555 2.921 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000747235903 1079004494 /nfs/dbraw/zinc/00/44/94/1079004494.db2.gz JIFYDUTYCZJRSG-HUUCEWRRSA-N 1 0 412.387 2.623 20 0 HFADRO O=C(NOCc1ccc(F)cc1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805281160 1079006927 /nfs/dbraw/zinc/00/69/27/1079006927.db2.gz SZSNMUAYWUPOLK-JOCHJYFZSA-N 1 0 412.509 2.859 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000805286697 1079011459 /nfs/dbraw/zinc/01/14/59/1079011459.db2.gz RBKUVRXALJCEQE-OAQYLSRUSA-N 1 0 416.566 2.912 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000805333200 1079023321 /nfs/dbraw/zinc/02/33/21/1079023321.db2.gz KIZPQMJYADFUGV-PMPSAXMXSA-N 1 0 401.498 2.964 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000805333198 1079023461 /nfs/dbraw/zinc/02/34/61/1079023461.db2.gz KIZPQMJYADFUGV-OWCLPIDISA-N 1 0 401.498 2.964 20 0 HFADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@@]2(C)CC(C)C)c(=O)[nH]c1=O ZINC001170479551 1079033361 /nfs/dbraw/zinc/03/33/61/1079033361.db2.gz JSLBOXXEUFSVHZ-NRFANRHFSA-N 1 0 407.559 2.585 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000805359003 1079045476 /nfs/dbraw/zinc/04/54/76/1079045476.db2.gz WDZVHJBRKFGMEK-PKTZIBPZSA-N 1 0 411.546 2.873 20 0 HFADRO CO[C@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)c1cnn(C)c1 ZINC001130169799 1079050303 /nfs/dbraw/zinc/05/03/03/1079050303.db2.gz ZYYFVHRAHUWMSV-KRWDZBQOSA-N 1 0 424.343 2.507 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000805424570 1079057566 /nfs/dbraw/zinc/05/75/66/1079057566.db2.gz HNGJJOHYIHHRQF-LBPRGKRZSA-N 1 0 408.296 2.999 20 0 HFADRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001170481617 1079077737 /nfs/dbraw/zinc/07/77/37/1079077737.db2.gz WFTYIQXKQHBXOO-KZNAEPCWSA-N 1 0 400.441 2.869 20 0 HFADRO CC[C@@H]1C[C@@H](N(C2CC[NH2+]CC2)S(C)(=O)=O)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170481764 1079087353 /nfs/dbraw/zinc/08/73/53/1079087353.db2.gz AFYMAQFIGLHWBE-ALXJQNPVSA-N 1 0 417.616 2.957 20 0 HFADRO CN1C(=O)N[C@@](C)(c2ccc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C1=O ZINC001130225586 1079108744 /nfs/dbraw/zinc/10/87/44/1079108744.db2.gz BMCHQWGRULJLCA-HXOBKFHXSA-N 1 0 406.486 2.544 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000805636087 1079189653 /nfs/dbraw/zinc/18/96/53/1079189653.db2.gz KNXMKYJTOAQBAP-QYZOEREBSA-N 1 0 419.566 2.711 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc3ccccc3n2CC)C1 ZINC000805636380 1079189115 /nfs/dbraw/zinc/18/91/15/1079189115.db2.gz OQLRJYGUYSRGEG-KRWDZBQOSA-N 1 0 413.566 2.689 20 0 HFADRO CC[NH+](CC)Cc1ccc(Br)cc1Nc1[nH]c(=O)cnc1C(=O)OC ZINC001170486276 1079208509 /nfs/dbraw/zinc/20/85/09/1079208509.db2.gz MKKCAADHIAVIOM-UHFFFAOYSA-N 1 0 409.284 2.904 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3nccc(-c4cccnc4)n3)cc2)CC1 ZINC001170486699 1079225853 /nfs/dbraw/zinc/22/58/53/1079225853.db2.gz MWWFPNACDGVOGX-WWDZGPRUSA-N 1 0 402.502 2.910 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1 ZINC000747263269 1079227985 /nfs/dbraw/zinc/22/79/85/1079227985.db2.gz WKAVXDXMBJNFPE-JLHYYAGUSA-N 1 0 416.543 2.934 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805774557 1079246589 /nfs/dbraw/zinc/24/65/89/1079246589.db2.gz NFUGGYHZXNKBMI-HNNXBMFYSA-N 1 0 424.929 2.758 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000805793878 1079259669 /nfs/dbraw/zinc/25/96/69/1079259669.db2.gz OHEKOYGOHWUKPP-QFIPXVFZSA-N 1 0 412.538 2.928 20 0 HFADRO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)sc2n1 ZINC000805793843 1079259722 /nfs/dbraw/zinc/25/97/22/1079259722.db2.gz KRTLGPOUDUHCSD-HXUWFJFHSA-N 1 0 419.551 2.682 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)C1 ZINC000747268101 1079261192 /nfs/dbraw/zinc/26/11/92/1079261192.db2.gz UANHVYBZVBWAFW-CQSZACIVSA-N 1 0 400.516 2.791 20 0 HFADRO CSc1nc(C)c(CCC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC001130393498 1079273767 /nfs/dbraw/zinc/27/37/67/1079273767.db2.gz PPKDTYSGPCAIJC-NRFANRHFSA-N 1 0 400.548 2.926 20 0 HFADRO C[C@]1(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001130393710 1079273919 /nfs/dbraw/zinc/27/39/19/1079273919.db2.gz VHBBPWSXZKUMMS-QHCPKHFHSA-N 1 0 406.461 2.766 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001130368840 1079266356 /nfs/dbraw/zinc/26/63/56/1079266356.db2.gz BJFUWNQLUJMYOF-KURKYZTESA-N 1 0 407.580 2.804 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)C[N@H+](C)[C@@H](C)[C@H]3C)CC2)cc1C ZINC001130369979 1079268632 /nfs/dbraw/zinc/26/86/32/1079268632.db2.gz LOMRWUQUIMROML-CEXWTWQISA-N 1 0 421.607 2.644 20 0 HFADRO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@]2(COC)CCCN2C(=O)OC(C)(C)C)C1 ZINC000805857468 1079304934 /nfs/dbraw/zinc/30/49/34/1079304934.db2.gz CDTYWKJYSSHFSD-UWJYYQICSA-N 1 0 412.575 2.528 20 0 HFADRO CCN1C[C@H](C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)OC1=O ZINC001170490739 1079317857 /nfs/dbraw/zinc/31/78/57/1079317857.db2.gz ODVSBBAECZVYOU-HOCLYGCPSA-N 1 0 414.287 2.996 20 0 HFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000805877762 1079318121 /nfs/dbraw/zinc/31/81/21/1079318121.db2.gz RVCOUKYUXKPYTK-UHFFFAOYSA-N 1 0 415.353 2.779 20 0 HFADRO CC[N@H+](Cc1ccc(C(=O)OCC2(CS(C)(=O)=O)CCOCC2)cc1)C(C)C ZINC000805902924 1079327909 /nfs/dbraw/zinc/32/79/09/1079327909.db2.gz XYJICHLMOSPVRL-UHFFFAOYSA-N 1 0 411.564 2.915 20 0 HFADRO CC(C)(C)OC(=O)Cn1cc(COC(=O)c2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000805897444 1079325565 /nfs/dbraw/zinc/32/55/65/1079325565.db2.gz MWNGBEXKAMRKCG-UHFFFAOYSA-N 1 0 400.479 2.573 20 0 HFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)/C=C\c2ccccc2Br)CC1 ZINC000747276894 1079335748 /nfs/dbraw/zinc/33/57/48/1079335748.db2.gz HTRCUZYLEGSOSJ-ZROIWOOFSA-N 1 0 417.369 2.792 20 0 HFADRO COC(=O)[C@@]1(NC(=O)COCc2ccc(C)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130444509 1079345210 /nfs/dbraw/zinc/34/52/10/1079345210.db2.gz DNWJGKSYHLSLBB-XMMPIXPASA-N 1 0 410.514 2.836 20 0 HFADRO CCC(CC)(CNC(=O)C(=O)NC[C@H]1CSCCS1)[NH2+][C@@H](C)c1ccccc1 ZINC000805945785 1079346452 /nfs/dbraw/zinc/34/64/52/1079346452.db2.gz IASRDPYOLDKXAM-WMZOPIPTSA-N 1 0 423.648 2.977 20 0 HFADRO C[C@H](OCC(=O)OC[C@@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1)c1nccn1C ZINC000805923758 1079353536 /nfs/dbraw/zinc/35/35/36/1079353536.db2.gz PRFNAIFXYHMPGS-HKUYNNGSSA-N 1 0 401.507 2.721 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000806041270 1079411180 /nfs/dbraw/zinc/41/11/80/1079411180.db2.gz GEGLVROXSXMNFE-OIISXLGYSA-N 1 0 423.989 2.763 20 0 HFADRO O=S(=O)(Cc1ccccc1C[NH2+][C@@H]1CCc2nc(Cl)ccc21)N1CCOCC1 ZINC000806132148 1079435070 /nfs/dbraw/zinc/43/50/70/1079435070.db2.gz RMJDSJNHGWYSBG-GOSISDBHSA-N 1 0 421.950 2.674 20 0 HFADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806134645 1079435143 /nfs/dbraw/zinc/43/51/43/1079435143.db2.gz MHGSJUYDOPVWQW-QAPCUYQASA-N 1 0 421.950 2.969 20 0 HFADRO CCc1nc([C@H](C)NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)cs1 ZINC000806115971 1079443911 /nfs/dbraw/zinc/44/39/11/1079443911.db2.gz CUAPPTHJIOGCNV-INIZCTEOSA-N 1 0 402.564 2.516 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1C ZINC001130517931 1079448290 /nfs/dbraw/zinc/44/82/90/1079448290.db2.gz AUQODSWQAHEVCW-OALUTQOASA-N 1 0 407.580 2.772 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccco1 ZINC000806174521 1079464156 /nfs/dbraw/zinc/46/41/56/1079464156.db2.gz XYMOZTWIDDADQF-RHSMWYFYSA-N 1 0 424.523 2.712 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccco1 ZINC000806174523 1079464176 /nfs/dbraw/zinc/46/41/76/1079464176.db2.gz XYMOZTWIDDADQF-YOEHRIQHSA-N 1 0 424.523 2.712 20 0 HFADRO COc1ccc(OC)c(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130528788 1079465243 /nfs/dbraw/zinc/46/52/43/1079465243.db2.gz PMNKGOXQYLZSOK-GMAHTHKFSA-N 1 0 410.514 2.748 20 0 HFADRO COCCOc1cccc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130529732 1079466245 /nfs/dbraw/zinc/46/62/45/1079466245.db2.gz YOLTXJXQMMEOAP-XZOQPEGZSA-N 1 0 410.514 2.827 20 0 HFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806146716 1079467089 /nfs/dbraw/zinc/46/70/89/1079467089.db2.gz CTCDEOMCVIYBQZ-INIZCTEOSA-N 1 0 408.907 2.600 20 0 HFADRO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000806165249 1079475121 /nfs/dbraw/zinc/47/51/21/1079475121.db2.gz FBYMSAAZBHJRTC-ROUUACIJSA-N 1 0 412.575 2.576 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000787335661 1076746972 /nfs/dbraw/zinc/74/69/72/1076746972.db2.gz MNONPHUCPNJZCY-FQEVSTJZSA-N 1 0 419.566 2.823 20 0 HFADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000787335177 1076755157 /nfs/dbraw/zinc/75/51/57/1076755157.db2.gz HBIUIFOGMVJYDZ-STZFKDTASA-N 1 0 408.481 2.539 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)CN2C(=S)N=NC2c2cccs2)cc1 ZINC000787337617 1076783164 /nfs/dbraw/zinc/78/31/64/1076783164.db2.gz TWQABSDZJQUSDT-UHFFFAOYSA-N 1 0 401.561 2.716 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000787415027 1076798117 /nfs/dbraw/zinc/79/81/17/1076798117.db2.gz ACDZMUUWBRDYMZ-UHFFFAOYSA-N 1 0 405.948 2.569 20 0 HFADRO CC(C)[S@](=O)c1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc1 ZINC001170072604 1076803228 /nfs/dbraw/zinc/80/32/28/1076803228.db2.gz CMRABGLGINFHAY-MHZLTWQESA-N 1 0 417.556 2.905 20 0 HFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC[N@@H+]1C ZINC000787388320 1076805119 /nfs/dbraw/zinc/80/51/19/1076805119.db2.gz UKUHXUIFBXKFML-PMPSAXMXSA-N 1 0 405.543 2.689 20 0 HFADRO Cc1ccc(C2=CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)cc1 ZINC000787459178 1076819061 /nfs/dbraw/zinc/81/90/61/1076819061.db2.gz VRVAWUXSVFNTDX-UHFFFAOYSA-N 1 0 407.518 2.713 20 0 HFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787435125 1076822496 /nfs/dbraw/zinc/82/24/96/1076822496.db2.gz YUYSOBYIDSFDLD-IAGOWNOFSA-N 1 0 419.570 2.842 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC(c4ccc(F)cc4)CC3)n2)CC1 ZINC000787512571 1076830928 /nfs/dbraw/zinc/83/09/28/1076830928.db2.gz AYKOXRIXWOZLGS-UHFFFAOYSA-N 1 0 413.497 2.634 20 0 HFADRO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]2CCC1CC2)OCc1ccccc1 ZINC000787523264 1076846351 /nfs/dbraw/zinc/84/63/51/1076846351.db2.gz JLYGBKIQBWYEHI-QFIPXVFZSA-N 1 0 407.514 2.831 20 0 HFADRO CCOc1ccc(-n2ncc(C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)c2C)nn1 ZINC000746689873 1076858711 /nfs/dbraw/zinc/85/87/11/1076858711.db2.gz YCZLFGWQUDCGMN-UHFFFAOYSA-N 1 0 408.506 2.703 20 0 HFADRO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC000787608771 1076876989 /nfs/dbraw/zinc/87/69/89/1076876989.db2.gz UWNQFDLORNJJQB-GOSISDBHSA-N 1 0 416.566 2.573 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)[NH+]1CCCCC1 ZINC000787611714 1076878416 /nfs/dbraw/zinc/87/84/16/1076878416.db2.gz VSUZPIZNGQTDTM-FXAWDEMLSA-N 1 0 420.985 2.584 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1ccc([C@@H](C)O)cc1)c1ccsc1 ZINC000787615250 1076879180 /nfs/dbraw/zinc/87/91/80/1076879180.db2.gz IEXMSQBDNLVKAZ-DNVCBOLYSA-N 1 0 403.548 2.617 20 0 HFADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)[NH+]1CCC(C)CC1 ZINC000787616153 1076879533 /nfs/dbraw/zinc/87/95/33/1076879533.db2.gz LPGJSHSAXSAAOV-AQNXPRMDSA-N 1 0 419.566 2.567 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1cc(C)on1)c1ccsc1 ZINC000787618790 1076880842 /nfs/dbraw/zinc/88/08/42/1076880842.db2.gz YXVATGKYAGGYRK-ROUUACIJSA-N 1 0 404.536 2.907 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000746700967 1076881351 /nfs/dbraw/zinc/88/13/51/1076881351.db2.gz BQOVDJAZFKSGHU-HBGVWJBISA-N 1 0 408.564 2.880 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1cc(C)on1)Cc1ccccc1 ZINC000787623619 1076882314 /nfs/dbraw/zinc/88/23/14/1076882314.db2.gz AZIGLCUFRWDIID-FPOVZHCZSA-N 1 0 412.534 2.716 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)N[C@H](C)COc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000787631193 1076883881 /nfs/dbraw/zinc/88/38/81/1076883881.db2.gz ISHJHFDQRXPWDZ-NQIIRXRSSA-N 1 0 409.530 2.523 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(NS(=O)(=O)/C=C\c4ccccc4)cc3)C[C@H]2C1 ZINC000787636106 1076886278 /nfs/dbraw/zinc/88/62/78/1076886278.db2.gz OVTNOOBNMDWCBV-ZSLAFEKQSA-N 1 0 411.527 2.733 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(Br)ncc1Cl ZINC000787674099 1076889558 /nfs/dbraw/zinc/88/95/58/1076889558.db2.gz SJXJSXDPOSXPAT-NSHDSACASA-N 1 0 402.720 2.823 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1)CCC2 ZINC000787668470 1076904925 /nfs/dbraw/zinc/90/49/25/1076904925.db2.gz FEHZMGKTWACJLB-IBGZPJMESA-N 1 0 403.571 2.728 20 0 HFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668848 1076905180 /nfs/dbraw/zinc/90/51/80/1076905180.db2.gz HPOAZHXSCLPLJI-NVXWUHKLSA-N 1 0 411.468 2.869 20 0 HFADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C1 ZINC000787707472 1076919856 /nfs/dbraw/zinc/91/98/56/1076919856.db2.gz FVCBLDLSISYNSU-SUWCGCSTSA-N 1 0 411.587 2.764 20 0 HFADRO CC(C)COC(=O)N1CCC[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787706670 1076920200 /nfs/dbraw/zinc/92/02/00/1076920200.db2.gz CATMPABONVDTQG-DYESRHJHSA-N 1 0 413.559 2.547 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H](N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000787710119 1076921328 /nfs/dbraw/zinc/92/13/28/1076921328.db2.gz ZZSBBOCIUIKABM-REWPJTCUSA-N 1 0 403.567 2.607 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000787710118 1076921387 /nfs/dbraw/zinc/92/13/87/1076921387.db2.gz ZZSBBOCIUIKABM-OFNKIYASSA-N 1 0 403.567 2.607 20 0 HFADRO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000787713526 1076923439 /nfs/dbraw/zinc/92/34/39/1076923439.db2.gz ZQOHDTWYCMJQIV-QGZVFWFLSA-N 1 0 400.523 2.877 20 0 HFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000787754520 1076927694 /nfs/dbraw/zinc/92/76/94/1076927694.db2.gz ABRLAZQAGOHAMQ-SFHVURJKSA-N 1 0 417.531 2.520 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)CCN1C(=O)OC(C)(C)C ZINC000787759413 1076929097 /nfs/dbraw/zinc/92/90/97/1076929097.db2.gz GELYJUGJHUJMHC-BBWFWOEESA-N 1 0 412.527 2.593 20 0 HFADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000787761248 1076929886 /nfs/dbraw/zinc/92/98/86/1076929886.db2.gz SBLQIJCNWWZUFA-RTWAWAEBSA-N 1 0 411.933 2.877 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CC1 ZINC000787731097 1076933833 /nfs/dbraw/zinc/93/38/33/1076933833.db2.gz QYBJRAKTOAWJJO-GOSISDBHSA-N 1 0 417.959 2.770 20 0 HFADRO O=C(NCCc1ccc(Cl)nc1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787736512 1076935449 /nfs/dbraw/zinc/93/54/49/1076935449.db2.gz KIZCZIYWQZQAFE-LJQANCHMSA-N 1 0 414.937 2.737 20 0 HFADRO C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)c2)CC1 ZINC000787833914 1076957727 /nfs/dbraw/zinc/95/77/27/1076957727.db2.gz OHYXWZQWBJQZLP-FQEVSTJZSA-N 1 0 405.901 2.690 20 0 HFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C(F)(F)F)nc3Cl)cn2)CC1 ZINC000772707833 1076964611 /nfs/dbraw/zinc/96/46/11/1076964611.db2.gz IMCXPHSOKXMWAU-UHFFFAOYSA-N 1 0 413.831 2.831 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000787891232 1076980109 /nfs/dbraw/zinc/98/01/09/1076980109.db2.gz QGTFDNZHZDZWIB-IBGZPJMESA-N 1 0 403.523 2.659 20 0 HFADRO CC(C)CCC[C@@H](C)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001170079295 1076986943 /nfs/dbraw/zinc/98/69/43/1076986943.db2.gz BUPRBNMGWVZUNL-AYOQOUSVSA-N 1 0 406.596 2.565 20 0 HFADRO CCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC000787867842 1076987690 /nfs/dbraw/zinc/98/76/90/1076987690.db2.gz FRDSUQGJNHHQJZ-IAGOWNOFSA-N 1 0 405.539 2.652 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787903153 1076987977 /nfs/dbraw/zinc/98/79/77/1076987977.db2.gz KEDCAGGLDDFFNI-JVIIGWRGSA-N 1 0 415.578 2.704 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000787908076 1076990453 /nfs/dbraw/zinc/99/04/53/1076990453.db2.gz GWXVZNBERCJXJO-KNQAVFIVSA-N 1 0 415.578 2.899 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)CCC2 ZINC000787916670 1076994223 /nfs/dbraw/zinc/99/42/23/1076994223.db2.gz YIRGTSUOOCGTJR-RLFYNMQTSA-N 1 0 406.596 2.819 20 0 HFADRO CC(C)CCC[C@H](C)[N@@H+]1CCOC[C@]2(CC[C@@H](CNC(=O)c3cnccn3)O2)C1 ZINC001170079624 1076995320 /nfs/dbraw/zinc/99/53/20/1076995320.db2.gz FESAZUDYQHQNOP-IPJJNNNSSA-N 1 0 404.555 2.671 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1F)C1CCCCC1 ZINC000787919899 1076997407 /nfs/dbraw/zinc/99/74/07/1076997407.db2.gz MYBMWXAKCPPBJA-UHFFFAOYSA-N 1 0 402.514 2.840 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]3CCC(C)CC3)C2)cc1 ZINC000787894934 1077002913 /nfs/dbraw/zinc/00/29/13/1077002913.db2.gz OFXLWVZQVYLOEB-OAQYLSRUSA-N 1 0 414.594 2.708 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000787898451 1077003891 /nfs/dbraw/zinc/00/38/91/1077003891.db2.gz KUWYAOKPKFOENZ-UHFFFAOYSA-N 1 0 415.925 2.542 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(CNC(=O)OC)cc2)cc1 ZINC000787901810 1077005042 /nfs/dbraw/zinc/00/50/42/1077005042.db2.gz PBTRPVFQRFMHOS-UHFFFAOYSA-N 1 0 412.490 2.962 20 0 HFADRO C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000787962440 1077010409 /nfs/dbraw/zinc/01/04/09/1077010409.db2.gz PAVOOHREDLPLOU-CYFREDJKSA-N 1 0 409.530 2.842 20 0 HFADRO COc1ccc(C(=O)OCCC[NH+]2CCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000787971046 1077012882 /nfs/dbraw/zinc/01/28/82/1077012882.db2.gz OPLYNHABGIMSOH-UHFFFAOYSA-N 1 0 424.563 2.903 20 0 HFADRO C[NH+](C)[C@H](CNC(=O)NC[C@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000746719259 1077014850 /nfs/dbraw/zinc/01/48/50/1077014850.db2.gz AHTLQVFMASBGBH-PKOBYXMFSA-N 1 0 409.889 2.821 20 0 HFADRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000787996715 1077022508 /nfs/dbraw/zinc/02/25/08/1077022508.db2.gz ZKAYIGGJFBNJJC-CRAIPNDOSA-N 1 0 406.552 2.654 20 0 HFADRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787985225 1077032768 /nfs/dbraw/zinc/03/27/68/1077032768.db2.gz APUNLQYPAQWCLA-NQIIRXRSSA-N 1 0 407.599 2.859 20 0 HFADRO COC(=O)NCCc1ccc(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)s1 ZINC000788023870 1077034121 /nfs/dbraw/zinc/03/41/21/1077034121.db2.gz IVQIHHISYXEDRV-UHFFFAOYSA-N 1 0 417.597 2.580 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC000788038387 1077036136 /nfs/dbraw/zinc/03/61/36/1077036136.db2.gz BAOPGWZAPLMMDH-OPAMFIHVSA-N 1 0 400.450 2.883 20 0 HFADRO Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)nc1 ZINC000788051614 1077042112 /nfs/dbraw/zinc/04/21/12/1077042112.db2.gz LJQLWOCUSAFSHL-UHFFFAOYSA-N 1 0 408.462 2.518 20 0 HFADRO O=C(NOC[C@@H]1CCOC1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788125938 1077060618 /nfs/dbraw/zinc/06/06/18/1077060618.db2.gz PSVWRJAUTMNVQA-MRXNPFEDSA-N 1 0 401.429 2.891 20 0 HFADRO C[C@H](C(=O)OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc21 ZINC000788139049 1077063097 /nfs/dbraw/zinc/06/30/97/1077063097.db2.gz ISQNNDHSMPGDPP-LJQANCHMSA-N 1 0 421.541 2.893 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2C)C1 ZINC000746728312 1077063342 /nfs/dbraw/zinc/06/33/42/1077063342.db2.gz ILIPCTIHXWXREJ-KRWDZBQOSA-N 1 0 404.511 2.916 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000788241707 1077084997 /nfs/dbraw/zinc/08/49/97/1077084997.db2.gz NAXXKAMXUOGGFJ-ZWKOTPCHSA-N 1 0 411.568 2.781 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000788241699 1077085214 /nfs/dbraw/zinc/08/52/14/1077085214.db2.gz NAXXKAMXUOGGFJ-QZTJIDSGSA-N 1 0 411.568 2.781 20 0 HFADRO COc1ccc([C@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000788262954 1077088574 /nfs/dbraw/zinc/08/85/74/1077088574.db2.gz JAZYMKHBOJJPDN-XLIONFOSSA-N 1 0 424.549 2.915 20 0 HFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)ncc1Cl ZINC000788307609 1077093217 /nfs/dbraw/zinc/09/32/17/1077093217.db2.gz KQKHJCMPNVCGLV-GJZGRUSLSA-N 1 0 416.747 2.995 20 0 HFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788288692 1077098761 /nfs/dbraw/zinc/09/87/61/1077098761.db2.gz RLYFKTWMOWJQLA-SFTDATJTSA-N 1 0 422.529 2.569 20 0 HFADRO CCC[C@H]1CN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC[N@@H+]1Cc1ccccc1 ZINC000788366233 1077128606 /nfs/dbraw/zinc/12/86/06/1077128606.db2.gz AMFCEVBCKMQIKR-NRFANRHFSA-N 1 0 406.534 2.588 20 0 HFADRO CC[N@H+](CCC1CCN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC1)CC(C)C ZINC000788371746 1077131148 /nfs/dbraw/zinc/13/11/48/1077131148.db2.gz TYQKFHLEBUDEOL-UHFFFAOYSA-N 1 0 400.571 2.681 20 0 HFADRO Cn1cc(-c2ccc(=O)n(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)n2)cn1 ZINC000788372872 1077131737 /nfs/dbraw/zinc/13/17/37/1077131737.db2.gz GQMALJSXMUCTDF-NZQKXSOJSA-N 1 0 418.545 2.588 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000788428422 1077143489 /nfs/dbraw/zinc/14/34/89/1077143489.db2.gz FGURUHQIJRNTHZ-JQHSSLGASA-N 1 0 421.538 2.792 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)c2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788505549 1077185456 /nfs/dbraw/zinc/18/54/56/1077185456.db2.gz HPQZLYCEYIKFGU-HOTGVXAUSA-N 1 0 410.511 2.872 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788541121 1077194071 /nfs/dbraw/zinc/19/40/71/1077194071.db2.gz WNSWUMVGCYNBNM-CYBMUJFWSA-N 1 0 403.470 2.697 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(OC)c(I)n1 ZINC000788539517 1077194074 /nfs/dbraw/zinc/19/40/74/1077194074.db2.gz QFCOOBMHGDDNPV-UHFFFAOYSA-N 1 0 419.307 2.889 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000788546924 1077196481 /nfs/dbraw/zinc/19/64/81/1077196481.db2.gz IICCHKNIEXMLGC-UHFFFAOYSA-N 1 0 405.543 2.651 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000788549032 1077197109 /nfs/dbraw/zinc/19/71/09/1077197109.db2.gz UCHWVUCJLNRDHI-UHFFFAOYSA-N 1 0 401.960 2.538 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000788550379 1077197839 /nfs/dbraw/zinc/19/78/39/1077197839.db2.gz YPLRSRJWHMTCKQ-HIFRSBDPSA-N 1 0 403.470 2.525 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCCS(=O)(=O)Cc3ccccc3)C2)C1 ZINC000788558838 1077200842 /nfs/dbraw/zinc/20/08/42/1077200842.db2.gz WEEXKTYWMGVBPU-UHFFFAOYSA-N 1 0 408.564 2.981 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788529228 1077203218 /nfs/dbraw/zinc/20/32/18/1077203218.db2.gz VKQWTWVJURUWIK-AWEZNQCLSA-N 1 0 409.518 2.859 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000788592585 1077216222 /nfs/dbraw/zinc/21/62/22/1077216222.db2.gz LHNBJADQJGSWNS-PKOBYXMFSA-N 1 0 410.603 2.554 20 0 HFADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600901 1077219597 /nfs/dbraw/zinc/21/95/97/1077219597.db2.gz FKUKWFVKBRHOIG-IOMROCGXSA-N 1 0 403.567 2.714 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000788643851 1077222877 /nfs/dbraw/zinc/22/28/77/1077222877.db2.gz BRDIXIPFLQLGDB-PCCBWWKXSA-N 1 0 422.529 2.665 20 0 HFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)CC1 ZINC000788618855 1077230527 /nfs/dbraw/zinc/23/05/27/1077230527.db2.gz BJIFCERMGFIHPG-VQTJNVASSA-N 1 0 420.579 2.527 20 0 HFADRO CC(C)[NH+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C(C)C ZINC000788619877 1077231105 /nfs/dbraw/zinc/23/11/05/1077231105.db2.gz WLWLROBOPGJTBJ-BGYRXZFFSA-N 1 0 412.534 2.813 20 0 HFADRO COc1ccc(CCS(=O)(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000788622557 1077232790 /nfs/dbraw/zinc/23/27/90/1077232790.db2.gz RKPLOSBGVRIJMP-UHFFFAOYSA-N 1 0 418.559 2.832 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2cnc(Cl)c(OC)c2)c1 ZINC000790924229 1077233802 /nfs/dbraw/zinc/23/38/02/1077233802.db2.gz IDQXESAOTMXILS-UHFFFAOYSA-N 1 0 413.927 2.505 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1Cl ZINC000788634990 1077239600 /nfs/dbraw/zinc/23/96/00/1077239600.db2.gz TUYGRZSIJSLYAS-LBPRGKRZSA-N 1 0 406.957 2.603 20 0 HFADRO CC(C)[C@H](CNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000788636634 1077241486 /nfs/dbraw/zinc/24/14/86/1077241486.db2.gz JTOMKBAVXLPMHA-WMZOPIPTSA-N 1 0 410.559 2.529 20 0 HFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@H](O)c1c(F)cccc1Cl ZINC000788637698 1077242238 /nfs/dbraw/zinc/24/22/38/1077242238.db2.gz HQJNQNSEIUHIFM-SGTLLEGYSA-N 1 0 400.903 2.941 20 0 HFADRO COc1ccc(CN2CC[C@@H]([NH2+]C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)C2=O)cc1 ZINC000788641338 1077243449 /nfs/dbraw/zinc/24/34/49/1077243449.db2.gz DCSLUYPQLFZMGJ-LJQANCHMSA-N 1 0 415.534 2.785 20 0 HFADRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000788690661 1077252463 /nfs/dbraw/zinc/25/24/63/1077252463.db2.gz KQQQTZHUNGGWTQ-LJQANCHMSA-N 1 0 411.502 2.955 20 0 HFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC[N@@H+]1C ZINC000788658292 1077255357 /nfs/dbraw/zinc/25/53/57/1077255357.db2.gz MLIQDFJWDJPRCP-HUYLIWGRSA-N 1 0 410.518 2.519 20 0 HFADRO C[NH+](C)Cc1ccnc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)c1 ZINC000788659648 1077256743 /nfs/dbraw/zinc/25/67/43/1077256743.db2.gz FFKOBOMDRCWDOV-KDURUIRLSA-N 1 0 419.485 2.674 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788662386 1077257769 /nfs/dbraw/zinc/25/77/69/1077257769.db2.gz CUKITOQLRIWYAN-NBMRYCAZSA-N 1 0 410.486 2.778 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000790969135 1077258617 /nfs/dbraw/zinc/25/86/17/1077258617.db2.gz VQOILKVCJVEQOO-OAHLLOKOSA-N 1 0 419.526 2.604 20 0 HFADRO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)Cn3cc(Br)ccc3=O)C2=O)cc1 ZINC000788665475 1077259847 /nfs/dbraw/zinc/25/98/47/1077259847.db2.gz ODROMDOKJROPDE-PBHICJAKSA-N 1 0 404.308 2.703 20 0 HFADRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)C2=O)c1 ZINC000788668046 1077260781 /nfs/dbraw/zinc/26/07/81/1077260781.db2.gz WPZKZHZJFPFNII-LIRRHRJNSA-N 1 0 419.522 2.654 20 0 HFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000788671083 1077262139 /nfs/dbraw/zinc/26/21/39/1077262139.db2.gz WCLXREJSQDNVDA-IBGZPJMESA-N 1 0 403.500 2.647 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CCN1C(=O)OC(C)(C)C ZINC000788671702 1077262418 /nfs/dbraw/zinc/26/24/18/1077262418.db2.gz NHSOYQRHDFXHKA-HKUYNNGSSA-N 1 0 414.506 2.903 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672879 1077262804 /nfs/dbraw/zinc/26/28/04/1077262804.db2.gz SSKVQOQUFGPOGC-FHWLQOOXSA-N 1 0 411.587 2.885 20 0 HFADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1COCc2cccc(Cl)c21 ZINC000788711296 1077267686 /nfs/dbraw/zinc/26/76/86/1077267686.db2.gz KZBLRKLTRYODLN-PMACEKPBSA-N 1 0 401.938 2.790 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000790975850 1077268442 /nfs/dbraw/zinc/26/84/42/1077268442.db2.gz VCSADMWXKBJYRX-KRWDZBQOSA-N 1 0 420.941 2.642 20 0 HFADRO CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788712942 1077268514 /nfs/dbraw/zinc/26/85/14/1077268514.db2.gz NUHXQWKQNGUWEB-MOPGFXCFSA-N 1 0 400.548 2.793 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788716346 1077269314 /nfs/dbraw/zinc/26/93/14/1077269314.db2.gz VUUYDIKBUVHAGH-CTNGQTDRSA-N 1 0 400.567 2.941 20 0 HFADRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 ZINC000788695017 1077274461 /nfs/dbraw/zinc/27/44/61/1077274461.db2.gz YQADMCDQBQVULU-QFBILLFUSA-N 1 0 405.539 2.937 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3cnc(N4CCOCC4)c(F)c3)C2)C1 ZINC000788749872 1077275928 /nfs/dbraw/zinc/27/59/28/1077275928.db2.gz JMBHDGAGVGHBLX-UHFFFAOYSA-N 1 0 406.502 2.546 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000788751361 1077276242 /nfs/dbraw/zinc/27/62/42/1077276242.db2.gz VYUACYIGGKAVMY-INIZCTEOSA-N 1 0 409.596 2.721 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001170147620 1077276354 /nfs/dbraw/zinc/27/63/54/1077276354.db2.gz ADGKQLZZUHWRIC-UGSOOPFHSA-N 1 0 422.444 2.582 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]CCc2cncn2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788755386 1077277601 /nfs/dbraw/zinc/27/76/01/1077277601.db2.gz SFBAHBOORXPZIZ-INIZCTEOSA-N 1 0 408.543 2.521 20 0 HFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000791036545 1077278332 /nfs/dbraw/zinc/27/83/32/1077278332.db2.gz OKPUWZCZZWTZHL-SFHVURJKSA-N 1 0 409.571 2.594 20 0 HFADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000788760711 1077279463 /nfs/dbraw/zinc/27/94/63/1077279463.db2.gz CGICTAUWHFLUMR-UONOGXRCSA-N 1 0 414.344 2.846 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058726 1077285514 /nfs/dbraw/zinc/28/55/14/1077285514.db2.gz FIFQIAXBGRETMV-CRAIPNDOSA-N 1 0 419.570 2.984 20 0 HFADRO COc1ccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)nc1I ZINC000791063639 1077286833 /nfs/dbraw/zinc/28/68/33/1077286833.db2.gz XEEWNXVIRHRYQY-CYBMUJFWSA-N 1 0 417.291 2.545 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)([NH+](C)C)C1 ZINC000788748337 1077288961 /nfs/dbraw/zinc/28/89/61/1077288961.db2.gz QQPNIUUXXONQJQ-XQFWAAQXSA-N 1 0 400.567 2.939 20 0 HFADRO CC(C)(NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777638 1077298855 /nfs/dbraw/zinc/29/88/55/1077298855.db2.gz KWJZDYZESQBGSI-HOCLYGCPSA-N 1 0 401.429 2.983 20 0 HFADRO CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788791764 1077305683 /nfs/dbraw/zinc/30/56/83/1077305683.db2.gz QJVWRBDJVOGOQL-NRFANRHFSA-N 1 0 412.509 2.830 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)CCN(C)c2cc[nH+]cc2)cn1 ZINC000791144426 1077306774 /nfs/dbraw/zinc/30/67/74/1077306774.db2.gz WETCXXKMAHFRJC-JOCHJYFZSA-N 1 0 407.518 2.887 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)CCN(C)c2cc[nH+]cc2)cn1 ZINC000791144427 1077306983 /nfs/dbraw/zinc/30/69/83/1077306983.db2.gz WETCXXKMAHFRJC-QFIPXVFZSA-N 1 0 407.518 2.887 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CCN(C(=O)COc4ccccc4)C3)C2)C1 ZINC000788817312 1077307101 /nfs/dbraw/zinc/30/71/01/1077307101.db2.gz JTPWBJIHQFUECR-QGZVFWFLSA-N 1 0 415.534 2.655 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)CCN1C(=O)OC(C)(C)C ZINC000788825345 1077311009 /nfs/dbraw/zinc/31/10/09/1077311009.db2.gz YSCPWUJTULCXKQ-AOIWGVFYSA-N 1 0 404.507 2.911 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nc(Br)sc2C2CC2)C1 ZINC000791198864 1077321085 /nfs/dbraw/zinc/32/10/85/1077321085.db2.gz FHDWSOHRJSIRMB-GFCCVEGCSA-N 1 0 402.358 2.870 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)C1 ZINC000791218727 1077333295 /nfs/dbraw/zinc/33/32/95/1077333295.db2.gz PMLIVMGFCHPRQW-GFCCVEGCSA-N 1 0 422.016 2.988 20 0 HFADRO CC(C)(CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C[NH+]1CCCC1 ZINC000791223554 1077335037 /nfs/dbraw/zinc/33/50/37/1077335037.db2.gz FWEWWKMNVVUFQE-UHFFFAOYSA-N 1 0 413.971 2.732 20 0 HFADRO CC(C)(CNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)C[NH+]1CCCC1 ZINC000791225526 1077335326 /nfs/dbraw/zinc/33/53/26/1077335326.db2.gz QWXFNVPADYEPFC-UHFFFAOYSA-N 1 0 417.369 2.704 20 0 HFADRO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[N@H+](C)Cc1ccccc1 ZINC000746774551 1077342296 /nfs/dbraw/zinc/34/22/96/1077342296.db2.gz QHUFSKGJWCVPOU-DOTOQJQBSA-N 1 0 414.472 2.702 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCc2ccc(C(C)(C)C)cc2)CC1 ZINC000746993380 1077351792 /nfs/dbraw/zinc/35/17/92/1077351792.db2.gz JETNMKRMOBNTCL-UHFFFAOYSA-N 1 0 408.546 2.991 20 0 HFADRO COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000788915949 1077353588 /nfs/dbraw/zinc/35/35/88/1077353588.db2.gz NKZAIMVFDJXDAM-OXJNMPFZSA-N 1 0 404.532 2.892 20 0 HFADRO COC(=O)c1ccc(CS(=O)(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000788915950 1077353598 /nfs/dbraw/zinc/35/35/98/1077353598.db2.gz NKZAIMVFDJXDAM-OXQOHEQNSA-N 1 0 404.532 2.892 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000788961440 1077363920 /nfs/dbraw/zinc/36/39/20/1077363920.db2.gz XJAVACCLNUOFRD-LJQANCHMSA-N 1 0 421.582 2.594 20 0 HFADRO CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000788942787 1077372814 /nfs/dbraw/zinc/37/28/14/1077372814.db2.gz YDBCOOAPVALPGF-FGZHOGPDSA-N 1 0 402.583 2.602 20 0 HFADRO COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000789059498 1077393957 /nfs/dbraw/zinc/39/39/57/1077393957.db2.gz DEWWXKNDBCXNOQ-QGZVFWFLSA-N 1 0 415.509 2.644 20 0 HFADRO Cc1ccc(Oc2ccc(NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)nn1 ZINC000746787438 1077399977 /nfs/dbraw/zinc/39/99/77/1077399977.db2.gz DNRBIJYAHTVSBN-UHFFFAOYSA-N 1 0 411.506 2.895 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)C[C@@H](C)O1 ZINC000746788086 1077417437 /nfs/dbraw/zinc/41/74/37/1077417437.db2.gz LNERELNOKGDMIS-IAGOWNOFSA-N 1 0 416.566 2.618 20 0 HFADRO CC(C)[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H](O)c1ccccc1 ZINC000789146466 1077434088 /nfs/dbraw/zinc/43/40/88/1077434088.db2.gz ZUXZSTIGDYDPJF-LEWJYISDSA-N 1 0 400.523 2.579 20 0 HFADRO CC(C)[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H](O)c1ccccc1 ZINC000789146471 1077434099 /nfs/dbraw/zinc/43/40/99/1077434099.db2.gz ZUXZSTIGDYDPJF-SFTDATJTSA-N 1 0 400.523 2.579 20 0 HFADRO C[C@H](OC(=O)c1n[nH]c2c1CCCCC2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789178464 1077446051 /nfs/dbraw/zinc/44/60/51/1077446051.db2.gz WZHKHZKBBVUGDO-WMZOPIPTSA-N 1 0 410.518 2.615 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCC[N@H+](C)Cc3ccccc3)C2)c1 ZINC000791474736 1077446092 /nfs/dbraw/zinc/44/60/92/1077446092.db2.gz HTIJEHHOEFAMCU-JOCHJYFZSA-N 1 0 411.502 2.835 20 0 HFADRO C[NH+]1CCN(C[C@@H](NC(=S)NCCc2ccc(F)cc2)c2ccccc2)CC1 ZINC000789220414 1077448442 /nfs/dbraw/zinc/44/84/42/1077448442.db2.gz NSEYUULFPQEXCF-OAQYLSRUSA-N 1 0 400.567 2.821 20 0 HFADRO C[NH+]1CCN(C[C@H](NC(=O)c2nc(Br)ccc2F)c2ccccc2)CC1 ZINC000791567537 1077464431 /nfs/dbraw/zinc/46/44/31/1077464431.db2.gz ZROIGFREDXLTCP-INIZCTEOSA-N 1 0 421.314 2.702 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3nc(Cl)cs3)CC2)cc1 ZINC000789211983 1077464751 /nfs/dbraw/zinc/46/47/51/1077464751.db2.gz XRMOGXDPRKGSEM-UHFFFAOYSA-N 1 0 423.922 2.696 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746794088 1077466247 /nfs/dbraw/zinc/46/62/47/1077466247.db2.gz QWNQYZDKKPXIGB-UHFFFAOYSA-N 1 0 419.476 2.805 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)c1 ZINC000791574729 1077467869 /nfs/dbraw/zinc/46/78/69/1077467869.db2.gz LCYXNNYVGRLJRH-IIBYNOLFSA-N 1 0 401.507 2.674 20 0 HFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3ccnn3C3CCCC3)C2)CC1 ZINC000746792630 1077481328 /nfs/dbraw/zinc/48/13/28/1077481328.db2.gz GJWVUWGSFMQMTC-SFHVURJKSA-N 1 0 401.555 2.907 20 0 HFADRO Cc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1Br ZINC000791587495 1077492803 /nfs/dbraw/zinc/49/28/03/1077492803.db2.gz RNFXWYSSAOUMGN-UHFFFAOYSA-N 1 0 409.324 2.966 20 0 HFADRO CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789315480 1077505872 /nfs/dbraw/zinc/50/58/72/1077505872.db2.gz NEGLPMOADUDZPO-UHFFFAOYSA-N 1 0 423.941 2.628 20 0 HFADRO CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)C1 ZINC000789311472 1077509896 /nfs/dbraw/zinc/50/98/96/1077509896.db2.gz KZYMTHODRSUGLN-KRWDZBQOSA-N 1 0 423.941 2.628 20 0 HFADRO O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789311598 1077509921 /nfs/dbraw/zinc/50/99/21/1077509921.db2.gz NLNKMZMQKOGZTL-INIZCTEOSA-N 1 0 420.893 2.994 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000789312221 1077510521 /nfs/dbraw/zinc/51/05/21/1077510521.db2.gz OMMOGJWXCCQLTQ-RTBURBONSA-N 1 0 407.942 2.996 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000791651568 1077512666 /nfs/dbraw/zinc/51/26/66/1077512666.db2.gz PERNPYVQNYWINY-NRFANRHFSA-N 1 0 403.548 2.575 20 0 HFADRO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000789352788 1077513172 /nfs/dbraw/zinc/51/31/72/1077513172.db2.gz KNMPLAZBVNTEIY-UHFFFAOYSA-N 1 0 401.536 2.588 20 0 HFADRO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)O1 ZINC000789352413 1077513249 /nfs/dbraw/zinc/51/32/49/1077513249.db2.gz NGRRTFFZEMMNBP-HCXYKTFWSA-N 1 0 409.571 2.782 20 0 HFADRO CCn1c(CNC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)nc2ccccc21 ZINC000789353792 1077513871 /nfs/dbraw/zinc/51/38/71/1077513871.db2.gz YFBINEKCRRXQRU-SFHVURJKSA-N 1 0 421.501 2.696 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCCCOc3ccccc3F)cccc21 ZINC000789355520 1077515175 /nfs/dbraw/zinc/51/51/75/1077515175.db2.gz DNYWHQKORYHZSD-SFHVURJKSA-N 1 0 415.465 2.735 20 0 HFADRO Cc1cccc(OCCCNC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000789355548 1077515263 /nfs/dbraw/zinc/51/52/63/1077515263.db2.gz DRPIKEVNPQBXLD-HXUWFJFHSA-N 1 0 411.502 2.904 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(CC[NH+](C)C)Cc3cccs3)C2)c1 ZINC000791632695 1077520169 /nfs/dbraw/zinc/52/01/69/1077520169.db2.gz QBOCKABYYPBCKD-HXUWFJFHSA-N 1 0 417.531 2.849 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)C(C)C ZINC000746804830 1077532330 /nfs/dbraw/zinc/53/23/30/1077532330.db2.gz YWCHRTACFMRWHA-UHFFFAOYSA-N 1 0 406.596 2.803 20 0 HFADRO C[C@H]1CC[C@H]([NH2+]C(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)C1 ZINC001170103296 1077532592 /nfs/dbraw/zinc/53/25/92/1077532592.db2.gz FBMCNRIZYIRZIV-BBRMVZONSA-N 1 0 416.497 2.568 20 0 HFADRO COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)OCCC[NH+](C)C)c2)c1 ZINC000791701418 1077532767 /nfs/dbraw/zinc/53/27/67/1077532767.db2.gz FEDDUMSNXZLXLZ-UHFFFAOYSA-N 1 0 402.447 2.770 20 0 HFADRO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000789389522 1077534175 /nfs/dbraw/zinc/53/41/75/1077534175.db2.gz SXXBYGIDKKZIEJ-OALUTQOASA-N 1 0 411.587 2.813 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)Nc2ccc(Cl)cc2)[n+]2cccc(CO)c2)n1 ZINC000789395883 1077536667 /nfs/dbraw/zinc/53/66/67/1077536667.db2.gz YJWDNAPQMGVECH-UHFFFAOYSA-O 1 0 402.887 2.572 20 0 HFADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000789381125 1077548138 /nfs/dbraw/zinc/54/81/38/1077548138.db2.gz CKZGIEAZHCVIBL-DUVNUKRYSA-N 1 0 408.720 2.626 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000746813606 1077555040 /nfs/dbraw/zinc/55/50/40/1077555040.db2.gz YOMNZCYMDVNHPG-MRXNPFEDSA-N 1 0 412.490 2.830 20 0 HFADRO Cc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)nnn1-c1cccc(Cl)c1 ZINC000791761352 1077555645 /nfs/dbraw/zinc/55/56/45/1077555645.db2.gz LZGNLLQHQQAZRE-UHFFFAOYSA-N 1 0 405.930 2.802 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000746806163 1077556202 /nfs/dbraw/zinc/55/62/02/1077556202.db2.gz CMIKQEPMGCZNKO-FQEVSTJZSA-N 1 0 424.501 2.926 20 0 HFADRO COc1ccc(OC)c(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2cccc(C)c2)c1 ZINC000789401682 1077559931 /nfs/dbraw/zinc/55/99/31/1077559931.db2.gz KJPYINPTYXEXEJ-UHFFFAOYSA-O 1 0 412.495 2.752 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)NC(C2CC2)C2CC2)[n+]2ccc3c(c2)CCCC3)n1 ZINC000789403328 1077561796 /nfs/dbraw/zinc/56/17/96/1077561796.db2.gz MQPPIYWZBBKLSH-UHFFFAOYSA-O 1 0 410.567 2.971 20 0 HFADRO Cc1ccc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@H]2CCOc3ccccc32)c1 ZINC000789406303 1077563006 /nfs/dbraw/zinc/56/30/06/1077563006.db2.gz XPRUDANGJPMYAB-INIZCTEOSA-O 1 0 408.507 2.736 20 0 HFADRO COC(=O)c1n[nH]c2ccc(NC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000791821881 1077567710 /nfs/dbraw/zinc/56/77/10/1077567710.db2.gz GAWAZLMRAISHCB-INIZCTEOSA-N 1 0 407.474 2.993 20 0 HFADRO Cc1csc([C@](O)(CC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C(F)(F)F)n1 ZINC000746818482 1077571614 /nfs/dbraw/zinc/57/16/14/1077571614.db2.gz ATZOQVCKUNAGSS-MAUKXSAKSA-N 1 0 415.481 2.881 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000791823241 1077574113 /nfs/dbraw/zinc/57/41/13/1077574113.db2.gz KWPJUGPXPYPQGL-FQEVSTJZSA-N 1 0 422.504 2.942 20 0 HFADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791829041 1077576641 /nfs/dbraw/zinc/57/66/41/1077576641.db2.gz UNDOYMZDJBKOOM-IHFQAILKSA-N 1 0 401.576 2.883 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000746814380 1077577100 /nfs/dbraw/zinc/57/71/00/1077577100.db2.gz QQZGYOSRIRCFLL-OAQYLSRUSA-N 1 0 416.566 2.575 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000791884413 1077585387 /nfs/dbraw/zinc/58/53/87/1077585387.db2.gz AUFZIMDTFBBAIL-UHFFFAOYSA-N 1 0 409.328 2.898 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000791876097 1077595119 /nfs/dbraw/zinc/59/51/19/1077595119.db2.gz QINCMFPSYQTCKM-JOCHJYFZSA-N 1 0 401.551 2.700 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000791941187 1077601474 /nfs/dbraw/zinc/60/14/74/1077601474.db2.gz ZFUKKEFHFXWEIS-LJQANCHMSA-N 1 0 402.457 2.872 20 0 HFADRO C[NH+]1CCC2(CC1)NC(=O)N(CN(Cc1cccs1)C1Cc3ccccc3C1)C2=O ZINC000789513622 1077606371 /nfs/dbraw/zinc/60/63/71/1077606371.db2.gz MKEQAGLIVLJLOF-UHFFFAOYSA-N 1 0 424.570 2.691 20 0 HFADRO COc1cc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc(-n2cccn2)c1 ZINC000791968283 1077613648 /nfs/dbraw/zinc/61/36/48/1077613648.db2.gz DVLXEXQWKVNEAK-UHFFFAOYSA-N 1 0 413.522 2.847 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCn1cnc2sccc2c1=O ZINC000791974842 1077617690 /nfs/dbraw/zinc/61/76/90/1077617690.db2.gz JYVCXGDBJNFFKD-HKUYNNGSSA-N 1 0 408.527 2.991 20 0 HFADRO Cc1csc([C@](O)(CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C(F)(F)F)n1 ZINC000746832334 1077649451 /nfs/dbraw/zinc/64/94/51/1077649451.db2.gz CNYOEDNPWYRIEV-CRAIPNDOSA-N 1 0 415.481 2.881 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000792057238 1077663528 /nfs/dbraw/zinc/66/35/28/1077663528.db2.gz NWBPGYMDFAVQER-IERDGZPVSA-N 1 0 403.523 2.968 20 0 HFADRO C[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000792077587 1077683952 /nfs/dbraw/zinc/68/39/52/1077683952.db2.gz WNGPDBWNZDOLFB-PKOBYXMFSA-N 1 0 404.555 2.763 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)c1 ZINC000792078057 1077690593 /nfs/dbraw/zinc/69/05/93/1077690593.db2.gz ZKGSXXQZBCBNLG-FPOVZHCZSA-N 1 0 415.465 2.755 20 0 HFADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1nc(Br)ccc1F ZINC000792051608 1077694697 /nfs/dbraw/zinc/69/46/97/1077694697.db2.gz DQBRFGRRJHLWLD-UHFFFAOYSA-N 1 0 421.314 2.925 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CCC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000792100384 1077696418 /nfs/dbraw/zinc/69/64/18/1077696418.db2.gz GJPNQMSOVGZEEH-UHFFFAOYSA-N 1 0 422.614 2.700 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103013 1077697755 /nfs/dbraw/zinc/69/77/55/1077697755.db2.gz DQWCARLDSANTQV-AQNXPRMDSA-N 1 0 422.614 2.793 20 0 HFADRO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000792108189 1077700283 /nfs/dbraw/zinc/70/02/83/1077700283.db2.gz SNOUDROJMODJJC-RBBKRZOGSA-N 1 0 406.530 2.922 20 0 HFADRO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000792108173 1077700309 /nfs/dbraw/zinc/70/03/09/1077700309.db2.gz SNOUDROJMODJJC-IFMALSPDSA-N 1 0 406.530 2.922 20 0 HFADRO CC(C)OC(=O)N1CCC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792085415 1077708946 /nfs/dbraw/zinc/70/89/46/1077708946.db2.gz VUPWLNTWTCIMTB-LJQANCHMSA-N 1 0 402.539 2.817 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)C2)c1 ZINC000792086044 1077709825 /nfs/dbraw/zinc/70/98/25/1077709825.db2.gz XONFQUNKWKTAAE-OAQYLSRUSA-N 1 0 403.523 2.776 20 0 HFADRO COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=[NH2+])NOCC(=O)N2CCCCC2)cc1 ZINC000789632980 1077712087 /nfs/dbraw/zinc/71/20/87/1077712087.db2.gz NGOXPOFFJGZLLQ-GOSISDBHSA-N 1 0 420.510 2.772 20 0 HFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C1 ZINC000792145478 1077721990 /nfs/dbraw/zinc/72/19/90/1077721990.db2.gz OCCNNBDQWUBCMF-RBUKOAKNSA-N 1 0 423.529 2.661 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCC3([C@H](O)c4ccccc4)CC3)cccc21 ZINC000789684923 1077725571 /nfs/dbraw/zinc/72/55/71/1077725571.db2.gz KBGPVKAXUDEQSI-TZIWHRDSSA-N 1 0 423.513 2.640 20 0 HFADRO O=C(NC[C@H]1COC2(CCCC2)O1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792159337 1077726261 /nfs/dbraw/zinc/72/62/61/1077726261.db2.gz PJJDVUARTBQHIF-GPANFISMSA-N 1 0 405.461 2.777 20 0 HFADRO CCC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H](O)c1ccccc1 ZINC000792165822 1077732297 /nfs/dbraw/zinc/73/22/97/1077732297.db2.gz UMAUXGUNFNDRBI-XPWALMASSA-N 1 0 411.546 2.955 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000792172422 1077733892 /nfs/dbraw/zinc/73/38/92/1077733892.db2.gz WBXRMJPVWRYHIA-SFHVURJKSA-N 1 0 402.457 2.568 20 0 HFADRO O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789669148 1077734588 /nfs/dbraw/zinc/73/45/88/1077734588.db2.gz STWJOBMZYQBRCK-LEWJYISDSA-N 1 0 411.933 2.704 20 0 HFADRO CS(=O)(=O)c1ccc(COC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000792205004 1077745478 /nfs/dbraw/zinc/74/54/78/1077745478.db2.gz WTMLRZUHYGXERI-UHFFFAOYSA-N 1 0 417.527 2.651 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792225770 1077750468 /nfs/dbraw/zinc/75/04/68/1077750468.db2.gz NQFAMCKDZPUBQS-LJQANCHMSA-N 1 0 402.539 2.771 20 0 HFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000789711619 1077751385 /nfs/dbraw/zinc/75/13/85/1077751385.db2.gz LYYCVBMKILTQDQ-JOCHJYFZSA-N 1 0 406.530 2.866 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000792227118 1077752670 /nfs/dbraw/zinc/75/26/70/1077752670.db2.gz VKCJBDLQBOSNKI-UNMCSNQZSA-N 1 0 401.551 2.878 20 0 HFADRO CCOC(=O)N(C)C1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792228121 1077753313 /nfs/dbraw/zinc/75/33/13/1077753313.db2.gz RVCHYYDPKFBHLU-IBGZPJMESA-N 1 0 402.539 2.771 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000792233613 1077756476 /nfs/dbraw/zinc/75/64/76/1077756476.db2.gz PHXBLWTTXGKPOM-WIYYLYMNSA-N 1 0 413.518 2.559 20 0 HFADRO CCCn1cc(NC(=O)C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)cn1 ZINC000792247004 1077763121 /nfs/dbraw/zinc/76/31/21/1077763121.db2.gz URKMRTDENFMRKH-UHFFFAOYSA-N 1 0 412.538 2.709 20 0 HFADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3nc(Br)cs3)c2)CC1 ZINC000792246386 1077763554 /nfs/dbraw/zinc/76/35/54/1077763554.db2.gz HEJLRNISWHINGW-UHFFFAOYSA-N 1 0 423.336 2.855 20 0 HFADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)OC[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000789769000 1077770064 /nfs/dbraw/zinc/77/00/64/1077770064.db2.gz CVLIXEXAEAIDKC-OPAMFIHVSA-N 1 0 412.465 2.592 20 0 HFADRO CCCCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1(C)C ZINC001170119159 1077770672 /nfs/dbraw/zinc/77/06/72/1077770672.db2.gz VBTNEKMMCCHSKO-QZTJIDSGSA-N 1 0 420.506 2.772 20 0 HFADRO CCCCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1(C)C ZINC001170119161 1077770947 /nfs/dbraw/zinc/77/09/47/1077770947.db2.gz VBTNEKMMCCHSKO-ZWKOTPCHSA-N 1 0 420.506 2.772 20 0 HFADRO C[C@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCOC2=O)cc1 ZINC000792278378 1077772586 /nfs/dbraw/zinc/77/25/86/1077772586.db2.gz YWPBLRNCTLBICO-KRWDZBQOSA-N 1 0 417.531 2.756 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC(CCC[NH+](C)C)CC3)C2)c1 ZINC000792290398 1077777463 /nfs/dbraw/zinc/77/74/63/1077777463.db2.gz MOUZJQIHFPEUKT-NRFANRHFSA-N 1 0 403.523 2.777 20 0 HFADRO CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1OC ZINC001170117958 1077780037 /nfs/dbraw/zinc/78/00/37/1077780037.db2.gz NZTAVWQWZLPMDW-IGNZVWTISA-N 1 0 406.445 2.809 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746851242 1077782312 /nfs/dbraw/zinc/78/23/12/1077782312.db2.gz BFKDOGJLXKYSRY-UHFFFAOYSA-N 1 0 405.539 2.890 20 0 HFADRO C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260964 1077784025 /nfs/dbraw/zinc/78/40/25/1077784025.db2.gz RDRGMCXVRUCMDQ-CEXWTWQISA-N 1 0 404.551 2.744 20 0 HFADRO CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000789754629 1077786711 /nfs/dbraw/zinc/78/67/11/1077786711.db2.gz KFPICTPTRWHYQG-MRXNPFEDSA-N 1 0 403.527 2.735 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000792294112 1077792898 /nfs/dbraw/zinc/79/28/98/1077792898.db2.gz FWDLTQLCAFUZFZ-XMMPIXPASA-N 1 0 410.562 2.650 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2nn(-c3ccc(Cl)cc3)cc2O)CC1 ZINC000792296121 1077794073 /nfs/dbraw/zinc/79/40/73/1077794073.db2.gz YAPZNHAIPGEWLU-UHFFFAOYSA-N 1 0 406.914 2.804 20 0 HFADRO CO[C@@H]1Cc2ccc(NC(=O)C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)cc2C1 ZINC000789774514 1077808254 /nfs/dbraw/zinc/80/82/54/1077808254.db2.gz FXVOKVPAEOPSCX-YLJYHZDGSA-N 1 0 409.486 2.763 20 0 HFADRO Cc1ccc(NC(=O)NCCC2N=NC(=S)N2C2CC2)c(OCC[NH+](C)C)c1 ZINC000789839679 1077816600 /nfs/dbraw/zinc/81/66/00/1077816600.db2.gz XDZQYJCEMYBYRL-UHFFFAOYSA-N 1 0 404.540 2.515 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000789808966 1077820155 /nfs/dbraw/zinc/82/01/55/1077820155.db2.gz NBBXTTKRWQNTSU-INIZCTEOSA-N 1 0 424.501 2.863 20 0 HFADRO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000792331536 1077821757 /nfs/dbraw/zinc/82/17/57/1077821757.db2.gz NCUDIEQUIMAHKQ-IBGZPJMESA-N 1 0 422.614 2.652 20 0 HFADRO C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000792336970 1077824876 /nfs/dbraw/zinc/82/48/76/1077824876.db2.gz YKZPKDIYRVLMSK-RXVVDRJESA-N 1 0 418.582 2.737 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339462 1077825762 /nfs/dbraw/zinc/82/57/62/1077825762.db2.gz ABQATRJWFUXQRW-QZTJIDSGSA-N 1 0 413.905 2.925 20 0 HFADRO C[NH+]1CCC2(CCN2C(=O)c2nc(Br)ccc2Br)CC1 ZINC000792346151 1077828939 /nfs/dbraw/zinc/82/89/39/1077828939.db2.gz AWELRXFLSZKCMN-UHFFFAOYSA-N 1 0 403.118 2.917 20 0 HFADRO CCOC(=O)c1cc2ccc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cn2c1 ZINC001170165778 1077832455 /nfs/dbraw/zinc/83/24/55/1077832455.db2.gz HDAIFADKLSRLHP-UHFFFAOYSA-N 1 0 407.474 2.984 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792399871 1077835311 /nfs/dbraw/zinc/83/53/11/1077835311.db2.gz SODPBFMQVUKGCO-UHFFFAOYSA-N 1 0 413.440 2.693 20 0 HFADRO O=C(Nc1ccnn1C1CCCCC1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792407409 1077840171 /nfs/dbraw/zinc/84/01/71/1077840171.db2.gz XRCQEDCOCLGZRX-BGYRXZFFSA-N 1 0 421.545 2.917 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3nc4cccnc4s3)CC2)cc1 ZINC000792382996 1077846552 /nfs/dbraw/zinc/84/65/52/1077846552.db2.gz BOMMBWMGTPGLBR-UHFFFAOYSA-N 1 0 424.526 2.891 20 0 HFADRO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCNc3cc[nH+]cc3)cc2CC1 ZINC000789901643 1077856100 /nfs/dbraw/zinc/85/61/00/1077856100.db2.gz RKHNUKAMIWXBJU-UHFFFAOYSA-N 1 0 410.518 2.681 20 0 HFADRO C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCC(=O)OC(C)(C)C)C1 ZINC001170122441 1077859229 /nfs/dbraw/zinc/85/92/29/1077859229.db2.gz QVHFZKPDTWENEF-RTBURBONSA-N 1 0 403.560 2.563 20 0 HFADRO CNC(=O)c1cncc(/C=C/C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000746864713 1077862644 /nfs/dbraw/zinc/86/26/44/1077862644.db2.gz HEXGPCXRDUPCFI-DRUWVYPFSA-N 1 0 418.541 2.969 20 0 HFADRO CS(=O)(=O)Nc1ccc(/C=C/C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792495066 1077866292 /nfs/dbraw/zinc/86/62/92/1077866292.db2.gz JMOLIHQNKUHRAS-RGFVMQALSA-N 1 0 413.543 2.710 20 0 HFADRO CC[C@@]1(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000772797370 1077873258 /nfs/dbraw/zinc/87/32/58/1077873258.db2.gz FKTVPJBTYIMSIG-GCJKJVERSA-N 1 0 409.571 2.879 20 0 HFADRO CC[C@H](C)n1ncc(NC(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480339 1077876336 /nfs/dbraw/zinc/87/63/36/1077876336.db2.gz AHWPTSSZKIXAJG-GOEBONIOSA-N 1 0 408.547 2.835 20 0 HFADRO C[NH+](C)CCc1ccccc1NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792480548 1077876351 /nfs/dbraw/zinc/87/63/51/1077876351.db2.gz YGOASTPOQJRQRF-UHFFFAOYSA-N 1 0 404.555 2.672 20 0 HFADRO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2ccc3c[nH+]cn3c2)cc1OC ZINC000792545448 1077898928 /nfs/dbraw/zinc/89/89/28/1077898928.db2.gz CPVRDJRMQWYVKB-SFHVURJKSA-N 1 0 409.442 2.872 20 0 HFADRO CN(Cc1cc(Br)cs1)C(=O)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792553717 1077901233 /nfs/dbraw/zinc/90/12/33/1077901233.db2.gz SHPREHUTLBERBL-UHFFFAOYSA-N 1 0 408.277 2.974 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790034153 1077905540 /nfs/dbraw/zinc/90/55/40/1077905540.db2.gz JPMWYSMJQATUIH-UHFFFAOYSA-N 1 0 414.594 2.574 20 0 HFADRO CC[C@@H]1C[C@H](N(CC(C)C)c2nc3c(cc2C(=O)N(C)C)CC[NH2+]CC3)CCO1 ZINC001170210218 1077908138 /nfs/dbraw/zinc/90/81/38/1077908138.db2.gz WMPCDXUXZJXUJW-RTBURBONSA-N 1 0 402.583 2.892 20 0 HFADRO CC[C@H]1C[C@H]([NH+]2CCC(c3cc4c(ncn4C)c(N4CCOCC4)n3)CC2)CCO1 ZINC001170214065 1077908572 /nfs/dbraw/zinc/90/85/72/1077908572.db2.gz MDXJANGYHZXLHA-MOPGFXCFSA-N 1 0 413.566 2.942 20 0 HFADRO CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001170218799 1077910029 /nfs/dbraw/zinc/91/00/29/1077910029.db2.gz VKLLCOSDTGJXME-FPOVZHCZSA-N 1 0 403.567 2.839 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=O)[NH2+][C@@H]3CC[C@H](C)C3)ccc12 ZINC001170125767 1077913313 /nfs/dbraw/zinc/91/33/13/1077913313.db2.gz PARMGGSKWCFKHD-JOQOYGCGSA-N 1 0 414.506 2.635 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)CCO1 ZINC001170223537 1077916553 /nfs/dbraw/zinc/91/65/53/1077916553.db2.gz SQDHYLPVQGKISA-RBUKOAKNSA-N 1 0 406.596 2.518 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)C[NH2+][C@H]3CC[C@H](C)C3)ccc12 ZINC001170124850 1077918726 /nfs/dbraw/zinc/91/87/26/1077918726.db2.gz IFEODLQHAIIYAB-QOKNQOGYSA-N 1 0 411.502 2.809 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(Cl)c(F)cc2C(=O)Nc2cccnc2)O1 ZINC001170272747 1077925775 /nfs/dbraw/zinc/92/57/75/1077925775.db2.gz LHGFPSHOYYQXKX-SPYBWZPUSA-N 1 0 423.876 2.658 20 0 HFADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000790048570 1077928446 /nfs/dbraw/zinc/92/84/46/1077928446.db2.gz IPMWKRAMCJZKQG-PMACEKPBSA-N 1 0 400.544 2.964 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)n(C)c1 ZINC000746875418 1077933196 /nfs/dbraw/zinc/93/31/96/1077933196.db2.gz UOOKIUZIUIZCKF-UHFFFAOYSA-N 1 0 424.611 2.583 20 0 HFADRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)N1CCc2ccccc21 ZINC000746875250 1077933469 /nfs/dbraw/zinc/93/34/69/1077933469.db2.gz DJJGEYUONFEOLZ-KRWDZBQOSA-N 1 0 406.530 2.774 20 0 HFADRO COc1cc(C(=O)OC(C)(C)C)cc(OC)c1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170281054 1077936837 /nfs/dbraw/zinc/93/68/37/1077936837.db2.gz BQLJRUNZODWKLT-HLIPFELVSA-N 1 0 410.511 2.796 20 0 HFADRO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)N1CCN(c2ccccc2F)CC1 ZINC001170290247 1077938739 /nfs/dbraw/zinc/93/87/39/1077938739.db2.gz IFFFVKLMFSTFOO-UHFFFAOYSA-N 1 0 411.521 2.856 20 0 HFADRO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)C1 ZINC001170290242 1077938779 /nfs/dbraw/zinc/93/87/79/1077938779.db2.gz IBGHQUBMNBGGIV-PKOBYXMFSA-N 1 0 401.551 2.972 20 0 HFADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001170315745 1077941577 /nfs/dbraw/zinc/94/15/77/1077941577.db2.gz QFHZWKOHQCEPGS-MRXNPFEDSA-N 1 0 423.504 2.909 20 0 HFADRO C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1nnnn1C1CC1 ZINC000790114381 1077942189 /nfs/dbraw/zinc/94/21/89/1077942189.db2.gz QAJNQMWSYTXDJV-ZBFHGGJFSA-N 1 0 403.556 2.903 20 0 HFADRO COc1cccc(/C=C(/C(=O)NC2CC[NH+](C3CCCCC3)CC2)n2nnnc2C)c1 ZINC000746875818 1077950176 /nfs/dbraw/zinc/95/01/76/1077950176.db2.gz ZWBUUZDULUKINY-JWGURIENSA-N 1 0 424.549 2.902 20 0 HFADRO C[NH+]1CCN(Cc2cccc(-c3noc(-c4ccn(CC(F)(F)F)n4)n3)c2)CC1 ZINC001212850372 1077952584 /nfs/dbraw/zinc/95/25/84/1077952584.db2.gz NUQSPEQLNLQASJ-UHFFFAOYSA-N 1 0 406.412 2.910 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000772817557 1077956531 /nfs/dbraw/zinc/95/65/31/1077956531.db2.gz XQXJQFXBHLZXTJ-FQEVSTJZSA-N 1 0 411.502 2.733 20 0 HFADRO CCCCn1c2nc(COC(=O)c3ccc4c[nH+]cn4c3)n(CCC)c2c(=O)[nH]c1=O ZINC000790126862 1077959590 /nfs/dbraw/zinc/95/95/90/1077959590.db2.gz MJSCLCLYJJCMAA-UHFFFAOYSA-N 1 0 424.461 2.513 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000790126115 1077959880 /nfs/dbraw/zinc/95/98/80/1077959880.db2.gz DEDKABNQQGRUPH-UHFFFAOYSA-N 1 0 401.942 2.947 20 0 HFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790238663 1077974081 /nfs/dbraw/zinc/97/40/81/1077974081.db2.gz SXKOYVOYEXYZAI-GOSISDBHSA-N 1 0 400.498 2.946 20 0 HFADRO Cn1ccnc1[C@@](O)(CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)C(F)(F)F ZINC000790241238 1077974909 /nfs/dbraw/zinc/97/49/09/1077974909.db2.gz LNQZBSUTCUXLDH-KDOFPFPSSA-N 1 0 412.412 2.584 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1nnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000790249829 1077976815 /nfs/dbraw/zinc/97/68/15/1077976815.db2.gz KYTXOOMSOOWGDO-SWLSCSKDSA-N 1 0 413.448 2.672 20 0 HFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790267100 1077990942 /nfs/dbraw/zinc/99/09/42/1077990942.db2.gz LBSRWOUUKMHWIR-UZLBHIALSA-N 1 0 401.532 2.518 20 0 HFADRO COc1cccc([C@@H](CNC(=O)N(CCO)Cc2cccnc2Cl)[NH+](C)C)c1 ZINC000792789409 1077991586 /nfs/dbraw/zinc/99/15/86/1077991586.db2.gz IRKVQEUOOLZINY-GOSISDBHSA-N 1 0 406.914 2.550 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000790271757 1077992226 /nfs/dbraw/zinc/99/22/26/1077992226.db2.gz ASTWOURJPORYQH-JQHSSLGASA-N 1 0 409.452 2.764 20 0 HFADRO CCC[N@H+]([C@@H]1CCN(C2CCOCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790300363 1077999256 /nfs/dbraw/zinc/99/92/56/1077999256.db2.gz VDDCYUMUAHFTML-LJQANCHMSA-N 1 0 409.571 2.878 20 0 HFADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1nnnn1C1CC1 ZINC000790358044 1078003258 /nfs/dbraw/zinc/00/32/58/1078003258.db2.gz GQKLNMOZCLSYEE-SWLSCSKDSA-N 1 0 423.443 2.662 20 0 HFADRO CCc1ccc([C@@H]2CN(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CCO2)cc1 ZINC000790363671 1078004962 /nfs/dbraw/zinc/00/49/62/1078004962.db2.gz ZACTUKZMDRRZKI-YADHBBJMSA-N 1 0 401.551 2.975 20 0 HFADRO CCOc1cc2c(cc1OCC)CN(CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)CC2 ZINC000790365141 1078005581 /nfs/dbraw/zinc/00/55/81/1078005581.db2.gz DCEWLHDIUDGWGW-QHCPKHFHSA-N 1 0 415.534 2.716 20 0 HFADRO CC(C)Oc1ncccc1C(=O)OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000792831600 1078007440 /nfs/dbraw/zinc/00/74/40/1078007440.db2.gz HXTFMQNHRHEICB-UHFFFAOYSA-N 1 0 411.502 2.938 20 0 HFADRO COc1ncc(C(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000792856137 1078009404 /nfs/dbraw/zinc/00/94/04/1078009404.db2.gz CSVHOUYOWWMNGV-UHFFFAOYSA-N 1 0 417.893 2.813 20 0 HFADRO C[C@]1(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792858900 1078010057 /nfs/dbraw/zinc/01/00/57/1078010057.db2.gz MWFXEXUVVQPOKU-GCJKJVERSA-N 1 0 400.523 2.571 20 0 HFADRO COc1ncc(C(=O)O[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000792862037 1078010520 /nfs/dbraw/zinc/01/05/20/1078010520.db2.gz PSUXQOYYVQKXSO-RHSMWYFYSA-N 1 0 417.893 2.680 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000792866449 1078011445 /nfs/dbraw/zinc/01/14/45/1078011445.db2.gz GEPKSBKQFOGZHT-SJLPKXTDSA-N 1 0 400.585 2.923 20 0 HFADRO O=C1O[C@]2(CN1CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C[NH+]1CCC2CC1 ZINC000790365433 1078015155 /nfs/dbraw/zinc/01/51/55/1078015155.db2.gz DFIDLGPQZCRKML-GUTXKFCHSA-N 1 0 415.378 2.923 20 0 HFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000792879156 1078016136 /nfs/dbraw/zinc/01/61/36/1078016136.db2.gz DHSBUQKBLYSRMB-BARSGRSVSA-N 1 0 416.543 2.937 20 0 HFADRO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792883145 1078016587 /nfs/dbraw/zinc/01/65/87/1078016587.db2.gz GVJZZSGOZROAKF-UHFFFAOYSA-N 1 0 408.474 2.666 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCc3c(F)cc(Br)cc3C1)C[NH+]1CCC2CC1 ZINC000790373336 1078017873 /nfs/dbraw/zinc/01/78/73/1078017873.db2.gz RVFFQXVKJGRFLK-LJQANCHMSA-N 1 0 424.314 2.820 20 0 HFADRO CN(C)S(=O)(=O)c1cccc2c1CCN(C[C@@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000792897925 1078019078 /nfs/dbraw/zinc/01/90/78/1078019078.db2.gz WUDFKUBUMIVODS-GOSISDBHSA-N 1 0 412.914 2.821 20 0 HFADRO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)[NH+]2CCCC2)cc1 ZINC000747090663 1078020621 /nfs/dbraw/zinc/02/06/21/1078020621.db2.gz VWEOOUZVSSDYEJ-HXUWFJFHSA-N 1 0 400.500 2.781 20 0 HFADRO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)c1ccccc1C(=O)NCc1ccco1 ZINC000792923264 1078027082 /nfs/dbraw/zinc/02/70/82/1078027082.db2.gz DLQRUBGNUPZYAF-SFTDATJTSA-N 1 0 411.502 2.816 20 0 HFADRO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747092946 1078027180 /nfs/dbraw/zinc/02/71/80/1078027180.db2.gz GTAABBDFQGUIRX-CEXWTWQISA-N 1 0 411.587 2.935 20 0 HFADRO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747092947 1078027255 /nfs/dbraw/zinc/02/72/55/1078027255.db2.gz GTAABBDFQGUIRX-GUDVDZBRSA-N 1 0 411.587 2.935 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC(c4c[nH]nc4C)CC3)cc2)CC1 ZINC000792929304 1078027707 /nfs/dbraw/zinc/02/77/07/1078027707.db2.gz XYZPFFZJLMXLRM-UHFFFAOYSA-N 1 0 410.566 2.678 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000792979608 1078031322 /nfs/dbraw/zinc/03/13/22/1078031322.db2.gz FOEIRMQAUBABPZ-HNNXBMFYSA-N 1 0 423.355 2.897 20 0 HFADRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2cccc(Br)n2)cc1 ZINC000792948454 1078032563 /nfs/dbraw/zinc/03/25/63/1078032563.db2.gz JVCXSDHQDWFEET-UHFFFAOYSA-N 1 0 419.323 2.941 20 0 HFADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792948990 1078032913 /nfs/dbraw/zinc/03/29/13/1078032913.db2.gz NWHKBZIDMFRMAS-UHFFFAOYSA-N 1 0 419.323 2.941 20 0 HFADRO COC(=O)c1c2cnn(C[N@H+](C)CCCn3ccnc3)c2ccc1Br ZINC000790443061 1078032901 /nfs/dbraw/zinc/03/29/01/1078032901.db2.gz TZJFWUNMVFWQIO-UHFFFAOYSA-N 1 0 406.284 2.762 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[N@H+](C)C[C@@H]3C(C)C)c2ccc1Br ZINC000790444962 1078033975 /nfs/dbraw/zinc/03/39/75/1078033975.db2.gz WZJMVIQQATVVGU-MRXNPFEDSA-N 1 0 409.328 2.815 20 0 HFADRO CC[NH+](CC)[C@H]1CCN(Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790445364 1078034235 /nfs/dbraw/zinc/03/42/35/1078034235.db2.gz ZKIKWLQGASOQJJ-ZDUSSCGKSA-N 1 0 409.328 2.959 20 0 HFADRO COc1ccc(Br)c(C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1 ZINC000792956914 1078035357 /nfs/dbraw/zinc/03/53/57/1078035357.db2.gz ADPBLJJIKCNRAF-CYBMUJFWSA-N 1 0 403.317 2.823 20 0 HFADRO Cc1c(C[N@H+](C)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cnn1C ZINC000790450297 1078035563 /nfs/dbraw/zinc/03/55/63/1078035563.db2.gz GEPAHJSRPKKRKR-PMACEKPBSA-N 1 0 402.539 2.657 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000747094672 1078035599 /nfs/dbraw/zinc/03/55/99/1078035599.db2.gz FCSBVPDTBVZQQO-FXAWDEMLSA-N 1 0 412.490 2.869 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2COC3(CCCCC3)O2)c1 ZINC000790452916 1078036064 /nfs/dbraw/zinc/03/60/64/1078036064.db2.gz RMWLQYPJSMQDMO-FQEVSTJZSA-N 1 0 405.539 2.844 20 0 HFADRO NC(=O)c1ccccc1N1CC[C@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000790470194 1078038403 /nfs/dbraw/zinc/03/84/03/1078038403.db2.gz IWTSOZXWCMSCST-FQEVSTJZSA-N 1 0 422.529 2.755 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CCSC1 ZINC000792981444 1078039596 /nfs/dbraw/zinc/03/95/96/1078039596.db2.gz IFHFPWONCXGYNW-FQEVSTJZSA-N 1 0 412.600 2.680 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792981157 1078039829 /nfs/dbraw/zinc/03/98/29/1078039829.db2.gz QYUDMPFSLDXHGG-CYBMUJFWSA-N 1 0 411.344 2.799 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1 ZINC000792986689 1078041159 /nfs/dbraw/zinc/04/11/59/1078041159.db2.gz BSDNIIQQOUCVJL-WOJBJXKFSA-N 1 0 402.539 2.676 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988080 1078041794 /nfs/dbraw/zinc/04/17/94/1078041794.db2.gz WPEOYJXNSSWJGH-HRAATJIYSA-N 1 0 413.559 2.738 20 0 HFADRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000790486451 1078042538 /nfs/dbraw/zinc/04/25/38/1078042538.db2.gz OVZJZQYSGFIFNS-CABCVRRESA-N 1 0 408.490 2.598 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(c3ccccc3)CC2)[C@H](C)C1 ZINC000806225169 1079507852 /nfs/dbraw/zinc/50/78/52/1079507852.db2.gz GMTGAUKSVXHLDP-KNQAVFIVSA-N 1 0 415.578 2.646 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(c3ccccc3)CC2)[C@@H](C)C1 ZINC000806225170 1079507859 /nfs/dbraw/zinc/50/78/59/1079507859.db2.gz GMTGAUKSVXHLDP-SIKLNZKXSA-N 1 0 415.578 2.646 20 0 HFADRO CN(C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806228691 1079510274 /nfs/dbraw/zinc/51/02/74/1079510274.db2.gz GYCDMXIBOVYMOB-DFNIBXOVSA-N 1 0 422.595 2.993 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CCC2 ZINC000806298761 1079549651 /nfs/dbraw/zinc/54/96/51/1079549651.db2.gz OIJGHWCGGDQQID-SQGPQFPESA-N 1 0 415.582 2.727 20 0 HFADRO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000806307774 1079559292 /nfs/dbraw/zinc/55/92/92/1079559292.db2.gz WBIJFFQQJRDCJB-GOSISDBHSA-N 1 0 420.558 2.700 20 0 HFADRO COc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1I ZINC001130589719 1079569923 /nfs/dbraw/zinc/56/99/23/1079569923.db2.gz PTRPWRYDNNHIGJ-WOPDTQHZSA-N 1 0 402.276 2.853 20 0 HFADRO COc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1I ZINC001130589718 1079570009 /nfs/dbraw/zinc/57/00/09/1079570009.db2.gz PTRPWRYDNNHIGJ-UTUOFQBUSA-N 1 0 402.276 2.853 20 0 HFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806318937 1079590172 /nfs/dbraw/zinc/59/01/72/1079590172.db2.gz ACHYVCTVVPURAR-QGZVFWFLSA-N 1 0 424.423 2.721 20 0 HFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000747323804 1079590831 /nfs/dbraw/zinc/59/08/31/1079590831.db2.gz GFARHIHEQWRYLM-INIZCTEOSA-N 1 0 413.559 2.851 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000806333399 1079605059 /nfs/dbraw/zinc/60/50/59/1079605059.db2.gz IRKWJEFMAYGKRV-GOSISDBHSA-N 1 0 420.558 2.981 20 0 HFADRO Cc1cc(NC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000806334416 1079606872 /nfs/dbraw/zinc/60/68/72/1079606872.db2.gz OADXTWNZMMENND-UHFFFAOYSA-N 1 0 403.914 2.847 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000806342428 1079615728 /nfs/dbraw/zinc/61/57/28/1079615728.db2.gz JVBGLILTIFICRV-OAQYLSRUSA-N 1 0 410.518 2.924 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnc(C4OCCO4)s3)c(C)c2)CC1 ZINC000806352998 1079624460 /nfs/dbraw/zinc/62/44/60/1079624460.db2.gz BLWXIAUKPYXIEF-UHFFFAOYSA-N 1 0 402.520 2.891 20 0 HFADRO C[C@]1(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001130610042 1079629329 /nfs/dbraw/zinc/62/93/29/1079629329.db2.gz PKHWPGOHWQHXDD-QFIPXVFZSA-N 1 0 416.543 2.640 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000806390792 1079641556 /nfs/dbraw/zinc/64/15/56/1079641556.db2.gz OEHQCSBBLKOEDD-FQEVSTJZSA-N 1 0 402.583 2.516 20 0 HFADRO CN(C)c1ccc(C2CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000806390572 1079642165 /nfs/dbraw/zinc/64/21/65/1079642165.db2.gz LVFDSSVUYZVCRG-NRFANRHFSA-N 1 0 416.610 2.941 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806359518 1079647740 /nfs/dbraw/zinc/64/77/40/1079647740.db2.gz BMQLSZHIMNPYDX-OTWHNJEPSA-N 1 0 412.575 2.576 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000806370965 1079657999 /nfs/dbraw/zinc/65/79/99/1079657999.db2.gz NAYSEAVUZDKIND-FQEVSTJZSA-N 1 0 402.539 2.614 20 0 HFADRO Cc1c(C(F)(F)F)nn(C)c1NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000806422818 1079665947 /nfs/dbraw/zinc/66/59/47/1079665947.db2.gz FNPXEZDBYLACEK-UHFFFAOYSA-N 1 0 403.449 2.714 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000806431073 1079677468 /nfs/dbraw/zinc/67/74/68/1079677468.db2.gz KZTJJIXMCACZIP-FQEVSTJZSA-N 1 0 417.554 2.961 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806434396 1079680095 /nfs/dbraw/zinc/68/00/95/1079680095.db2.gz KFNJTQCQADBNBU-VQTJNVASSA-N 1 0 402.539 2.961 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)Cc1ccccc1 ZINC000806393962 1079683305 /nfs/dbraw/zinc/68/33/05/1079683305.db2.gz YINCSABGEVVURK-UXHICEINSA-N 1 0 404.555 2.860 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccon2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000806398910 1079686024 /nfs/dbraw/zinc/68/60/24/1079686024.db2.gz XWOATVOGELGTRT-PBHICJAKSA-N 1 0 424.423 2.509 20 0 HFADRO C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473481 1079704493 /nfs/dbraw/zinc/70/44/93/1079704493.db2.gz RBDLNGAOFFPUKB-KUHUBIRLSA-N 1 0 422.526 2.860 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000806437190 1079705678 /nfs/dbraw/zinc/70/56/78/1079705678.db2.gz KHBQBVMYIDWDGC-KRWDZBQOSA-N 1 0 412.600 2.658 20 0 HFADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cnc(C4OCCO4)s3)cc2)C[C@H](C)O1 ZINC000806442057 1079710867 /nfs/dbraw/zinc/71/08/67/1079710867.db2.gz JFRPIZZTMWKHLM-GJZGRUSLSA-N 1 0 417.531 2.728 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCc1ccc(Cl)nc1 ZINC000806457922 1079730250 /nfs/dbraw/zinc/73/02/50/1079730250.db2.gz CQSOZROZEWIXET-UHFFFAOYSA-N 1 0 401.942 2.694 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000806462656 1079735213 /nfs/dbraw/zinc/73/52/13/1079735213.db2.gz ICBJKMAFRFATKU-FQEVSTJZSA-N 1 0 417.554 2.698 20 0 HFADRO Cc1cc(COc2ccc(C(=O)N(C)CC3C[NH+](C)C3)cc2Br)on1 ZINC001130651083 1079750030 /nfs/dbraw/zinc/75/00/30/1079750030.db2.gz HREHBOBABYUQKK-UHFFFAOYSA-N 1 0 408.296 2.958 20 0 HFADRO O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000806508492 1079757725 /nfs/dbraw/zinc/75/77/25/1079757725.db2.gz MNEHCLQUHRFKMQ-SFHVURJKSA-N 1 0 409.452 2.589 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000806477874 1079763700 /nfs/dbraw/zinc/76/37/00/1079763700.db2.gz NUCUFTSTFOEOLX-QGZVFWFLSA-N 1 0 406.531 2.625 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000806540645 1079779197 /nfs/dbraw/zinc/77/91/97/1079779197.db2.gz FPWRNRULOPRVSD-UYAOXDASSA-N 1 0 424.586 2.530 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)C1 ZINC000806512959 1079788868 /nfs/dbraw/zinc/78/88/68/1079788868.db2.gz YKIMGFHTKQCDQN-QYZOEREBSA-N 1 0 424.586 2.576 20 0 HFADRO COC(=O)[C@]1(NC(=O)CCCn2nc(C)cc2C)CCC[N@H+](Cc2ccccc2)C1 ZINC001130661510 1079808494 /nfs/dbraw/zinc/80/84/94/1079808494.db2.gz ZWQZPPUCNWOUBE-QHCPKHFHSA-N 1 0 412.534 2.604 20 0 HFADRO O=C(NCCc1ccc(Cl)nc1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000806600172 1079843165 /nfs/dbraw/zinc/84/31/65/1079843165.db2.gz HICYQQAAQGTPNE-UHFFFAOYSA-N 1 0 406.958 2.556 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CC1=O ZINC001130706819 1079877569 /nfs/dbraw/zinc/87/75/69/1079877569.db2.gz DCFVOHQOABNFHZ-UHFFFAOYSA-N 1 0 401.894 2.978 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000806639445 1079895950 /nfs/dbraw/zinc/89/59/50/1079895950.db2.gz OBHPLLAVLYTYES-IRXDYDNUSA-N 1 0 408.568 2.880 20 0 HFADRO COC(=O)N1CCC[C@H](NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000806682144 1079910682 /nfs/dbraw/zinc/91/06/82/1079910682.db2.gz CAZUIUPKSFMKIM-PKOBYXMFSA-N 1 0 406.527 2.607 20 0 HFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000806699564 1079921531 /nfs/dbraw/zinc/92/15/31/1079921531.db2.gz XNNNZKZYZYDBNB-HXUWFJFHSA-N 1 0 423.598 2.539 20 0 HFADRO C[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806722471 1079946097 /nfs/dbraw/zinc/94/60/97/1079946097.db2.gz YUABEWXTSXALTG-QRVBRYPASA-N 1 0 422.614 2.506 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000806727139 1079950654 /nfs/dbraw/zinc/95/06/54/1079950654.db2.gz AZDXVZICBDPDGS-VWLOTQADSA-N 1 0 423.557 2.559 20 0 HFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000806728706 1079951318 /nfs/dbraw/zinc/95/13/18/1079951318.db2.gz DDOCWHCRRVIYBX-UHFFFAOYSA-N 1 0 417.594 2.891 20 0 HFADRO COC(=O)c1cc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ccc1C ZINC001130733344 1079972109 /nfs/dbraw/zinc/97/21/09/1079972109.db2.gz OTVJRJZMOSQVPI-FCHUYYIVSA-N 1 0 408.498 2.897 20 0 HFADRO O=C(CC[C@](F)(Cl)C(F)(F)Br)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071062 1079979433 /nfs/dbraw/zinc/97/94/33/1079979433.db2.gz SVHMBDOXOOWAAM-GFCCVEGCSA-N 1 0 407.658 2.640 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000806761260 1079980002 /nfs/dbraw/zinc/98/00/02/1079980002.db2.gz XUARKTHGLCASIR-MJGOQNOKSA-N 1 0 420.554 2.997 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3ccnc(OC(F)F)c3)cc2)CC1 ZINC001130741691 1080004833 /nfs/dbraw/zinc/00/48/33/1080004833.db2.gz BVRFHUKIQCMXMW-UHFFFAOYSA-N 1 0 420.460 2.952 20 0 HFADRO C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001130742253 1080006251 /nfs/dbraw/zinc/00/62/51/1080006251.db2.gz PCUNWGUPKDQNHH-UGKGYDQZSA-N 1 0 419.566 2.616 20 0 HFADRO O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806804260 1080021129 /nfs/dbraw/zinc/02/11/29/1080021129.db2.gz JBSMOMVFZWSZDS-QGZVFWFLSA-N 1 0 419.501 2.510 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000806812425 1080025256 /nfs/dbraw/zinc/02/52/56/1080025256.db2.gz JOKPQXFBHMZZRE-IEBWSBKVSA-N 1 0 420.554 2.997 20 0 HFADRO CN(Cc1nc(-c2cccs2)no1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806815069 1080027904 /nfs/dbraw/zinc/02/79/04/1080027904.db2.gz ZLYZJDIMMVMCMG-HNNXBMFYSA-N 1 0 405.524 2.583 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000747359811 1080030953 /nfs/dbraw/zinc/03/09/53/1080030953.db2.gz KVYRHOFNMPCODR-IBGZPJMESA-N 1 0 411.550 2.723 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000806886479 1080083582 /nfs/dbraw/zinc/08/35/82/1080083582.db2.gz QCTYVGQPNSWDEH-LJQANCHMSA-N 1 0 409.530 2.533 20 0 HFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806888653 1080085023 /nfs/dbraw/zinc/08/50/23/1080085023.db2.gz KLFZOOGHEJKRTF-MELADBBJSA-N 1 0 407.902 2.548 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000806917380 1080087252 /nfs/dbraw/zinc/08/72/52/1080087252.db2.gz RMOBYBUDFQQNEV-YZGWKJHDSA-N 1 0 402.539 2.817 20 0 HFADRO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)CC1(C)OCCO1 ZINC000806905251 1080111538 /nfs/dbraw/zinc/11/15/38/1080111538.db2.gz HHXGZVZVNDKIGD-KRWDZBQOSA-N 1 0 400.523 2.631 20 0 HFADRO Cc1c2cc(Br)ccc2oc1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001130807404 1080176111 /nfs/dbraw/zinc/17/61/11/1080176111.db2.gz VBHRTNFSGHRTGK-UHFFFAOYSA-N 1 0 410.312 2.596 20 0 HFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807006876 1080184260 /nfs/dbraw/zinc/18/42/60/1080184260.db2.gz WWPSGCHQNNAPOT-SFHVURJKSA-N 1 0 409.530 2.976 20 0 HFADRO C[C@@H]1[C@@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000807038474 1080228839 /nfs/dbraw/zinc/22/88/39/1080228839.db2.gz HRKKUAQUVHTDHP-APWZRJJASA-N 1 0 402.539 2.816 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)N3CCN(c4cc[nH+]cc4OC)CC3)ccc2c1 ZINC000807069522 1080251855 /nfs/dbraw/zinc/25/18/55/1080251855.db2.gz JHWGGRWHBYFXIM-UHFFFAOYSA-N 1 0 420.469 2.539 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C[C@@H]1C ZINC000807088515 1080266628 /nfs/dbraw/zinc/26/66/28/1080266628.db2.gz BXIFPHPFZJEXQV-YYWHXJBOSA-N 1 0 401.551 2.602 20 0 HFADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807088331 1080266682 /nfs/dbraw/zinc/26/66/82/1080266682.db2.gz OKFBSLCTIIOYSQ-QFIPXVFZSA-N 1 0 415.578 2.849 20 0 HFADRO CC(C)(CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)C[NH+]1CCCC1 ZINC000807090780 1080269852 /nfs/dbraw/zinc/26/98/52/1080269852.db2.gz ZEUOFWREHJOLAT-HXUWFJFHSA-N 1 0 401.551 2.509 20 0 HFADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)no1 ZINC001130843674 1080277633 /nfs/dbraw/zinc/27/76/33/1080277633.db2.gz MOFGMVPXGYBURM-DOTOQJQBSA-N 1 0 416.547 2.953 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NC[C@H]2CCc3ccccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000807116918 1080292386 /nfs/dbraw/zinc/29/23/86/1080292386.db2.gz RALNIWRUOJIVOI-HFZDXXHNSA-N 1 0 419.569 2.936 20 0 HFADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000807139616 1080299535 /nfs/dbraw/zinc/29/95/35/1080299535.db2.gz UMNGQOAVFSFKMU-QGZVKYPTSA-N 1 0 402.539 2.816 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000807150694 1080308967 /nfs/dbraw/zinc/30/89/67/1080308967.db2.gz VOXHSINUBDHGQW-HNNXBMFYSA-N 1 0 418.460 2.888 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c1-c1ccccc1 ZINC000807199817 1080348466 /nfs/dbraw/zinc/34/84/66/1080348466.db2.gz ORDYHZNSJGEAEZ-DEOSSOPVSA-N 1 0 422.504 2.985 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807203310 1080351665 /nfs/dbraw/zinc/35/16/65/1080351665.db2.gz LVWIFYDQTXTNKD-UGKGYDQZSA-N 1 0 402.539 2.819 20 0 HFADRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CC[N@@H+]2C2CC2)c1 ZINC000807205101 1080351725 /nfs/dbraw/zinc/35/17/25/1080351725.db2.gz AEYRYHVXQRWHSD-FUHWJXTLSA-N 1 0 414.893 2.550 20 0 HFADRO CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000807181669 1080375288 /nfs/dbraw/zinc/37/52/88/1080375288.db2.gz SFUAVZJVYPROMY-MOPGFXCFSA-N 1 0 412.575 2.530 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807187514 1080380378 /nfs/dbraw/zinc/38/03/78/1080380378.db2.gz DRDKNFBIQKXVAS-WOJBJXKFSA-N 1 0 402.539 2.771 20 0 HFADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000747377521 1080402009 /nfs/dbraw/zinc/40/20/09/1080402009.db2.gz YQVVXWLSYIQXLB-NCYKPQTJSA-N 1 0 417.550 2.648 20 0 HFADRO O=C(c1ccccc1CSC1=NCCS1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000747382686 1080421901 /nfs/dbraw/zinc/42/19/01/1080421901.db2.gz BFYCFSJSMLRCDT-MSOLQXFVSA-N 1 0 405.589 2.694 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000747389694 1080472619 /nfs/dbraw/zinc/47/26/19/1080472619.db2.gz MQNAFIAGEHBNTG-UHFFFAOYSA-N 1 0 411.506 2.692 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)OC)cc1)c1ccco1 ZINC000807313078 1080506107 /nfs/dbraw/zinc/50/61/07/1080506107.db2.gz WGGVWDQVNDSYND-WMLDXEAASA-N 1 0 416.478 2.666 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807354200 1080514841 /nfs/dbraw/zinc/51/48/41/1080514841.db2.gz GYLPBCCMXVRQSD-PXNSSMCTSA-N 1 0 408.502 2.684 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807354180 1080514857 /nfs/dbraw/zinc/51/48/57/1080514857.db2.gz GUSGWBDAMSWPBX-JQWIXIFHSA-N 1 0 415.719 2.521 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807334481 1080535187 /nfs/dbraw/zinc/53/51/87/1080535187.db2.gz OYAGNLDTWVSFPT-UHFFFAOYSA-N 1 0 408.493 2.838 20 0 HFADRO CCOC(=O)C1=C(Nc2cc3c(cn2)C(=O)NCC3)CC[N@H+](Cc2ccccc2)C1 ZINC001170522769 1080560038 /nfs/dbraw/zinc/56/00/38/1080560038.db2.gz SXFBKLMCMQHAFD-UHFFFAOYSA-N 1 0 406.486 2.503 20 0 HFADRO C[C@@H](O)c1cc(NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)ccc1F ZINC000807396511 1080563159 /nfs/dbraw/zinc/56/31/59/1080563159.db2.gz IOBMTZBZLOODFX-OAHLLOKOSA-N 1 0 414.481 2.598 20 0 HFADRO C[N@@H+]1CCCN(CCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747394226 1080582518 /nfs/dbraw/zinc/58/25/18/1080582518.db2.gz ZYLRMPMYBXOQQB-UHFFFAOYSA-N 1 0 406.621 2.780 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000807401264 1080596191 /nfs/dbraw/zinc/59/61/91/1080596191.db2.gz LNEZVRHXTIGCIJ-NYSBEXSLSA-N 1 0 401.507 2.728 20 0 HFADRO C[C@H](NC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807402799 1080597633 /nfs/dbraw/zinc/59/76/33/1080597633.db2.gz MOUHACLQHWSXOV-UHOSZYNNSA-N 1 0 420.554 2.613 20 0 HFADRO C[C@@H](NC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000807405077 1080598950 /nfs/dbraw/zinc/59/89/50/1080598950.db2.gz JKDXVOSHLRJHHS-RHSMWYFYSA-N 1 0 414.472 2.778 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807453403 1080632276 /nfs/dbraw/zinc/63/22/76/1080632276.db2.gz NGIDQABSVGTFDU-DYESRHJHSA-N 1 0 408.502 2.684 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807453404 1080632291 /nfs/dbraw/zinc/63/22/91/1080632291.db2.gz NGIDQABSVGTFDU-LAUBAEHRSA-N 1 0 408.502 2.684 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000807458173 1080635408 /nfs/dbraw/zinc/63/54/08/1080635408.db2.gz UTXHAOBHSJBENU-HXUWFJFHSA-N 1 0 401.555 2.570 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000807461349 1080638921 /nfs/dbraw/zinc/63/89/21/1080638921.db2.gz ZARUNCOCSLVRCN-NWDGAFQWSA-N 1 0 404.363 2.977 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000807441117 1080661667 /nfs/dbraw/zinc/66/16/67/1080661667.db2.gz AGJJHTUNYIOYPT-GDZNZVCISA-N 1 0 405.417 2.846 20 0 HFADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000807484548 1080667507 /nfs/dbraw/zinc/66/75/07/1080667507.db2.gz GYLNWQDYAMTLNV-KRWDZBQOSA-N 1 0 400.910 2.864 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c(Br)n1 ZINC000807487029 1080669353 /nfs/dbraw/zinc/66/93/53/1080669353.db2.gz ONBMSMAFTOGAOJ-OAHLLOKOSA-N 1 0 423.286 2.649 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccnn1C1CCCCC1)c1ccc(F)cc1 ZINC000807486691 1080669470 /nfs/dbraw/zinc/66/94/70/1080669470.db2.gz KLTWNKZQNSFCGT-GOSISDBHSA-N 1 0 401.486 2.885 20 0 HFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cnc1Br ZINC000807486831 1080672104 /nfs/dbraw/zinc/67/21/04/1080672104.db2.gz XNXPAGRVCIJHAB-HNNXBMFYSA-N 1 0 423.286 2.649 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000807496177 1080689307 /nfs/dbraw/zinc/68/93/07/1080689307.db2.gz JADMDELLSGGBCR-REHUZNOOSA-N 1 0 415.578 2.513 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)[NH+](C)C)cc1 ZINC000807509551 1080715912 /nfs/dbraw/zinc/71/59/12/1080715912.db2.gz LESWHYSFERGBHT-KRWDZBQOSA-N 1 0 404.898 2.880 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCn2cc(Br)cn2)C1 ZINC000807530145 1080742180 /nfs/dbraw/zinc/74/21/80/1080742180.db2.gz VCYRDMOVZBEPNC-QGZVFWFLSA-N 1 0 406.328 2.562 20 0 HFADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543698 1080760361 /nfs/dbraw/zinc/76/03/61/1080760361.db2.gz RGHQNAZGGRWRSO-UZLBHIALSA-N 1 0 424.501 2.973 20 0 HFADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccnc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000807544735 1080761551 /nfs/dbraw/zinc/76/15/51/1080761551.db2.gz ZSNXODSCCHEPAL-DZGCQCFKSA-N 1 0 417.307 2.562 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)N[C@@H](C2CC2)C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000807546185 1080762328 /nfs/dbraw/zinc/76/23/28/1080762328.db2.gz IUBQYHBSYUYEFS-KRWDZBQOSA-N 1 0 412.456 2.613 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550247 1080766049 /nfs/dbraw/zinc/76/60/49/1080766049.db2.gz DZFLDZWBRNIKJP-JOCHJYFZSA-N 1 0 424.586 2.672 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000807526303 1080778182 /nfs/dbraw/zinc/77/81/82/1080778182.db2.gz BDBMVQBXGHYAKA-SFHVURJKSA-N 1 0 402.539 2.771 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000747404899 1080786924 /nfs/dbraw/zinc/78/69/24/1080786924.db2.gz JANKKHFUVRVAOO-MAUKXSAKSA-N 1 0 417.579 2.821 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000747406070 1080792624 /nfs/dbraw/zinc/79/26/24/1080792624.db2.gz WFDKAPWNYQQGNQ-YJBOKZPZSA-N 1 0 417.579 2.821 20 0 HFADRO COC[C@@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807553218 1080802616 /nfs/dbraw/zinc/80/26/16/1080802616.db2.gz GYQCFGSPDCACHC-AVRDEDQJSA-N 1 0 424.586 2.672 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000807555614 1080806992 /nfs/dbraw/zinc/80/69/92/1080806992.db2.gz GKVZBFBUFZLRAZ-IBGZPJMESA-N 1 0 414.937 2.783 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000807558326 1080809068 /nfs/dbraw/zinc/80/90/68/1080809068.db2.gz AJPYQGUTQHKFMM-LJQANCHMSA-N 1 0 416.953 2.932 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807558047 1080809783 /nfs/dbraw/zinc/80/97/83/1080809783.db2.gz QXXXZAFXENZZBJ-QGZVFWFLSA-N 1 0 414.937 2.783 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000807558720 1080813107 /nfs/dbraw/zinc/81/31/07/1080813107.db2.gz GBXNYOPIJLITSJ-MRXNPFEDSA-N 1 0 402.926 2.686 20 0 HFADRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000807560751 1080817422 /nfs/dbraw/zinc/81/74/22/1080817422.db2.gz HCPOJMFGSVFNLO-MRXNPFEDSA-N 1 0 413.566 2.844 20 0 HFADRO CNC(=O)c1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC001171949770 1126148957 /nfs/dbraw/zinc/14/89/57/1126148957.db2.gz ZDQUQNFPBGQWFR-HXUWFJFHSA-N 1 0 403.320 2.818 20 0 HFADRO O=c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nc2sccn21 ZINC001473641452 1126198434 /nfs/dbraw/zinc/19/84/34/1126198434.db2.gz NZDFHFCTZBCEBN-GOSISDBHSA-N 1 0 420.332 2.528 20 0 HFADRO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)c1C ZINC001560580284 1126213354 /nfs/dbraw/zinc/21/33/54/1126213354.db2.gz PWTPTIDMZRRDIM-JOCHJYFZSA-N 1 0 404.507 2.909 20 0 HFADRO COC1(c2nc(C3CCOCC3)no2)CC[NH+](C[C@H](O)c2ccccc2C)CC1 ZINC000583615874 560776300 /nfs/dbraw/zinc/77/63/00/560776300.db2.gz IGMWXGIUQQOUQW-IBGZPJMESA-N 1 0 401.507 2.943 20 0 HFADRO C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164389892 718824663 /nfs/dbraw/zinc/82/46/63/718824663.db2.gz KLDHHYWVXKKRIB-IRXDYDNUSA-N 1 0 413.591 2.733 20 0 HFADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c(Cl)nn1 ZINC001164391892 718826115 /nfs/dbraw/zinc/82/61/15/718826115.db2.gz XRPBZEZDPRCGKR-YOEHRIQHSA-N 1 0 410.852 2.918 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164400303 718842064 /nfs/dbraw/zinc/84/20/64/718842064.db2.gz WBFCZNZJBZLHSS-KRWDZBQOSA-N 1 0 408.575 2.514 20 0 HFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCOCC45C[NH2+]C5)c32)C1 ZINC001164402185 718860823 /nfs/dbraw/zinc/86/08/23/718860823.db2.gz JCWFJINLLCIRQK-OAHLLOKOSA-N 1 0 413.591 2.591 20 0 HFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164418537 718891894 /nfs/dbraw/zinc/89/18/94/718891894.db2.gz OUOQBAKEFCBZCK-HNNXBMFYSA-N 1 0 415.916 2.870 20 0 HFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423262 718941008 /nfs/dbraw/zinc/94/10/08/718941008.db2.gz FWTVVYJWUDSYRO-CVEARBPZSA-N 1 0 421.879 2.587 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164433513 718971801 /nfs/dbraw/zinc/97/18/01/718971801.db2.gz LZWZXPSFBOYXCN-DLBZAZTESA-N 1 0 405.848 2.987 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164617585 719008987 /nfs/dbraw/zinc/00/89/87/719008987.db2.gz OSKFOPBBXYWACC-KDOFPFPSSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)CC1 ZINC001164617870 719029210 /nfs/dbraw/zinc/02/92/10/719029210.db2.gz QMPRQJOCHSTGMQ-UHFFFAOYSA-N 1 0 414.550 2.562 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nccnc3Cl)CC2)CC1 ZINC001164616327 719031060 /nfs/dbraw/zinc/03/10/60/719031060.db2.gz AOVORRKBTDUDCN-UHFFFAOYSA-N 1 0 402.873 2.919 20 0 HFADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC(C4C[NH2+]C4)CC3)c2c1C ZINC001164614322 719037155 /nfs/dbraw/zinc/03/71/55/719037155.db2.gz AOAALOAGQWZOHP-UHFFFAOYSA-N 1 0 401.580 2.576 20 0 HFADRO COC(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1C(=O)OC ZINC001164629565 719060162 /nfs/dbraw/zinc/06/01/62/719060162.db2.gz XWGUKOUMTZXRDB-PKOBYXMFSA-N 1 0 409.486 2.756 20 0 HFADRO CN1c2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2N2CCC[C@H]2C1=O ZINC001164629495 719079594 /nfs/dbraw/zinc/07/95/94/719079594.db2.gz XUAFIUHDNIHGSG-SVFBPWRDSA-N 1 0 418.545 2.523 20 0 HFADRO COC(=O)c1cc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2n1C ZINC001164629192 719095711 /nfs/dbraw/zinc/09/57/11/719095711.db2.gz RAPJFXFAAHKBQX-FXAWDEMLSA-N 1 0 405.502 2.856 20 0 HFADRO C[C@@H]1CN(c2cc3c(ncnc3Cl)n2S(=O)(=O)c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC001164634854 719227954 /nfs/dbraw/zinc/22/79/54/719227954.db2.gz HTXKZJIPKJRZJC-KGLIPLIRSA-N 1 0 419.938 2.851 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164634526 719237287 /nfs/dbraw/zinc/23/72/87/719237287.db2.gz MTIRJYKSJAWCHJ-LSDHHAIUSA-N 1 0 401.580 2.541 20 0 HFADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4C[C@@H](c5nc(C6CC6)cs5)O[C@@H]4C3)nn2)CC1 ZINC001164646178 719287659 /nfs/dbraw/zinc/28/76/59/719287659.db2.gz NJJMDURBNIUWIF-RYQLBKOJSA-N 1 0 412.563 2.529 20 0 HFADRO CC(C)C[NH+]1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC1 ZINC001164657678 719337525 /nfs/dbraw/zinc/33/75/25/719337525.db2.gz YFBJETBVPYVUKT-UHFFFAOYSA-N 1 0 415.607 2.790 20 0 HFADRO Cn1ncc2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@@H]2COc1cccnc1 ZINC001164687245 719599549 /nfs/dbraw/zinc/59/95/49/719599549.db2.gz RUADJTNQOPVRJD-LJQANCHMSA-N 1 0 404.518 2.989 20 0 HFADRO NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694581 719889057 /nfs/dbraw/zinc/88/90/57/719889057.db2.gz AFDLETSUMSRPCR-UHFFFAOYSA-N 1 0 424.929 2.906 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(SCC(=O)OC)n1)C2 ZINC001164816056 720151872 /nfs/dbraw/zinc/15/18/72/720151872.db2.gz KBHKOYROFDOTJZ-LAUBAEHRSA-N 1 0 405.564 2.531 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164819731 720154640 /nfs/dbraw/zinc/15/46/40/720154640.db2.gz XXDQHMCEZXGRSG-RDTXWAMCSA-N 1 0 416.900 2.868 20 0 HFADRO Cn1nnc2c1CCN(c1cc(Cl)nc3c1CCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717795 720174008 /nfs/dbraw/zinc/17/40/08/720174008.db2.gz MMZTZDRRWIPBAH-IBGZPJMESA-N 1 0 416.957 2.568 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](F)Oc1ccnc(Cl)c1)CCC2 ZINC001164812853 720217714 /nfs/dbraw/zinc/21/77/14/720217714.db2.gz JPNOVZGBLRFSFZ-LJQANCHMSA-N 1 0 409.893 2.670 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3ncsc31)CCC2 ZINC001164812843 720223906 /nfs/dbraw/zinc/22/39/06/720223906.db2.gz JPLZURLDFDFKHN-UHFFFAOYSA-N 1 0 419.942 2.547 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(-c3ccccc3)cn1)CCC2 ZINC001164814495 720235824 /nfs/dbraw/zinc/23/58/24/720235824.db2.gz VOTNGRBRLXRMLS-UHFFFAOYSA-N 1 0 404.518 2.951 20 0 HFADRO Cc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)o1 ZINC001164812250 720240646 /nfs/dbraw/zinc/24/06/46/720240646.db2.gz DSMOIEIQTZYRRO-UHFFFAOYSA-N 1 0 408.506 2.852 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3cc[nH]c32)CC1 ZINC001164819817 720286111 /nfs/dbraw/zinc/28/61/11/720286111.db2.gz SHSDRCUYSKBMAF-HZPDHXFCSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3[nH]ccc32)CC1 ZINC001164817298 720287306 /nfs/dbraw/zinc/28/73/06/720287306.db2.gz CFDFRZAJJHSIPD-JKSUJKDBSA-N 1 0 402.930 2.523 20 0 HFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821614 720309215 /nfs/dbraw/zinc/30/92/15/720309215.db2.gz LJWMVDSONHEMGI-IAGOWNOFSA-N 1 0 416.957 2.533 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2SCC3)CC1 ZINC001164828227 720310986 /nfs/dbraw/zinc/31/09/86/720310986.db2.gz ZEWRMEMRPZJFIO-HOTGVXAUSA-N 1 0 421.998 2.690 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)c3c2CCCC3)CC1 ZINC001164821672 720314283 /nfs/dbraw/zinc/31/42/83/720314283.db2.gz LXCNROJBYZGNDG-RTBURBONSA-N 1 0 417.985 2.920 20 0 HFADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccccn2)n1 ZINC001164825716 720336820 /nfs/dbraw/zinc/33/68/20/720336820.db2.gz JMBYVFATFOHXEX-RTWAWAEBSA-N 1 0 420.561 2.759 20 0 HFADRO COc1cccc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c21 ZINC001164828650 720340611 /nfs/dbraw/zinc/34/06/11/720340611.db2.gz PAAFZHVHRNQTHP-MOPGFXCFSA-N 1 0 409.534 2.550 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164827799 720346586 /nfs/dbraw/zinc/34/65/86/720346586.db2.gz MRYSAVGBCHYMRN-MSOLQXFVSA-N 1 0 403.596 2.889 20 0 HFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc-2n1 ZINC001164731048 720378605 /nfs/dbraw/zinc/37/86/05/720378605.db2.gz YKQPFASDHFQXOC-OALUTQOASA-N 1 0 407.474 2.606 20 0 HFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725812 720418647 /nfs/dbraw/zinc/41/86/47/720418647.db2.gz BAKIIIFFDWWEPG-TZFVZSICSA-N 1 0 403.486 2.997 20 0 HFADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)C1=O ZINC001164726384 720426867 /nfs/dbraw/zinc/42/68/67/720426867.db2.gz BVMFOASFKHLGRK-IRXDYDNUSA-N 1 0 412.925 2.742 20 0 HFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164730255 720427933 /nfs/dbraw/zinc/42/79/33/720427933.db2.gz IXZSLOMQHJWTHF-HUUCEWRRSA-N 1 0 412.881 2.646 20 0 HFADRO O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164731134 720502570 /nfs/dbraw/zinc/50/25/70/720502570.db2.gz VYYSXWBCVJFHAN-REWPJTCUSA-N 1 0 407.518 2.697 20 0 HFADRO CCOc1cc2ncnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2cc1OCC ZINC001164728092 720515417 /nfs/dbraw/zinc/51/54/17/720515417.db2.gz IDZAFSBJWYDEHK-INIZCTEOSA-N 1 0 410.522 2.822 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)C1 ZINC001164730014 720517814 /nfs/dbraw/zinc/51/78/14/720517814.db2.gz PRWRGURETHATPF-AWEZNQCLSA-N 1 0 404.946 2.658 20 0 HFADRO COc1ccc(CN(C)c2ccnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)cc1 ZINC001164733680 720531648 /nfs/dbraw/zinc/53/16/48/720531648.db2.gz FDZRXIOEMDNQLP-LJQANCHMSA-N 1 0 421.549 2.516 20 0 HFADRO COc1ccc(CN(C)c2ccnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)n2)cc1 ZINC001164733679 720531659 /nfs/dbraw/zinc/53/16/59/720531659.db2.gz FDZRXIOEMDNQLP-IBGZPJMESA-N 1 0 421.549 2.516 20 0 HFADRO COCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(SC)n1 ZINC001164842914 720540264 /nfs/dbraw/zinc/54/02/64/720540264.db2.gz YVCXVVBLCKAONU-QXAKKESOSA-N 1 0 416.595 2.919 20 0 HFADRO COCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(SC)n1 ZINC001164842912 720540927 /nfs/dbraw/zinc/54/09/27/720540927.db2.gz YVCXVVBLCKAONU-BHIYHBOVSA-N 1 0 416.595 2.919 20 0 HFADRO COCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(SC)n1 ZINC001164842915 720540995 /nfs/dbraw/zinc/54/09/95/720540995.db2.gz YVCXVVBLCKAONU-YTQUADARSA-N 1 0 416.595 2.919 20 0 HFADRO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841460 720544377 /nfs/dbraw/zinc/54/43/77/720544377.db2.gz VYKRDUSTAPSBJK-MBOZVWFJSA-N 1 0 415.513 2.890 20 0 HFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164736088 720591803 /nfs/dbraw/zinc/59/18/03/720591803.db2.gz BDFXPPFJYVVLKX-UHFFFAOYSA-N 1 0 414.517 2.671 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2c1ccn2C ZINC001164843587 720640244 /nfs/dbraw/zinc/64/02/44/720640244.db2.gz YIWLWPLBFAHHCM-ZIFCJYIRSA-N 1 0 409.538 2.551 20 0 HFADRO c1[nH]c2ccccc2c1-c1ccnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736688 720689469 /nfs/dbraw/zinc/68/94/69/720689469.db2.gz ALDQGKIZRJHVBH-DLBZAZTESA-N 1 0 413.485 2.757 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(n1)NC(=O)CO3)CC2 ZINC001164844509 720694360 /nfs/dbraw/zinc/69/43/60/720694360.db2.gz SPTZZTZKPDBPPB-SFHVURJKSA-N 1 0 408.502 2.672 20 0 HFADRO C[C@H]1C(=O)Nc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843340 720696099 /nfs/dbraw/zinc/69/60/99/720696099.db2.gz OFQDNRDEOSAUOG-AEFFLSMTSA-N 1 0 407.518 2.792 20 0 HFADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843341 720696635 /nfs/dbraw/zinc/69/66/35/720696635.db2.gz OFQDNRDEOSAUOG-FUHWJXTLSA-N 1 0 407.518 2.792 20 0 HFADRO CN(C)c1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc2nc[nH]c21 ZINC001164841855 720698389 /nfs/dbraw/zinc/69/83/89/720698389.db2.gz JNPINFMQQYYQPQ-GOSISDBHSA-N 1 0 421.549 2.679 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc(N3CCOCC3)n1)CC2 ZINC001164844494 720699729 /nfs/dbraw/zinc/69/97/29/720699729.db2.gz SLZJWLVKRXCCDP-OAQYLSRUSA-N 1 0 423.561 2.573 20 0 HFADRO Clc1ncc(-c2ccccc2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737577 720700664 /nfs/dbraw/zinc/70/06/64/720700664.db2.gz GJBFLGKVYKCXTM-SJORKVTESA-N 1 0 408.893 2.929 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164838392 720708452 /nfs/dbraw/zinc/70/84/52/720708452.db2.gz IXMQIQQRAMGVMG-SFHVURJKSA-N 1 0 421.545 2.966 20 0 HFADRO CCOC(=O)c1nccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836967 720716282 /nfs/dbraw/zinc/71/62/82/720716282.db2.gz CDBKFGSALNFEIC-LJQANCHMSA-N 1 0 410.518 2.913 20 0 HFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737172 720728688 /nfs/dbraw/zinc/72/86/88/720728688.db2.gz AJBREFAWMFIZCD-ROUUACIJSA-N 1 0 419.485 2.543 20 0 HFADRO Clc1cccc(-c2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)c1 ZINC001164738948 720771752 /nfs/dbraw/zinc/77/17/52/720771752.db2.gz HAKRQQGVNUXFFK-ZWKOTPCHSA-N 1 0 408.893 2.929 20 0 HFADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745849 720773396 /nfs/dbraw/zinc/77/33/96/720773396.db2.gz WAQXGFHHKUTZCT-WOJBJXKFSA-N 1 0 416.529 2.967 20 0 HFADRO CCc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738034 720781016 /nfs/dbraw/zinc/78/10/16/720781016.db2.gz DOLQXZACYIMAPQ-PMACEKPBSA-N 1 0 402.502 2.838 20 0 HFADRO c1ccc(CSc2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164746080 720789621 /nfs/dbraw/zinc/78/96/21/720789621.db2.gz LSWBFLSYPFMKME-RBUKOAKNSA-N 1 0 420.542 2.901 20 0 HFADRO c1ccc(CSc2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164746083 720790160 /nfs/dbraw/zinc/79/01/60/720790160.db2.gz LSWBFLSYPFMKME-RTBURBONSA-N 1 0 420.542 2.901 20 0 HFADRO CCN(c1ccccc1)c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164744088 720790741 /nfs/dbraw/zinc/79/07/41/720790741.db2.gz HIKJGEZFPXKXDB-WOJBJXKFSA-N 1 0 417.517 2.767 20 0 HFADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746701 720798362 /nfs/dbraw/zinc/79/83/62/720798362.db2.gz MQJYXACDJXPHPZ-RTBURBONSA-N 1 0 420.542 2.901 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750391 720807890 /nfs/dbraw/zinc/80/78/90/720807890.db2.gz VLBVVEKUKFJZID-PWRODBHTSA-N 1 0 422.581 2.578 20 0 HFADRO Cc1cccc(CN2CC[C@]3(CCN(c4cccc(N5CC[NH+](C)CC5)n4)C3)C2=O)c1 ZINC001164848045 720808073 /nfs/dbraw/zinc/80/80/73/720808073.db2.gz BQAHRPWHZWPWGL-RUZDIDTESA-N 1 0 419.573 2.771 20 0 HFADRO Cc1nc2sccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743401 720808527 /nfs/dbraw/zinc/80/85/27/720808527.db2.gz FWJLULJXGUITAL-YQVWRLOYSA-N 1 0 409.563 2.971 20 0 HFADRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164745971 720808885 /nfs/dbraw/zinc/80/88/85/720808885.db2.gz LASKTHTUQCBCJA-OKZBNKHCSA-N 1 0 401.946 2.718 20 0 HFADRO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747487 720814165 /nfs/dbraw/zinc/81/41/65/720814165.db2.gz OEJLITSLFIQWSE-HRCADAONSA-N 1 0 423.899 2.646 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746911 720817502 /nfs/dbraw/zinc/81/75/02/720817502.db2.gz ZLBNGSHHVUVNEL-SVFBPWRDSA-N 1 0 424.549 2.538 20 0 HFADRO Cc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741455 720819356 /nfs/dbraw/zinc/81/93/56/720819356.db2.gz NVPJCHBXBYKRRT-XQBPLPMBSA-N 1 0 403.534 2.909 20 0 HFADRO COc1ccc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164741782 720821311 /nfs/dbraw/zinc/82/13/11/720821311.db2.gz OFTWBRHPOOHGRZ-WOIUINJBSA-N 1 0 419.533 2.609 20 0 HFADRO Cc1nc(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164742790 720824678 /nfs/dbraw/zinc/82/46/78/720824678.db2.gz QWRZMLKHOWPCRP-RCCFBDPRSA-N 1 0 401.946 2.718 20 0 HFADRO Fc1cccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744117 720824975 /nfs/dbraw/zinc/82/49/75/720824975.db2.gz UFOZGCJJKCGVEA-SQGPQFPESA-N 1 0 407.497 2.740 20 0 HFADRO COc1cc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739274 720826773 /nfs/dbraw/zinc/82/67/73/720826773.db2.gz HWXICWPFRZOENO-RYQLBKOJSA-N 1 0 402.930 2.715 20 0 HFADRO Cc1[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164737383 720830713 /nfs/dbraw/zinc/83/07/13/720830713.db2.gz AQDANPSLYDOKDO-GBESFXJTSA-N 1 0 406.538 2.546 20 0 HFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748127 720852306 /nfs/dbraw/zinc/85/23/06/720852306.db2.gz KJLRMVUCPRBVCR-KCZVDYSFSA-N 1 0 416.533 2.510 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@H]2C1 ZINC001164857420 720870777 /nfs/dbraw/zinc/87/07/77/720870777.db2.gz QTAXYUMQCZJRKV-ZWKOTPCHSA-N 1 0 415.538 2.603 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164859983 720872971 /nfs/dbraw/zinc/87/29/71/720872971.db2.gz NUDLUBPMYQQOQG-JSGCOSHPSA-N 1 0 412.321 2.505 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@H]2C1 ZINC001164859262 720876335 /nfs/dbraw/zinc/87/63/35/720876335.db2.gz MGLHYTZXRBAESK-FXAWDEMLSA-N 1 0 402.926 2.971 20 0 HFADRO Cc1c(Cl)nc(C2CCC2)nc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164753675 720968823 /nfs/dbraw/zinc/96/88/23/720968823.db2.gz HXEXVICVYUQVKN-UHFFFAOYSA-N 1 0 418.929 2.548 20 0 HFADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164871409 721072863 /nfs/dbraw/zinc/07/28/63/721072863.db2.gz YQDXSPJGZGJMKL-CVEARBPZSA-N 1 0 409.868 2.858 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(NC(=O)OC(C)(C)C)ncn4)C[C@@H]3C2)cn1 ZINC001164762107 721091287 /nfs/dbraw/zinc/09/12/87/721091287.db2.gz CNDSYSFWCSRHSH-IRXDYDNUSA-N 1 0 413.526 2.515 20 0 HFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769944 721107473 /nfs/dbraw/zinc/10/74/73/721107473.db2.gz QMJPJSQVVIODQU-DLBZAZTESA-N 1 0 417.941 2.912 20 0 HFADRO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)[nH]c-2n1 ZINC001164865607 721115079 /nfs/dbraw/zinc/11/50/79/721115079.db2.gz NKMATTKCJZXNIP-OALUTQOASA-N 1 0 421.501 2.614 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164769170 721122372 /nfs/dbraw/zinc/12/23/72/721122372.db2.gz PRFWRWWXQUXJST-HOTGVXAUSA-N 1 0 411.884 2.894 20 0 HFADRO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762083 721127300 /nfs/dbraw/zinc/12/73/00/721127300.db2.gz BVIQFHWHFLTZHA-HOTGVXAUSA-N 1 0 412.925 2.984 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(OCc5ccccc5)cnn4)C[C@H]3C2)cn1 ZINC001164772739 721152836 /nfs/dbraw/zinc/15/28/36/721152836.db2.gz VUWZKHWESJMAPM-NHCUHLMSSA-N 1 0 404.518 2.747 20 0 HFADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164768427 721218896 /nfs/dbraw/zinc/21/88/96/721218896.db2.gz KZSKSDTVVNTGNB-LEWJYISDSA-N 1 0 403.534 2.847 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc4ccccc4cc3Cl)CC2)C1 ZINC001164870282 721269357 /nfs/dbraw/zinc/26/93/57/721269357.db2.gz VDSXFNRVLBXATN-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4ccc(Cl)cc4n3)CC2)C1 ZINC001164872945 721278965 /nfs/dbraw/zinc/27/89/65/721278965.db2.gz IXOKUQJKZAKDFJ-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc4c3ncn4C)C2)C1 ZINC001164776706 721339549 /nfs/dbraw/zinc/33/95/49/721339549.db2.gz HXSVHKNIWCFPFL-JOCHJYFZSA-N 1 0 410.522 2.692 20 0 HFADRO COc1nc(C)cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780013 721350270 /nfs/dbraw/zinc/35/02/70/721350270.db2.gz YHIKWCHNHWEWGC-NRFANRHFSA-N 1 0 401.511 2.517 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccnc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164885698 721390268 /nfs/dbraw/zinc/39/02/68/721390268.db2.gz DDJBPDAJFCEOKX-QPPBQGQZSA-N 1 0 407.562 2.909 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccoc54)C3)O2)CC1 ZINC001164890519 721423371 /nfs/dbraw/zinc/42/33/71/721423371.db2.gz SYZGYTBWPBXIQJ-MGPUTAFESA-N 1 0 405.930 2.642 20 0 HFADRO Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2s1 ZINC001164889572 721428525 /nfs/dbraw/zinc/42/85/25/721428525.db2.gz BUILMXJXPHKTSK-DYESRHJHSA-N 1 0 401.580 2.765 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895782 721430785 /nfs/dbraw/zinc/43/07/85/721430785.db2.gz PLILZNPFQGAQJK-HNAYVOBHSA-N 1 0 412.003 2.617 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896692 721438300 /nfs/dbraw/zinc/43/83/00/721438300.db2.gz RTTUZHSMSMEGCJ-AVRDEDQJSA-N 1 0 413.591 2.971 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccsc5)nn4)C3)O2)CC1 ZINC001164898510 721444767 /nfs/dbraw/zinc/44/47/67/721444767.db2.gz WCYNYURJCZHSHQ-KNQAVFIVSA-N 1 0 413.591 2.971 20 0 HFADRO CCOc1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164788575 721457348 /nfs/dbraw/zinc/45/73/48/721457348.db2.gz UFIOQVRMRKTHHU-LJQANCHMSA-N 1 0 404.555 2.609 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(Cl)c[n+]1[O-])CC2 ZINC001164783503 721465048 /nfs/dbraw/zinc/46/50/48/721465048.db2.gz DGYMXAWQWUIHKY-IBGZPJMESA-N 1 0 409.958 2.707 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc(OC)c1C)CC2 ZINC001164791245 721470622 /nfs/dbraw/zinc/47/06/22/721470622.db2.gz VYTYKXFCXZZDCX-FQEVSTJZSA-N 1 0 418.582 2.836 20 0 HFADRO CCOC(=O)Cc1ccc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164796361 721498089 /nfs/dbraw/zinc/49/80/89/721498089.db2.gz RLJHFDNGUBDEMZ-UHFFFAOYSA-N 1 0 409.534 2.858 20 0 HFADRO Cc1cc(C(F)(F)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc(Cl)n1 ZINC001164796589 721508993 /nfs/dbraw/zinc/50/89/93/721508993.db2.gz STBIEJWERCIVLB-UHFFFAOYSA-N 1 0 410.900 2.552 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900115 721511082 /nfs/dbraw/zinc/51/10/82/721511082.db2.gz OFVGJCWIIXBDCF-HOCLYGCPSA-N 1 0 420.872 2.788 20 0 HFADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc21 ZINC001164900683 721524317 /nfs/dbraw/zinc/52/43/17/721524317.db2.gz SYOQONIEYZQGEO-SJLPKXTDSA-N 1 0 422.460 2.897 20 0 HFADRO Cc1nc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2[nH]1 ZINC001164900306 721525470 /nfs/dbraw/zinc/52/54/70/721525470.db2.gz PZPADVBJMMMMPU-UKRRQHHQSA-N 1 0 402.861 2.796 20 0 HFADRO O=c1cc2[nH]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164905190 721536667 /nfs/dbraw/zinc/53/66/67/721536667.db2.gz GJQWQAOVPVMOLS-UKRRQHHQSA-N 1 0 402.857 2.711 20 0 HFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)c1 ZINC001164905859 721542360 /nfs/dbraw/zinc/54/23/60/721542360.db2.gz JHSDSLQICDTWEJ-MJGOQNOKSA-N 1 0 415.465 2.748 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)cc-2n1 ZINC001164910378 721548843 /nfs/dbraw/zinc/54/88/43/721548843.db2.gz UMIMVTYCHPVIJD-WMZOPIPTSA-N 1 0 410.449 2.831 20 0 HFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc[nH]c5nc(=S)sc4-5)CC[N@@H+]3C2)c1 ZINC001164906827 721550095 /nfs/dbraw/zinc/55/00/95/721550095.db2.gz LMVYHNBDPIWHCS-JSGCOSHPSA-N 1 0 403.508 2.856 20 0 HFADRO CCOC(=O)c1cnc(CC)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903183 721562780 /nfs/dbraw/zinc/56/27/80/721562780.db2.gz BJKRRHCBEDRTDP-AEFFLSMTSA-N 1 0 414.481 2.697 20 0 HFADRO Cc1noc(-c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2)n1 ZINC001164809552 721580680 /nfs/dbraw/zinc/58/06/80/721580680.db2.gz TVFTWCMSSCKVEQ-ZJOUEHCJSA-N 1 0 406.490 2.703 20 0 HFADRO CCOC(=O)c1cncnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164902206 721583347 /nfs/dbraw/zinc/58/33/47/721583347.db2.gz CWMSKHDKEUVYQC-FQEVSTJZSA-N 1 0 417.460 2.786 20 0 HFADRO C[C@@H]1CCCN(c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ncn2)C1 ZINC001164800176 721585008 /nfs/dbraw/zinc/58/50/08/721585008.db2.gz CILIGHKGDJQGPA-HBDUWURDSA-N 1 0 422.577 2.976 20 0 HFADRO Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2ccc(N4CC[NH+](C)CC4)nn2)C3)c1 ZINC001164800341 721600408 /nfs/dbraw/zinc/60/04/08/721600408.db2.gz LFPVSAJZAYHDBM-URXFXBBRSA-N 1 0 422.577 2.755 20 0 HFADRO C[C@@H]1CN(c2cc(C[NH+](C)C)ccn2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008901 721691963 /nfs/dbraw/zinc/69/19/63/721691963.db2.gz LRGXVWWPZVLEPJ-LLBVYWAGSA-N 1 0 409.534 2.941 20 0 HFADRO COCCOc1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164912768 721725388 /nfs/dbraw/zinc/72/53/88/721725388.db2.gz QABZPWURFZQPOT-FQEVSTJZSA-N 1 0 419.476 2.635 20 0 HFADRO NC(=O)c1ccnc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913086 721734125 /nfs/dbraw/zinc/73/41/25/721734125.db2.gz SJPFXDZOWFCKNR-IBGZPJMESA-N 1 0 421.879 2.967 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1C ZINC001165010602 721737847 /nfs/dbraw/zinc/73/78/47/721737847.db2.gz GKLOYKJTVFHOPR-UHFFFAOYSA-N 1 0 422.957 2.743 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001165011282 721744489 /nfs/dbraw/zinc/74/44/89/721744489.db2.gz UHUKKKFALSGOJW-UHFFFAOYSA-N 1 0 417.554 2.952 20 0 HFADRO COc1ccccc1-c1ccc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nn1 ZINC001165009744 721745280 /nfs/dbraw/zinc/74/52/80/721745280.db2.gz IJDUVCRPKQGEAN-UHFFFAOYSA-N 1 0 409.534 2.675 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(C)(=O)=O)C[C@H]21 ZINC001165021295 721807269 /nfs/dbraw/zinc/80/72/69/721807269.db2.gz GCSLBNSXEYPKFC-QXAKKESOSA-N 1 0 400.548 2.617 20 0 HFADRO COC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022616 721816302 /nfs/dbraw/zinc/81/63/02/721816302.db2.gz GDRUXGCTHCELCX-SNRMKQJTSA-N 1 0 420.517 2.876 20 0 HFADRO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]c(C)cc5[nH]ccc54)CCO3)C2)cs1 ZINC001164923619 721829118 /nfs/dbraw/zinc/82/91/18/721829118.db2.gz SZUDMAROJGZNJH-NRFANRHFSA-N 1 0 413.547 2.744 20 0 HFADRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164920696 721836957 /nfs/dbraw/zinc/83/69/57/721836957.db2.gz APEFEWFASFTRRY-OFNKIYASSA-N 1 0 408.550 2.730 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(NC(N)=S)cn2)CC1 ZINC001165029791 721844669 /nfs/dbraw/zinc/84/46/69/721844669.db2.gz DHTORHYBNUWNCJ-UHFFFAOYSA-N 1 0 415.563 2.855 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164923863 721873802 /nfs/dbraw/zinc/87/38/02/721873802.db2.gz KJUPRLXDRZCWBC-DLBZAZTESA-N 1 0 411.884 2.923 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164933624 721887632 /nfs/dbraw/zinc/88/76/32/721887632.db2.gz NLIWMLJFIMGWFU-HUUCEWRRSA-N 1 0 417.888 2.587 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164935461 721889092 /nfs/dbraw/zinc/88/90/92/721889092.db2.gz WUKCMJUFDUYFAY-CABCVRRESA-N 1 0 417.888 2.587 20 0 HFADRO C[NH+](C)[C@H]1CCCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)C1 ZINC001165034272 721895890 /nfs/dbraw/zinc/89/58/90/721895890.db2.gz AIRASUHGEVUMNU-HNNXBMFYSA-N 1 0 401.580 2.543 20 0 HFADRO C[NH+](C)CC1CCN(c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001165044965 721947116 /nfs/dbraw/zinc/94/71/16/721947116.db2.gz KWOBGMJLASBPJG-UHFFFAOYSA-N 1 0 421.589 2.818 20 0 HFADRO Clc1nc2c(Cl)ncnc2c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045529 721961272 /nfs/dbraw/zinc/96/12/72/721961272.db2.gz WXGRYEJECWZULU-UHFFFAOYSA-N 1 0 405.289 2.928 20 0 HFADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164951500 721981399 /nfs/dbraw/zinc/98/13/99/721981399.db2.gz ZUKLWRXVNSUFMS-UHFFFAOYSA-N 1 0 419.573 2.648 20 0 HFADRO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953605 722018614 /nfs/dbraw/zinc/01/86/14/722018614.db2.gz VQIARLXFKJKDDO-UHFFFAOYSA-N 1 0 421.332 2.770 20 0 HFADRO O=c1ccccn1-c1nccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955212 722022929 /nfs/dbraw/zinc/02/29/29/722022929.db2.gz ACROWBCVLRYZTL-UHFFFAOYSA-N 1 0 402.502 2.515 20 0 HFADRO COc1cnc(SC)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958057 722052658 /nfs/dbraw/zinc/05/26/58/722052658.db2.gz BEFJICVIBHIDGX-UHFFFAOYSA-N 1 0 415.563 2.721 20 0 HFADRO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978223 722098929 /nfs/dbraw/zinc/09/89/29/722098929.db2.gz GGPDFVPBPVEUQB-CVEARBPZSA-N 1 0 409.868 2.797 20 0 HFADRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986230 722099052 /nfs/dbraw/zinc/09/90/52/722099052.db2.gz YLZKCBYQBJTRAY-SFTDATJTSA-N 1 0 408.550 2.729 20 0 HFADRO CCOC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164986188 722099705 /nfs/dbraw/zinc/09/97/05/722099705.db2.gz YIPGDWLPYBODGF-CTNGQTDRSA-N 1 0 410.518 2.689 20 0 HFADRO CCOC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164986197 722099907 /nfs/dbraw/zinc/09/99/07/722099907.db2.gz YIPGDWLPYBODGF-TZIWHRDSSA-N 1 0 410.518 2.689 20 0 HFADRO COC(=O)c1cnc(Cl)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978290 722100201 /nfs/dbraw/zinc/10/02/01/722100201.db2.gz GOZVRHDNPUWSBB-QFBILLFUSA-N 1 0 416.909 2.644 20 0 HFADRO COc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164986431 722106500 /nfs/dbraw/zinc/10/65/00/722106500.db2.gz YZQQRRCAQZHYEV-XMSQKQJNSA-N 1 0 405.502 2.761 20 0 HFADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)SCC2 ZINC001164976614 722110611 /nfs/dbraw/zinc/11/06/11/722110611.db2.gz LYHOFNCVLJYYQA-NVXWUHKLSA-N 1 0 417.966 2.901 20 0 HFADRO COC(=O)c1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164983138 722115824 /nfs/dbraw/zinc/11/58/24/722115824.db2.gz YJNIHHSTUOJBCB-SJLPKXTDSA-N 1 0 416.909 2.644 20 0 HFADRO Clc1nc2cccnc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975818 722116800 /nfs/dbraw/zinc/11/68/00/722116800.db2.gz LBRAGVJMQYCOKJ-WMZOPIPTSA-N 1 0 410.909 2.801 20 0 HFADRO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973055 722119424 /nfs/dbraw/zinc/11/94/24/722119424.db2.gz GGRDSGXETQJFII-NVXWUHKLSA-N 1 0 409.868 2.797 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971910 722121433 /nfs/dbraw/zinc/12/14/33/722121433.db2.gz DMYYLVMEFJDACW-CVEARBPZSA-N 1 0 405.955 2.974 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971911 722121635 /nfs/dbraw/zinc/12/16/35/722121635.db2.gz DMYYLVMEFJDACW-HOTGVXAUSA-N 1 0 405.955 2.974 20 0 HFADRO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978864 722133904 /nfs/dbraw/zinc/13/39/04/722133904.db2.gz KBQKMFIQDIMGNI-HZPDHXFCSA-N 1 0 409.868 2.797 20 0 HFADRO CCOCc1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973375 722135349 /nfs/dbraw/zinc/13/53/49/722135349.db2.gz BZEVKRZKEWKBKA-IEBWSBKVSA-N 1 0 417.941 2.789 20 0 HFADRO CCOCc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973381 722135657 /nfs/dbraw/zinc/13/56/57/722135657.db2.gz BZEVKRZKEWKBKA-PKOBYXMFSA-N 1 0 417.941 2.789 20 0 HFADRO FC(F)(c1nccnc1Cl)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978064 722136614 /nfs/dbraw/zinc/13/66/14/722136614.db2.gz JMEKBMMCVJWIFY-HOTGVXAUSA-N 1 0 409.868 2.797 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@H]3C2)c1 ZINC001164983854 722139977 /nfs/dbraw/zinc/13/99/77/722139977.db2.gz VWLFFBHOFCWKLX-LEWJYISDSA-N 1 0 408.550 2.589 20 0 HFADRO Cc1noc(-c2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982220 722142665 /nfs/dbraw/zinc/14/26/65/722142665.db2.gz RKYVIPSFJWUWEF-ICSRJNTNSA-N 1 0 406.490 2.562 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984213 722147210 /nfs/dbraw/zinc/14/72/10/722147210.db2.gz WLDCBTKMNKCRPI-GMAHTHKFSA-N 1 0 416.529 2.969 20 0 HFADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4[C@@H](OCC5CC5)c5ccccc5[C@H]4C3)nn2)CC1 ZINC001164979663 722170404 /nfs/dbraw/zinc/17/04/04/722170404.db2.gz VKDFPLGQNIAHQQ-DPLHUUCSSA-N 1 0 405.546 2.930 20 0 HFADRO C[C@@H]1C(=O)Nc2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2N1C ZINC001164995981 722200253 /nfs/dbraw/zinc/20/02/53/722200253.db2.gz RBCJPGPJCYDADY-IVZQSRNASA-N 1 0 410.497 2.637 20 0 HFADRO C[N@H+](Cc1ccc(N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1)C1CC1 ZINC001165000407 722248335 /nfs/dbraw/zinc/24/83/35/722248335.db2.gz HVVQZKREHDQUPF-UHFFFAOYSA-N 1 0 404.474 2.874 20 0 HFADRO Cc1sc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001164999605 722251015 /nfs/dbraw/zinc/25/10/15/722251015.db2.gz DPZRJANMSXOILS-UHFFFAOYSA-N 1 0 400.552 2.993 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001164999599 722252149 /nfs/dbraw/zinc/25/21/49/722252149.db2.gz DKIQHLFMCSRQCM-UHFFFAOYSA-N 1 0 403.918 2.605 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001652 722254877 /nfs/dbraw/zinc/25/48/77/722254877.db2.gz FEPZLSFAPVFWTI-UHFFFAOYSA-N 1 0 423.517 2.706 20 0 HFADRO CCOC(=O)c1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1Cl ZINC001165001550 722255640 /nfs/dbraw/zinc/25/56/40/722255640.db2.gz BLZIESNDAYRSJB-UHFFFAOYSA-N 1 0 421.929 2.597 20 0 HFADRO CCCSc1ncnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1OC ZINC001165004617 722257966 /nfs/dbraw/zinc/25/79/66/722257966.db2.gz UEOVDXHZPDHDHZ-UHFFFAOYSA-N 1 0 420.583 2.672 20 0 HFADRO COc1ccc(CNC(=O)C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000790468982 1078045251 /nfs/dbraw/zinc/04/52/51/1078045251.db2.gz HENNYOZWPAQFNH-UHFFFAOYSA-N 1 0 411.502 2.702 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000790468883 1078045336 /nfs/dbraw/zinc/04/53/36/1078045336.db2.gz BSBHCQQXBOVRDG-UHFFFAOYSA-N 1 0 416.543 2.992 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000793035588 1078052789 /nfs/dbraw/zinc/05/27/89/1078052789.db2.gz HSFMHULRUCFWIM-UHFFFAOYSA-N 1 0 400.426 2.821 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)c2nc(Br)ccc2Br)cn1 ZINC000790552213 1078054384 /nfs/dbraw/zinc/05/43/84/1078054384.db2.gz UZVGORJKEVHPQI-UHFFFAOYSA-N 1 0 417.105 2.617 20 0 HFADRO C[C@@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000793045176 1078055243 /nfs/dbraw/zinc/05/52/43/1078055243.db2.gz WPRSHEKTUULJQA-UYAOXDASSA-N 1 0 414.550 2.985 20 0 HFADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1OC ZINC000793046120 1078055629 /nfs/dbraw/zinc/05/56/29/1078055629.db2.gz ZAOLDQOFSINBDK-VBHSOAQHSA-N 1 0 401.429 2.969 20 0 HFADRO Cc1cccc(CC2(O)CCN(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000793023253 1078058583 /nfs/dbraw/zinc/05/85/83/1078058583.db2.gz XPWCYPVFGBRISO-QFIPXVFZSA-N 1 0 415.578 2.717 20 0 HFADRO O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793023220 1078058605 /nfs/dbraw/zinc/05/86/05/1078058605.db2.gz WVVWTQYEEZIMEN-BHIFYINESA-N 1 0 409.534 2.671 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 ZINC000790595420 1078063589 /nfs/dbraw/zinc/06/35/89/1078063589.db2.gz UUPIRIBOHZNUQH-FQEVSTJZSA-N 1 0 410.518 2.750 20 0 HFADRO C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CCN1C(=O)OC(C)(C)C ZINC000793085837 1078064360 /nfs/dbraw/zinc/06/43/60/1078064360.db2.gz PKQKGZJODQLIJZ-IRXDYDNUSA-N 1 0 417.554 2.808 20 0 HFADRO CC(C)n1nccc1CN1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000793087255 1078065505 /nfs/dbraw/zinc/06/55/05/1078065505.db2.gz GVTJGTRHZXJSRV-KRWDZBQOSA-N 1 0 405.543 2.508 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000793093635 1078067527 /nfs/dbraw/zinc/06/75/27/1078067527.db2.gz SZBDGQYGJSDHPJ-QFBILLFUSA-N 1 0 402.926 2.902 20 0 HFADRO Cc1c(Br)cccc1CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000790630013 1078067820 /nfs/dbraw/zinc/06/78/20/1078067820.db2.gz GDQDMLBMDPZWFM-SFHVURJKSA-N 1 0 408.384 2.927 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)C1=O ZINC000790607477 1078074399 /nfs/dbraw/zinc/07/43/99/1078074399.db2.gz CYPVTOFSHVOLJU-HSZRJFAPSA-N 1 0 416.485 2.986 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(Cl)cc2OC)cc1 ZINC000793110662 1078081926 /nfs/dbraw/zinc/08/19/26/1078081926.db2.gz PAPODYGDHKMXLD-QGZVFWFLSA-N 1 0 405.882 2.715 20 0 HFADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cn2)CC1 ZINC000790667539 1078084584 /nfs/dbraw/zinc/08/45/84/1078084584.db2.gz NYLULVGFNQFLRR-QAPCUYQASA-N 1 0 412.365 2.559 20 0 HFADRO COc1cc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc(Br)c1OC ZINC000793145559 1078089887 /nfs/dbraw/zinc/08/98/87/1078089887.db2.gz DLXXMYJBOFECPU-AWEZNQCLSA-N 1 0 416.312 2.980 20 0 HFADRO COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000790704072 1078100890 /nfs/dbraw/zinc/10/08/90/1078100890.db2.gz YFTFGNWDNBNLME-LJQANCHMSA-N 1 0 402.539 2.930 20 0 HFADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C(F)(F)C3CCOCC3)cc2)CC1 ZINC000790659172 1078095670 /nfs/dbraw/zinc/09/56/70/1078095670.db2.gz RBVCIIXYIVJCHO-UHFFFAOYSA-N 1 0 410.465 2.903 20 0 HFADRO O=C1c2cc(Br)ccc2N(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772827641 1078096802 /nfs/dbraw/zinc/09/68/02/1078096802.db2.gz JKTXPSLJQFLUDZ-GUYCJALGSA-N 1 0 418.335 2.885 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)c2nc(Br)ccc2Br)C[N@@H+]1C1CC1 ZINC000790761873 1078113273 /nfs/dbraw/zinc/11/32/73/1078113273.db2.gz YUEQBTXUAIFQDC-BDAKNGLRSA-N 1 0 403.118 2.962 20 0 HFADRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000793287218 1078118646 /nfs/dbraw/zinc/11/86/46/1078118646.db2.gz WUCNOJAFUPQWSK-WCIQWLHISA-N 1 0 409.571 2.639 20 0 HFADRO C[C@H](CNC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000790769943 1078128484 /nfs/dbraw/zinc/12/84/84/1078128484.db2.gz MDIJIWHGWIFCIV-IKGGRYGDSA-N 1 0 400.539 2.850 20 0 HFADRO CC[NH+]1CCC(CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000790771005 1078128702 /nfs/dbraw/zinc/12/87/02/1078128702.db2.gz UBKIIARFDYVWSW-IRXDYDNUSA-N 1 0 400.539 2.707 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793313320 1078133654 /nfs/dbraw/zinc/13/36/54/1078133654.db2.gz VSJKMAKEEYBQCB-OYRHEFFESA-N 1 0 424.545 2.817 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC1CC([NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000790845816 1078146523 /nfs/dbraw/zinc/14/65/23/1078146523.db2.gz FWTOZORXXYMATQ-BFWZDYSYSA-N 1 0 412.550 2.992 20 0 HFADRO CC[NH+]1CCC(N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793352327 1078157021 /nfs/dbraw/zinc/15/70/21/1078157021.db2.gz LKWRWZJEZLAIOP-BGYRXZFFSA-N 1 0 410.518 2.521 20 0 HFADRO C[C@@H](NC(=O)c1nc(Br)ccc1Br)C1=CC[N@H+](C)CC1 ZINC000790867563 1078164132 /nfs/dbraw/zinc/16/41/32/1078164132.db2.gz UWRDZQOBTRYZDZ-SECBINFHSA-N 1 0 403.118 2.987 20 0 HFADRO COCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000747120788 1078173837 /nfs/dbraw/zinc/17/38/37/1078173837.db2.gz IBHVOVUMKGIVPJ-UHFFFAOYSA-N 1 0 424.545 2.846 20 0 HFADRO O=C(COC(=O)c1cnc(Cc2ccccc2F)s1)NC1CC[NH+](C2CC2)CC1 ZINC000772834583 1078177697 /nfs/dbraw/zinc/17/76/97/1078177697.db2.gz JMFMXERRKWPUAE-UHFFFAOYSA-N 1 0 417.506 2.773 20 0 HFADRO Cc1cc(C)c(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1C=O ZINC000793479521 1078188024 /nfs/dbraw/zinc/18/80/24/1078188024.db2.gz QAEPIIQYHMAHBA-UHFFFAOYSA-N 1 0 407.514 2.872 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)cc2)CC1 ZINC000793486969 1078190482 /nfs/dbraw/zinc/19/04/82/1078190482.db2.gz CJWLIOMQLZEDRA-LJQANCHMSA-N 1 0 403.523 2.785 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)[C@H](C)C1 ZINC000793510759 1078194819 /nfs/dbraw/zinc/19/48/19/1078194819.db2.gz AJIHMMHUVCLOBI-FGTMMUONSA-N 1 0 411.587 2.885 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cnc(Br)c(OC)c2)cc1 ZINC000793516144 1078196667 /nfs/dbraw/zinc/19/66/67/1078196667.db2.gz IIFSOJJNYYZZIN-HNNXBMFYSA-N 1 0 408.296 2.894 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793514746 1078196690 /nfs/dbraw/zinc/19/66/90/1078196690.db2.gz MDLNLUPTTGKCFN-MISYRCLQSA-N 1 0 410.518 2.569 20 0 HFADRO CCOC(=O)[C@]1(COC)CCCN(CN2CC[C@H](CCc3ccccc3)C2=O)C1 ZINC000793515495 1078197052 /nfs/dbraw/zinc/19/70/52/1078197052.db2.gz KAYSFHTZOZSIQR-NZQKXSOJSA-N 1 0 402.535 2.717 20 0 HFADRO C[C@]12CCN(CN3C(=O)N[C@]4(CCC[N@H+](Cc5ccccc5)C4)C3=O)C[C@H]1C2(F)F ZINC000793536313 1078206360 /nfs/dbraw/zinc/20/63/60/1078206360.db2.gz YMTNLILKKVAFRG-QMMLZNLJSA-N 1 0 418.488 2.508 20 0 HFADRO C[C@H](NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C(C)(C)C[NH+](C)C ZINC000793550791 1078208373 /nfs/dbraw/zinc/20/83/73/1078208373.db2.gz ALDACTKHCLQSKB-ZYSHUDEJSA-N 1 0 412.534 2.671 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170434867 1078210409 /nfs/dbraw/zinc/21/04/09/1078210409.db2.gz ANHDWUKFASBZDX-NVJIOZQYSA-N 1 0 423.513 2.793 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(c1nccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170434877 1078210769 /nfs/dbraw/zinc/21/07/69/1078210769.db2.gz APQUZOVEKABLHD-RTBURBONSA-N 1 0 412.534 2.888 20 0 HFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000793566959 1078211621 /nfs/dbraw/zinc/21/16/21/1078211621.db2.gz GONBZYCYYBLNPH-NYHFZMIOSA-N 1 0 400.523 2.648 20 0 HFADRO C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170435073 1078217056 /nfs/dbraw/zinc/21/70/56/1078217056.db2.gz NJHGZCFNWWVYEQ-HNNXBMFYSA-N 1 0 401.548 2.641 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(NS(C)(=O)=O)c3)C2)C1 ZINC000793605885 1078223263 /nfs/dbraw/zinc/22/32/63/1078223263.db2.gz RYEDGLKUTGQFSG-HXUWFJFHSA-N 1 0 409.552 2.891 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]CC3CCC4(CC3)OCCO4)c2)C1=O ZINC000793606473 1078223747 /nfs/dbraw/zinc/22/37/47/1078223747.db2.gz LQFMMKZKQQQUBI-JOCHJYFZSA-N 1 0 413.518 2.934 20 0 HFADRO O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793622666 1078230275 /nfs/dbraw/zinc/23/02/75/1078230275.db2.gz AHUYCHVAEBPDAA-QZNJRLLKSA-N 1 0 413.562 2.936 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000793628109 1078232285 /nfs/dbraw/zinc/23/22/85/1078232285.db2.gz DJGGODRQSSSHQE-GOSISDBHSA-N 1 0 424.545 2.516 20 0 HFADRO COC(=O)[C@]1(NC(=O)COC2CCC(C)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000793636381 1078235737 /nfs/dbraw/zinc/23/57/37/1078235737.db2.gz QSIUJKGDSDCGAP-PXLSRWGNSA-N 1 0 402.535 2.906 20 0 HFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793635946 1078236005 /nfs/dbraw/zinc/23/60/05/1078236005.db2.gz JDFCQCIIYDOGIB-DENIHFKCSA-N 1 0 423.557 2.727 20 0 HFADRO Cc1c(NC(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)cccc1N1CN=NC1=O ZINC000793641122 1078238406 /nfs/dbraw/zinc/23/84/06/1078238406.db2.gz OAFYRLZJEMVMDS-FMIVXFBMSA-N 1 0 407.474 2.874 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000793641261 1078238509 /nfs/dbraw/zinc/23/85/09/1078238509.db2.gz WKZBSYLKTIUFCI-SFYKDHMMSA-N 1 0 423.557 2.868 20 0 HFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793641707 1078239102 /nfs/dbraw/zinc/23/91/02/1078239102.db2.gz HRJZKSQFGPEFNR-HNNXBMFYSA-N 1 0 410.584 2.918 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000793668665 1078246538 /nfs/dbraw/zinc/24/65/38/1078246538.db2.gz YXCSMJYQGUHORH-UXHICEINSA-N 1 0 423.561 2.602 20 0 HFADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000793709686 1078260205 /nfs/dbraw/zinc/26/02/05/1078260205.db2.gz PEWRLZXZRIFLHP-JBACZVJFSA-N 1 0 401.551 2.570 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1)[NH+]1CCCCC1 ZINC000793715472 1078261976 /nfs/dbraw/zinc/26/19/76/1078261976.db2.gz YVFCIWVYLZOUGG-HNNXBMFYSA-N 1 0 411.468 2.844 20 0 HFADRO Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000793716227 1078263341 /nfs/dbraw/zinc/26/33/41/1078263341.db2.gz ZBGBBUOHZOREOM-QZTJIDSGSA-N 1 0 420.985 2.582 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1nc(-c2ccccc2F)cs1)[NH+]1CCCCC1 ZINC000793725209 1078266930 /nfs/dbraw/zinc/26/69/30/1078266930.db2.gz RAMJUQHFLQTWIM-CQSZACIVSA-N 1 0 404.511 2.556 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000793727520 1078268831 /nfs/dbraw/zinc/26/88/31/1078268831.db2.gz UEQFASUNHSXSLG-HLAWJBBLSA-N 1 0 401.551 2.603 20 0 HFADRO CCC[C@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000793754251 1078277875 /nfs/dbraw/zinc/27/78/75/1078277875.db2.gz SMWWZWRAQUMGGT-FHWLQOOXSA-N 1 0 411.587 2.981 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)[NH+]1CCCCC1 ZINC000793698397 1078272520 /nfs/dbraw/zinc/27/25/20/1078272520.db2.gz KAANTUBOAZWIHE-RDTXWAMCSA-N 1 0 409.477 2.772 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)[NH+]1CCCCC1 ZINC000793698394 1078272553 /nfs/dbraw/zinc/27/25/53/1078272553.db2.gz KAANTUBOAZWIHE-KSSFIOAISA-N 1 0 409.477 2.772 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(Cn3nnn(-c4ccc(Br)cc4)c3=S)C2)C1 ZINC000793762622 1078281706 /nfs/dbraw/zinc/28/17/06/1078281706.db2.gz AJKJSILGNUGEHD-INIZCTEOSA-N 1 0 409.357 2.546 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000793737358 1078285658 /nfs/dbraw/zinc/28/56/58/1078285658.db2.gz HPIIVFMGJKIENP-MRXNPFEDSA-N 1 0 407.942 2.699 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000793746307 1078288840 /nfs/dbraw/zinc/28/88/40/1078288840.db2.gz FQHWWKLRCQWINX-GXTWGEPZSA-N 1 0 418.579 2.793 20 0 HFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000747146220 1078289311 /nfs/dbraw/zinc/28/93/11/1078289311.db2.gz ZUWROMXKUUZREY-FQEVSTJZSA-N 1 0 400.429 2.634 20 0 HFADRO Cc1cc(C)c(N2C[C@H](C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)CC2=O)c(C)c1 ZINC000747146237 1078289675 /nfs/dbraw/zinc/28/96/75/1078289675.db2.gz MLKNOQIXAHSLLU-PLACYPQZSA-N 1 0 413.562 2.675 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000793806693 1078306059 /nfs/dbraw/zinc/30/60/59/1078306059.db2.gz VCTUJNBRYCDMTI-GDBMZVCRSA-N 1 0 423.439 2.677 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)([NH+](C)C)C1 ZINC000793813963 1078315660 /nfs/dbraw/zinc/31/56/60/1078315660.db2.gz QMGPVCUFKLVDRI-ZHRMCQFGSA-N 1 0 415.578 2.585 20 0 HFADRO CN(CCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1F ZINC000793828824 1078319727 /nfs/dbraw/zinc/31/97/27/1078319727.db2.gz SWXRWUNKPSBEMZ-UHFFFAOYSA-N 1 0 418.557 2.682 20 0 HFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793900751 1078333105 /nfs/dbraw/zinc/33/31/05/1078333105.db2.gz AOBBYUAAIWUOQS-RTBURBONSA-N 1 0 410.518 2.521 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000793932441 1078341690 /nfs/dbraw/zinc/34/16/90/1078341690.db2.gz UANZSGKKTGMLAK-VJBMBRPKSA-N 1 0 423.557 2.829 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2C[C@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001170439864 1078340542 /nfs/dbraw/zinc/34/05/42/1078340542.db2.gz BKXLQRHSFPIMQY-NSAZKJPHSA-N 1 0 412.486 2.735 20 0 HFADRO CN(C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793952605 1078345739 /nfs/dbraw/zinc/34/57/39/1078345739.db2.gz SQZZUMDBFGKBRS-JBACZVJFSA-N 1 0 420.642 2.582 20 0 HFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 ZINC000794218708 1078395198 /nfs/dbraw/zinc/39/51/98/1078395198.db2.gz ZVZDQVNJXDWQOR-OAHLLOKOSA-N 1 0 401.548 2.706 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001170444960 1078398034 /nfs/dbraw/zinc/39/80/34/1078398034.db2.gz UTMXETMYSJJXCI-ZRNYENFQSA-N 1 0 402.535 2.846 20 0 HFADRO Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000794293327 1078402812 /nfs/dbraw/zinc/40/28/12/1078402812.db2.gz MKULXOVWVYDHJU-ROUUACIJSA-N 1 0 417.554 2.637 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001170445177 1078403583 /nfs/dbraw/zinc/40/35/83/1078403583.db2.gz WCVHMPMRRXOXHE-XFGYDDDFSA-N 1 0 403.519 2.879 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000794339067 1078419092 /nfs/dbraw/zinc/41/90/92/1078419092.db2.gz LFHXEPBBBCMDIY-LJQANCHMSA-N 1 0 409.408 2.665 20 0 HFADRO CC(C)[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000794348905 1078421793 /nfs/dbraw/zinc/42/17/93/1078421793.db2.gz YSVKPOQFGYFVEH-SFHVURJKSA-N 1 0 412.534 2.953 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000794404162 1078436375 /nfs/dbraw/zinc/43/63/75/1078436375.db2.gz IHANBZBWQDARBQ-RBUKOAKNSA-N 1 0 420.554 2.938 20 0 HFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001129395213 1078437527 /nfs/dbraw/zinc/43/75/27/1078437527.db2.gz MUQHDFWPOIGYFE-NVXWUHKLSA-N 1 0 401.457 2.954 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Br)cnc3Br)C2)C1 ZINC001129404996 1078455310 /nfs/dbraw/zinc/45/53/10/1078455310.db2.gz QQQDGEWEIZJCDP-CQSZACIVSA-N 1 0 403.118 2.774 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420304 1078469378 /nfs/dbraw/zinc/46/93/78/1078469378.db2.gz GSBDNXGQVNXNSK-UKRRQHHQSA-N 1 0 401.429 2.753 20 0 HFADRO CC(=O)c1ccc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(S(N)(=O)=O)c1 ZINC000804425980 1078472644 /nfs/dbraw/zinc/47/26/44/1078472644.db2.gz YASYGGWSUCVUKO-UHFFFAOYSA-N 1 0 415.559 2.885 20 0 HFADRO CC[C@@H](Sc1nc(CC(=O)N(CC(C)C)C2CC[NH+](C)CC2)cs1)C(N)=O ZINC001129459361 1078486233 /nfs/dbraw/zinc/48/62/33/1078486233.db2.gz IXESHWOBEDTMRL-MRXNPFEDSA-N 1 0 412.625 2.620 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001170449908 1078487334 /nfs/dbraw/zinc/48/73/34/1078487334.db2.gz PNJKOYCLJKROIJ-SLFFLAALSA-N 1 0 406.482 2.853 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000804656975 1078491195 /nfs/dbraw/zinc/49/11/95/1078491195.db2.gz LBKFDXBVGUEOBT-QTJNJRLBSA-N 1 0 403.523 2.720 20 0 HFADRO Cc1oc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1CN1C(=O)c2ccccc2C1=O ZINC001129809891 1078507939 /nfs/dbraw/zinc/50/79/39/1078507939.db2.gz OJAOYYJSDGGIFY-UHFFFAOYSA-N 1 0 409.486 2.988 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001129813820 1078511809 /nfs/dbraw/zinc/51/18/09/1078511809.db2.gz VWFFESXLVZREFK-TZIWHRDSSA-N 1 0 407.518 2.613 20 0 HFADRO CN1CCc2cc(C(=O)N3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)ccc21 ZINC000804447114 1078512772 /nfs/dbraw/zinc/51/27/72/1078512772.db2.gz WYXIICYXZLIXNC-QHCPKHFHSA-N 1 0 404.558 2.711 20 0 HFADRO CN1CCc2cc(C(=O)N3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)ccc21 ZINC000804447113 1078512817 /nfs/dbraw/zinc/51/28/17/1078512817.db2.gz WYXIICYXZLIXNC-HSZRJFAPSA-N 1 0 404.558 2.711 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447347 1078513704 /nfs/dbraw/zinc/51/37/04/1078513704.db2.gz CUJBMVRTIYLAIP-HXUWFJFHSA-N 1 0 423.561 2.646 20 0 HFADRO CC(=O)c1ccc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804684208 1078524581 /nfs/dbraw/zinc/52/45/81/1078524581.db2.gz WGTPAXCZODBNKW-NRFANRHFSA-N 1 0 401.532 2.861 20 0 HFADRO CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n([C@@H](CC)Cc2ccc3c(c2)OCO3)n1 ZINC001170454651 1078542294 /nfs/dbraw/zinc/54/22/94/1078542294.db2.gz CITJQNHVLOPJKS-HOTGVXAUSA-N 1 0 400.479 2.844 20 0 HFADRO COC(=O)N1CCC(CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000804685439 1078544889 /nfs/dbraw/zinc/54/48/89/1078544889.db2.gz IUYBWUWMVDTKBR-SFHVURJKSA-N 1 0 401.551 2.924 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000804524018 1078563475 /nfs/dbraw/zinc/56/34/75/1078563475.db2.gz HJRCYPAADCRIRB-IKGGRYGDSA-N 1 0 417.554 2.833 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3cc(Cl)ccn3n2)[C@@H](c2cnn(C)c2)C1 ZINC001129566464 1078560346 /nfs/dbraw/zinc/56/03/46/1078560346.db2.gz GUTFJTDFSGRVQE-JKSUJKDBSA-N 1 0 401.902 2.569 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000804524865 1078564332 /nfs/dbraw/zinc/56/43/32/1078564332.db2.gz XISAPYIDIOIHBJ-DWBSNAHUSA-N 1 0 419.566 2.534 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000804524728 1078564378 /nfs/dbraw/zinc/56/43/78/1078564378.db2.gz VEKRXOLXTFGANG-NVXWUHKLSA-N 1 0 415.563 2.718 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000804524863 1078564447 /nfs/dbraw/zinc/56/44/47/1078564447.db2.gz XISAPYIDIOIHBJ-BDZKXGRMSA-N 1 0 419.566 2.534 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000804526451 1078564672 /nfs/dbraw/zinc/56/46/72/1078564672.db2.gz RMWQCLQENSMCSJ-PCPJIXQOSA-N 1 0 404.514 2.938 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2ncc(I)n2c1 ZINC000804526702 1078565823 /nfs/dbraw/zinc/56/58/23/1078565823.db2.gz SNYFMEWYIGMFBB-OCCSQVGLSA-N 1 0 424.286 2.638 20 0 HFADRO O=C(CCNC(=O)OCC(F)(F)F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804533289 1078570063 /nfs/dbraw/zinc/57/00/63/1078570063.db2.gz BRMAOXGEZYUXCK-LJQANCHMSA-N 1 0 413.440 2.790 20 0 HFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129904195 1078576561 /nfs/dbraw/zinc/57/65/61/1078576561.db2.gz FIAQMARHYYDUCP-HXUWFJFHSA-N 1 0 418.582 2.566 20 0 HFADRO Cn1ncc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1Br ZINC000804534267 1078570786 /nfs/dbraw/zinc/57/07/86/1078570786.db2.gz FUFPUMHLICQDMO-IBGZPJMESA-N 1 0 403.324 2.921 20 0 HFADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001129599592 1078573859 /nfs/dbraw/zinc/57/38/59/1078573859.db2.gz NRFKBWHOCQIWLU-BWKNWUBXSA-N 1 0 405.542 2.863 20 0 HFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)C1 ZINC001129906030 1078577991 /nfs/dbraw/zinc/57/79/91/1078577991.db2.gz VFBMMLPCCQCJTC-ZIFCJYIRSA-N 1 0 407.580 2.519 20 0 HFADRO Cc1cc(N2C[C@@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2=O)ccc1Br ZINC001129906041 1078578431 /nfs/dbraw/zinc/57/84/31/1078578431.db2.gz VJUOMIODOIVAGC-HOCLYGCPSA-N 1 0 408.340 2.663 20 0 HFADRO COc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)nc1I ZINC001129914188 1078583150 /nfs/dbraw/zinc/58/31/50/1078583150.db2.gz NWVFDGQNQXSOQS-UHFFFAOYSA-N 1 0 417.291 2.641 20 0 HFADRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1S(C)(=O)=O ZINC001129899375 1078593817 /nfs/dbraw/zinc/59/38/17/1078593817.db2.gz QFQJWQTXPZSHEB-UHFFFAOYSA-N 1 0 402.516 2.949 20 0 HFADRO COC(=O)c1cnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1C(F)(F)F ZINC000804562415 1078596691 /nfs/dbraw/zinc/59/66/91/1078596691.db2.gz IAIWVMMGCDSSOZ-UHFFFAOYSA-N 1 0 414.472 2.882 20 0 HFADRO CC(C)(C)n1ncc2c1ncnc2N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804807092 1078636947 /nfs/dbraw/zinc/63/69/47/1078636947.db2.gz ATRWXGGYBWPXBF-FQEVSTJZSA-N 1 0 419.577 2.978 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000804828791 1078667170 /nfs/dbraw/zinc/66/71/70/1078667170.db2.gz ANCDTOSPDUIQBK-DENIHFKCSA-N 1 0 422.573 2.786 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2c(Cl)nccc2C(F)(F)F)CC1 ZINC000804626856 1078680065 /nfs/dbraw/zinc/68/00/65/1078680065.db2.gz UGFXGEMIKUOWJH-UHFFFAOYSA-N 1 0 423.863 2.953 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000804864700 1078689656 /nfs/dbraw/zinc/68/96/56/1078689656.db2.gz NUPFXNYNVRYIAI-IBGZPJMESA-N 1 0 413.440 2.919 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000804870243 1078693334 /nfs/dbraw/zinc/69/33/34/1078693334.db2.gz VDYXUJCDIOQFGE-OAHLLOKOSA-N 1 0 405.417 2.723 20 0 HFADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643904 1078698786 /nfs/dbraw/zinc/69/87/86/1078698786.db2.gz SPRNFSJDDCTOJL-QFBILLFUSA-N 1 0 414.937 2.563 20 0 HFADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000804643933 1078698844 /nfs/dbraw/zinc/69/88/44/1078698844.db2.gz UASUUXQWIHFKJS-GHTZIAJQSA-N 1 0 411.521 2.996 20 0 HFADRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cnn1C(C)(C)C ZINC001129741076 1078711457 /nfs/dbraw/zinc/71/14/57/1078711457.db2.gz UKVLQAMQRFNRTI-UHFFFAOYSA-N 1 0 411.550 2.574 20 0 HFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)Cn1cc(C2CC2)nn1 ZINC001129975608 1078719068 /nfs/dbraw/zinc/71/90/68/1078719068.db2.gz CGPPEXJABPJNMQ-UHFFFAOYSA-N 1 0 421.343 2.555 20 0 HFADRO COCc1nocc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001129976143 1078719887 /nfs/dbraw/zinc/71/98/87/1078719887.db2.gz VRERHPDWXQTUTM-UHFFFAOYSA-N 1 0 411.300 2.834 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000804935175 1078760630 /nfs/dbraw/zinc/76/06/30/1078760630.db2.gz MRBKDHMEQIOCGF-NRFANRHFSA-N 1 0 416.566 2.714 20 0 HFADRO Cc1nc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Br)n1C ZINC000804951846 1078778918 /nfs/dbraw/zinc/77/89/18/1078778918.db2.gz BPZOJEXLTWKHMA-CHWSQXEVSA-N 1 0 421.405 2.527 20 0 HFADRO CC[C@@H]1CC([NH2+]CCC(=O)N2CCN(C)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170471710 1078781526 /nfs/dbraw/zinc/78/15/26/1078781526.db2.gz UQMMIXXZGFICDX-RTBURBONSA-N 1 0 410.603 2.697 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000804926708 1078782304 /nfs/dbraw/zinc/78/23/04/1078782304.db2.gz OJLRHKSLAMKCRX-LPHOPBHVSA-N 1 0 417.554 2.743 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC)c2)[C@@H](C)C1 ZINC000805124516 1078923057 /nfs/dbraw/zinc/92/30/57/1078923057.db2.gz OTISDUVQQUIHQK-QFBILLFUSA-N 1 0 406.527 2.801 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000805132921 1078930468 /nfs/dbraw/zinc/93/04/68/1078930468.db2.gz VFQHHVAADQAELH-CVDCTZTESA-N 1 0 415.578 2.951 20 0 HFADRO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000805131206 1078930538 /nfs/dbraw/zinc/93/05/38/1078930538.db2.gz GLOBVWHVEXAXQA-KSSFIOAISA-N 1 0 415.456 2.539 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000805136785 1078933651 /nfs/dbraw/zinc/93/36/51/1078933651.db2.gz JCOCNIDXRVUJIA-PGRDOPGGSA-N 1 0 406.571 2.903 20 0 HFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001130098137 1078948460 /nfs/dbraw/zinc/94/84/60/1078948460.db2.gz LCMOSVPGFLKXSK-CQSZACIVSA-N 1 0 424.286 2.643 20 0 HFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 ZINC000805180532 1078964948 /nfs/dbraw/zinc/96/49/48/1078964948.db2.gz KUIRLNKUINSJTO-CVDCTZTESA-N 1 0 416.610 2.724 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805199144 1078971391 /nfs/dbraw/zinc/97/13/91/1078971391.db2.gz XIMDYDHHLAJRFG-HSZRJFAPSA-N 1 0 412.534 2.511 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000805197336 1078971412 /nfs/dbraw/zinc/97/14/12/1078971412.db2.gz CISHWHARGGJYCJ-VWLOTQADSA-N 1 0 423.557 2.701 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000747234286 1078990181 /nfs/dbraw/zinc/99/01/81/1078990181.db2.gz NZPLMMUTFDAMBX-HZPDHXFCSA-N 1 0 400.500 2.779 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000805296007 1078992974 /nfs/dbraw/zinc/99/29/74/1078992974.db2.gz SVHWQPZOLQFWOQ-HXUWFJFHSA-N 1 0 404.555 2.921 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000805282439 1079008763 /nfs/dbraw/zinc/00/87/63/1079008763.db2.gz NZMSAUBQUSQKJT-WOJBJXKFSA-N 1 0 402.539 2.763 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000805278865 1079005996 /nfs/dbraw/zinc/00/59/96/1079005996.db2.gz BPJNHJXGRIMHGB-QHCPKHFHSA-N 1 0 414.550 2.567 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000805331252 1079021692 /nfs/dbraw/zinc/02/16/92/1079021692.db2.gz IPVCCXGGPIAWIA-CZUORRHYSA-N 1 0 405.955 2.972 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000805332003 1079022041 /nfs/dbraw/zinc/02/20/41/1079022041.db2.gz LHSMTZNIULRONR-MBPVOVBZSA-N 1 0 422.529 2.664 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000805331530 1079022343 /nfs/dbraw/zinc/02/23/43/1079022343.db2.gz OEUFPFJZZPFVHS-BDZKXGRMSA-N 1 0 419.566 2.534 20 0 HFADRO CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC000805312754 1079032886 /nfs/dbraw/zinc/03/28/86/1079032886.db2.gz WHJDZPFCIVITMW-QZTJIDSGSA-N 1 0 408.543 3.000 20 0 HFADRO CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC000805312756 1079033063 /nfs/dbraw/zinc/03/30/63/1079033063.db2.gz WHJDZPFCIVITMW-ZWKOTPCHSA-N 1 0 408.543 3.000 20 0 HFADRO Cc1cccc(-n2c(=O)c3ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc3[nH]c2=S)c1C ZINC000805425912 1079058319 /nfs/dbraw/zinc/05/83/19/1079058319.db2.gz FEVKMBDCFVOAAH-AWEZNQCLSA-N 1 0 410.543 2.971 20 0 HFADRO COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000805572045 1079143504 /nfs/dbraw/zinc/14/35/04/1079143504.db2.gz VXTYITFWNCWZAD-GOEBONIOSA-N 1 0 411.445 2.844 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1F ZINC000747253484 1079153980 /nfs/dbraw/zinc/15/39/80/1079153980.db2.gz LBXJDTDPIBOXFM-GDBMZVCRSA-N 1 0 406.479 2.726 20 0 HFADRO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301329 1079193129 /nfs/dbraw/zinc/19/31/29/1079193129.db2.gz LJRHLYYSZOIXQR-VQTJNVASSA-N 1 0 419.591 2.963 20 0 HFADRO CN(CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Br)s1 ZINC001130301346 1079193276 /nfs/dbraw/zinc/19/32/76/1079193276.db2.gz LRKPJWZIDOUWME-OLZOCXBDSA-N 1 0 414.369 2.716 20 0 HFADRO COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC001130301389 1079193337 /nfs/dbraw/zinc/19/33/37/1079193337.db2.gz MTUQTOGQYFITCI-HYVNUMGLSA-N 1 0 405.926 2.835 20 0 HFADRO CSCC[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1C(=O)c2ccccc2C1=O ZINC001130301503 1079193860 /nfs/dbraw/zinc/19/38/60/1079193860.db2.gz POYXBPAJVWOLIC-CEXWTWQISA-N 1 0 415.559 2.537 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)cc1 ZINC000747263270 1079227930 /nfs/dbraw/zinc/22/79/30/1079227930.db2.gz WKAVXDXMBJNFPE-RAXLEYEMSA-N 1 0 416.543 2.934 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793410 1079258357 /nfs/dbraw/zinc/25/83/57/1079258357.db2.gz YSUBZTKGJFNZLP-UXHICEINSA-N 1 0 417.550 2.901 20 0 HFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000747268198 1079259111 /nfs/dbraw/zinc/25/91/11/1079259111.db2.gz BINHJISXZYKFGC-MRXNPFEDSA-N 1 0 406.470 2.936 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000805832358 1079271998 /nfs/dbraw/zinc/27/19/98/1079271998.db2.gz WACBOKHVOPSNOO-AEFFLSMTSA-N 1 0 408.568 2.909 20 0 HFADRO C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001130393003 1079273742 /nfs/dbraw/zinc/27/37/42/1079273742.db2.gz DICQHXJZOFVJIZ-MHECFPHRSA-N 1 0 407.514 2.971 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000805765671 1079266092 /nfs/dbraw/zinc/26/60/92/1079266092.db2.gz OBYXJONASRLXGY-OTWHNJEPSA-N 1 0 409.571 2.926 20 0 HFADRO Cc1c(Br)cccc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000747269767 1079274812 /nfs/dbraw/zinc/27/48/12/1079274812.db2.gz IWNBNIQJMZLNLT-HNNXBMFYSA-N 1 0 417.369 2.679 20 0 HFADRO COC(=O)[C@@H](C)c1ccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)nc1 ZINC001170489735 1079295666 /nfs/dbraw/zinc/29/56/66/1079295666.db2.gz MXXSGHREWIHWHN-KNXWPPODSA-N 1 0 410.518 2.730 20 0 HFADRO COC(=O)Nc1ccc(CNC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805822703 1079293212 /nfs/dbraw/zinc/29/32/12/1079293212.db2.gz VZCIURBLNOCVME-GOSISDBHSA-N 1 0 405.882 2.848 20 0 HFADRO Ic1cccc(C[C@@H]2CC[N@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)C2)c1 ZINC001170489531 1079293291 /nfs/dbraw/zinc/29/32/91/1079293291.db2.gz FVUFEZHDENDPFV-CIRFHOKZSA-N 1 0 413.299 2.960 20 0 HFADRO Ic1cccc(C[C@@H]2CC[N@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)c1 ZINC001170489533 1079293372 /nfs/dbraw/zinc/29/33/72/1079293372.db2.gz FVUFEZHDENDPFV-MVJTYMMSSA-N 1 0 413.299 2.960 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3[nH]c4coc(=O)c-4cc3Cl)cc2)CC1 ZINC001170489696 1079294606 /nfs/dbraw/zinc/29/46/06/1079294606.db2.gz LWPRAXTWSVTYDH-IYXRBSQSSA-N 1 0 414.893 2.777 20 0 HFADRO C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170490497 1079317635 /nfs/dbraw/zinc/31/76/35/1079317635.db2.gz MWXWOIWDYFCEDS-RDJZCZTQSA-N 1 0 414.331 2.876 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1Cl ZINC000747276186 1079340029 /nfs/dbraw/zinc/34/00/29/1079340029.db2.gz DIRVGTBQEUQRGC-QWRGUYRKSA-N 1 0 409.335 2.883 20 0 HFADRO Cc1nc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)ncc1Br ZINC001170493469 1079348913 /nfs/dbraw/zinc/34/89/13/1079348913.db2.gz QFNQEKZMLVIFHQ-LRVUVFPRSA-N 1 0 418.339 2.919 20 0 HFADRO CC(C)(C)OC(=O)N1C[C@@H](OC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000805947099 1079348289 /nfs/dbraw/zinc/34/82/89/1079348289.db2.gz GYTBHAWOVYQZLE-SFHVURJKSA-N 1 0 402.491 2.978 20 0 HFADRO COC(=O)c1cc2nc[nH]c2c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1 ZINC001170492810 1079361115 /nfs/dbraw/zinc/36/11/15/1079361115.db2.gz DCQUXBVEVMHTIT-QQFBHYJXSA-N 1 0 421.501 2.721 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cccc(N4CCNC4=O)c3)cc2)CC1 ZINC001170492855 1079361391 /nfs/dbraw/zinc/36/13/91/1079361391.db2.gz FESKDOVNWKKLCN-WWDZGPRUSA-N 1 0 407.518 2.588 20 0 HFADRO C[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001130458274 1079381786 /nfs/dbraw/zinc/38/17/86/1079381786.db2.gz KBRKYVWBKXSASK-HSALFYBXSA-N 1 0 421.607 2.702 20 0 HFADRO CC[C@@H]1CC(N([C@H]2CCC[NH2+]C2)S(C)(=O)=O)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170495860 1079391342 /nfs/dbraw/zinc/39/13/42/1079391342.db2.gz DJMPSGXFCNKTSI-ZACQAIPSSA-N 1 0 417.616 2.957 20 0 HFADRO C[N@H+](CCCO)C1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000772846214 1079432801 /nfs/dbraw/zinc/43/28/01/1079432801.db2.gz NSNHIHWBXNLGBK-UHFFFAOYSA-N 1 0 405.539 2.881 20 0 HFADRO COc1ccc2c(c1)oc(C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c2-c1ccccc1 ZINC001130496547 1079433574 /nfs/dbraw/zinc/43/35/74/1079433574.db2.gz FIEYDNBQHJGJKH-UHFFFAOYSA-N 1 0 421.497 2.954 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1=O ZINC001130496335 1079433594 /nfs/dbraw/zinc/43/35/94/1079433594.db2.gz BCCUHTSAKNAVRP-UHFFFAOYSA-N 1 0 415.921 2.765 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1=O ZINC001130497552 1079434285 /nfs/dbraw/zinc/43/42/85/1079434285.db2.gz UYFLURWZBZDEJG-UHFFFAOYSA-N 1 0 414.120 2.541 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 ZINC000806119704 1079447476 /nfs/dbraw/zinc/44/74/76/1079447476.db2.gz BGJFASUIJOKTCZ-HNNXBMFYSA-N 1 0 410.458 2.508 20 0 HFADRO Cc1ccc(C(=O)NCCC[N@@H+](C)CC(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC001130523692 1079459119 /nfs/dbraw/zinc/45/91/19/1079459119.db2.gz JBYOOWCUSRBJHF-UHFFFAOYSA-N 1 0 409.596 2.924 20 0 HFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCO[C@H](C(=O)C3CC3)C2)CC1 ZINC000806145031 1079466262 /nfs/dbraw/zinc/46/62/62/1079466262.db2.gz BAVVFKRYICTOHN-IBGZPJMESA-N 1 0 420.941 2.694 20 0 HFADRO Clc1ccc2c(n1)CC[C@H]2[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000806147600 1079467513 /nfs/dbraw/zinc/46/75/13/1079467513.db2.gz YVXXXXIOMBKUFK-NVXWUHKLSA-N 1 0 414.941 2.608 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000806169064 1079475885 /nfs/dbraw/zinc/47/58/85/1079475885.db2.gz APUWAXYFXJSILS-SFHVURJKSA-N 1 0 417.554 2.913 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806183926 1079477480 /nfs/dbraw/zinc/47/74/80/1079477480.db2.gz ZFQBUZOEHIWCHK-ZIFCJYIRSA-N 1 0 423.579 2.685 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000806247017 1079500168 /nfs/dbraw/zinc/50/01/68/1079500168.db2.gz FINCBZPDMFPBKC-UHFFFAOYSA-N 1 0 411.568 2.840 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335843 1076746622 /nfs/dbraw/zinc/74/66/22/1076746622.db2.gz VWOARKMIXJMFFG-BZSNNMDCSA-N 1 0 424.586 2.669 20 0 HFADRO COC(=O)/C=C1\SCC(=O)N1CCCN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000746675369 1076748465 /nfs/dbraw/zinc/74/84/65/1076748465.db2.gz CKAMPINEKUGGSC-AFDUHFSSSA-N 1 0 417.575 2.563 20 0 HFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000746676226 1076750867 /nfs/dbraw/zinc/75/08/67/1076750867.db2.gz IGSXRFKQLVVJAJ-PGRDOPGGSA-N 1 0 402.560 2.720 20 0 HFADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000787310494 1076757655 /nfs/dbraw/zinc/75/76/55/1076757655.db2.gz YDYMEPMEEHCUEL-CBGDNZLLSA-N 1 0 418.563 2.529 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000787319367 1076762646 /nfs/dbraw/zinc/76/26/46/1076762646.db2.gz QWPDMZYOFMSMNS-UHFFFAOYSA-N 1 0 402.489 2.758 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322278 1076765863 /nfs/dbraw/zinc/76/58/63/1076765863.db2.gz CZESIGJXWQVRAU-KSZLIROESA-N 1 0 424.586 2.717 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000787323198 1076766809 /nfs/dbraw/zinc/76/68/09/1076766809.db2.gz ARYNJTNROFFFOW-ZIFCJYIRSA-N 1 0 424.586 2.527 20 0 HFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787370710 1076777625 /nfs/dbraw/zinc/77/76/25/1076777625.db2.gz CJUJZJBGVPGZPY-HOTGVXAUSA-N 1 0 405.543 2.548 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347027 1076788401 /nfs/dbraw/zinc/78/84/01/1076788401.db2.gz RYPRBDSIJFBROL-JKSUJKDBSA-N 1 0 405.543 2.738 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000787445665 1076814225 /nfs/dbraw/zinc/81/42/25/1076814225.db2.gz DLDAUUFXYYGVRE-UHFFFAOYSA-N 1 0 403.918 2.557 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)CC[C@H]21 ZINC000787447614 1076814992 /nfs/dbraw/zinc/81/49/92/1076814992.db2.gz WPCPJAITYDXUPB-GPMSIDNRSA-N 1 0 417.554 2.690 20 0 HFADRO O=C(Nc1ccc(-c2ccco2)cc1F)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787501718 1076827576 /nfs/dbraw/zinc/82/75/76/1076827576.db2.gz NAEPIIGDKOFULW-KRWDZBQOSA-N 1 0 415.465 2.784 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000787524562 1076847304 /nfs/dbraw/zinc/84/73/04/1076847304.db2.gz KTXFLWBBBCZYAD-UHFFFAOYSA-N 1 0 415.987 2.928 20 0 HFADRO COc1cccc2c(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)ccnc12 ZINC001170075250 1076870061 /nfs/dbraw/zinc/87/00/61/1076870061.db2.gz RKUAQUALDCJXKB-UHFFFAOYSA-N 1 0 408.483 2.946 20 0 HFADRO CN1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2Br)CC1 ZINC000787577584 1076870603 /nfs/dbraw/zinc/87/06/03/1076870603.db2.gz XJYXLZOCVQIYGL-SFHVURJKSA-N 1 0 407.356 2.766 20 0 HFADRO CC(C)COc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)ccn1 ZINC001170075300 1076871675 /nfs/dbraw/zinc/87/16/75/1076871675.db2.gz SLYRRYGFEWJANL-UHFFFAOYSA-N 1 0 400.504 2.819 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1ccc([C@H](C)O)cc1)c1ccsc1 ZINC000787615253 1076879220 /nfs/dbraw/zinc/87/92/20/1076879220.db2.gz IEXMSQBDNLVKAZ-HNAYVOBHSA-N 1 0 403.548 2.617 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)CCC2 ZINC000787615518 1076879830 /nfs/dbraw/zinc/87/98/30/1076879830.db2.gz IMTVBRQQSBZHCE-MSOLQXFVSA-N 1 0 406.596 2.818 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)CCC2 ZINC000787615522 1076879881 /nfs/dbraw/zinc/87/98/81/1076879881.db2.gz IMTVBRQQSBZHCE-QZTJIDSGSA-N 1 0 406.596 2.818 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)on1)c1ccsc1 ZINC000787618786 1076881003 /nfs/dbraw/zinc/88/10/03/1076881003.db2.gz YXVATGKYAGGYRK-QZTJIDSGSA-N 1 0 404.536 2.907 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)Cc1ccccc1 ZINC000787624228 1076882537 /nfs/dbraw/zinc/88/25/37/1076882537.db2.gz DEGZYCYCZHCEKC-LJQANCHMSA-N 1 0 416.953 2.763 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)N(C)CCc1ccccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000787631217 1076883857 /nfs/dbraw/zinc/88/38/57/1076883857.db2.gz IYGITOZJORTJMD-NRFANRHFSA-N 1 0 411.521 2.780 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)C[C@H]2C1 ZINC000787633414 1076885017 /nfs/dbraw/zinc/88/50/17/1076885017.db2.gz JGTFOFSFRMJPPF-RSOFREPLSA-N 1 0 401.938 2.754 20 0 HFADRO COC(=O)c1c(C)cc(F)cc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170075379 1076886026 /nfs/dbraw/zinc/88/60/26/1076886026.db2.gz VLBGDSWQSWXXKM-UHFFFAOYSA-N 1 0 417.462 2.623 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)N(C)c1ccccc1 ZINC000787636871 1076891200 /nfs/dbraw/zinc/89/12/00/1076891200.db2.gz JAGHBBJILDBVRP-JSOIOWGOSA-N 1 0 400.567 2.541 20 0 HFADRO C[C@H](NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000787663648 1076903546 /nfs/dbraw/zinc/90/35/46/1076903546.db2.gz ITBAOFHJMIAACE-AWEZNQCLSA-N 1 0 401.429 2.611 20 0 HFADRO CC(C)c1ccc(N2CC[C@@H](C(=O)N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)C2=O)cc1 ZINC000787673346 1076906611 /nfs/dbraw/zinc/90/66/11/1076906611.db2.gz QLBAUVDYJNNPLY-AVRDEDQJSA-N 1 0 413.562 2.875 20 0 HFADRO CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000787685898 1076910936 /nfs/dbraw/zinc/91/09/36/1076910936.db2.gz CWPAMCWYTBIYCZ-UHFFFAOYSA-N 1 0 411.550 2.602 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000787687085 1076911518 /nfs/dbraw/zinc/91/15/18/1076911518.db2.gz VFUBGUGWCATGJZ-VGOFRKELSA-N 1 0 409.571 2.735 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)C1CCCCC1 ZINC000787686781 1076911880 /nfs/dbraw/zinc/91/18/80/1076911880.db2.gz GOXLABJCPVUPCI-MOPGFXCFSA-N 1 0 421.607 2.933 20 0 HFADRO Cc1ccccc1C[NH+]1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787690630 1076913864 /nfs/dbraw/zinc/91/38/64/1076913864.db2.gz YKDZEVOVPGDIFX-REWPJTCUSA-N 1 0 403.567 2.873 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000787710647 1076922270 /nfs/dbraw/zinc/92/22/70/1076922270.db2.gz MUVOAMUHJZPLGW-LAUBAEHRSA-N 1 0 423.579 2.703 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000787752145 1076927062 /nfs/dbraw/zinc/92/70/62/1076927062.db2.gz SDGINFYZYIJXTK-UGKGYDQZSA-N 1 0 409.530 2.832 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)CCN1C(=O)OC(C)(C)C ZINC000787759414 1076929106 /nfs/dbraw/zinc/92/91/06/1076929106.db2.gz GELYJUGJHUJMHC-IKGGRYGDSA-N 1 0 412.527 2.593 20 0 HFADRO CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000787759427 1076929297 /nfs/dbraw/zinc/92/92/97/1076929297.db2.gz GHSDAXMEAFVFHF-CGTJXYLNSA-N 1 0 413.559 2.904 20 0 HFADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000787761247 1076929966 /nfs/dbraw/zinc/92/99/66/1076929966.db2.gz SBLQIJCNWWZUFA-NHCUHLMSSA-N 1 0 411.933 2.877 20 0 HFADRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000787764100 1076930914 /nfs/dbraw/zinc/93/09/14/1076930914.db2.gz YHXBDNLQOIVZIG-CYBMUJFWSA-N 1 0 402.296 2.678 20 0 HFADRO CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787729511 1076932952 /nfs/dbraw/zinc/93/29/52/1076932952.db2.gz INMOTJJYPWOOLW-IIBYNOLFSA-N 1 0 413.559 2.736 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787734667 1076935244 /nfs/dbraw/zinc/93/52/44/1076935244.db2.gz COXVLEQGOVHQDU-KNQAVFIVSA-N 1 0 409.530 2.914 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000787740960 1076937735 /nfs/dbraw/zinc/93/77/35/1076937735.db2.gz XQLFOYVJYTWTFA-AVRDEDQJSA-N 1 0 409.530 2.700 20 0 HFADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000787741088 1076937765 /nfs/dbraw/zinc/93/77/65/1076937765.db2.gz YHECINSMPVZSPQ-VXKWHMMOSA-N 1 0 421.541 2.840 20 0 HFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787742153 1076938003 /nfs/dbraw/zinc/93/80/03/1076938003.db2.gz ZJTWEXIYTSGCKI-FGZHOGPDSA-N 1 0 421.545 2.622 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000787768846 1076941650 /nfs/dbraw/zinc/94/16/50/1076941650.db2.gz YHPFUVXMHGGZKC-UHFFFAOYSA-N 1 0 401.548 2.706 20 0 HFADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000787768549 1076941668 /nfs/dbraw/zinc/94/16/68/1076941668.db2.gz ZGXZOWXYZADSNC-UIAACRFSSA-N 1 0 421.538 2.932 20 0 HFADRO Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000787771470 1076942017 /nfs/dbraw/zinc/94/20/17/1076942017.db2.gz PXBGYEIHKCDIPF-UHFFFAOYSA-N 1 0 411.535 2.644 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 ZINC000787772136 1076942181 /nfs/dbraw/zinc/94/21/81/1076942181.db2.gz YGBLVKUERDCXOJ-AVRDEDQJSA-N 1 0 409.571 2.737 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(OCc2ccccn2)c1)[NH+]1CCCCC1 ZINC000787869810 1076967628 /nfs/dbraw/zinc/96/76/28/1076967628.db2.gz DHKAERZRYOAOMY-RTBURBONSA-N 1 0 424.545 2.828 20 0 HFADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(C)cnc2Cl)[NH+]2CCCC2)c1 ZINC000787874533 1076970243 /nfs/dbraw/zinc/97/02/43/1076970243.db2.gz RKUKOPKSNUKCSJ-GOSISDBHSA-N 1 0 416.909 2.944 20 0 HFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787877828 1076973753 /nfs/dbraw/zinc/97/37/53/1076973753.db2.gz DIBVBBUUXOPEES-CVEARBPZSA-N 1 0 405.543 2.737 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000787883583 1076975904 /nfs/dbraw/zinc/97/59/04/1076975904.db2.gz ZLBWEBQQPIZCEK-MRXNPFEDSA-N 1 0 422.529 2.863 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2Cl)cc1 ZINC000787887768 1076978831 /nfs/dbraw/zinc/97/88/31/1076978831.db2.gz YUOUFRZREXYXNJ-IBGZPJMESA-N 1 0 403.910 2.970 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000787892324 1076980573 /nfs/dbraw/zinc/98/05/73/1076980573.db2.gz XCRHHYUKMFPBMF-FGTMMUONSA-N 1 0 407.605 2.963 20 0 HFADRO CCc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000787904196 1076988665 /nfs/dbraw/zinc/98/86/65/1076988665.db2.gz PSBXNOZHDBZVTD-FQEVSTJZSA-N 1 0 414.594 2.668 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)CCC2 ZINC000787916669 1076994211 /nfs/dbraw/zinc/99/42/11/1076994211.db2.gz YIRGTSUOOCGTJR-IIDMSEBBSA-N 1 0 406.596 2.819 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000787950039 1077006281 /nfs/dbraw/zinc/00/62/81/1077006281.db2.gz DTBKCYPUDHLPKG-CBQOVEMMSA-N 1 0 409.530 2.840 20 0 HFADRO C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000787962451 1077010299 /nfs/dbraw/zinc/01/02/99/1077010299.db2.gz PAVOOHREDLPLOU-YADARESESA-N 1 0 409.530 2.842 20 0 HFADRO COc1ccccc1NC(=O)Cc1nc(COC(=O)[C@@H](C(C)C)[NH+](C)C)cs1 ZINC000787964661 1077010725 /nfs/dbraw/zinc/01/07/25/1077010725.db2.gz BKARWCPHMKICCT-LJQANCHMSA-N 1 0 405.520 2.962 20 0 HFADRO CC1(C(=O)OCCCn2cnc3c2ncnc3N)CC[NH+](Cc2ccccc2)CC1 ZINC000772709818 1077013370 /nfs/dbraw/zinc/01/33/70/1077013370.db2.gz HTVPTQCNFZKESH-UHFFFAOYSA-N 1 0 408.506 2.644 20 0 HFADRO COCc1ccc(NC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)cc1 ZINC000788006502 1077026689 /nfs/dbraw/zinc/02/66/89/1077026689.db2.gz AOUIUEJBSLNFBN-LEWJYISDSA-N 1 0 408.502 2.553 20 0 HFADRO C[NH+](C)CCOCCNC(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000788012938 1077028626 /nfs/dbraw/zinc/02/86/26/1077028626.db2.gz FLSHBSAPWXNCPW-XMMPIXPASA-N 1 0 411.546 2.610 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)C1 ZINC000746725242 1077047504 /nfs/dbraw/zinc/04/75/04/1077047504.db2.gz OKSOKMZRGZREHN-GOSISDBHSA-N 1 0 416.522 2.613 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@@H]3CCCN(Cc4ncccn4)C3)cc2)CC1 ZINC000788064479 1077047732 /nfs/dbraw/zinc/04/77/32/1077047732.db2.gz FTXGURDSJGGWHV-JOCHJYFZSA-N 1 0 423.561 2.828 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)C1 ZINC000746726754 1077052788 /nfs/dbraw/zinc/05/27/88/1077052788.db2.gz VFWZNOYEDXXJMP-GHTZIAJQSA-N 1 0 404.555 2.876 20 0 HFADRO O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000746727963 1077064371 /nfs/dbraw/zinc/06/43/71/1077064371.db2.gz JEMQOGXEPBIRAZ-HNNXBMFYSA-N 1 0 401.429 2.937 20 0 HFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788243762 1077085419 /nfs/dbraw/zinc/08/54/19/1077085419.db2.gz JWZYUYJQJXCTPU-IAGOWNOFSA-N 1 0 403.589 2.616 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000788250887 1077086654 /nfs/dbraw/zinc/08/66/54/1077086654.db2.gz XRHXZQQZCQIGOE-BPQIPLTHSA-N 1 0 422.522 2.971 20 0 HFADRO C[NH+](C)CCOC1CCN(C(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000788298476 1077091139 /nfs/dbraw/zinc/09/11/39/1077091139.db2.gz KZCSUNZHPZJLNV-UHFFFAOYSA-N 1 0 402.358 2.966 20 0 HFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000746740075 1077096410 /nfs/dbraw/zinc/09/64/10/1077096410.db2.gz CLRZWUPJCDLVQA-HNNXBMFYSA-N 1 0 402.461 2.710 20 0 HFADRO C[NH+]1CCN(c2cc(CNC(=O)c3cc(Br)ncc3Cl)ccn2)CC1 ZINC000788282740 1077097235 /nfs/dbraw/zinc/09/72/35/1077097235.db2.gz SDOJUQHUDFVTBZ-UHFFFAOYSA-N 1 0 424.730 2.574 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(Br)n[nH]3)cc2)C[C@@H](C)O1 ZINC000788282564 1077097519 /nfs/dbraw/zinc/09/75/19/1077097519.db2.gz ZNISFZRSIYDHFG-CHWSQXEVSA-N 1 0 407.312 2.711 20 0 HFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000788288959 1077098682 /nfs/dbraw/zinc/09/86/82/1077098682.db2.gz RWPJKGQTMOOZQN-UHFFFAOYSA-N 1 0 424.730 2.574 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000788340308 1077109825 /nfs/dbraw/zinc/10/98/25/1077109825.db2.gz IJOXFWLLGOMWKI-UHFFFAOYSA-N 1 0 404.580 2.513 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000788308117 1077114898 /nfs/dbraw/zinc/11/48/98/1077114898.db2.gz UTHLXCDNWRRITO-LJQANCHMSA-N 1 0 419.570 2.805 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)CC2CCC3(CC2)OCCO3)cc1 ZINC000788364572 1077127858 /nfs/dbraw/zinc/12/78/58/1077127858.db2.gz VXIMLFLIYBQVFS-UHFFFAOYSA-N 1 0 418.534 2.987 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C2CC2)C1 ZINC000788432066 1077144775 /nfs/dbraw/zinc/14/47/75/1077144775.db2.gz WVCZXMTYMBDASP-ICSRJNTNSA-N 1 0 404.555 2.766 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@@H]([C@H]([NH2+]CCc2cn3c(n2)CCCC3)C2CC2)C1 ZINC000788432068 1077144785 /nfs/dbraw/zinc/14/47/85/1077144785.db2.gz WVCZXMTYMBDASP-UYAOXDASSA-N 1 0 404.555 2.766 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000788436459 1077146197 /nfs/dbraw/zinc/14/61/97/1077146197.db2.gz LRTKEFXWHLXBNF-WFNPHZEWSA-N 1 0 400.585 2.949 20 0 HFADRO Cc1ccc(O[C@@H](C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000788411594 1077155355 /nfs/dbraw/zinc/15/53/55/1077155355.db2.gz GDGTZTCTXZLVHG-HDYDNRTBSA-N 1 0 401.551 2.792 20 0 HFADRO C[C@@H]1CN(c2ccc(C[NH2+]C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cn2)CCO1 ZINC000788525007 1077178469 /nfs/dbraw/zinc/17/84/69/1077178469.db2.gz AIGHHLXAXOSKQF-MRXNPFEDSA-N 1 0 402.539 2.796 20 0 HFADRO COc1ccc([C@@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)N2CCOCC2)cc1 ZINC000788502235 1077183337 /nfs/dbraw/zinc/18/33/37/1077183337.db2.gz INJNCAWCUWIXFG-DYESRHJHSA-N 1 0 419.566 2.914 20 0 HFADRO CC[N@H+](CCNC(=O)C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(C)C ZINC000788483986 1077191971 /nfs/dbraw/zinc/19/19/71/1077191971.db2.gz GPXPZMAKONSJNY-VXGBXAGGSA-N 1 0 419.410 2.859 20 0 HFADRO C[C@H]1C[C@H](NC(=O)C(=O)NCCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000788550377 1077197801 /nfs/dbraw/zinc/19/78/01/1077197801.db2.gz YPLRSRJWHMTCKQ-DZGCQCFKSA-N 1 0 403.470 2.525 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000788596363 1077216727 /nfs/dbraw/zinc/21/67/27/1077216727.db2.gz JWAKCZHITFRKOY-UHFFFAOYSA-N 1 0 411.568 2.816 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788594525 1077216776 /nfs/dbraw/zinc/21/67/76/1077216776.db2.gz VWTPBSGEJYUXHA-OXJNMPFZSA-N 1 0 400.560 2.952 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1 ZINC000788601950 1077219903 /nfs/dbraw/zinc/21/99/03/1077219903.db2.gz JTJZDTFDJWFRGJ-IAGOWNOFSA-N 1 0 401.960 2.583 20 0 HFADRO CC(C)(CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000788619766 1077231126 /nfs/dbraw/zinc/23/11/26/1077231126.db2.gz SCZBZBJTSMEQCY-PMACEKPBSA-N 1 0 424.545 2.959 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000790927168 1077235314 /nfs/dbraw/zinc/23/53/14/1077235314.db2.gz SGLLEVUUKFZCMR-OAQYLSRUSA-N 1 0 414.594 2.941 20 0 HFADRO COc1ccc([C@H](O)CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000790926802 1077235527 /nfs/dbraw/zinc/23/55/27/1077235527.db2.gz OUFUEQLBACZAKV-JOCHJYFZSA-N 1 0 413.518 2.701 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000788627503 1077235693 /nfs/dbraw/zinc/23/56/93/1077235693.db2.gz YGQXZMQOQBBOLS-KRWDZBQOSA-N 1 0 411.568 2.674 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000790935750 1077240449 /nfs/dbraw/zinc/24/04/49/1077240449.db2.gz JCVSYCWWZUPQGX-UHFFFAOYSA-N 1 0 423.348 2.997 20 0 HFADRO C[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000788640068 1077243215 /nfs/dbraw/zinc/24/32/15/1077243215.db2.gz BDIURZLCNAUCBE-OVQGTLEDSA-N 1 0 424.545 2.815 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCOc2ccc(F)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788641024 1077243521 /nfs/dbraw/zinc/24/35/21/1077243521.db2.gz VBQLFMNZMFLNDS-SJORKVTESA-N 1 0 414.449 2.874 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788643435 1077245024 /nfs/dbraw/zinc/24/50/24/1077245024.db2.gz LVEAJYDIDSSAEE-ZACQAIPSSA-N 1 0 410.559 2.530 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1Cl ZINC000788677677 1077247402 /nfs/dbraw/zinc/24/74/02/1077247402.db2.gz VYUCHYFMQROOFI-GHMZBOCLSA-N 1 0 408.973 2.895 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788681276 1077248658 /nfs/dbraw/zinc/24/86/58/1077248658.db2.gz GCHJZKBRHCMLDB-OAQYLSRUSA-N 1 0 423.579 2.912 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690174 1077251800 /nfs/dbraw/zinc/25/18/00/1077251800.db2.gz WMCWJRNIVCSCNF-ZRNYENFQSA-N 1 0 417.550 2.963 20 0 HFADRO COc1cccc([C@H](CNC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)[NH+](C)C)c1 ZINC000788692946 1077253055 /nfs/dbraw/zinc/25/30/55/1077253055.db2.gz RPOSDINVCRNUSU-ROUUACIJSA-N 1 0 403.523 2.671 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000788671134 1077262167 /nfs/dbraw/zinc/26/21/67/1077262167.db2.gz YLYQMQQPBSOUES-NRFANRHFSA-N 1 0 423.579 2.770 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)C1CC1 ZINC000788672241 1077262461 /nfs/dbraw/zinc/26/24/61/1077262461.db2.gz PJDYFMRDCLUZJA-KSZLIROESA-N 1 0 415.600 2.568 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc4c(c3)OCC(=O)N4)nc3ccc(C)cc3n12 ZINC001170147294 1077263214 /nfs/dbraw/zinc/26/32/14/1077263214.db2.gz BYBWFCZATRSBAV-UHFFFAOYSA-N 1 0 402.458 2.927 20 0 HFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000790999570 1077264595 /nfs/dbraw/zinc/26/45/95/1077264595.db2.gz ZENVFIKYQNRCQG-MAUKXSAKSA-N 1 0 403.976 2.625 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000746758878 1077270790 /nfs/dbraw/zinc/27/07/90/1077270790.db2.gz ZJHZXELOYRPCJT-YLJYHZDGSA-N 1 0 418.538 2.847 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)CCN1C(=O)OC(C)(C)C ZINC000788754136 1077277232 /nfs/dbraw/zinc/27/72/32/1077277232.db2.gz OTBDBBNLQYPFBR-ROUUACIJSA-N 1 0 406.523 2.945 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000746761088 1077278496 /nfs/dbraw/zinc/27/84/96/1077278496.db2.gz QNXNUFSNVALTJZ-ZWKOTPCHSA-N 1 0 412.575 2.528 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000788762403 1077279604 /nfs/dbraw/zinc/27/96/04/1077279604.db2.gz GQLWZRFPGVVPSR-KFWWJZLASA-N 1 0 414.344 2.846 20 0 HFADRO COC(=O)c1c(OC)ccnc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170147386 1077280460 /nfs/dbraw/zinc/28/04/60/1077280460.db2.gz XMHCLWABSLVIKF-UHFFFAOYSA-N 1 0 420.473 2.786 20 0 HFADRO CN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788764875 1077281345 /nfs/dbraw/zinc/28/13/45/1077281345.db2.gz GJFHPUYIKORGIS-NRFANRHFSA-N 1 0 424.545 2.570 20 0 HFADRO C[C@@]1(CNC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000791054011 1077284519 /nfs/dbraw/zinc/28/45/19/1077284519.db2.gz BGUIJWNEMCMNND-OFNKIYASSA-N 1 0 412.555 2.976 20 0 HFADRO C[C@]1(CNC(=O)Cc2ccccc2S(C)(=O)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000791054942 1077284896 /nfs/dbraw/zinc/28/48/96/1077284896.db2.gz GNIXBNFBVLBVPX-JOCHJYFZSA-N 1 0 400.544 2.661 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000788742457 1077286693 /nfs/dbraw/zinc/28/66/93/1077286693.db2.gz WKFSSMNDBONYNR-IBGZPJMESA-N 1 0 423.579 2.691 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000791062239 1077286620 /nfs/dbraw/zinc/28/66/20/1077286620.db2.gz SPNCVXHLWFCHSF-HQSKLWIPSA-N 1 0 421.582 2.685 20 0 HFADRO CN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788795604 1077290732 /nfs/dbraw/zinc/29/07/32/1077290732.db2.gz OCRDVYCXLDOMAH-QFIPXVFZSA-N 1 0 420.557 2.528 20 0 HFADRO COc1ccccc1CCNC(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788804783 1077293228 /nfs/dbraw/zinc/29/32/28/1077293228.db2.gz YOZIMKPWURDTLF-MJGOQNOKSA-N 1 0 419.566 2.979 20 0 HFADRO CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(O)CCCCC2)C1=O ZINC000788811954 1077295214 /nfs/dbraw/zinc/29/52/14/1077295214.db2.gz LWYCLQWOHZLCGW-OALUTQOASA-N 1 0 402.535 2.955 20 0 HFADRO CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2(O)CCCCC2)C1=O ZINC000788811953 1077295227 /nfs/dbraw/zinc/29/52/27/1077295227.db2.gz LWYCLQWOHZLCGW-MOPGFXCFSA-N 1 0 402.535 2.955 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1C(=O)OC(C)(C)C ZINC000788817134 1077307172 /nfs/dbraw/zinc/30/71/72/1077307172.db2.gz WWWZBIDPICCMQU-HZPDHXFCSA-N 1 0 424.567 2.643 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000788816931 1077307456 /nfs/dbraw/zinc/30/74/56/1077307456.db2.gz WYSXUGLVTLSGIO-UXHICEINSA-N 1 0 413.562 2.924 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788832911 1077314221 /nfs/dbraw/zinc/31/42/21/1077314221.db2.gz UDHKFOXKZDCMHN-OIBXWCBGSA-N 1 0 420.557 2.949 20 0 HFADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)CN2CCC([NH2+]C(C)C)CC2)cnn1C ZINC000788844089 1077317829 /nfs/dbraw/zinc/31/78/29/1077317829.db2.gz UWBBHUNBIYPJAJ-GOSISDBHSA-N 1 0 407.603 2.874 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)CC[N@@H+]1C ZINC000791196732 1077320454 /nfs/dbraw/zinc/32/04/54/1077320454.db2.gz UNJOHTRDJWYMTI-LALGLYKDSA-N 1 0 405.495 2.709 20 0 HFADRO Cc1c(Cl)c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)sc1S(N)(=O)=O ZINC000791216456 1077332993 /nfs/dbraw/zinc/33/29/93/1077332993.db2.gz BOKYLZPGYJPRKU-UHFFFAOYSA-N 1 0 401.941 2.980 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000746773990 1077347647 /nfs/dbraw/zinc/34/76/47/1077347647.db2.gz XUVFSDWSKZDFQA-RTWAWAEBSA-N 1 0 416.566 2.633 20 0 HFADRO Cc1ccccc1[C@H]([C@@H](C)NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[NH+](C)C ZINC000788914590 1077351804 /nfs/dbraw/zinc/35/18/04/1077351804.db2.gz CYLOSRUOWCNCOS-UZLBHIALSA-N 1 0 417.531 2.921 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746776575 1077366873 /nfs/dbraw/zinc/36/68/73/1077366873.db2.gz GVDJTKZGYXFBFN-RBUKOAKNSA-N 1 0 421.925 2.993 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746776576 1077367094 /nfs/dbraw/zinc/36/70/94/1077367094.db2.gz GVDJTKZGYXFBFN-RTBURBONSA-N 1 0 421.925 2.993 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc3ccccn3)C2=O)c(C)c1 ZINC000788932819 1077367841 /nfs/dbraw/zinc/36/78/41/1077367841.db2.gz BUMPCAOLEJSCRH-OAQYLSRUSA-N 1 0 423.561 2.886 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H](C)c3ccc(S(N)(=O)=O)cc3)C2=O)c(C)c1 ZINC000788981833 1077374082 /nfs/dbraw/zinc/37/40/82/1077374082.db2.gz NBGJYDSGTRAYGN-VQIMIIECSA-N 1 0 401.532 2.715 20 0 HFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788998087 1077377033 /nfs/dbraw/zinc/37/70/33/1077377033.db2.gz VDGHHMOEKLOSLZ-KRWDZBQOSA-N 1 0 410.946 2.646 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)COc2ccc3ccc(=O)oc3c2)c1 ZINC000791336360 1077377999 /nfs/dbraw/zinc/37/79/99/1077377999.db2.gz LLJGDUNPUOIOFT-UHFFFAOYSA-N 1 0 410.470 2.771 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000791347140 1077389808 /nfs/dbraw/zinc/38/98/08/1077389808.db2.gz JILARKPAEAILSP-FQEVSTJZSA-N 1 0 403.523 2.831 20 0 HFADRO CC(C)c1cc(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n(C)n1 ZINC000747006456 1077391272 /nfs/dbraw/zinc/39/12/72/1077391272.db2.gz YFNGDBNLKZWERZ-UHFFFAOYSA-N 1 0 416.547 2.888 20 0 HFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000791360138 1077393102 /nfs/dbraw/zinc/39/31/02/1077393102.db2.gz MIZUVNSMPZANED-GOSISDBHSA-N 1 0 407.461 2.609 20 0 HFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000746783943 1077404904 /nfs/dbraw/zinc/40/49/04/1077404904.db2.gz QWOSXSXSEVACKN-UHFFFAOYSA-N 1 0 418.538 2.717 20 0 HFADRO CCOC1CC(CC(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000789161315 1077438633 /nfs/dbraw/zinc/43/86/33/1077438633.db2.gz AYYXSVZXABOARR-FQVISZRSSA-N 1 0 402.535 2.904 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791467594 1077440558 /nfs/dbraw/zinc/44/05/58/1077440558.db2.gz OYMJEUDFLIWJTA-VGOFRKELSA-N 1 0 409.486 2.588 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)C2)c1 ZINC000791473037 1077444545 /nfs/dbraw/zinc/44/45/45/1077444545.db2.gz QVUSEWFBBKXDJO-QFIPXVFZSA-N 1 0 424.501 2.587 20 0 HFADRO CSc1cccc(N2C[C@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)c1 ZINC000791568986 1077464501 /nfs/dbraw/zinc/46/45/01/1077464501.db2.gz IVOXGAUFWYBKHS-GOSISDBHSA-N 1 0 419.591 2.721 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)n1 ZINC000791554598 1077476752 /nfs/dbraw/zinc/47/67/52/1077476752.db2.gz SDBLWWHTZILHHY-KRWDZBQOSA-N 1 0 419.501 2.831 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1N1CCOC1=O ZINC000746791875 1077481309 /nfs/dbraw/zinc/48/13/09/1077481309.db2.gz XHZMXWZAHVHSMA-OAHLLOKOSA-N 1 0 416.522 2.517 20 0 HFADRO CC[NH+](CC)[C@@H](C(=O)N1CCN[C@@H](c2cnn(C)c2)C1)c1cccc(C(F)(F)F)c1 ZINC001170100474 1077489762 /nfs/dbraw/zinc/48/97/62/1077489762.db2.gz BJQFEISNUIEDDB-RTBURBONSA-N 1 0 423.483 2.995 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)C2)c1 ZINC000791623491 1077491240 /nfs/dbraw/zinc/49/12/40/1077491240.db2.gz MKJPCHGPRARGCM-VWKPWSFCSA-N 1 0 401.507 2.671 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000791602286 1077500180 /nfs/dbraw/zinc/50/01/80/1077500180.db2.gz HAMLGLXXAPFLGB-UHFFFAOYSA-N 1 0 416.566 2.890 20 0 HFADRO CCOc1nc(C)ccc1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791647603 1077510421 /nfs/dbraw/zinc/51/04/21/1077510421.db2.gz HEPAEJQRFLVJLJ-MJGOQNOKSA-N 1 0 411.502 2.725 20 0 HFADRO COC(=O)[C@@]1(NC(=O)c2ccnn2-c2ccccc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000791634798 1077521082 /nfs/dbraw/zinc/52/10/82/1077521082.db2.gz RAEWGWREMNODMY-XMMPIXPASA-N 1 0 418.497 2.810 20 0 HFADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)CCN3C[C@@H](C)O[C@@H](C)C3)cc(=O)oc2c1 ZINC000789330444 1077523790 /nfs/dbraw/zinc/52/37/90/1077523790.db2.gz RSGKJFFQMUJGRT-IYBDPMFKSA-N 1 0 417.506 2.902 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000791682574 1077527166 /nfs/dbraw/zinc/52/71/66/1077527166.db2.gz UQQBUINBHDQQBR-UHFFFAOYSA-N 1 0 411.546 2.919 20 0 HFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000746802342 1077527965 /nfs/dbraw/zinc/52/79/65/1077527965.db2.gz ZJFFWUXOBPYKPG-GOSISDBHSA-N 1 0 416.522 2.661 20 0 HFADRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCCc2ccc(OC)cc2)cc1 ZINC000789391792 1077535059 /nfs/dbraw/zinc/53/50/59/1077535059.db2.gz BIOIFYSOMYKRLP-UHFFFAOYSA-O 1 0 424.550 2.717 20 0 HFADRO CCc1ccccc1NC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(N(C)C)cc1 ZINC000789393839 1077535837 /nfs/dbraw/zinc/53/58/37/1077535837.db2.gz MJYSAQDSZIXXEL-UHFFFAOYSA-O 1 0 409.539 2.534 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccccc1 ZINC000746809336 1077549440 /nfs/dbraw/zinc/54/94/40/1077549440.db2.gz IUARPUAZKBKLRY-KRWDZBQOSA-N 1 0 424.501 2.609 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1C ZINC000746808828 1077550413 /nfs/dbraw/zinc/55/04/13/1077550413.db2.gz IIORVYVFBJZOCM-QGZVFWFLSA-N 1 0 410.518 2.919 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000791753029 1077552661 /nfs/dbraw/zinc/55/26/61/1077552661.db2.gz XZUXDLPQSWLEKZ-GGAORHGYSA-N 1 0 423.513 2.596 20 0 HFADRO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000746807969 1077567023 /nfs/dbraw/zinc/56/70/23/1077567023.db2.gz CUAUKXHGIZZWFO-TZIWHRDSSA-N 1 0 420.557 2.857 20 0 HFADRO COc1ccc([C@@H]2[C@@H](COC(=O)CN3CCc4ccccc4C3=O)CC[N@@H+]2C)cc1 ZINC000789432707 1077570124 /nfs/dbraw/zinc/57/01/24/1077570124.db2.gz MGUPLLOJBDHBQT-AUSIDOKSSA-N 1 0 408.498 2.930 20 0 HFADRO COc1ccc([C@H]2[C@H](COC(=O)CN3CCc4ccccc4C3=O)CC[N@@H+]2C)cc1 ZINC000789432708 1077570160 /nfs/dbraw/zinc/57/01/60/1077570160.db2.gz MGUPLLOJBDHBQT-CVDCTZTESA-N 1 0 408.498 2.930 20 0 HFADRO Cc1csc([C@@](O)(CC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C(F)(F)F)n1 ZINC000746818484 1077571665 /nfs/dbraw/zinc/57/16/65/1077571665.db2.gz ATZOQVCKUNAGSS-QAPCUYQASA-N 1 0 415.481 2.881 20 0 HFADRO CC(C)CC[C@]1(C2CC2)NC(=O)N(CN2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000789445277 1077577701 /nfs/dbraw/zinc/57/77/01/1077577701.db2.gz SSOISJDABYCVII-HSZRJFAPSA-N 1 0 420.598 2.658 20 0 HFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000746815169 1077579519 /nfs/dbraw/zinc/57/95/19/1077579519.db2.gz XIJWRIJOFYPBTE-UHFFFAOYSA-N 1 0 412.987 2.680 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000789471796 1077586225 /nfs/dbraw/zinc/58/62/25/1077586225.db2.gz HVRJFSCLEJCDAY-HXUWFJFHSA-N 1 0 410.518 2.783 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000789492536 1077594360 /nfs/dbraw/zinc/59/43/60/1077594360.db2.gz XJOOIIRFTLGECW-UHFFFAOYSA-N 1 0 410.971 2.850 20 0 HFADRO O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940510 1077600518 /nfs/dbraw/zinc/60/05/18/1077600518.db2.gz UMRQMNUCGTWTSZ-KDURUIRLSA-N 1 0 418.472 2.576 20 0 HFADRO O=C(c1cc(N2CCOC2=O)ccc1F)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940655 1077600538 /nfs/dbraw/zinc/60/05/38/1077600538.db2.gz WTFUOXYRBGVZNG-HDICACEKSA-N 1 0 409.461 2.986 20 0 HFADRO COc1ccc(Br)c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1N ZINC000791949689 1077606005 /nfs/dbraw/zinc/60/60/05/1077606005.db2.gz HHNIRELBWPBGED-UHFFFAOYSA-N 1 0 414.344 2.613 20 0 HFADRO COC(=O)/C=C\c1ccc(OCC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000789521196 1077615142 /nfs/dbraw/zinc/61/51/42/1077615142.db2.gz LLHPHTPSGHSTPI-VPAPRSNLSA-N 1 0 408.498 2.985 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792057278 1077663653 /nfs/dbraw/zinc/66/36/53/1077663653.db2.gz OTGCLOWYFVXDPR-UHFFFAOYSA-N 1 0 410.603 2.558 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccccc2COC2CCOCC2)CC1 ZINC000792035551 1077686633 /nfs/dbraw/zinc/68/66/33/1077686633.db2.gz UARJOZIRSVIPBV-UHFFFAOYSA-N 1 0 404.551 2.955 20 0 HFADRO O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792045283 1077691399 /nfs/dbraw/zinc/69/13/99/1077691399.db2.gz CGSPUSLBSJTHPR-HXUWFJFHSA-N 1 0 408.502 2.965 20 0 HFADRO CCc1nnc(CONC(=[NH2+])[C@H](NC(=O)OC(C)(C)C)c2ccc(OC)cc2)o1 ZINC000789630636 1077710886 /nfs/dbraw/zinc/71/08/86/1077710886.db2.gz AKLBJTFFBWGQEO-MRXNPFEDSA-N 1 0 405.455 2.905 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000746842275 1077715448 /nfs/dbraw/zinc/71/54/48/1077715448.db2.gz MCOKQKQWMFKBIJ-GUDVDZBRSA-N 1 0 410.603 2.506 20 0 HFADRO CN1CCN(c2cc[nH+]cc2NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000746842341 1077715968 /nfs/dbraw/zinc/71/59/68/1077715968.db2.gz UVUSEQULYWSOME-UHFFFAOYSA-N 1 0 403.527 2.609 20 0 HFADRO CCC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H](O)c1ccccc1 ZINC000792141362 1077720366 /nfs/dbraw/zinc/72/03/66/1077720366.db2.gz JTTJLUGHTWUNEL-CBPXPLCBSA-N 1 0 403.567 2.956 20 0 HFADRO C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)CNC(=O)OC(C)(C)C ZINC000792142750 1077720580 /nfs/dbraw/zinc/72/05/80/1077720580.db2.gz KTSFWDSHPSGGHE-HKUYNNGSSA-N 1 0 404.555 2.969 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000792150397 1077723517 /nfs/dbraw/zinc/72/35/17/1077723517.db2.gz HQYVAHMKWSPXAF-RBUKOAKNSA-N 1 0 411.587 2.981 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC3([C@H](O)c4ccccc4)CC3)cccc21 ZINC000789684922 1077725658 /nfs/dbraw/zinc/72/56/58/1077725658.db2.gz KBGPVKAXUDEQSI-PZJWPPBQSA-N 1 0 423.513 2.640 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000746848664 1077736983 /nfs/dbraw/zinc/73/69/83/1077736983.db2.gz RGUIXWRTDJSONQ-OAGGEKHMSA-N 1 0 411.543 2.553 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000746844246 1077739693 /nfs/dbraw/zinc/73/96/93/1077739693.db2.gz RGTITKDHPMHITJ-AZUAARDMSA-N 1 0 418.582 2.594 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)C2)c1 ZINC000792199631 1077742673 /nfs/dbraw/zinc/74/26/73/1077742673.db2.gz SEPABAYTABEQDN-MBSDFSHPSA-N 1 0 423.513 2.930 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)C2)c1 ZINC000792199629 1077742746 /nfs/dbraw/zinc/74/27/46/1077742746.db2.gz SEPABAYTABEQDN-JPYJTQIMSA-N 1 0 423.513 2.930 20 0 HFADRO CC1(C)CN=C(N2CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)S1 ZINC000792229727 1077753785 /nfs/dbraw/zinc/75/37/85/1077753785.db2.gz FWXRUIHEHTXNPM-IBGZPJMESA-N 1 0 415.607 2.717 20 0 HFADRO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792234369 1077757156 /nfs/dbraw/zinc/75/71/56/1077757156.db2.gz UFJMCEUJINGEBT-SFHVURJKSA-N 1 0 405.502 2.999 20 0 HFADRO C[NH+]1CCC(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)CC1 ZINC000746849618 1077757781 /nfs/dbraw/zinc/75/77/81/1077757781.db2.gz XKRQZPRBJAABCK-HSZRJFAPSA-N 1 0 423.532 2.780 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)Nc3nc4c(s3)CCC4)cc2)CC1 ZINC000789767467 1077768495 /nfs/dbraw/zinc/76/84/95/1077768495.db2.gz CFBIFAGEDXDOCV-UHFFFAOYSA-N 1 0 413.547 2.739 20 0 HFADRO CCS(=O)(=O)c1ccc(CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000792218158 1077771752 /nfs/dbraw/zinc/77/17/52/1077771752.db2.gz PFOBSJQFVFLNNU-UHFFFAOYSA-N 1 0 409.577 2.945 20 0 HFADRO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000789754628 1077786619 /nfs/dbraw/zinc/78/66/19/1077786619.db2.gz KFPICTPTRWHYQG-INIZCTEOSA-N 1 0 403.527 2.735 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCCC[C@@H]1C1OCCO1 ZINC000792275053 1077789481 /nfs/dbraw/zinc/78/94/81/1077789481.db2.gz BQSXXOOWXFOAFC-UYSNPLJNSA-N 1 0 405.461 2.729 20 0 HFADRO CSC1(CNC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CCC1 ZINC000789784049 1077793279 /nfs/dbraw/zinc/79/32/79/1077793279.db2.gz JKLVYTOERWLYTE-UHFFFAOYSA-N 1 0 418.607 2.805 20 0 HFADRO O=C(c1nc(Br)ccc1F)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000792303578 1077796684 /nfs/dbraw/zinc/79/66/84/1077796684.db2.gz OVUCEGFNDZPCBQ-UHFFFAOYSA-N 1 0 414.319 2.948 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3cccc4c3CC[N@H+](CC(C)(C)O)C4)C2)c1 ZINC000792315477 1077804131 /nfs/dbraw/zinc/80/41/31/1077804131.db2.gz AOUTVUASFHRZBW-JOCHJYFZSA-N 1 0 423.513 2.956 20 0 HFADRO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792330113 1077809737 /nfs/dbraw/zinc/80/97/37/1077809737.db2.gz AOVHFMVGZRCJJL-UHFFFAOYSA-N 1 0 410.559 2.724 20 0 HFADRO COc1cc(NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc(-n2cccn2)c1 ZINC000792365935 1077816986 /nfs/dbraw/zinc/81/69/86/1077816986.db2.gz XFJMFQLHZIYLIX-UHFFFAOYSA-N 1 0 421.501 2.540 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC000789808724 1077820472 /nfs/dbraw/zinc/82/04/72/1077820472.db2.gz GZCGFZZXXMCJHQ-FCHUYYIVSA-N 1 0 424.520 2.967 20 0 HFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000792395475 1077833140 /nfs/dbraw/zinc/83/31/40/1077833140.db2.gz HTZOEUMHBLRWJV-QGZVFWFLSA-N 1 0 416.566 2.876 20 0 HFADRO CC(C)(NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C(F)F ZINC000792403989 1077837062 /nfs/dbraw/zinc/83/70/62/1077837062.db2.gz NKYVAQSONLXFDF-UHFFFAOYSA-N 1 0 424.492 2.990 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H]3C)cc2)CC1 ZINC000792385110 1077847946 /nfs/dbraw/zinc/84/79/46/1077847946.db2.gz DTDJEYOIGHPZEG-PBHICJAKSA-N 1 0 412.456 2.566 20 0 HFADRO CCOC(=O)C1=C(C[NH2+][C@]2(CC)CCOC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000792430204 1077851563 /nfs/dbraw/zinc/85/15/63/1077851563.db2.gz HLMWWVPOJIRXDG-FXAWDEMLSA-N 1 0 407.898 2.670 20 0 HFADRO CN1CCC(CNC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)([NH+]2CCCCC2)CC1 ZINC000746863498 1077852948 /nfs/dbraw/zinc/85/29/48/1077852948.db2.gz XYGUQIGNOCLABF-UHFFFAOYSA-N 1 0 422.614 2.890 20 0 HFADRO COC(=O)c1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c2ncccc12 ZINC001170166344 1077864017 /nfs/dbraw/zinc/86/40/17/1077864017.db2.gz GVQIDAAJESMVDL-UHFFFAOYSA-N 1 0 405.458 2.890 20 0 HFADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000792489513 1077864623 /nfs/dbraw/zinc/86/46/23/1077864623.db2.gz AMZYWYCBTVKXAO-UHFFFAOYSA-N 1 0 416.444 2.692 20 0 HFADRO COc1ccccc1-n1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)ccc1=O ZINC001170167404 1077865022 /nfs/dbraw/zinc/86/50/22/1077865022.db2.gz GCKIVXJCZZUXMP-UHFFFAOYSA-N 1 0 419.485 2.714 20 0 HFADRO CCc1c(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cnn1-c1ccccc1C ZINC000792493891 1077866216 /nfs/dbraw/zinc/86/62/16/1077866216.db2.gz ZLTCAFVFUWUPLG-UHFFFAOYSA-N 1 0 424.549 2.515 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccc(=O)n(Cc2ccc(F)cc2)c1 ZINC001170167307 1077879502 /nfs/dbraw/zinc/87/95/02/1077879502.db2.gz AKYONARZBQFAQD-UHFFFAOYSA-N 1 0 421.476 2.904 20 0 HFADRO CCOC(=O)c1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc2c1OCC2 ZINC001170168823 1077890269 /nfs/dbraw/zinc/89/02/69/1077890269.db2.gz VSUAJNJFEAWDDM-UHFFFAOYSA-N 1 0 410.474 2.666 20 0 HFADRO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)CCO1 ZINC001170169639 1077893275 /nfs/dbraw/zinc/89/32/75/1077893275.db2.gz OPOQXCSSGNQWIA-NXHRZFHOSA-N 1 0 407.486 2.535 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)C1 ZINC001170169950 1077894262 /nfs/dbraw/zinc/89/42/62/1077894262.db2.gz IROCOWUXZHCWST-WHCFWRGISA-N 1 0 424.582 2.874 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000792546779 1077898915 /nfs/dbraw/zinc/89/89/15/1077898915.db2.gz QJZNZDPLOYEMJW-UHFFFAOYSA-N 1 0 421.453 2.848 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)NCCOc1ccc(C(F)(F)F)cc1 ZINC000792545686 1077899025 /nfs/dbraw/zinc/89/90/25/1077899025.db2.gz FJLBQQWBRFXNBH-UHFFFAOYSA-N 1 0 407.348 2.705 20 0 HFADRO CC(C)(C)OC(=O)NC1(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000792556699 1077902466 /nfs/dbraw/zinc/90/24/66/1077902466.db2.gz YCPAWZWGRODGBP-UHFFFAOYSA-N 1 0 405.461 2.965 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790031903 1077904498 /nfs/dbraw/zinc/90/44/98/1077904498.db2.gz HJEDHOFTGGVSHV-UHFFFAOYSA-N 1 0 414.594 2.574 20 0 HFADRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790038488 1077907243 /nfs/dbraw/zinc/90/72/43/1077907243.db2.gz IXRIXASRVFQFBU-RDJZCZTQSA-N 1 0 411.568 2.672 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)CCO1 ZINC001170210922 1077908353 /nfs/dbraw/zinc/90/83/53/1077908353.db2.gz YJUIGTOSVNPXEB-HMXCVIKNSA-N 1 0 401.551 2.930 20 0 HFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000792560470 1077911422 /nfs/dbraw/zinc/91/14/22/1077911422.db2.gz IHGPLJPPVJQHKS-LLVKDONJSA-N 1 0 422.378 2.894 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000790012217 1077912676 /nfs/dbraw/zinc/91/26/76/1077912676.db2.gz SUQBMVLPTGWGRH-UHFFFAOYSA-N 1 0 401.532 2.744 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccccc1OCC(F)(F)F ZINC000790019125 1077915888 /nfs/dbraw/zinc/91/58/88/1077915888.db2.gz QCIHIEIFVXGZLR-UHFFFAOYSA-N 1 0 421.441 2.770 20 0 HFADRO CCS(=O)(=O)N([C@@H](C)Cc1ccccc1Cl)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001170272359 1077925485 /nfs/dbraw/zinc/92/54/85/1077925485.db2.gz GRZUCSRAQVFLNH-WQCNXYOZSA-N 1 0 400.972 2.690 20 0 HFADRO CCOCN(C(=O)CN1CC[NH+](CC2CCOCC2)CC1)c1c(C)cccc1CC ZINC000790080963 1077925778 /nfs/dbraw/zinc/92/57/78/1077925778.db2.gz RJYPBNQXGOGSGP-UHFFFAOYSA-N 1 0 417.594 2.929 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@@H](C)Cc2ccccc2Cl)c1 ZINC001170255515 1077928909 /nfs/dbraw/zinc/92/89/09/1077928909.db2.gz RTVONQZRHFWEAO-IFXJQAMLSA-N 1 0 406.910 2.728 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000790051265 1077931498 /nfs/dbraw/zinc/93/14/98/1077931498.db2.gz DETRTSXWAFPJMC-DENIHFKCSA-N 1 0 414.594 2.667 20 0 HFADRO COCC[C@@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001170300634 1077931779 /nfs/dbraw/zinc/93/17/79/1077931779.db2.gz UPHVGNVTAUOEMB-OAHLLOKOSA-N 1 0 404.429 2.831 20 0 HFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(Br)cc3)C[C@H]2C1)C(F)(F)F ZINC001170280410 1077936096 /nfs/dbraw/zinc/93/60/96/1077936096.db2.gz DWSKETUBKHPCGV-YDHLFZDLSA-N 1 0 421.257 2.825 20 0 HFADRO O=C(N1C[C@@H]2C[N@H+](C[C@H](O)c3ccc(Br)cc3)CC[C@@H]2C1)C(F)(F)F ZINC001170280408 1077936186 /nfs/dbraw/zinc/93/61/86/1077936186.db2.gz DWSKETUBKHPCGV-IPYPFGDCSA-N 1 0 421.257 2.825 20 0 HFADRO NC(=O)C1CCN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nn2)CC1 ZINC001170331027 1077945007 /nfs/dbraw/zinc/94/50/07/1077945007.db2.gz NTHMCVGSHLPSIM-MZADTFQBSA-N 1 0 420.561 2.786 20 0 HFADRO C[C@H]1CN(Cc2ccccc2)CC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170333730 1077945906 /nfs/dbraw/zinc/94/59/06/1077945906.db2.gz QTDAQNQMRGOPNZ-CVDCTZTESA-N 1 0 403.567 2.812 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC001170334223 1077946359 /nfs/dbraw/zinc/94/63/59/1077946359.db2.gz YANLIXKOSHARAZ-DLBZAZTESA-N 1 0 422.570 2.724 20 0 HFADRO CC(C)C[NH2+]C1(CO)CCN(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC001170365185 1077950941 /nfs/dbraw/zinc/95/09/41/1077950941.db2.gz MMIUPPPHSAZPGA-UHFFFAOYSA-N 1 0 423.557 2.929 20 0 HFADRO CC(C)CN(C(=O)C[NH+]1CCCCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001170341713 1077953672 /nfs/dbraw/zinc/95/36/72/1077953672.db2.gz CFSJMPOZBOBTQL-UHFFFAOYSA-N 1 0 421.586 2.832 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001170349963 1077955541 /nfs/dbraw/zinc/95/55/41/1077955541.db2.gz VSTOJBHBYKDSBJ-QZTJIDSGSA-N 1 0 407.555 2.536 20 0 HFADRO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000772813187 1077955864 /nfs/dbraw/zinc/95/58/64/1077955864.db2.gz OGOKGSOSZVIHIY-NRSPTQNISA-N 1 0 402.922 2.763 20 0 HFADRO CC1(C)[C@H]([NH2+]CC(=O)NCCOc2cccc(C(F)(F)F)c2)[C@H]2CCCO[C@@H]21 ZINC001170385231 1077956781 /nfs/dbraw/zinc/95/67/81/1077956781.db2.gz GQJUFCAOADTECB-NXHRZFHOSA-N 1 0 400.441 2.994 20 0 HFADRO C[C@@H]1CN(CCN(C)C(=O)c2ccoc2COc2ccc(C=O)cc2)C[C@H](C)O1 ZINC000790120956 1077957934 /nfs/dbraw/zinc/95/79/34/1077957934.db2.gz AIWRLLCSNVOKAU-CALCHBBNSA-N 1 0 400.475 2.852 20 0 HFADRO CN(CCN1CCOC(C)(C)C1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000790121001 1077957957 /nfs/dbraw/zinc/95/79/57/1077957957.db2.gz BEOVVSJZTHEGDQ-IBGZPJMESA-N 1 0 419.566 2.692 20 0 HFADRO C[C@@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790154087 1077960487 /nfs/dbraw/zinc/96/04/87/1077960487.db2.gz OVCPBOCMRICMRE-DYVFJYSZSA-N 1 0 403.918 2.859 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cnc(Br)c(Cl)c3)cn2)CC1 ZINC000790171631 1077964809 /nfs/dbraw/zinc/96/48/09/1077964809.db2.gz XEBOKYQACQGZBS-UHFFFAOYSA-N 1 0 410.703 2.897 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001170411360 1077966608 /nfs/dbraw/zinc/96/66/08/1077966608.db2.gz JQZFVZUGIRUYAI-WOCWXWTJSA-N 1 0 404.507 2.960 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)COC3CN(C(=O)OC(C)(C)C)C3)cccc21 ZINC000790240168 1077974537 /nfs/dbraw/zinc/97/45/37/1077974537.db2.gz GAEKPZCGUDFVPA-KRWDZBQOSA-N 1 0 405.495 2.646 20 0 HFADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000790242271 1077975107 /nfs/dbraw/zinc/97/51/07/1077975107.db2.gz OTBMWHZJZRFBHM-GOSISDBHSA-N 1 0 421.494 2.761 20 0 HFADRO C[C@@H](CNC(=O)N(CCO)Cc1ccc(Br)s1)[NH+]1CCCCC1 ZINC000790235781 1077982499 /nfs/dbraw/zinc/98/24/99/1077982499.db2.gz ARWYJNHILBVCRW-ZDUSSCGKSA-N 1 0 404.374 2.889 20 0 HFADRO CN(Cc1ccc(F)cc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000790292466 1077987572 /nfs/dbraw/zinc/98/75/72/1077987572.db2.gz KOFGLQGQPPBPHW-HUUCEWRRSA-N 1 0 400.292 2.593 20 0 HFADRO CN(Cc1ccc(F)cc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000790292467 1077987589 /nfs/dbraw/zinc/98/75/89/1077987589.db2.gz KOFGLQGQPPBPHW-LSDHHAIUSA-N 1 0 400.292 2.593 20 0 HFADRO C[C@@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)C[C@H]3CCCOC3)cc2)C[C@H]1C ZINC000792770785 1077997882 /nfs/dbraw/zinc/99/78/82/1077997882.db2.gz UCESCJYJCZEBKT-SBHAEUEKSA-N 1 0 424.607 2.542 20 0 HFADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(CCO)Cc1cccnc1Cl ZINC000792778518 1077998824 /nfs/dbraw/zinc/99/88/24/1077998824.db2.gz VEXHJBVKNYTLFV-UHFFFAOYSA-N 1 0 402.926 2.904 20 0 HFADRO C[C@@H](c1ccc(F)cc1F)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790361242 1078004383 /nfs/dbraw/zinc/00/43/83/1078004383.db2.gz CWZZGWIALXMLPB-AOMKIAJQSA-N 1 0 420.504 2.518 20 0 HFADRO CCc1ccc([C@H]2CN(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CCO2)cc1 ZINC000790363669 1078005070 /nfs/dbraw/zinc/00/50/70/1078005070.db2.gz ZACTUKZMDRRZKI-FGZHOGPDSA-N 1 0 401.551 2.975 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(Br)ccc1Br ZINC000790344938 1078008091 /nfs/dbraw/zinc/00/80/91/1078008091.db2.gz YHZYEDVHVWWXJX-NXEZZACHSA-N 1 0 403.118 2.963 20 0 HFADRO CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747089366 1078011804 /nfs/dbraw/zinc/01/18/04/1078011804.db2.gz ALBHYJJHVOYYEQ-GOSISDBHSA-N 1 0 405.539 2.938 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1)OCc1ccccc1 ZINC000792852676 1078014846 /nfs/dbraw/zinc/01/48/46/1078014846.db2.gz CHHBOUOEUWSLKQ-PCCBWWKXSA-N 1 0 414.550 2.961 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCO[C@@H](c3cccc(OC(F)F)c3)C1)C[NH+]1CCC2CC1 ZINC000790365588 1078015199 /nfs/dbraw/zinc/01/51/99/1078015199.db2.gz CGSVOZLARJQGEI-WIYYLYMNSA-N 1 0 423.460 2.535 20 0 HFADRO O=C1CN([C@H]2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878010 1078016023 /nfs/dbraw/zinc/01/60/23/1078016023.db2.gz QYBJRPGDQBGJNX-FCHUYYIVSA-N 1 0 420.557 2.811 20 0 HFADRO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000792879158 1078016053 /nfs/dbraw/zinc/01/60/53/1078016053.db2.gz DHSBUQKBLYSRMB-MNJKBJKMSA-N 1 0 416.543 2.937 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000792880770 1078016688 /nfs/dbraw/zinc/01/66/88/1078016688.db2.gz VAXSYZZMXJHAKA-LEWJYISDSA-N 1 0 419.566 2.503 20 0 HFADRO C[N@@H+]1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)C[C@@H]1Cc1ccccc1 ZINC000792944173 1078022975 /nfs/dbraw/zinc/02/29/75/1078022975.db2.gz WVRFUFUHGHSYHG-SFHVURJKSA-N 1 0 414.460 2.622 20 0 HFADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(OC)c1 ZINC000792914806 1078024850 /nfs/dbraw/zinc/02/48/50/1078024850.db2.gz XSBCMIHQENPTQL-QBIMZIAESA-N 1 0 418.317 2.737 20 0 HFADRO NC(=O)NC(=O)OCCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000792931705 1078027986 /nfs/dbraw/zinc/02/79/86/1078027986.db2.gz SCLYLOVQMCERMS-OAHLLOKOSA-N 1 0 403.401 2.958 20 0 HFADRO C[C@@H]1C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000792973968 1078030474 /nfs/dbraw/zinc/03/04/74/1078030474.db2.gz PFIODEZOOSTVIW-OWCLPIDISA-N 1 0 401.548 2.592 20 0 HFADRO Cc1cc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cnc1Cl ZINC000790437635 1078030883 /nfs/dbraw/zinc/03/08/83/1078030883.db2.gz GTSFBPUVFQDHCG-UHFFFAOYSA-N 1 0 409.939 2.995 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)nc1Br ZINC000792978768 1078031174 /nfs/dbraw/zinc/03/11/74/1078031174.db2.gz AYEMPQYFMXEJOW-AWEZNQCLSA-N 1 0 409.328 2.568 20 0 HFADRO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790439503 1078031719 /nfs/dbraw/zinc/03/17/19/1078031719.db2.gz OBBWSVKQVSBGDF-GFCCVEGCSA-N 1 0 424.295 2.961 20 0 HFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000792948890 1078032928 /nfs/dbraw/zinc/03/29/28/1078032928.db2.gz MEQNJZKBPBMWQI-STQMWFEESA-N 1 0 416.503 2.740 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000792954592 1078034177 /nfs/dbraw/zinc/03/41/77/1078034177.db2.gz OYZQMUMMMQVAQE-OAHLLOKOSA-N 1 0 417.307 2.563 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000792963079 1078036916 /nfs/dbraw/zinc/03/69/16/1078036916.db2.gz UWGQKOBDNDUSPP-IBGZPJMESA-N 1 0 417.550 2.563 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccco1 ZINC000792967214 1078038200 /nfs/dbraw/zinc/03/82/00/1078038200.db2.gz BUAIRJSCDJOGCN-GFCCVEGCSA-N 1 0 409.284 2.575 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000792986583 1078041204 /nfs/dbraw/zinc/04/12/04/1078041204.db2.gz QNOFTBAQKSHAER-MRXNPFEDSA-N 1 0 413.559 2.738 20 0 HFADRO C[C@@H](CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000792990239 1078042195 /nfs/dbraw/zinc/04/21/95/1078042195.db2.gz SINGTOFAVZOKLW-HKUYNNGSSA-N 1 0 402.539 2.817 20 0 HFADRO COC(=O)[C@H](COCc1ccccc1)Nc1nc(C[NH3+])ccc1NC(=O)C(C)(C)C ZINC001170137734 1078043401 /nfs/dbraw/zinc/04/34/01/1078043401.db2.gz HGXNOKPTEBDGEC-SFHVURJKSA-N 1 0 414.506 2.695 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000806254937 1079523241 /nfs/dbraw/zinc/52/32/41/1079523241.db2.gz XLMRPRIHAZBRGW-QHAWAJNXSA-N 1 0 419.541 2.621 20 0 HFADRO CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170504636 1079533397 /nfs/dbraw/zinc/53/33/97/1079533397.db2.gz GQFHVQIBHCUTQM-IKGGRYGDSA-N 1 0 414.543 2.696 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccco1 ZINC000806282442 1079546565 /nfs/dbraw/zinc/54/65/65/1079546565.db2.gz LAXMTERUAIDFFV-WMLDXEAASA-N 1 0 408.524 2.580 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000806301520 1079554213 /nfs/dbraw/zinc/55/42/13/1079554213.db2.gz YJTBXZNEQSZKGV-HXUWFJFHSA-N 1 0 415.582 2.871 20 0 HFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]3C)c2)C1 ZINC001130584549 1079557839 /nfs/dbraw/zinc/55/78/39/1079557839.db2.gz CDBLAHKOUJTIJL-LFDJNIOPSA-N 1 0 421.607 2.906 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000806308062 1079558913 /nfs/dbraw/zinc/55/89/13/1079558913.db2.gz LEDPLOSHOMUJJV-MJGOQNOKSA-N 1 0 406.527 2.608 20 0 HFADRO COc1cccc([C@@H](CNC(=O)N2CCCC[C@H]2COC(=O)N(C)C)[NH+](C)C)c1 ZINC000806308555 1079562425 /nfs/dbraw/zinc/56/24/25/1079562425.db2.gz VBWRSKQJDWHJLL-PKOBYXMFSA-N 1 0 406.527 2.560 20 0 HFADRO CCc1ccc([C@H](CNC(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000806308575 1079562508 /nfs/dbraw/zinc/56/25/08/1079562508.db2.gz VVXQRUAFQROBRA-QFBILLFUSA-N 1 0 415.456 2.989 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000806287540 1079572651 /nfs/dbraw/zinc/57/26/51/1079572651.db2.gz DYOWXDUGYZTNPK-XBUHWIKASA-N 1 0 410.927 2.626 20 0 HFADRO O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806288364 1079574286 /nfs/dbraw/zinc/57/42/86/1079574286.db2.gz VFTWAKICJLBGAI-ZGJBTBESSA-N 1 0 413.562 2.794 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000806290927 1079576145 /nfs/dbraw/zinc/57/61/45/1079576145.db2.gz XUGIRPIMYGKDMX-PKTZIBPZSA-N 1 0 423.557 2.513 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000806292478 1079581245 /nfs/dbraw/zinc/58/12/45/1079581245.db2.gz NSJQLFBNZJIIMQ-SFHVURJKSA-N 1 0 406.433 2.514 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000806318905 1079590167 /nfs/dbraw/zinc/59/01/67/1079590167.db2.gz DPZBFCFNCJDBHQ-OAQYLSRUSA-N 1 0 420.558 2.700 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)(C)C ZINC000806321356 1079593478 /nfs/dbraw/zinc/59/34/78/1079593478.db2.gz UGVJVYRINHDVEF-AQNXPRMDSA-N 1 0 409.615 2.982 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000747325259 1079594694 /nfs/dbraw/zinc/59/46/94/1079594694.db2.gz GHHNHEVDWDHBID-GJZGRUSLSA-N 1 0 403.573 2.921 20 0 HFADRO CC1CC[NH+](CCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000806334133 1079605093 /nfs/dbraw/zinc/60/50/93/1079605093.db2.gz WZBPLEPFPUOAFT-JYJNAYRXSA-N 1 0 406.493 2.595 20 0 HFADRO Cc1cc(NC(=O)N2CCCC[C@H]2COC(=O)N(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000806333464 1079605108 /nfs/dbraw/zinc/60/51/08/1079605108.db2.gz JQFMBKXCKODRIA-KRWDZBQOSA-N 1 0 406.531 2.543 20 0 HFADRO C[C@@]1(NC(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001130610040 1079629424 /nfs/dbraw/zinc/62/94/24/1079629424.db2.gz PKHWPGOHWQHXDD-JOCHJYFZSA-N 1 0 416.543 2.640 20 0 HFADRO CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)[NH+](C)C)cc1 ZINC000806382714 1079632488 /nfs/dbraw/zinc/63/24/88/1079632488.db2.gz SUUVTEUWOOSHHS-OAQYLSRUSA-N 1 0 421.549 2.963 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)[NH+](C)C)cc1 ZINC000806382663 1079632514 /nfs/dbraw/zinc/63/25/14/1079632514.db2.gz QXOFVQCZDCJWQK-HXUWFJFHSA-N 1 0 423.521 2.552 20 0 HFADRO CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)[NH+](C)C)cc1 ZINC000806382713 1079632525 /nfs/dbraw/zinc/63/25/25/1079632525.db2.gz SUUVTEUWOOSHHS-NRFANRHFSA-N 1 0 421.549 2.963 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cnn(C)c1 ZINC000806358196 1079645609 /nfs/dbraw/zinc/64/56/09/1079645609.db2.gz TZWKCNBPWKWUQD-MRXNPFEDSA-N 1 0 407.559 2.754 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000806360241 1079647272 /nfs/dbraw/zinc/64/72/72/1079647272.db2.gz AFHYQJBXSMNLHM-XZOQPEGZSA-N 1 0 416.610 2.722 20 0 HFADRO C[NH+]1CCN(C(C)(C)CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000806361907 1079648893 /nfs/dbraw/zinc/64/88/93/1079648893.db2.gz NOJYQKKVGFCYAM-QHCPKHFHSA-N 1 0 424.589 2.958 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000806372922 1079659739 /nfs/dbraw/zinc/65/97/39/1079659739.db2.gz YTPFWEJYIBQGCJ-FQEVSTJZSA-N 1 0 417.554 2.698 20 0 HFADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000806426466 1079672668 /nfs/dbraw/zinc/67/26/68/1079672668.db2.gz GRMJVSOYKPESSZ-FUHYEJFZSA-N 1 0 412.578 2.685 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000806429224 1079674032 /nfs/dbraw/zinc/67/40/32/1079674032.db2.gz RNAPLFZNZYZCET-GGPKGHCWSA-N 1 0 406.571 2.903 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCCC[C@H]3COC(=O)N(C)C)c2)CC1 ZINC000806431141 1079676698 /nfs/dbraw/zinc/67/66/98/1079676698.db2.gz MXWVUFIZZMOVMW-FQEVSTJZSA-N 1 0 417.554 2.913 20 0 HFADRO C[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000806434953 1079681458 /nfs/dbraw/zinc/68/14/58/1079681458.db2.gz ZDEMMFXZRLWCPN-XLIONFOSSA-N 1 0 402.539 2.696 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000806438181 1079706116 /nfs/dbraw/zinc/70/61/16/1079706116.db2.gz YMIYHIJAMFFKNA-QGZVFWFLSA-N 1 0 412.600 2.610 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000806459101 1079731694 /nfs/dbraw/zinc/73/16/94/1079731694.db2.gz SNGMNUBARICWHW-LJQANCHMSA-N 1 0 406.502 2.710 20 0 HFADRO COc1cc(CCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)ccc1C ZINC000806466414 1079737248 /nfs/dbraw/zinc/73/72/48/1079737248.db2.gz ZBVQWDCRIWJDJL-UHFFFAOYSA-N 1 0 401.551 2.576 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000806478666 1079764606 /nfs/dbraw/zinc/76/46/06/1079764606.db2.gz WOQVORVRRYFLCF-KRWDZBQOSA-N 1 0 418.582 2.843 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)CC1 ZINC000806540962 1079778488 /nfs/dbraw/zinc/77/84/88/1079778488.db2.gz MVZXYEONONDWMC-HXUWFJFHSA-N 1 0 424.586 2.530 20 0 HFADRO CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000747334784 1079786745 /nfs/dbraw/zinc/78/67/45/1079786745.db2.gz QXBMWQYGDIWDTA-UHFFFAOYSA-N 1 0 403.523 2.648 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NCCN2CCc3ccccc32)c1-c1ccccc1 ZINC000806513303 1079788341 /nfs/dbraw/zinc/78/83/41/1079788341.db2.gz CFXYLBCASFXRND-UHFFFAOYSA-N 1 0 403.530 2.904 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)C1 ZINC000806512956 1079788463 /nfs/dbraw/zinc/78/84/63/1079788463.db2.gz YKIMGFHTKQCDQN-CEXWTWQISA-N 1 0 424.586 2.576 20 0 HFADRO CN(c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000806535875 1079808615 /nfs/dbraw/zinc/80/86/15/1079808615.db2.gz ZUBXRENCJNEGHU-KRWDZBQOSA-N 1 0 412.456 2.709 20 0 HFADRO CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)NCCc3ccc(Cl)nc3)CC2)CC1 ZINC000806599534 1079841804 /nfs/dbraw/zinc/84/18/04/1079841804.db2.gz UAIMBITXUXZADL-UHFFFAOYSA-N 1 0 420.985 2.753 20 0 HFADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747341695 1079876039 /nfs/dbraw/zinc/87/60/39/1079876039.db2.gz HKBLIESKTQHYHR-QZTJIDSGSA-N 1 0 402.926 2.795 20 0 HFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000806658362 1079876952 /nfs/dbraw/zinc/87/69/52/1079876952.db2.gz SAFFAQJSIRSVEK-LPHOPBHVSA-N 1 0 407.356 2.915 20 0 HFADRO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000806626670 1079885054 /nfs/dbraw/zinc/88/50/54/1079885054.db2.gz YWCCBUXOUQPVQS-UHFFFAOYSA-N 1 0 418.968 2.838 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000747343195 1079906082 /nfs/dbraw/zinc/90/60/82/1079906082.db2.gz OSSYBOKNFSBPRH-SJORKVTESA-N 1 0 409.515 2.589 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000747343192 1079906168 /nfs/dbraw/zinc/90/61/68/1079906168.db2.gz OSSYBOKNFSBPRH-IRXDYDNUSA-N 1 0 409.515 2.589 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000806727002 1079951304 /nfs/dbraw/zinc/95/13/04/1079951304.db2.gz LBYWZLADWHNMDB-NHCUHLMSSA-N 1 0 416.566 2.861 20 0 HFADRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000806728261 1079951862 /nfs/dbraw/zinc/95/18/62/1079951862.db2.gz NKUYNVIHVGURHD-IBGZPJMESA-N 1 0 423.557 2.653 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)C1CC1 ZINC000806730253 1079955138 /nfs/dbraw/zinc/95/51/38/1079955138.db2.gz KRJXTDOMHWFDPA-QFIPXVFZSA-N 1 0 423.557 2.557 20 0 HFADRO COc1cccc(OCCC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130732709 1079970301 /nfs/dbraw/zinc/97/03/01/1079970301.db2.gz BBLPISLTHZSYNQ-XZOQPEGZSA-N 1 0 410.514 2.966 20 0 HFADRO CCOC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)nc1C ZINC001130733422 1079972077 /nfs/dbraw/zinc/97/20/77/1079972077.db2.gz QFBLAZFAWSYDQT-FCHUYYIVSA-N 1 0 423.513 2.682 20 0 HFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806764753 1079982965 /nfs/dbraw/zinc/98/29/65/1079982965.db2.gz MBRYYWXUXBDNPW-SFHVURJKSA-N 1 0 411.468 2.910 20 0 HFADRO COC(=O)c1cccc(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)c1 ZINC001130741949 1080004528 /nfs/dbraw/zinc/00/45/28/1080004528.db2.gz GBTMLXPVSORSJG-UHFFFAOYSA-N 1 0 411.502 2.742 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)CCC(=O)OC(C)(C)C)cc2)CC1 ZINC001130741715 1080004739 /nfs/dbraw/zinc/00/47/39/1080004739.db2.gz CCUOIHXBEUIMIV-UHFFFAOYSA-N 1 0 405.539 2.763 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806788162 1080010210 /nfs/dbraw/zinc/01/02/10/1080010210.db2.gz DHXJANQMNKIAMZ-YADHBBJMSA-N 1 0 415.578 2.790 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806811944 1080025698 /nfs/dbraw/zinc/02/56/98/1080025698.db2.gz YVRKBVNURJKWQJ-UXHICEINSA-N 1 0 402.539 2.961 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3nnc(-c4ccccc4)[nH]3)cc2)CC1 ZINC000806850436 1080035564 /nfs/dbraw/zinc/03/55/64/1080035564.db2.gz PPGITPWOZBKUCM-UHFFFAOYSA-N 1 0 420.517 2.944 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000806851657 1080036428 /nfs/dbraw/zinc/03/64/28/1080036428.db2.gz VWQRLXRUCQLSPX-UHFFFAOYSA-N 1 0 418.588 2.504 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000806838127 1080051183 /nfs/dbraw/zinc/05/11/83/1080051183.db2.gz QAMDSBMUHVOTCZ-WOJBJXKFSA-N 1 0 424.586 2.722 20 0 HFADRO CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000747363146 1080062969 /nfs/dbraw/zinc/06/29/69/1080062969.db2.gz APYJENOGJPXQRT-UHFFFAOYSA-N 1 0 401.536 2.995 20 0 HFADRO C[C@]1(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806861735 1080063847 /nfs/dbraw/zinc/06/38/47/1080063847.db2.gz ROHXACZCEPOCJR-HRAATJIYSA-N 1 0 405.926 2.983 20 0 HFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806923460 1080091559 /nfs/dbraw/zinc/09/15/59/1080091559.db2.gz KRZBEFDWRPIFHR-LJQANCHMSA-N 1 0 409.530 2.833 20 0 HFADRO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000806924152 1080093374 /nfs/dbraw/zinc/09/33/74/1080093374.db2.gz RDTBBGNJDOVUNY-GOSISDBHSA-N 1 0 409.530 2.976 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000806908212 1080115218 /nfs/dbraw/zinc/11/52/18/1080115218.db2.gz ZQLPXPSKMCVSTF-VQIMIIECSA-N 1 0 400.589 2.514 20 0 HFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000806947811 1080156555 /nfs/dbraw/zinc/15/65/55/1080156555.db2.gz NRCUPTGCPDQOOO-INIZCTEOSA-N 1 0 410.518 2.589 20 0 HFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807006875 1080184212 /nfs/dbraw/zinc/18/42/12/1080184212.db2.gz WWPSGCHQNNAPOT-GOSISDBHSA-N 1 0 409.530 2.976 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NCc2cn(-c3ccccc3)nn2)c1-c1ccccc1 ZINC000807036526 1080226919 /nfs/dbraw/zinc/22/69/19/1080226919.db2.gz IKVCJGKNAWNUEP-UHFFFAOYSA-N 1 0 415.501 2.622 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)c3nccs3)cc2)CC1 ZINC000807047325 1080231659 /nfs/dbraw/zinc/23/16/59/1080231659.db2.gz WYVFLMIOPNHYIU-UHFFFAOYSA-N 1 0 415.563 2.664 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807053576 1080236933 /nfs/dbraw/zinc/23/69/33/1080236933.db2.gz ALHIWUNCXHNOGR-JDFRZJQESA-N 1 0 415.962 2.846 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807053575 1080237023 /nfs/dbraw/zinc/23/70/23/1080237023.db2.gz ALHIWUNCXHNOGR-DXCKQFNASA-N 1 0 415.962 2.846 20 0 HFADRO CSCC[C@@H](C)NC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000807055386 1080238730 /nfs/dbraw/zinc/23/87/30/1080238730.db2.gz UFFPNGIEUQLZMG-DOMZBBRYSA-N 1 0 405.486 2.682 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807067830 1080249492 /nfs/dbraw/zinc/24/94/92/1080249492.db2.gz AJGPQUZLEMMDPG-HXUWFJFHSA-N 1 0 417.554 2.997 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000807089654 1080268294 /nfs/dbraw/zinc/26/82/94/1080268294.db2.gz JFTFVKAITDQHMP-JOCHJYFZSA-N 1 0 413.562 2.605 20 0 HFADRO CC(C)(CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)C[NH+]1CCCC1 ZINC000807090779 1080269213 /nfs/dbraw/zinc/26/92/13/1080269213.db2.gz ZEUOFWREHJOLAT-FQEVSTJZSA-N 1 0 401.551 2.509 20 0 HFADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C1 ZINC001130840984 1080269780 /nfs/dbraw/zinc/26/97/80/1080269780.db2.gz ZAYAEKGICYBNOP-INIZCTEOSA-N 1 0 419.547 2.880 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000807093973 1080272736 /nfs/dbraw/zinc/27/27/36/1080272736.db2.gz RIHNZONPIDSNIA-LBTNJELSSA-N 1 0 405.461 2.776 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000807112659 1080289854 /nfs/dbraw/zinc/28/98/54/1080289854.db2.gz ACVAVLQGFCNZBG-LPHOPBHVSA-N 1 0 414.937 2.720 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000807114415 1080291979 /nfs/dbraw/zinc/29/19/79/1080291979.db2.gz MJDJAXCSCFDCCS-XQTRSNPVSA-N 1 0 424.545 2.919 20 0 HFADRO C[C@@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807117164 1080293390 /nfs/dbraw/zinc/29/33/90/1080293390.db2.gz UWRFZIZTNCQJKH-QAPCUYQASA-N 1 0 417.554 2.663 20 0 HFADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000807147298 1080302787 /nfs/dbraw/zinc/30/27/87/1080302787.db2.gz CVESBHXCXCSGHV-VGOFRKELSA-N 1 0 407.555 2.707 20 0 HFADRO CNC(=O)c1cncc(/C=C\C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000805276939 1080317603 /nfs/dbraw/zinc/31/76/03/1080317603.db2.gz LTRWXHCXMMSRPN-VNAOOCAESA-N 1 0 410.518 2.661 20 0 HFADRO NC(=O)c1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000807172611 1080327113 /nfs/dbraw/zinc/32/71/13/1080327113.db2.gz HUIQMYKAKHUSRS-UHFFFAOYSA-N 1 0 412.921 2.962 20 0 HFADRO CNC(=O)CC[C@@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807204115 1080350383 /nfs/dbraw/zinc/35/03/83/1080350383.db2.gz VSMOBODFIWLVMX-NZQKXSOJSA-N 1 0 400.567 2.989 20 0 HFADRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CC[N@@H+]2C2CC2)c1 ZINC000807205103 1080351699 /nfs/dbraw/zinc/35/16/99/1080351699.db2.gz AEYRYHVXQRWHSD-WMZOPIPTSA-N 1 0 414.893 2.550 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000807182007 1080374681 /nfs/dbraw/zinc/37/46/81/1080374681.db2.gz WBVGVYCQUDRFGY-KNQAVFIVSA-N 1 0 403.567 2.951 20 0 HFADRO COCC1(CNC(=O)N2CC[NH+](C3CCC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268773 1080422008 /nfs/dbraw/zinc/42/20/08/1080422008.db2.gz UJEFQTIMBVHXSM-UHFFFAOYSA-N 1 0 424.586 2.530 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001130895430 1080431782 /nfs/dbraw/zinc/43/17/82/1080431782.db2.gz PKKNWHKYYILZJR-AWEZNQCLSA-N 1 0 415.987 2.973 20 0 HFADRO CCOC(=O)C1=C(Nc2cc(Br)cc3c2N(C(C)=O)CC3)CC[NH2+]C1 ZINC001170521940 1080485756 /nfs/dbraw/zinc/48/57/56/1080485756.db2.gz QGRPSZJWOKSAID-UHFFFAOYSA-N 1 0 408.296 2.581 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1)c1ccco1 ZINC000807310690 1080504813 /nfs/dbraw/zinc/50/48/13/1080504813.db2.gz QBBHERSQDORRRL-MLGOLLRUSA-N 1 0 421.881 2.904 20 0 HFADRO CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000747390150 1080508073 /nfs/dbraw/zinc/50/80/73/1080508073.db2.gz MNWJGGLQPYFWRQ-UHFFFAOYSA-N 1 0 414.897 2.597 20 0 HFADRO COCc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355172 1080516368 /nfs/dbraw/zinc/51/63/68/1080516368.db2.gz ODTWCAOSQAVINW-DEOSSOPVSA-N 1 0 407.514 2.896 20 0 HFADRO CN(C)c1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355747 1080517647 /nfs/dbraw/zinc/51/76/47/1080517647.db2.gz YCKKWYRTFZYZAF-DEOSSOPVSA-N 1 0 406.530 2.816 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc(NC(=O)OC)c1C ZINC000807357811 1080519206 /nfs/dbraw/zinc/51/92/06/1080519206.db2.gz IPMPMFZFIKIKPT-UHFFFAOYSA-N 1 0 404.511 2.836 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(NC(C)=O)c(F)cc1F ZINC000807357647 1080519661 /nfs/dbraw/zinc/51/96/61/1080519661.db2.gz GXVNDZKMRRYJCG-UHFFFAOYSA-N 1 0 410.465 2.586 20 0 HFADRO CCOC(=O)C1=C(Nc2ccnn(CC3CC3)c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001170522167 1080519896 /nfs/dbraw/zinc/51/98/96/1080519896.db2.gz AWZAWMHLMUBMRC-UHFFFAOYSA-N 1 0 408.502 2.788 20 0 HFADRO CON(CC(C)(C)C)C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000807360664 1080522736 /nfs/dbraw/zinc/52/27/36/1080522736.db2.gz RDQYFRVCIQMRCR-UHFFFAOYSA-N 1 0 402.539 2.593 20 0 HFADRO Cc1ccc([C@H](O)[C@@H](C)NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000807348438 1080555069 /nfs/dbraw/zinc/55/50/69/1080555069.db2.gz VMIDMLCXIYFSGY-DYESRHJHSA-N 1 0 413.518 2.502 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2cccc(NC(=O)OC)c2)cc1 ZINC000807364846 1080565370 /nfs/dbraw/zinc/56/53/70/1080565370.db2.gz BMUWKBILULNCKG-UHFFFAOYSA-N 1 0 412.490 2.962 20 0 HFADRO C[S@](=O)c1c[nH]c2ncnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c12 ZINC001170523643 1080593151 /nfs/dbraw/zinc/59/31/51/1080593151.db2.gz AFLYTIHMZKSKKI-PMERELPUSA-N 1 0 422.558 2.605 20 0 HFADRO COc1cc(OC)cc([C@H](O)CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000807400014 1080595080 /nfs/dbraw/zinc/59/50/80/1080595080.db2.gz WFFGYWOLVOFRHN-RVHYNSKXSA-N 1 0 401.507 2.728 20 0 HFADRO Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000807413342 1080608841 /nfs/dbraw/zinc/60/88/41/1080608841.db2.gz KVDTWVCANHSDAD-UHFFFAOYSA-N 1 0 423.311 2.665 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807453292 1080632751 /nfs/dbraw/zinc/63/27/51/1080632751.db2.gz JDWAALYZIOKAFI-KSSFIOAISA-N 1 0 406.477 2.589 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807453537 1080634676 /nfs/dbraw/zinc/63/46/76/1080634676.db2.gz OJXFTNXNWKJLFE-BEFAXECRSA-N 1 0 420.504 2.979 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1)c1ccco1 ZINC000807441701 1080663486 /nfs/dbraw/zinc/66/34/86/1080663486.db2.gz NDIXLIHPQUGVSC-BSDSXHPESA-N 1 0 405.495 2.836 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000807443999 1080664769 /nfs/dbraw/zinc/66/47/69/1080664769.db2.gz XKYPJNVZGWJKMG-BBWFWOEESA-N 1 0 424.542 2.644 20 0 HFADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC(F)(F)Br)cc2)C1 ZINC000807446147 1080666812 /nfs/dbraw/zinc/66/68/12/1080666812.db2.gz HZSSKAGLJRYOAP-LBPRGKRZSA-N 1 0 418.282 2.961 20 0 HFADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000807484549 1080667547 /nfs/dbraw/zinc/66/75/47/1080667547.db2.gz GYLNWQDYAMTLNV-QGZVFWFLSA-N 1 0 400.910 2.864 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)c1ccc(F)cc1 ZINC000807486428 1080668114 /nfs/dbraw/zinc/66/81/14/1080668114.db2.gz HTNWALAQFHFQLO-KRWDZBQOSA-N 1 0 413.428 2.508 20 0 HFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[NH+](C)C ZINC000807492103 1080681078 /nfs/dbraw/zinc/68/10/78/1080681078.db2.gz LGKJEYKCXZATDS-FZKQIMNGSA-N 1 0 409.939 2.717 20 0 HFADRO C[C@H]1CCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000807496494 1080692614 /nfs/dbraw/zinc/69/26/14/1080692614.db2.gz KTLVFBUWEFVYIF-NBGIEHNGSA-N 1 0 423.557 2.523 20 0 HFADRO CCN(C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807502147 1080699884 /nfs/dbraw/zinc/69/98/84/1080699884.db2.gz ZEGATIFBBOVFON-WIOPSUGQSA-N 1 0 423.557 2.523 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)N[C@@H](CCO)Cc2ccccc2)c1-c1ccccc1 ZINC000807475846 1080727928 /nfs/dbraw/zinc/72/79/28/1080727928.db2.gz QBJCWYVLQZKEBJ-NRFANRHFSA-N 1 0 406.530 2.835 20 0 HFADRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)Nc3ccc(C4(O)COC4)cc3)cc2)C1 ZINC000807532108 1080745016 /nfs/dbraw/zinc/74/50/16/1080745016.db2.gz WHWHDUKRHBDICX-KRWDZBQOSA-N 1 0 423.513 2.714 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000807544740 1080761480 /nfs/dbraw/zinc/76/14/80/1080761480.db2.gz ZWCDEJFDHURVDB-BEFAXECRSA-N 1 0 410.474 2.583 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807547008 1080762917 /nfs/dbraw/zinc/76/29/17/1080762917.db2.gz VKSRMJXREMJHMG-VJBMBRPKSA-N 1 0 423.557 2.514 20 0 HFADRO COC[C@@]1(CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807551644 1080768086 /nfs/dbraw/zinc/76/80/86/1080768086.db2.gz XSVPDTRRFKJOIW-UWJYYQICSA-N 1 0 412.575 2.575 20 0 HFADRO Cc1cccc(F)c1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000807520561 1080773810 /nfs/dbraw/zinc/77/38/10/1080773810.db2.gz ILMBLYSCTRMJBN-UHFFFAOYSA-N 1 0 407.436 2.619 20 0 HFADRO COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC000807577125 1080788430 /nfs/dbraw/zinc/78/84/30/1080788430.db2.gz DMFITOLJYWXOKK-WMZOPIPTSA-N 1 0 420.554 2.949 20 0 HFADRO CCOC(=O)N[C@H]1CCCN(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000807590039 1080788534 /nfs/dbraw/zinc/78/85/34/1080788534.db2.gz ZYWZCYRNPHMGGS-AZUAARDMSA-N 1 0 420.554 2.997 20 0 HFADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)COCc3ccccn3)CC2)c1C ZINC000807583219 1080795045 /nfs/dbraw/zinc/79/50/45/1080795045.db2.gz NGPNGFUBRODNJW-UHFFFAOYSA-N 1 0 412.534 2.742 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000807554131 1080803890 /nfs/dbraw/zinc/80/38/90/1080803890.db2.gz BTTXUSVFFNLDMS-IUDNXUCKSA-N 1 0 413.440 2.896 20 0 HFADRO COC[C@@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000807554637 1080805561 /nfs/dbraw/zinc/80/55/61/1080805561.db2.gz YPKNCUMKKXEXIJ-QOPFVKLFSA-N 1 0 424.586 2.669 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000807558718 1080813133 /nfs/dbraw/zinc/81/31/33/1080813133.db2.gz GBXNYOPIJLITSJ-INIZCTEOSA-N 1 0 402.926 2.686 20 0 HFADRO Cn1cc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)c(I)n1 ZINC001179396459 1126152262 /nfs/dbraw/zinc/15/22/62/1126152262.db2.gz GMSRCWXTWDDWTR-OAHLLOKOSA-N 1 0 419.694 2.761 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(OC)c3c(c2)OCCO3)cc1OC ZINC001203581575 1126159040 /nfs/dbraw/zinc/15/90/40/1126159040.db2.gz PKXBSACYUCVMTC-QFIPXVFZSA-N 1 0 403.475 2.567 20 0 HFADRO CCOC(=O)Cn1cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c(-c2cccnc2)n1 ZINC001308804407 1126168281 /nfs/dbraw/zinc/16/82/81/1126168281.db2.gz SVMINAUTLMEXPO-QFIPXVFZSA-N 1 0 422.529 2.818 20 0 HFADRO O=c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)nc2sccn21 ZINC001473641453 1126198370 /nfs/dbraw/zinc/19/83/70/1126198370.db2.gz NZDFHFCTZBCEBN-SFHVURJKSA-N 1 0 420.332 2.528 20 0 HFADRO CN(C)Cc1cnc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001461634938 1126195423 /nfs/dbraw/zinc/19/54/23/1126195423.db2.gz SNFJUQPRYZENQU-SFHVURJKSA-N 1 0 410.381 2.977 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC001474698115 1126205204 /nfs/dbraw/zinc/20/52/04/1126205204.db2.gz LTNJRCLDGOEHHJ-OAQYLSRUSA-N 1 0 402.495 2.916 20 0 HFADRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+][C@@H](CO)Cc3ccc(F)cc3)on2)C1 ZINC001560798448 1126214123 /nfs/dbraw/zinc/21/41/23/1126214123.db2.gz HFPMLUXJIOBNTF-QGZVFWFLSA-N 1 0 405.470 2.841 20 0 HFADRO [NH3+]C1CC2(C1)CCN(c1ncccc1C(=O)N1CCN(Cc3ccccc3)CC1)CC2 ZINC001164387725 718801772 /nfs/dbraw/zinc/80/17/72/718801772.db2.gz NHTUSNOENRIROB-UHFFFAOYSA-N 1 0 419.573 2.747 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164434830 718967777 /nfs/dbraw/zinc/96/77/77/718967777.db2.gz WAUJSRTYEDCGAG-KBPBESRZSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164617790 719007563 /nfs/dbraw/zinc/00/75/63/719007563.db2.gz PUGDIHQEHZQZFR-KBXCAEBGSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164617792 719007702 /nfs/dbraw/zinc/00/77/02/719007702.db2.gz PUGDIHQEHZQZFR-KSSFIOAISA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nccnc1Cl)C2 ZINC001164616596 719010159 /nfs/dbraw/zinc/01/01/59/719010159.db2.gz LEKAFGJAUQIYGL-ACJLOTCBSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164614154 719014150 /nfs/dbraw/zinc/01/41/50/719014150.db2.gz DARXGWBDOYADTG-BIGNPOOSSA-N 1 0 414.815 2.697 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nccc(Cl)n3)CC2)CC1 ZINC001164613742 719022598 /nfs/dbraw/zinc/02/25/98/719022598.db2.gz BMNNAUOIZFQKNQ-UHFFFAOYSA-N 1 0 402.873 2.919 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3ccn4C)CC2)CC1 ZINC001164613723 719024435 /nfs/dbraw/zinc/02/44/35/719024435.db2.gz ANBBXPUPGZWLBB-UHFFFAOYSA-N 1 0 405.930 2.866 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)cc3C(OC)OC)CC2)CC1 ZINC001164617010 719030356 /nfs/dbraw/zinc/03/03/56/719030356.db2.gz INYZOQJNKSXZGF-UHFFFAOYSA-N 1 0 405.539 2.925 20 0 HFADRO CN1c2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2N2CCC[C@H]2C1=O ZINC001164629488 719079525 /nfs/dbraw/zinc/07/95/25/719079525.db2.gz XUAFIUHDNIHGSG-DYXWJJEUSA-N 1 0 418.545 2.523 20 0 HFADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1C ZINC001164618954 719122983 /nfs/dbraw/zinc/12/29/83/719122983.db2.gz APIVTCWHNBIWIJ-JKSUJKDBSA-N 1 0 419.570 2.654 20 0 HFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)C[C@H]21 ZINC001164671542 719411633 /nfs/dbraw/zinc/41/16/33/719411633.db2.gz QEQHRFBMCZIKMS-CVEARBPZSA-N 1 0 424.021 2.916 20 0 HFADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001164666449 719442031 /nfs/dbraw/zinc/44/20/31/719442031.db2.gz CLSCISJIEJEFEJ-IAGOWNOFSA-N 1 0 401.580 2.813 20 0 HFADRO COc1ccc2nc(Cl)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164684331 719601975 /nfs/dbraw/zinc/60/19/75/719601975.db2.gz OUCLAIHCLOUCRB-UHFFFAOYSA-N 1 0 400.914 2.963 20 0 HFADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2ncn3C(C)C)c2c1CC[NH2+]C2 ZINC001164681563 719630851 /nfs/dbraw/zinc/63/08/51/719630851.db2.gz ICMFRCHUNITDEF-UHFFFAOYSA-N 1 0 402.934 2.732 20 0 HFADRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc3c(Cl)ncnc3c2)c2c1CC[NH2+]C2 ZINC001164679726 719634412 /nfs/dbraw/zinc/63/44/12/719634412.db2.gz KOHIRKXPJXNVNQ-UHFFFAOYSA-N 1 0 421.883 2.958 20 0 HFADRO COC(=O)C[C@@H](c1ccnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1)C1CC1 ZINC001164680122 719636751 /nfs/dbraw/zinc/63/67/51/719636751.db2.gz OVUBMDFDKLOWHF-LJQANCHMSA-N 1 0 411.550 2.810 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164689906 719748739 /nfs/dbraw/zinc/74/87/39/719748739.db2.gz OIRPYAKRDFRADR-UHFFFAOYSA-N 1 0 401.461 2.603 20 0 HFADRO COC(=O)c1cc(OC)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695292 719889777 /nfs/dbraw/zinc/88/97/77/719889777.db2.gz LQYKISSCLWEMDJ-UHFFFAOYSA-N 1 0 417.531 2.810 20 0 HFADRO O=C1NCc2c1cc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697508 719894388 /nfs/dbraw/zinc/89/43/88/719894388.db2.gz KGCLFIDIGOTWEV-UHFFFAOYSA-N 1 0 418.950 2.911 20 0 HFADRO Cc1cn(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)cn1 ZINC001164698451 719895714 /nfs/dbraw/zinc/89/57/14/719895714.db2.gz TYFFALCSNUDCFJ-UHFFFAOYSA-N 1 0 410.547 2.904 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C)CC2 ZINC001164711537 720103463 /nfs/dbraw/zinc/10/34/63/720103463.db2.gz QQBXOTGLUJGJMF-IBGZPJMESA-N 1 0 406.534 2.871 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc3cc(OC)c(OC)cc3n1)C2 ZINC001164807036 720108920 /nfs/dbraw/zinc/10/89/20/720108920.db2.gz ANAWYHMUBUACED-UZUQRXQVSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3ncsc3n1)CC2 ZINC001164714286 720126441 /nfs/dbraw/zinc/12/64/41/720126441.db2.gz BLDKQOXERQGNOQ-KRWDZBQOSA-N 1 0 410.547 2.989 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3cnccc3cc1C(=O)OC)C2 ZINC001164816524 720126990 /nfs/dbraw/zinc/12/69/90/720126990.db2.gz ZUSMJNRBXWJVLP-WZONZLPQSA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)nc(-c3ccccc3)n1)C2 ZINC001164809629 720134316 /nfs/dbraw/zinc/13/43/16/720134316.db2.gz HSVDSCKWAGUUEG-WMZHIEFXSA-N 1 0 409.534 2.732 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3nc(SC)sc31)C2 ZINC001164809710 720146098 /nfs/dbraw/zinc/14/60/98/720146098.db2.gz IJUCCVHRTNGWLM-IFXJQAMLSA-N 1 0 405.593 2.993 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1nc(C)n3C)C2 ZINC001164819434 720158219 /nfs/dbraw/zinc/15/82/19/720158219.db2.gz XBBPTUAKNKDTFL-MGPUTAFESA-N 1 0 404.946 2.510 20 0 HFADRO Cn1nnc2c1CCN(c1ncc(Cl)cc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164712878 720167994 /nfs/dbraw/zinc/16/79/94/720167994.db2.gz HEGIXWARTJJLHH-INIZCTEOSA-N 1 0 411.337 2.733 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccccc3)nn1)CCC2 ZINC001164810213 720214408 /nfs/dbraw/zinc/21/44/08/720214408.db2.gz AMKQGOLVPLYGMR-UHFFFAOYSA-N 1 0 404.518 2.951 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)n2)CC1 ZINC001164818511 720284406 /nfs/dbraw/zinc/28/44/06/720284406.db2.gz LYUHTJOORLKSJL-LSDHHAIUSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CCC3)CC1 ZINC001164828291 720299122 /nfs/dbraw/zinc/29/91/22/720299122.db2.gz ZWLKLHHOPLZUCY-MSOLQXFVSA-N 1 0 403.958 2.530 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825902 720305228 /nfs/dbraw/zinc/30/52/28/720305228.db2.gz UJQHLLZBRUDJSC-VQTJNVASSA-N 1 0 409.534 2.550 20 0 HFADRO COc1ccc2cnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164820163 720309504 /nfs/dbraw/zinc/30/95/04/720309504.db2.gz GYDABEHYJMGPLD-NHCUHLMSSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ncccc3nc2Cl)CC1 ZINC001164831940 720316933 /nfs/dbraw/zinc/31/69/33/720316933.db2.gz SINHEXYWZKWAHE-IAGOWNOFSA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@H](F)Oc2cccc(Cl)n2)CC1 ZINC001164828444 720318442 /nfs/dbraw/zinc/31/84/42/720318442.db2.gz JMPSCVDYFORLES-QINHECLXSA-N 1 0 410.921 2.774 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(-c3cccnc3F)n2)CC1 ZINC001164825394 720329412 /nfs/dbraw/zinc/32/94/12/720329412.db2.gz DMPLPQKTHAVXFB-UXHICEINSA-N 1 0 424.524 2.589 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833980 720334540 /nfs/dbraw/zinc/33/45/40/720334540.db2.gz YJUOGPVZDVEMOL-GJZGRUSLSA-N 1 0 409.987 2.763 20 0 HFADRO CSc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(SC)n1 ZINC001164828286 720354132 /nfs/dbraw/zinc/35/41/32/720354132.db2.gz OBSXJOSNJLQQGV-CVEARBPZSA-N 1 0 421.636 2.832 20 0 HFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc-2n1 ZINC001164731049 720379107 /nfs/dbraw/zinc/37/91/07/720379107.db2.gz YKQPFASDHFQXOC-RBUKOAKNSA-N 1 0 407.474 2.606 20 0 HFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725821 720419245 /nfs/dbraw/zinc/41/92/45/720419245.db2.gz BAKIIIFFDWWEPG-WEPWYQGCSA-N 1 0 403.486 2.997 20 0 HFADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)C1=O ZINC001164726379 720426902 /nfs/dbraw/zinc/42/69/02/720426902.db2.gz BVMFOASFKHLGRK-DLBZAZTESA-N 1 0 412.925 2.742 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734463 720432691 /nfs/dbraw/zinc/43/26/91/720432691.db2.gz SFKNZKBPEWOWHZ-RTBURBONSA-N 1 0 409.538 2.509 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]21 ZINC001164840617 720506463 /nfs/dbraw/zinc/50/64/63/720506463.db2.gz WWOPXMGMPDEXAU-ONTIZHBOSA-N 1 0 422.577 2.892 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)C1 ZINC001164732565 720525676 /nfs/dbraw/zinc/52/56/76/720525676.db2.gz DWRNZEDGWUIFDU-INIZCTEOSA-N 1 0 416.957 2.756 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCC[C@@H]4COc4ccccn4)C3)n2)CC1 ZINC001164735820 720539311 /nfs/dbraw/zinc/53/93/11/720539311.db2.gz RUPHJUYAPSJHCI-YKSBVNFPSA-N 1 0 423.561 2.683 20 0 HFADRO O=C(c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1)N1CCCCC1 ZINC001164732947 720551257 /nfs/dbraw/zinc/55/12/57/720551257.db2.gz GIYINADNNWWXGF-UHFFFAOYSA-N 1 0 408.550 2.563 20 0 HFADRO CC(C)n1cnc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc21 ZINC001164837223 720608058 /nfs/dbraw/zinc/60/80/58/720608058.db2.gz HRGKTIIXEKXQEJ-CMKODMSKSA-N 1 0 408.554 2.982 20 0 HFADRO COC(=O)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1N ZINC001164844829 720678137 /nfs/dbraw/zinc/67/81/37/720678137.db2.gz VEQWYXCYSVKGDT-SFHVURJKSA-N 1 0 410.518 2.710 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CCCCC2 ZINC001164740628 720687836 /nfs/dbraw/zinc/68/78/36/720687836.db2.gz REFJJAXGGDAHKR-HUUCEWRRSA-N 1 0 400.914 2.531 20 0 HFADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843343 720695948 /nfs/dbraw/zinc/69/59/48/720695948.db2.gz OFQDNRDEOSAUOG-WMZOPIPTSA-N 1 0 407.518 2.792 20 0 HFADRO Clc1ncc(-c2ccccc2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737576 720701611 /nfs/dbraw/zinc/70/16/11/720701611.db2.gz GJBFLGKVYKCXTM-IRXDYDNUSA-N 1 0 408.893 2.929 20 0 HFADRO Cc1nc2c3ccccc3oc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739492 720726099 /nfs/dbraw/zinc/72/60/99/720726099.db2.gz IYABVENGAJURBR-HOTGVXAUSA-N 1 0 402.458 2.816 20 0 HFADRO Fc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164739428 720734309 /nfs/dbraw/zinc/73/43/09/720734309.db2.gz IOTYLPKFXAUJMZ-SJLPKXTDSA-N 1 0 408.437 2.540 20 0 HFADRO Cc1ccc(C)c(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164741147 720773729 /nfs/dbraw/zinc/77/37/29/720773729.db2.gz MJSXQVCMJXQPGQ-RTBURBONSA-N 1 0 402.502 2.892 20 0 HFADRO Fc1cc2ncc(Cl)nc2cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742907 720778060 /nfs/dbraw/zinc/77/80/60/720778060.db2.gz PIURJATZYRTHBU-OLZOCXBDSA-N 1 0 400.845 2.554 20 0 HFADRO Fc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164748303 720791689 /nfs/dbraw/zinc/79/16/89/720791689.db2.gz QNPKPPMBMQQWAK-UONOGXRCSA-N 1 0 400.845 2.554 20 0 HFADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164746698 720798590 /nfs/dbraw/zinc/79/85/90/720798590.db2.gz MQJYXACDJXPHPZ-OALUTQOASA-N 1 0 420.542 2.901 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747536 720800223 /nfs/dbraw/zinc/80/02/23/720800223.db2.gz OOTNTYYLUVPAJJ-IRXDYDNUSA-N 1 0 423.908 2.632 20 0 HFADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749277 720801676 /nfs/dbraw/zinc/80/16/76/720801676.db2.gz SXTWWNSCOLYWPK-MOPGFXCFSA-N 1 0 406.465 2.723 20 0 HFADRO Clc1ncnc2[nH]cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164745524 720814859 /nfs/dbraw/zinc/81/48/59/720814859.db2.gz KROJOIMNSWALLY-OWCLPIDISA-N 1 0 412.929 2.534 20 0 HFADRO Fc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752079 720815022 /nfs/dbraw/zinc/81/50/22/720815022.db2.gz YOBWCKPYXBVGNM-DJPFJPOOSA-N 1 0 407.497 2.740 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740293 720818704 /nfs/dbraw/zinc/81/87/04/720818704.db2.gz KBGWWJFCCMEIHB-BBTUJRGHSA-N 1 0 419.533 2.609 20 0 HFADRO Fc1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164738790 720824387 /nfs/dbraw/zinc/82/43/87/720824387.db2.gz GRLUQMSHCAVTGO-DJPFJPOOSA-N 1 0 407.497 2.740 20 0 HFADRO COc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164738362 720824936 /nfs/dbraw/zinc/82/49/36/720824936.db2.gz FBJGZRUTBADZAD-JFIYKMOQSA-N 1 0 402.930 2.715 20 0 HFADRO COc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164738364 720825153 /nfs/dbraw/zinc/82/51/53/720825153.db2.gz FBJGZRUTBADZAD-SOLBZPMBSA-N 1 0 402.930 2.715 20 0 HFADRO Cc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164738443 720831446 /nfs/dbraw/zinc/83/14/46/720831446.db2.gz FUESXBRMGZCFMM-SFHLNBCPSA-N 1 0 403.534 2.909 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744494 720831492 /nfs/dbraw/zinc/83/14/92/720831492.db2.gz URGGQPSQXJQYKJ-OWCLPIDISA-N 1 0 419.986 2.823 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1Cl ZINC001164751843 720841042 /nfs/dbraw/zinc/84/10/42/720841042.db2.gz ZDUHATVSYJFMHE-LZLYRXPVSA-N 1 0 402.930 2.715 20 0 HFADRO Fc1cnc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164745240 720842383 /nfs/dbraw/zinc/84/23/83/720842383.db2.gz NBFFSRRYOVTPLG-HGHGUNKESA-N 1 0 407.497 2.740 20 0 HFADRO FC(F)(c1nccnc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743623 720842879 /nfs/dbraw/zinc/84/28/79/720842879.db2.gz JQHFXFZMCLEYEX-HRCADAONSA-N 1 0 423.899 2.646 20 0 HFADRO Cc1csc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164741684 720843093 /nfs/dbraw/zinc/84/30/93/720843093.db2.gz FNLHQICGCZNXAL-KZNAEPCWSA-N 1 0 409.563 2.971 20 0 HFADRO COc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164744751 720849170 /nfs/dbraw/zinc/84/91/70/720849170.db2.gz LPBXQASSUNIXSI-QWFCFKBJSA-N 1 0 419.533 2.609 20 0 HFADRO c1coc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164751129 720851836 /nfs/dbraw/zinc/85/18/36/720851836.db2.gz QGEYEIJNTXMTHY-NLWGTHIKSA-N 1 0 405.506 2.708 20 0 HFADRO Cc1cc2cccnc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748868 720854262 /nfs/dbraw/zinc/85/42/62/720854262.db2.gz MTMKDBXNSMJYDQ-PCCBWWKXSA-N 1 0 403.534 2.909 20 0 HFADRO COc1ccnc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751158 720854696 /nfs/dbraw/zinc/85/46/96/720854696.db2.gz QMPGCVNHMSLMSU-BRWVUGGUSA-N 1 0 402.930 2.715 20 0 HFADRO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2C1 ZINC001164744609 720855426 /nfs/dbraw/zinc/85/54/26/720855426.db2.gz BXHNMKGDZCURLB-MOFCZTIZSA-N 1 0 407.566 2.572 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@@H]2C1 ZINC001164852009 720857840 /nfs/dbraw/zinc/85/78/40/720857840.db2.gz BOURMVXOALZPMU-CTNGQTDRSA-N 1 0 410.518 2.507 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@@H]2C1 ZINC001164859986 720872779 /nfs/dbraw/zinc/87/27/79/720872779.db2.gz NUDLUBPMYQQOQG-OCCSQVGLSA-N 1 0 412.321 2.505 20 0 HFADRO CN(C)c1nccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753854 720884351 /nfs/dbraw/zinc/88/43/51/720884351.db2.gz HIZVVQPZEOFUAQ-QPPBQGQZSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)cc(OCc4ccccc4)n3)CC[C@H]2C1 ZINC001164858572 720885335 /nfs/dbraw/zinc/88/53/35/720885335.db2.gz LFJCKYKCQWBVMH-LEWJYISDSA-N 1 0 412.534 2.538 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164748850 720950630 /nfs/dbraw/zinc/95/06/30/720950630.db2.gz DQYTYSOOAWZDRW-UHFFFAOYSA-N 1 0 417.872 2.869 20 0 HFADRO CC(C)c1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)cc(C(C)(C)C)n1 ZINC001164753653 720966367 /nfs/dbraw/zinc/96/63/67/720966367.db2.gz HACHCGJMNBUXPR-UHFFFAOYSA-N 1 0 414.554 2.740 20 0 HFADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncccc4S(N)(=O)=O)CC3)CC2)cc1 ZINC001164764728 721042452 /nfs/dbraw/zinc/04/24/52/721042452.db2.gz NQICSEALUXACLU-UHFFFAOYSA-N 1 0 414.575 2.920 20 0 HFADRO Fc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866095 721044594 /nfs/dbraw/zinc/04/45/94/721044594.db2.gz CSFLFLVQTSOXFC-UONOGXRCSA-N 1 0 402.861 2.625 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164762513 721071030 /nfs/dbraw/zinc/07/10/30/721071030.db2.gz FDHBFXMFBURIBS-RDJZCZTQSA-N 1 0 403.914 2.604 20 0 HFADRO COc1cc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164867371 721082443 /nfs/dbraw/zinc/08/24/43/721082443.db2.gz YEXIVFMABDLYHR-MSOLQXFVSA-N 1 0 421.501 2.522 20 0 HFADRO c1ccc(COc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864033 721086620 /nfs/dbraw/zinc/08/66/20/721086620.db2.gz DNPNUIGTRIOHJE-YADHBBJMSA-N 1 0 417.513 2.930 20 0 HFADRO CC(C)(C)OC(=O)c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865648 721087073 /nfs/dbraw/zinc/08/70/73/721087073.db2.gz NWDOVYSWAKSQNM-VQTJNVASSA-N 1 0 410.518 2.912 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@@H]3C2)cn1 ZINC001164763696 721087163 /nfs/dbraw/zinc/08/71/63/721087163.db2.gz GRIWMYBOSWYPJO-CABCVRRESA-N 1 0 404.971 2.611 20 0 HFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc(C)c2c1 ZINC001164864670 721103810 /nfs/dbraw/zinc/10/38/10/721103810.db2.gz GNUDMWMKGFOJHW-QUCCMNQESA-N 1 0 405.502 2.822 20 0 HFADRO CSc1nc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164863343 721116075 /nfs/dbraw/zinc/11/60/75/721116075.db2.gz BZHHWAQQQIXZSI-LSDHHAIUSA-N 1 0 414.560 2.683 20 0 HFADRO Nc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164879023 721132310 /nfs/dbraw/zinc/13/23/10/721132310.db2.gz RLCSTXVSHVRIAY-HOTGVXAUSA-N 1 0 409.868 2.737 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1OC ZINC001164873661 721134493 /nfs/dbraw/zinc/13/44/93/721134493.db2.gz JWHKUJQEBRRSNQ-HZPDHXFCSA-N 1 0 401.898 2.656 20 0 HFADRO Cc1nc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(Cl)c1C ZINC001164766519 721160343 /nfs/dbraw/zinc/16/03/43/721160343.db2.gz LVUTWZJGUHTVTB-HZPDHXFCSA-N 1 0 410.900 2.984 20 0 HFADRO c1ccc(Cc2nccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164880329 721160515 /nfs/dbraw/zinc/16/05/15/721160515.db2.gz VYUPBXJVGLFCPN-FCHUYYIVSA-N 1 0 401.514 2.942 20 0 HFADRO COc1cccc(Oc2cncc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164765089 721169523 /nfs/dbraw/zinc/16/95/23/721169523.db2.gz HRIWUMAQJDNHTM-RTBURBONSA-N 1 0 420.517 2.969 20 0 HFADRO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763409 721172607 /nfs/dbraw/zinc/17/26/07/721172607.db2.gz FVHHGPSHEUJJBL-HZPDHXFCSA-N 1 0 414.945 2.752 20 0 HFADRO c1cncc(CO[C@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@@H+]3C2)c1 ZINC001164877021 721175030 /nfs/dbraw/zinc/17/50/30/721175030.db2.gz NYRYRBCZNHKSTJ-PMACEKPBSA-N 1 0 418.501 2.884 20 0 HFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2)C1 ZINC001164769394 721196422 /nfs/dbraw/zinc/19/64/22/721196422.db2.gz MFFUUSJVAPAYIA-STZQEDGTSA-N 1 0 422.577 2.646 20 0 HFADRO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001164762014 721197465 /nfs/dbraw/zinc/19/74/65/721197465.db2.gz BWGUPPDVXOLJRH-LEWJYISDSA-N 1 0 422.577 2.646 20 0 HFADRO COc1ccccc1-c1ccnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761444 721209248 /nfs/dbraw/zinc/20/92/48/721209248.db2.gz BAHPIWODYGENPC-RTBURBONSA-N 1 0 404.518 2.844 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164770921 721209710 /nfs/dbraw/zinc/20/97/10/721209710.db2.gz PFMXOMYEDDAFDJ-RTBURBONSA-N 1 0 405.502 2.713 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164761902 721228924 /nfs/dbraw/zinc/22/89/24/721228924.db2.gz JZWGFWJBJBENGD-MOPGFXCFSA-N 1 0 414.517 2.507 20 0 HFADRO COc1cc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c(OC)c1 ZINC001164768088 721234276 /nfs/dbraw/zinc/23/42/76/721234276.db2.gz XVZICBHFMKWMEA-ROUUACIJSA-N 1 0 407.518 2.944 20 0 HFADRO Cc1cccc(N(c2ccc(CN3CCOCC3)cn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778036 721328732 /nfs/dbraw/zinc/32/87/32/721328732.db2.gz TUFFJUWPTMQRTR-VWNXMTODSA-N 1 0 408.546 2.881 20 0 HFADRO c1ccc(N(c2ccnc([C@@H]3COCCN3)n2)c2ncccc2C[NH+]2CCCC2)nc1 ZINC001164876261 721330446 /nfs/dbraw/zinc/33/04/46/721330446.db2.gz NEJIAGAEGRMVHB-IBGZPJMESA-N 1 0 417.517 2.993 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cccnc43)C2)C1 ZINC001164777737 721337761 /nfs/dbraw/zinc/33/77/61/721337761.db2.gz PWSZPPLUFZOIAQ-QFIPXVFZSA-N 1 0 408.506 2.749 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164888510 721385329 /nfs/dbraw/zinc/38/53/29/721385329.db2.gz JPXUIZBMLTUWMW-RDTXWAMCSA-N 1 0 400.354 2.549 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886336 721399754 /nfs/dbraw/zinc/39/97/54/721399754.db2.gz FGTQHXVPARTDOM-MGPUTAFESA-N 1 0 424.014 2.642 20 0 HFADRO CCOc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889915 721408960 /nfs/dbraw/zinc/40/89/60/721408960.db2.gz RVOVGLWRUZTXLG-UTKZUKDTSA-N 1 0 408.974 2.899 20 0 HFADRO Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2s1 ZINC001164889573 721428392 /nfs/dbraw/zinc/42/83/92/721428392.db2.gz BUILMXJXPHKTSK-LAUBAEHRSA-N 1 0 401.580 2.765 20 0 HFADRO CC(C)COc1cccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897780 721428700 /nfs/dbraw/zinc/42/87/00/721428700.db2.gz URUNZTGJWCOVIM-REWPJTCUSA-N 1 0 402.583 2.882 20 0 HFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896106 721432301 /nfs/dbraw/zinc/43/23/01/721432301.db2.gz QNGVIJNYBBHLAT-QPPBQGQZSA-N 1 0 422.577 2.612 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)ncn4)C3)O2)CC1 ZINC001164896420 721432625 /nfs/dbraw/zinc/43/26/25/721432625.db2.gz RIHAZNBWEHNYNW-QPPBQGQZSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898417 721438864 /nfs/dbraw/zinc/43/88/64/721438864.db2.gz VYOAQPOURFOFJD-XXBNENTESA-N 1 0 401.599 2.848 20 0 HFADRO CCCSc1cncc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893689 721439998 /nfs/dbraw/zinc/43/99/98/721439998.db2.gz JYUSHUCPSNRPDL-NQIIRXRSSA-N 1 0 405.612 2.744 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164896715 721440703 /nfs/dbraw/zinc/44/07/03/721440703.db2.gz RUVAPWGOCJIISZ-ZJSXRUAMSA-N 1 0 422.577 2.612 20 0 HFADRO CCOc1ccc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nn1 ZINC001164787702 721451287 /nfs/dbraw/zinc/45/12/87/721451287.db2.gz PRNVVALCKGTLGD-LJQANCHMSA-N 1 0 404.555 2.609 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(SC)ncn1)CC2 ZINC001164790427 721453548 /nfs/dbraw/zinc/45/35/48/721453548.db2.gz YZHGZULBDFCRGE-SFHVURJKSA-N 1 0 406.596 2.932 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164892804 721453616 /nfs/dbraw/zinc/45/36/16/721453616.db2.gz YHTWZURRMXIGDG-NTKDMRAZSA-N 1 0 424.593 2.991 20 0 HFADRO CCOc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncn1 ZINC001164790598 721467559 /nfs/dbraw/zinc/46/75/59/721467559.db2.gz RVDXFPCTYIWAGV-IBGZPJMESA-N 1 0 404.555 2.609 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3c(nn1)CCC3)CC2 ZINC001164791239 721470965 /nfs/dbraw/zinc/47/09/65/721470965.db2.gz VSLZVBXRLZXKAP-FQEVSTJZSA-N 1 0 400.567 2.699 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164797035 721503931 /nfs/dbraw/zinc/50/39/31/721503931.db2.gz XUBZPHANYDNVRJ-UHFFFAOYSA-N 1 0 410.547 2.797 20 0 HFADRO Cc1nc(C2CCCCC2)cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164797841 721518041 /nfs/dbraw/zinc/51/80/41/721518041.db2.gz OTULILYZVKMTNW-UHFFFAOYSA-N 1 0 409.582 2.797 20 0 HFADRO Cc1cc(-c2ccccc2F)nnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164796565 721521985 /nfs/dbraw/zinc/52/19/85/721521985.db2.gz ZUULSYDIBCDANS-UHFFFAOYSA-N 1 0 421.524 2.555 20 0 HFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903422 721540744 /nfs/dbraw/zinc/54/07/44/721540744.db2.gz CLEWJYVAGMOJGQ-WMZOPIPTSA-N 1 0 414.481 2.913 20 0 HFADRO COC(=O)c1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1Cl ZINC001164806622 721552233 /nfs/dbraw/zinc/55/22/33/721552233.db2.gz PIGIVJNNFAEYMV-FUHIMQAGSA-N 1 0 416.909 2.785 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C)cn2)[C@H]2CCCO[C@@H]12 ZINC001164807910 721555175 /nfs/dbraw/zinc/55/51/75/721555175.db2.gz UAXKBUWLRFDRMY-TUNNFDKTSA-N 1 0 423.561 2.873 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164801392 721569159 /nfs/dbraw/zinc/56/91/59/721569159.db2.gz GLZQBQDOKPRWCL-TUNNFDKTSA-N 1 0 423.561 2.873 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164803941 721576102 /nfs/dbraw/zinc/57/61/02/721576102.db2.gz JWNYKBQEFPXFHD-TXTKFYIRSA-N 1 0 408.550 2.730 20 0 HFADRO NC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164904764 721586209 /nfs/dbraw/zinc/58/62/09/721586209.db2.gz GEZUKXZWXAWQCX-LJQANCHMSA-N 1 0 421.879 2.967 20 0 HFADRO CCOC(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164906538 721691819 /nfs/dbraw/zinc/69/18/19/721691819.db2.gz NIQLMHXOSXRFHY-FQEVSTJZSA-N 1 0 417.460 2.786 20 0 HFADRO CCOC(=O)c1c[nH]c2cc(N3CCCn4c(CN(C)C(C)C)nnc4C3)[nH+]cc21 ZINC001165009085 721711113 /nfs/dbraw/zinc/71/11/13/721711113.db2.gz PANHATDSNHFCCQ-UHFFFAOYSA-N 1 0 411.510 2.582 20 0 HFADRO FC1(F)CCN(c2cc3c(nn2)CCOC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913116 721733213 /nfs/dbraw/zinc/73/32/13/721733213.db2.gz TUTMUHQWSYTTHZ-HXUWFJFHSA-N 1 0 401.461 2.682 20 0 HFADRO CCCN(CCC)c1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ncn1 ZINC001165010373 721741189 /nfs/dbraw/zinc/74/11/89/721741189.db2.gz LYUGBIYWBMXFPW-UHFFFAOYSA-N 1 0 402.587 2.626 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc(F)c(-c3ccsc3)n2)CC1 ZINC001165012699 721749526 /nfs/dbraw/zinc/74/95/26/721749526.db2.gz MDMCFSZLOKWNOX-UHFFFAOYSA-N 1 0 403.527 2.867 20 0 HFADRO CCc1nc(Cl)nc(Cl)c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165012188 721749690 /nfs/dbraw/zinc/74/96/90/721749690.db2.gz BPHDICICUYEVNS-UHFFFAOYSA-N 1 0 400.354 2.869 20 0 HFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026355 721803854 /nfs/dbraw/zinc/80/38/54/721803854.db2.gz QYXKCQAIYIRMOS-CVAIRZPRSA-N 1 0 420.517 2.828 20 0 HFADRO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CCN2C ZINC001164918230 721821594 /nfs/dbraw/zinc/82/15/94/721821594.db2.gz DKIWYHRPJTUZOB-UHFFFAOYSA-N 1 0 412.872 2.630 20 0 HFADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(OC(C)C)cc[nH+]4)CCO3)C2)cs1 ZINC001164920376 721829082 /nfs/dbraw/zinc/82/90/82/721829082.db2.gz CQIZSTDYDZVOOD-NRFANRHFSA-N 1 0 418.563 2.742 20 0 HFADRO CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024730 721831355 /nfs/dbraw/zinc/83/13/55/721831355.db2.gz LAFHSVFAIXSSCM-QILLFSRXSA-N 1 0 414.941 2.622 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C(N)=O)c(Cl)cn2)CC1 ZINC001165021280 721838713 /nfs/dbraw/zinc/83/87/13/721838713.db2.gz KOGOXSFCHZJFAL-UHFFFAOYSA-N 1 0 418.925 2.952 20 0 HFADRO COc1cc2nc(Cl)c(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nc2cc1OC ZINC001164922432 721865271 /nfs/dbraw/zinc/86/52/71/721865271.db2.gz GVIPGAYCRKBMRZ-HOTGVXAUSA-N 1 0 405.930 2.515 20 0 HFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932336 721877937 /nfs/dbraw/zinc/87/79/37/721877937.db2.gz IUUCDCCRLMGJPZ-HZPDHXFCSA-N 1 0 417.579 2.699 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936349 721887978 /nfs/dbraw/zinc/88/79/78/721887978.db2.gz ZPSBKFLRULFQQI-RBUKOAKNSA-N 1 0 401.942 2.924 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1c(Cl)nnc(Cl)c1N1CCCCC1 ZINC001164932785 721890924 /nfs/dbraw/zinc/89/09/24/721890924.db2.gz IHMRMCUYCIGXBA-GJZGRUSLSA-N 1 0 413.397 2.988 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4[C@@H](C)C(=O)N5)CC3)C2)cc1 ZINC001164938980 721927112 /nfs/dbraw/zinc/92/71/12/721927112.db2.gz FTPBQJOMDSABNF-QGZVFWFLSA-N 1 0 407.518 2.712 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-n5ccnc5)nn4)CC3)C2)cc1 ZINC001164939548 721928029 /nfs/dbraw/zinc/92/80/29/721928029.db2.gz MHCLVSIQJOFHAA-UHFFFAOYSA-N 1 0 404.518 2.842 20 0 HFADRO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(C)c1 ZINC001164964583 722054278 /nfs/dbraw/zinc/05/42/78/722054278.db2.gz VUBSOILTMJEBNG-UHFFFAOYSA-N 1 0 410.518 2.691 20 0 HFADRO c1cc(C[N@H+]2CCOCC3(CCN(c4cc(OCC5CC5)ncn4)CC3)C2)ccn1 ZINC001164964889 722057137 /nfs/dbraw/zinc/05/71/37/722057137.db2.gz ZDFMEQWTJCIFND-UHFFFAOYSA-N 1 0 409.534 2.779 20 0 HFADRO COC(=O)c1cc(C)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963991 722057434 /nfs/dbraw/zinc/05/74/34/722057434.db2.gz QLZXUFWQZVHLIK-UHFFFAOYSA-N 1 0 410.518 2.691 20 0 HFADRO CCCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961524 722059780 /nfs/dbraw/zinc/05/97/80/722059780.db2.gz LEZVAWRJOFFMLO-UHFFFAOYSA-N 1 0 423.561 2.735 20 0 HFADRO F[C@@H](Oc1ccc(Cl)nn1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164965837 722062415 /nfs/dbraw/zinc/06/24/15/722062415.db2.gz LVSZVHJQVIRZCJ-LJQANCHMSA-N 1 0 421.904 2.772 20 0 HFADRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978205 722098977 /nfs/dbraw/zinc/09/89/77/722098977.db2.gz GESKSEBFPUUXLC-LEWJYISDSA-N 1 0 408.550 2.508 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977257 722099041 /nfs/dbraw/zinc/09/90/41/722099041.db2.gz FKGVRFONTDBLIA-TZIWHRDSSA-N 1 0 410.518 2.689 20 0 HFADRO COC(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974561 722099952 /nfs/dbraw/zinc/09/99/52/722099952.db2.gz AGOFBYFIXNDYFU-FUHWJXTLSA-N 1 0 416.909 2.644 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983442 722105815 /nfs/dbraw/zinc/10/58/15/722105815.db2.gz QDUDMQVIWJMTKT-FPOVZHCZSA-N 1 0 410.518 2.689 20 0 HFADRO COC(=O)c1cc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983360 722106161 /nfs/dbraw/zinc/10/61/61/722106161.db2.gz PQMPOTMKZQIIAY-VQIMIIECSA-N 1 0 416.909 2.644 20 0 HFADRO COc1cccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985186 722106226 /nfs/dbraw/zinc/10/62/26/722106226.db2.gz VGQFSGKPAWTERB-WIYYLYMNSA-N 1 0 405.502 2.761 20 0 HFADRO COC(=O)c1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164983133 722115107 /nfs/dbraw/zinc/11/51/07/722115107.db2.gz YJNIHHSTUOJBCB-AEFFLSMTSA-N 1 0 416.909 2.644 20 0 HFADRO CCOc1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981791 722123190 /nfs/dbraw/zinc/12/31/90/722123190.db2.gz VEHGVNZPKHSSCY-SJORKVTESA-N 1 0 403.914 2.651 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164972706 722128671 /nfs/dbraw/zinc/12/86/71/722128671.db2.gz AIBJWLJPOQOBHQ-SFTDATJTSA-N 1 0 408.550 2.589 20 0 HFADRO Cc1noc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164982682 722145262 /nfs/dbraw/zinc/14/52/62/722145262.db2.gz RYCDOIQDYDIRNZ-WOJBJXKFSA-N 1 0 406.490 2.562 20 0 HFADRO [O-][n+]1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1Cl ZINC001164976218 722157241 /nfs/dbraw/zinc/15/72/41/722157241.db2.gz UZTNZMUTTUAHGS-WMZOPIPTSA-N 1 0 424.879 2.641 20 0 HFADRO C[NH+]1CCN(c2ccc(N3CCC[C@@]4(C[C@@H](OCC5CCCC5)CO4)C3)nn2)CC1 ZINC001164975959 722163681 /nfs/dbraw/zinc/16/36/81/722163681.db2.gz ASCWMDMUIPVCBS-NFBKMPQASA-N 1 0 415.582 2.563 20 0 HFADRO COc1ccccc1-c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nn1 ZINC001165003796 722256369 /nfs/dbraw/zinc/25/63/69/722256369.db2.gz HXODTRHJVZZMSL-UHFFFAOYSA-N 1 0 422.533 2.837 20 0 HFADRO C[NH+]1CCN(c2ccc(N3CC[C@H](OCC4CC4)[C@@H]3Cc3ccccc3)nn2)CC1 ZINC001165005933 722271328 /nfs/dbraw/zinc/27/13/28/722271328.db2.gz KMBDBFKQHYMDIQ-VXKWHMMOSA-N 1 0 407.562 2.845 20 0 HFADRO C[NH+]1CCN(c2ccc(N3CC[C@@H](OCC4CC4)[C@H]3Cc3ccccc3)nn2)CC1 ZINC001165005931 722271360 /nfs/dbraw/zinc/27/13/60/722271360.db2.gz KMBDBFKQHYMDIQ-FGZHOGPDSA-N 1 0 407.562 2.845 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792994736 1078043544 /nfs/dbraw/zinc/04/35/44/1078043544.db2.gz GOTDDMNSOMHKJE-HNNXBMFYSA-N 1 0 417.307 2.516 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000793000850 1078045152 /nfs/dbraw/zinc/04/51/52/1078045152.db2.gz ZFANFKYPQPVKOR-UHFFFAOYSA-N 1 0 409.328 2.696 20 0 HFADRO COCCN1[C@H]2CC[N@@H+]([C@@H]3CC[C@@H](C)C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001170139016 1078049380 /nfs/dbraw/zinc/04/93/80/1078049380.db2.gz TVGSIFWRMWJHFU-YRXWBPOGSA-N 1 0 408.564 2.738 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(Cl)n3)c(C)c2)CC1 ZINC000793034560 1078052555 /nfs/dbraw/zinc/05/25/55/1078052555.db2.gz HEUUAVMVWUZCCJ-UHFFFAOYSA-N 1 0 401.898 2.763 20 0 HFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790533376 1078052799 /nfs/dbraw/zinc/05/27/99/1078052799.db2.gz NHNWMALNJZJVJO-IBGZPJMESA-N 1 0 403.958 2.617 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793042659 1078054375 /nfs/dbraw/zinc/05/43/75/1078054375.db2.gz PWVHDAHFJLEWDK-MRXNPFEDSA-N 1 0 401.898 2.582 20 0 HFADRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000793069037 1078061990 /nfs/dbraw/zinc/06/19/90/1078061990.db2.gz VECKWFXPBZKBOS-CQSZACIVSA-N 1 0 409.328 2.696 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCSC1 ZINC000793079466 1078063559 /nfs/dbraw/zinc/06/35/59/1078063559.db2.gz XVOBONNNBWKINO-SFTDATJTSA-N 1 0 420.579 2.524 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000790598987 1078064023 /nfs/dbraw/zinc/06/40/23/1078064023.db2.gz GDGBPGCWHVEXRZ-KRWDZBQOSA-N 1 0 418.488 2.689 20 0 HFADRO Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(N4C(=O)N[C@](C)(C5CC5)C4=O)cc3)cc12 ZINC000790605273 1078065417 /nfs/dbraw/zinc/06/54/17/1078065417.db2.gz BERARPGZNZYLFX-HSZRJFAPSA-N 1 0 418.501 2.791 20 0 HFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793092593 1078067112 /nfs/dbraw/zinc/06/71/12/1078067112.db2.gz FXBGMUWFKNHISX-MAUKXSAKSA-N 1 0 414.333 2.738 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC001170426363 1078084573 /nfs/dbraw/zinc/08/45/73/1078084573.db2.gz RFRGXPBIKBRHQV-OALUTQOASA-N 1 0 412.486 2.704 20 0 HFADRO CS(=O)(=O)CCCOc1cccc2c1CC[C@@H]2OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793163736 1078085437 /nfs/dbraw/zinc/08/54/37/1078085437.db2.gz QMDITQDPBGCKPH-FQEVSTJZSA-N 1 0 414.483 2.992 20 0 HFADRO C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)ccn2)CC1 ZINC000790672223 1078085897 /nfs/dbraw/zinc/08/58/97/1078085897.db2.gz XCTCWKLDBWSMFR-QAPCUYQASA-N 1 0 412.365 2.559 20 0 HFADRO COc1cc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc(Br)c1OC ZINC000793145562 1078089852 /nfs/dbraw/zinc/08/98/52/1078089852.db2.gz DLXXMYJBOFECPU-CQSZACIVSA-N 1 0 416.312 2.980 20 0 HFADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000790697716 1078099354 /nfs/dbraw/zinc/09/93/54/1078099354.db2.gz NJTCSAYRIHPQHN-QAPCUYQASA-N 1 0 412.365 2.559 20 0 HFADRO Cc1ccc(N2C(=O)C(=O)N(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000772829082 1078099976 /nfs/dbraw/zinc/09/99/76/1078099976.db2.gz RBNJZAJONBRCGL-PXNSSMCTSA-N 1 0 410.518 2.505 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000793234838 1078102984 /nfs/dbraw/zinc/10/29/84/1078102984.db2.gz KWSXUPDWXQFXFK-FCHUYYIVSA-N 1 0 400.567 2.751 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000793212022 1078107774 /nfs/dbraw/zinc/10/77/74/1078107774.db2.gz DFDZCJCPQHVPME-GOSISDBHSA-N 1 0 402.926 2.761 20 0 HFADRO CCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)[C@@H](O)c1ccccc1 ZINC000793238045 1078108052 /nfs/dbraw/zinc/10/80/52/1078108052.db2.gz HVLPKQOJKCDQQV-PMACEKPBSA-N 1 0 420.579 2.672 20 0 HFADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000793264574 1078113393 /nfs/dbraw/zinc/11/33/93/1078113393.db2.gz BPTVICVOICSJPG-OAHLLOKOSA-N 1 0 412.328 2.965 20 0 HFADRO C[C@@H](NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nnnn1C1CC1 ZINC000790724488 1078115249 /nfs/dbraw/zinc/11/52/49/1078115249.db2.gz QVECARFJERJARC-MRXNPFEDSA-N 1 0 405.506 2.750 20 0 HFADRO O=C(NC[C@H](O)COc1cccc(F)c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000747110570 1078115996 /nfs/dbraw/zinc/11/59/96/1078115996.db2.gz JJRXBQOJPAPIJZ-SFHVURJKSA-N 1 0 421.538 2.838 20 0 HFADRO CNC(=O)c1cc(Oc2cccc(NC(=S)NCC3CC[NH+](C)CC3)c2)ccn1 ZINC000793287737 1078118707 /nfs/dbraw/zinc/11/87/07/1078118707.db2.gz FNGYYYHSYXMMDK-UHFFFAOYSA-N 1 0 413.547 2.862 20 0 HFADRO C[NH+](C)CCCNC(=S)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000793284632 1078118060 /nfs/dbraw/zinc/11/80/60/1078118060.db2.gz BHEGSBPDNFTIGB-VQTJNVASSA-N 1 0 418.607 2.840 20 0 HFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C(F)(F)C1CCOCC1 ZINC000790738987 1078120634 /nfs/dbraw/zinc/12/06/34/1078120634.db2.gz MVQALPARJAZEPN-UHFFFAOYSA-N 1 0 401.542 2.703 20 0 HFADRO C[N@@H+]1CCC[C@@H](NC(=O)N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)C1 ZINC000790770531 1078124377 /nfs/dbraw/zinc/12/43/77/1078124377.db2.gz RLIOMNMUBCJRPM-LJQANCHMSA-N 1 0 404.555 2.860 20 0 HFADRO CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=S)NC1CC[NH+](C)CC1 ZINC000793309448 1078124460 /nfs/dbraw/zinc/12/44/60/1078124460.db2.gz YDSMAAHIAKVTRH-UHFFFAOYSA-N 1 0 410.587 2.793 20 0 HFADRO C[C@@]1([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793345061 1078131162 /nfs/dbraw/zinc/13/11/62/1078131162.db2.gz XBTQDRAVMJINAR-OAQYLSRUSA-N 1 0 402.516 2.981 20 0 HFADRO C[C@]1([NH2+]Cc2cnc(N3CCOCC3)s2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793344684 1078131517 /nfs/dbraw/zinc/13/15/17/1078131517.db2.gz VBBPTOYUCTZFGM-NRFANRHFSA-N 1 0 416.547 2.871 20 0 HFADRO Brc1nc(Br)n(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000772831222 1078137735 /nfs/dbraw/zinc/13/77/35/1078137735.db2.gz ZLQUCENMIAALLC-JQWIXIFHSA-N 1 0 419.165 2.709 20 0 HFADRO CS(=O)(=O)c1ccc(CNC(=O)CCCC[NH+]2CCCC2)cc1C(F)(F)F ZINC000772761713 1078138092 /nfs/dbraw/zinc/13/80/92/1078138092.db2.gz XFHWQVLUDWPLQW-UHFFFAOYSA-N 1 0 406.470 2.991 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccn1 ZINC000790800599 1078139451 /nfs/dbraw/zinc/13/94/51/1078139451.db2.gz JHSPTADGKPGVMH-PBHICJAKSA-N 1 0 401.338 2.747 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000793383533 1078161610 /nfs/dbraw/zinc/16/16/10/1078161610.db2.gz OYYDHVKSGTUICC-YHDSQAASSA-N 1 0 400.567 2.751 20 0 HFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793384929 1078162202 /nfs/dbraw/zinc/16/22/02/1078162202.db2.gz QBKJLJNJCUMCFV-WOJBJXKFSA-N 1 0 410.518 2.521 20 0 HFADRO Cc1nn(C)c(Br)c1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000793488657 1078191120 /nfs/dbraw/zinc/19/11/20/1078191120.db2.gz QKXPIWKSUZDBDC-UHFFFAOYSA-N 1 0 421.339 2.894 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)[C@H](C)C1 ZINC000793510761 1078194808 /nfs/dbraw/zinc/19/48/08/1078194808.db2.gz AJIHMMHUVCLOBI-SQNIBIBYSA-N 1 0 411.587 2.885 20 0 HFADRO CC(C)[NH+]1CCC(N2CCN(CN3CC[C@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793512629 1078195924 /nfs/dbraw/zinc/19/59/24/1078195924.db2.gz VEKSCUDMCOOBGR-QHCPKHFHSA-N 1 0 412.622 2.916 20 0 HFADRO Cc1cc([C@@H](C)[NH2+]CCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)n(C)n1 ZINC000793523878 1078198799 /nfs/dbraw/zinc/19/87/99/1078198799.db2.gz GROWWKNYWXCQSY-LJQANCHMSA-N 1 0 405.587 2.656 20 0 HFADRO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NCCC[NH+]3CCC(O)CC3)ccc21 ZINC000793532031 1078212436 /nfs/dbraw/zinc/21/24/36/1078212436.db2.gz XZEZLMWJMYKJEF-UHFFFAOYSA-N 1 0 417.550 2.951 20 0 HFADRO COCC1(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793577823 1078213426 /nfs/dbraw/zinc/21/34/26/1078213426.db2.gz WKQOEWQDOPXOCB-IAGOWNOFSA-N 1 0 418.600 2.596 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCSC1 ZINC000793612037 1078227745 /nfs/dbraw/zinc/22/77/45/1078227745.db2.gz IVAMEYGMOPOCGX-LEWJYISDSA-N 1 0 405.564 2.589 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000793684401 1078254121 /nfs/dbraw/zinc/25/41/21/1078254121.db2.gz AMYRHPRDNWUBNW-KNKQGSTJSA-N 1 0 409.530 2.597 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001170436092 1078255427 /nfs/dbraw/zinc/25/54/27/1078255427.db2.gz GVNCMCKKZSDFHW-XCJLJZCSSA-N 1 0 416.518 2.912 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000793687062 1078256243 /nfs/dbraw/zinc/25/62/43/1078256243.db2.gz PQECBXGDQUNKKP-DENIHFKCSA-N 1 0 409.530 2.832 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000793658066 1078259619 /nfs/dbraw/zinc/25/96/19/1078259619.db2.gz ZVANOMUSLKCLOG-CNNODRBYSA-N 1 0 423.557 2.773 20 0 HFADRO COC(=O)[C@@H]1CC(=O)N(CN2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000793726637 1078268165 /nfs/dbraw/zinc/26/81/65/1078268165.db2.gz YFPRVGXKRIKAIW-FGZHOGPDSA-N 1 0 415.578 2.631 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000793712737 1078261382 /nfs/dbraw/zinc/26/13/82/1078261382.db2.gz KHQJJXZSZRNUJC-LJQANCHMSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1)[NH+]1CCCCC1 ZINC000793714803 1078262367 /nfs/dbraw/zinc/26/23/67/1078262367.db2.gz TYRIXOIDKONIKD-INIZCTEOSA-N 1 0 414.481 2.620 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000793714732 1078262711 /nfs/dbraw/zinc/26/27/11/1078262711.db2.gz SYEVAEDNZKTTTD-JHJVBQTASA-N 1 0 417.394 2.566 20 0 HFADRO CC[NH+](CC)CCN(C(=O)c1cc(C2CC2)cnc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000793726541 1078268500 /nfs/dbraw/zinc/26/85/00/1078268500.db2.gz BLWLJVQLBIZVGF-INIZCTEOSA-N 1 0 413.971 2.584 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000793724258 1078266790 /nfs/dbraw/zinc/26/67/90/1078266790.db2.gz YGMPWERJZSDHQA-CQSZACIVSA-N 1 0 416.349 2.617 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001170436556 1078267909 /nfs/dbraw/zinc/26/79/09/1078267909.db2.gz IYYMJMFFHOSEDS-WOJBJXKFSA-N 1 0 412.530 2.863 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000793694322 1078270341 /nfs/dbraw/zinc/27/03/41/1078270341.db2.gz HEWMAUINDJISHD-ROUUACIJSA-N 1 0 415.559 2.660 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)[NH+]1CCCCC1 ZINC000793694817 1078271267 /nfs/dbraw/zinc/27/12/67/1078271267.db2.gz BNNMOLQZKSHIEU-SJORKVTESA-N 1 0 418.607 2.719 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[NH+]1CCCCC1 ZINC000793694788 1078271367 /nfs/dbraw/zinc/27/13/67/1078271367.db2.gz BMKXAWILDCMDJV-IRXDYDNUSA-N 1 0 414.575 2.993 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000793700280 1078273568 /nfs/dbraw/zinc/27/35/68/1078273568.db2.gz ZBKRXAOGQUEALN-UXHICEINSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000793700938 1078273799 /nfs/dbraw/zinc/27/37/99/1078273799.db2.gz NBFJMPCJXDOYLY-JKSUJKDBSA-N 1 0 424.383 2.877 20 0 HFADRO COc1cc(-c2nn(CN3CC[C@@]4(CC[N@H+](C)C4)C3)c(=S)o2)cc(OC)c1OC ZINC000793766337 1078282173 /nfs/dbraw/zinc/28/21/73/1078282173.db2.gz KORZLNYDGPIUIS-HXUWFJFHSA-N 1 0 420.535 2.883 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793767230 1078282828 /nfs/dbraw/zinc/28/28/28/1078282828.db2.gz FHTMOGRGFMZNBC-IFMALSPDSA-N 1 0 423.557 2.859 20 0 HFADRO Cc1ccc(N(C)[C@@H]2CCCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC000793736953 1078285436 /nfs/dbraw/zinc/28/54/36/1078285436.db2.gz FKLVVENQQURFCZ-OAQYLSRUSA-N 1 0 414.594 2.801 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000793737721 1078286062 /nfs/dbraw/zinc/28/60/62/1078286062.db2.gz LIXVZJRVNKBYAR-FQEVSTJZSA-N 1 0 401.551 2.650 20 0 HFADRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000747146222 1078289410 /nfs/dbraw/zinc/28/94/10/1078289410.db2.gz ZUWROMXKUUZREY-HXUWFJFHSA-N 1 0 400.429 2.634 20 0 HFADRO CC(C)C[C@H](NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000772837019 1078289642 /nfs/dbraw/zinc/28/96/42/1078289642.db2.gz JXSVVMADTANJPN-DLBZAZTESA-N 1 0 418.365 2.626 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793798891 1078301683 /nfs/dbraw/zinc/30/16/83/1078301683.db2.gz MKTIZAIUCGUWFJ-NBGIEHNGSA-N 1 0 423.557 2.907 20 0 HFADRO O=C(NCCc1ccc(F)cc1F)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793821635 1078317672 /nfs/dbraw/zinc/31/76/72/1078317672.db2.gz DZELHSYTRPGXNJ-UHFFFAOYSA-N 1 0 407.505 2.784 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)C2)C1 ZINC000793771033 1078307069 /nfs/dbraw/zinc/30/70/69/1078307069.db2.gz ZVCWELJOFMXTGY-LOSJGSFVSA-N 1 0 418.541 2.662 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793780914 1078310284 /nfs/dbraw/zinc/31/02/84/1078310284.db2.gz PCFHMALELYYTHV-SXWKCWPCSA-N 1 0 423.557 2.905 20 0 HFADRO CN(C)c1ccc(C2CCN(C(=O)C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000793838414 1078310869 /nfs/dbraw/zinc/31/08/69/1078310869.db2.gz JEZBKPJZKKQGBH-UHFFFAOYSA-N 1 0 422.573 2.707 20 0 HFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000793839376 1078311095 /nfs/dbraw/zinc/31/10/95/1078311095.db2.gz CVPNVWCIJLLFLK-RBBKRZOGSA-N 1 0 421.541 2.525 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)Cc1ccn(-c2ccccc2)n1)c1ccco1 ZINC000793841267 1078311694 /nfs/dbraw/zinc/31/16/94/1078311694.db2.gz CZGSZHPWMFUMPR-HXUWFJFHSA-N 1 0 423.517 2.623 20 0 HFADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000793813252 1078315271 /nfs/dbraw/zinc/31/52/71/1078315271.db2.gz HPHNZDOZJQOJAM-ZDUSSCGKSA-N 1 0 401.429 2.611 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC000793824691 1078318419 /nfs/dbraw/zinc/31/84/19/1078318419.db2.gz MEKZWIQOIATLOK-NRFANRHFSA-N 1 0 421.557 2.582 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000793855095 1078324536 /nfs/dbraw/zinc/32/45/36/1078324536.db2.gz XRZJVGCBIDMMBH-MJGOQNOKSA-N 1 0 415.559 2.641 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)[C@H](C)C1 ZINC000793872428 1078329430 /nfs/dbraw/zinc/32/94/30/1078329430.db2.gz ABPILVYEKOYGKA-MSOLQXFVSA-N 1 0 411.587 2.765 20 0 HFADRO CCCC[N@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793872087 1078329578 /nfs/dbraw/zinc/32/95/78/1078329578.db2.gz QWBGTWCUBXGFMX-UHFFFAOYSA-N 1 0 416.610 2.917 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000793931372 1078341290 /nfs/dbraw/zinc/34/12/90/1078341290.db2.gz NIAREJMYPBZDGD-QAPCUYQASA-N 1 0 400.910 2.645 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000793932478 1078341515 /nfs/dbraw/zinc/34/15/15/1078341515.db2.gz UIJSOHBOXKJXNP-RDJZCZTQSA-N 1 0 400.910 2.611 20 0 HFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000793909568 1078334917 /nfs/dbraw/zinc/33/49/17/1078334917.db2.gz HUVUIWSGRSJRHO-ZWJWXYIHSA-N 1 0 421.607 2.645 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)CCC2 ZINC000793911383 1078335689 /nfs/dbraw/zinc/33/56/89/1078335689.db2.gz BBAWYBKTHODBLZ-CKEIUWERSA-N 1 0 406.596 2.818 20 0 HFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000793915538 1078336821 /nfs/dbraw/zinc/33/68/21/1078336821.db2.gz YMQUOVRPMUXKMY-GHTZIAJQSA-N 1 0 415.578 2.897 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000793915539 1078336857 /nfs/dbraw/zinc/33/68/57/1078336857.db2.gz YMQUOVRPMUXKMY-NQIIRXRSSA-N 1 0 415.578 2.897 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000793928356 1078340307 /nfs/dbraw/zinc/34/03/07/1078340307.db2.gz ATXUGAITZQUWGG-IPHXSNPTSA-N 1 0 411.933 2.875 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000793872150 1078329854 /nfs/dbraw/zinc/32/98/54/1078329854.db2.gz XRDMBJQYBXUVSP-QFIPXVFZSA-N 1 0 411.546 2.645 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000793950644 1078344770 /nfs/dbraw/zinc/34/47/70/1078344770.db2.gz OZKFEACYBWWTHJ-PKOBYXMFSA-N 1 0 409.615 2.961 20 0 HFADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000793957341 1078347377 /nfs/dbraw/zinc/34/73/77/1078347377.db2.gz KVDQTYCRJDNLIX-AZUAARDMSA-N 1 0 409.615 2.961 20 0 HFADRO CC(C)(CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C[NH+]1CCCC1 ZINC000793958663 1078347570 /nfs/dbraw/zinc/34/75/70/1078347570.db2.gz HDAGKXDQFSXALX-WOJBJXKFSA-N 1 0 424.545 2.817 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000793946756 1078355197 /nfs/dbraw/zinc/35/51/97/1078355197.db2.gz BVNKTITWSBZFDQ-WSTZPKSXSA-N 1 0 407.599 2.667 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000793948042 1078355658 /nfs/dbraw/zinc/35/56/58/1078355658.db2.gz JIZWUCFFHBSIQM-SLFFLAALSA-N 1 0 407.599 2.526 20 0 HFADRO O=C(N[C@@H](Cc1ccccc1)C(=O)NCC[N@H+]1CC=CCC1)OCc1ccccc1 ZINC000794117294 1078374252 /nfs/dbraw/zinc/37/42/52/1078374252.db2.gz AZURTBXBMIZKBQ-QFIPXVFZSA-N 1 0 407.514 2.902 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)cc2)CC1 ZINC000794217016 1078394766 /nfs/dbraw/zinc/39/47/66/1078394766.db2.gz BKJGLENDBCZGRK-PMOLBWCYSA-N 1 0 414.550 2.880 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001170445534 1078415003 /nfs/dbraw/zinc/41/50/03/1078415003.db2.gz WXWLUJAZNKQXOL-HXUWFJFHSA-N 1 0 424.545 2.795 20 0 HFADRO C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000794383022 1078432195 /nfs/dbraw/zinc/43/21/95/1078432195.db2.gz KIOJOGHIDCYHLO-MRXNPFEDSA-N 1 0 401.548 2.593 20 0 HFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001129395214 1078437764 /nfs/dbraw/zinc/43/77/64/1078437764.db2.gz MUQHDFWPOIGYFE-WBVHZDCISA-N 1 0 401.457 2.954 20 0 HFADRO CSC1(CNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC[NH+](C)CC1 ZINC001129413316 1078445715 /nfs/dbraw/zinc/44/57/15/1078445715.db2.gz IHVRZZKNQBBEPQ-UHFFFAOYSA-N 1 0 410.483 2.537 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000804400193 1078463613 /nfs/dbraw/zinc/46/36/13/1078463613.db2.gz DZXPADBZNUPIFT-SFHVURJKSA-N 1 0 424.488 2.717 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCc3c2cccc3O)CC[N@H+](Cc2ccccc2)C1 ZINC000804399813 1078463873 /nfs/dbraw/zinc/46/38/73/1078463873.db2.gz GUTJRURNDNXWLX-YKSBVNFPSA-N 1 0 407.514 2.524 20 0 HFADRO C[NH+]1C(C)(C)CC(Nc2ncc(C(=O)N3CCC[C@@H]3C(N)=O)cc2Cl)CC1(C)C ZINC001170450388 1078474507 /nfs/dbraw/zinc/47/45/07/1078474507.db2.gz IHZFQCIDBZKHDC-MRXNPFEDSA-N 1 0 421.973 2.888 20 0 HFADRO Cc1nn(C)cc1C1=NO[C@H](C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486373 1078506504 /nfs/dbraw/zinc/50/65/04/1078506504.db2.gz IWDNSTCATXEVMZ-KNQAVFIVSA-N 1 0 409.534 2.640 20 0 HFADRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001129809330 1078507917 /nfs/dbraw/zinc/50/79/17/1078507917.db2.gz IWQNBRDRURGZLO-UHFFFAOYSA-N 1 0 421.588 2.747 20 0 HFADRO COc1ccc(/C=C/C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1O ZINC000804448897 1078516431 /nfs/dbraw/zinc/51/64/31/1078516431.db2.gz RDJYZLRYJBEIDN-RCHCNPRSSA-N 1 0 421.541 2.833 20 0 HFADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC001129570971 1078563825 /nfs/dbraw/zinc/56/38/25/1078563825.db2.gz CBCXBENIDKBJFX-WIYYLYMNSA-N 1 0 421.545 2.707 20 0 HFADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001129571753 1078564744 /nfs/dbraw/zinc/56/47/44/1078564744.db2.gz LQILVBDIZVUTCT-ROUUACIJSA-N 1 0 414.550 2.840 20 0 HFADRO Cc1cc(F)c(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1F ZINC001129872685 1078569225 /nfs/dbraw/zinc/56/92/25/1078569225.db2.gz MYRFGFFUHYBKIY-UHFFFAOYSA-N 1 0 401.457 2.901 20 0 HFADRO C[C@]1(CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1(Cl)Cl ZINC001129872820 1078569271 /nfs/dbraw/zinc/56/92/71/1078569271.db2.gz RLKVUWVZUOXGNT-IBGZPJMESA-N 1 0 412.361 2.974 20 0 HFADRO O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804534192 1078571527 /nfs/dbraw/zinc/57/15/27/1078571527.db2.gz DUKIRANLYKIXMI-YLJYHZDGSA-N 1 0 409.452 2.664 20 0 HFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001129905784 1078577946 /nfs/dbraw/zinc/57/79/46/1078577946.db2.gz PVBXBNAKTIWQKU-ZDUSSCGKSA-N 1 0 401.960 2.583 20 0 HFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730154 1078588866 /nfs/dbraw/zinc/58/88/66/1078588866.db2.gz YGGXBBGJEASFPV-SJLPKXTDSA-N 1 0 409.452 2.622 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC000804566086 1078601111 /nfs/dbraw/zinc/60/11/11/1078601111.db2.gz JIBODNXKCDUWEY-UHFFFAOYSA-N 1 0 413.559 2.851 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000804776022 1078601705 /nfs/dbraw/zinc/60/17/05/1078601705.db2.gz UBQYEPSXRCIPOS-XUVXKRRUSA-N 1 0 410.518 2.569 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)CCc1c(C)[nH]c2nn(C)c(=O)c-2c1C ZINC000804566889 1078602357 /nfs/dbraw/zinc/60/23/57/1078602357.db2.gz HMMWYLPKIOUYFO-UHFFFAOYSA-N 1 0 401.555 2.536 20 0 HFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC001129926021 1078618313 /nfs/dbraw/zinc/61/83/13/1078618313.db2.gz NHCIEYDKCRIXPO-UHFFFAOYSA-N 1 0 405.283 2.839 20 0 HFADRO O=C(/C=C\c1ccc[nH]1)NCCN(CC[NH+]1CCCCC1)C(=O)/C=C/c1ccc[nH]1 ZINC000804590480 1078624569 /nfs/dbraw/zinc/62/45/69/1078624569.db2.gz WSYBMHZOALJNOV-PNQPDEHRSA-N 1 0 409.534 2.500 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000747215867 1078641102 /nfs/dbraw/zinc/64/11/02/1078641102.db2.gz IFBYPBJNWZENJP-INIZCTEOSA-N 1 0 411.506 2.564 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001129968497 1078661477 /nfs/dbraw/zinc/66/14/77/1078661477.db2.gz ZOLDJNSKRVUJBG-TZIWHRDSSA-N 1 0 405.502 2.534 20 0 HFADRO CCN1C[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1=O ZINC001129677162 1078665460 /nfs/dbraw/zinc/66/54/60/1078665460.db2.gz DZGZXZLSNRARGQ-BAGYTPMASA-N 1 0 409.505 2.778 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000804829413 1078669292 /nfs/dbraw/zinc/66/92/92/1078669292.db2.gz TYUMIHWWIFZHOL-FQEVSTJZSA-N 1 0 422.573 2.882 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000804829192 1078669778 /nfs/dbraw/zinc/66/97/78/1078669778.db2.gz NGISLRQPZBQORI-FQEVSTJZSA-N 1 0 400.567 2.672 20 0 HFADRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001129719968 1078672683 /nfs/dbraw/zinc/67/26/83/1078672683.db2.gz JHRAHHGPSNIGTC-LJQANCHMSA-N 1 0 417.594 2.664 20 0 HFADRO CCN(c1ccnc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736238 1078682683 /nfs/dbraw/zinc/68/26/83/1078682683.db2.gz YJYSUZSGIONOIO-OALUTQOASA-N 1 0 411.554 2.653 20 0 HFADRO CCOC(=O)c1c(NC(=O)CN2C[C@H]3CC[N@H+](C)[C@H]3C2)sc2c1CC[C@@H](C)C2 ZINC001170459425 1078681341 /nfs/dbraw/zinc/68/13/41/1078681341.db2.gz GXMDMNBWGNMUBC-FMKPAKJESA-N 1 0 405.564 2.624 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804642912 1078695399 /nfs/dbraw/zinc/69/53/99/1078695399.db2.gz AAFXOGQGVOZKFZ-JXFKEZNVSA-N 1 0 412.534 2.510 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804644639 1078697192 /nfs/dbraw/zinc/69/71/92/1078697192.db2.gz MNJBSJFAJRROJS-UGKGYDQZSA-N 1 0 422.573 2.928 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000804644608 1078697387 /nfs/dbraw/zinc/69/73/87/1078697387.db2.gz KTAVKLWLUWTCQM-WPWBMXPQSA-N 1 0 423.557 2.570 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000804643934 1078698826 /nfs/dbraw/zinc/69/88/26/1078698826.db2.gz UASUUXQWIHFKJS-NQIIRXRSSA-N 1 0 411.521 2.996 20 0 HFADRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1S(C)(=O)=O ZINC001129760928 1078704843 /nfs/dbraw/zinc/70/48/43/1078704843.db2.gz RAQBXHGXRPDRBU-KRWDZBQOSA-N 1 0 402.516 2.949 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000804922465 1078744362 /nfs/dbraw/zinc/74/43/62/1078744362.db2.gz SDWUABCWJBZEJT-LPHOPBHVSA-N 1 0 417.554 2.743 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000804896625 1078752733 /nfs/dbraw/zinc/75/27/33/1078752733.db2.gz SHOQYGYIIYDHDV-AUUYWEPGSA-N 1 0 413.440 2.570 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000804904052 1078759776 /nfs/dbraw/zinc/75/97/76/1078759776.db2.gz UHPZRSSKBQHDTL-QFBILLFUSA-N 1 0 413.440 2.961 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000804954659 1078796076 /nfs/dbraw/zinc/79/60/76/1078796076.db2.gz PLIYSRCBZOLKQA-DAYGRLMNSA-N 1 0 407.477 2.882 20 0 HFADRO CCC[N@H+](C)[C@@H](CNC(=O)NCCN1C(=O)CSC1=O)c1ccc(Cl)cc1 ZINC000805019727 1078830364 /nfs/dbraw/zinc/83/03/64/1078830364.db2.gz KCKTYQQBAJVDCZ-HNNXBMFYSA-N 1 0 412.943 2.718 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000805110753 1078895187 /nfs/dbraw/zinc/89/51/87/1078895187.db2.gz HAIFSCCMUJSNQL-RISCZKNCSA-N 1 0 421.332 2.844 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000805119037 1078902265 /nfs/dbraw/zinc/90/22/65/1078902265.db2.gz HFJPTVCRRBZNRD-APWZRJJASA-N 1 0 413.440 2.788 20 0 HFADRO C[C@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805126155 1078926098 /nfs/dbraw/zinc/92/60/98/1078926098.db2.gz CBUZSNSDGVKQEX-XQLPTFJDSA-N 1 0 408.509 2.840 20 0 HFADRO O=C(COc1ccc(C2SCCCS2)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747230933 1078945523 /nfs/dbraw/zinc/94/55/23/1078945523.db2.gz DBQUIUUHDRWMIG-AEFFLSMTSA-N 1 0 408.589 2.914 20 0 HFADRO COc1cccc(NC(=O)COc2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)c1 ZINC001130099052 1078949536 /nfs/dbraw/zinc/94/95/36/1078949536.db2.gz RGLRMYGAVHJNHA-LJQANCHMSA-N 1 0 411.502 2.879 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000747230036 1078952239 /nfs/dbraw/zinc/95/22/39/1078952239.db2.gz YIXGWCAQQKYZMS-FMIVXFBMSA-N 1 0 414.527 2.816 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccc(C(C)=O)s3)cc2)CC1 ZINC000805169332 1078957272 /nfs/dbraw/zinc/95/72/72/1078957272.db2.gz DRHBRLGNDNNBPX-UHFFFAOYSA-N 1 0 415.515 2.888 20 0 HFADRO CN(CCCC(=O)N(C)C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC001130105846 1078958388 /nfs/dbraw/zinc/95/83/88/1078958388.db2.gz CKHVXZQXIUZDMW-UHFFFAOYSA-N 1 0 413.559 2.559 20 0 HFADRO Cc1nc(Cl)c(Cl)cc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000805176387 1078962501 /nfs/dbraw/zinc/96/25/01/1078962501.db2.gz VZOSUYPIUNQMFV-UHFFFAOYSA-N 1 0 409.317 2.918 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805196164 1078969988 /nfs/dbraw/zinc/96/99/88/1078969988.db2.gz OSQXNGZTPRXJFI-JOCHJYFZSA-N 1 0 414.937 2.864 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCCc2ccc(Cl)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000805197969 1078971016 /nfs/dbraw/zinc/97/10/16/1078971016.db2.gz JYHPRIVTYGJXPJ-JOCHJYFZSA-N 1 0 414.937 2.565 20 0 HFADRO COCC(C)(C)[NH+]1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC001130117631 1078987818 /nfs/dbraw/zinc/98/78/18/1078987818.db2.gz UGIPEQAEVDDOCP-UHFFFAOYSA-N 1 0 404.486 2.686 20 0 HFADRO CCCCCCn1nc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2c1=O ZINC000747236309 1078994736 /nfs/dbraw/zinc/99/47/36/1078994736.db2.gz LIUDQTLXFLOLJS-QZTJIDSGSA-N 1 0 412.534 2.570 20 0 HFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)c1ccccc1 ZINC000747235452 1079008332 /nfs/dbraw/zinc/00/83/32/1079008332.db2.gz HUWLGQINVYWLRP-IBGZPJMESA-N 1 0 408.495 2.974 20 0 HFADRO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747235338 1079009014 /nfs/dbraw/zinc/00/90/14/1079009014.db2.gz CNDQPPRTRXZXKW-HZPDHXFCSA-N 1 0 402.520 2.572 20 0 HFADRO O=C(NOCc1ccc(F)cc1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805281161 1079007037 /nfs/dbraw/zinc/00/70/37/1079007037.db2.gz SZSNMUAYWUPOLK-QFIPXVFZSA-N 1 0 412.509 2.859 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000805293362 1079015072 /nfs/dbraw/zinc/01/50/72/1079015072.db2.gz MNDKODNBLXQXNX-ALKREAHSSA-N 1 0 413.440 2.644 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1F ZINC000747237342 1079032856 /nfs/dbraw/zinc/03/28/56/1079032856.db2.gz IOQBNMMEXJDHCV-LJQANCHMSA-N 1 0 406.479 2.728 20 0 HFADRO COC[C@]1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000805367334 1079049293 /nfs/dbraw/zinc/04/92/93/1079049293.db2.gz HEUAJBVQMMHNPP-JOCHJYFZSA-N 1 0 424.586 2.576 20 0 HFADRO COC[C@@]1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000805367335 1079049379 /nfs/dbraw/zinc/04/93/79/1079049379.db2.gz HEUAJBVQMMHNPP-QFIPXVFZSA-N 1 0 424.586 2.576 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000747239776 1079052148 /nfs/dbraw/zinc/05/21/48/1079052148.db2.gz CSWQEAQVFQRBQO-SDNWHVSQSA-N 1 0 402.516 2.673 20 0 HFADRO COC[C@@]1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000805411461 1079073391 /nfs/dbraw/zinc/07/33/91/1079073391.db2.gz RFMICWNCASCQEH-IRZJEQJZSA-N 1 0 424.586 2.719 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000805415827 1079076336 /nfs/dbraw/zinc/07/63/36/1079076336.db2.gz VAKCERBWQWKCCI-NRFANRHFSA-N 1 0 416.566 2.959 20 0 HFADRO CC[C@@H]1CC(N(C2CC[NH2+]CC2)S(C)(=O)=O)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170481766 1079087288 /nfs/dbraw/zinc/08/72/88/1079087288.db2.gz AFYMAQFIGLHWBE-HZPDHXFCSA-N 1 0 417.616 2.957 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c(Cl)cc1Cl ZINC000747244826 1079094959 /nfs/dbraw/zinc/09/49/59/1079094959.db2.gz AUAVMKYEZBQRRK-UHFFFAOYSA-N 1 0 409.335 2.933 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c(Cl)cc1Cl ZINC000747245682 1079120284 /nfs/dbraw/zinc/12/02/84/1079120284.db2.gz NZLJYTWKFWFXFE-UHFFFAOYSA-N 1 0 409.335 2.790 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1 ZINC000747246779 1079123123 /nfs/dbraw/zinc/12/31/23/1079123123.db2.gz GYKMMWBOPZWFKC-SDNWHVSQSA-N 1 0 416.543 2.668 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1F ZINC000747253488 1079154035 /nfs/dbraw/zinc/15/40/35/1079154035.db2.gz LBXJDTDPIBOXFM-HOCLYGCPSA-N 1 0 406.479 2.726 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000747254999 1079160263 /nfs/dbraw/zinc/16/02/63/1079160263.db2.gz WZURHZOBZZOWPE-FMIVXFBMSA-N 1 0 420.506 2.764 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)C1 ZINC000805636740 1079190181 /nfs/dbraw/zinc/19/01/81/1079190181.db2.gz BGMGXITUNRRXDC-IEBWSBKVSA-N 1 0 417.598 2.974 20 0 HFADRO C[C@H]([NH2+]C1(CNC(=O)C(=O)NC[C@@H]2CSCCS2)CCCC1)c1ccccc1 ZINC000805646822 1079200265 /nfs/dbraw/zinc/20/02/65/1079200265.db2.gz DEBAEPBGYNMPJI-FUHWJXTLSA-N 1 0 421.632 2.731 20 0 HFADRO CON(CC1CCOCC1)C(=O)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000805646832 1079200284 /nfs/dbraw/zinc/20/02/84/1079200284.db2.gz DLIAHWNRKHHUMV-GOSISDBHSA-N 1 0 417.550 2.583 20 0 HFADRO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301330 1079193206 /nfs/dbraw/zinc/19/32/06/1079193206.db2.gz LJRHLYYSZOIXQR-WOJBJXKFSA-N 1 0 419.591 2.963 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000805654253 1079204924 /nfs/dbraw/zinc/20/49/24/1079204924.db2.gz LWTRXEYDDPIIGQ-UHFFFAOYSA-N 1 0 423.469 2.779 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(-c4cccnc4)nn3)cc2)CC1 ZINC001170486673 1079224751 /nfs/dbraw/zinc/22/47/51/1079224751.db2.gz LTBQSGQYXLAXLF-WWDZGPRUSA-N 1 0 402.502 2.910 20 0 HFADRO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000805752481 1079231269 /nfs/dbraw/zinc/23/12/69/1079231269.db2.gz APVHDJZQBDFKDO-NRFANRHFSA-N 1 0 407.507 2.944 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000747266171 1079235360 /nfs/dbraw/zinc/23/53/60/1079235360.db2.gz HDSRMCJOTKXMPM-VWILAXROSA-N 1 0 402.516 2.672 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793414 1079258386 /nfs/dbraw/zinc/25/83/86/1079258386.db2.gz YSUBZTKGJFNZLP-WOJBJXKFSA-N 1 0 417.550 2.901 20 0 HFADRO CC(C)(CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805761712 1079262667 /nfs/dbraw/zinc/26/26/67/1079262667.db2.gz FKPAWGQVZCMPJZ-DEOSSOPVSA-N 1 0 408.546 2.504 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000805834932 1079274861 /nfs/dbraw/zinc/27/48/61/1079274861.db2.gz WXMDUPNPUSQSQY-UHFFFAOYSA-N 1 0 417.554 2.808 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001130371003 1079271345 /nfs/dbraw/zinc/27/13/45/1079271345.db2.gz YUXGAJMIEFFNBR-AIANPOQGSA-N 1 0 411.468 2.993 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001130371005 1079271389 /nfs/dbraw/zinc/27/13/89/1079271389.db2.gz YUXGAJMIEFFNBR-PNBKFKSVSA-N 1 0 411.468 2.993 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC000805833244 1079272842 /nfs/dbraw/zinc/27/28/42/1079272842.db2.gz VSWIFXJKDIIATF-SFHVURJKSA-N 1 0 402.539 2.771 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc(C(F)(F)F)cc[n+]3[O-])cc2)CC1 ZINC001170490857 1079301824 /nfs/dbraw/zinc/30/18/24/1079301824.db2.gz XCDYMLZECYMUMU-WLYUNCDWSA-N 1 0 408.424 2.710 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000747272774 1079320021 /nfs/dbraw/zinc/32/00/21/1079320021.db2.gz GOPBVMJSTOUWEL-UHFFFAOYSA-N 1 0 408.495 2.973 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)CCC2 ZINC000805940543 1079343696 /nfs/dbraw/zinc/34/36/96/1079343696.db2.gz STGMLMGMVQUMJH-PXNSSMCTSA-N 1 0 411.550 2.594 20 0 HFADRO COC(=O)[C@]1(NC(=O)C[C@H]2OCc3ccccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC001130448181 1079349290 /nfs/dbraw/zinc/34/92/90/1079349290.db2.gz LPWQGRKCQSIMPU-QPPBQGQZSA-N 1 0 408.498 2.972 20 0 HFADRO C[C@@H](CCNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[N@H+](C)Cc1ccccc1 ZINC000747282391 1079355112 /nfs/dbraw/zinc/35/51/12/1079355112.db2.gz NVMJDIPWZYXJJQ-KRWDZBQOSA-N 1 0 417.531 2.832 20 0 HFADRO CON(C)C(=O)Cc1ccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cc1 ZINC001170492867 1079361401 /nfs/dbraw/zinc/36/14/01/1079361401.db2.gz FRWRZAMLPNSINL-QHGAOEGBSA-N 1 0 424.545 2.621 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CCN(CC(N)=O)C(C)(C)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170494416 1079376749 /nfs/dbraw/zinc/37/67/49/1079376749.db2.gz VCZKKMYRGNXQBL-BCDXTJNWSA-N 1 0 410.603 2.825 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(=O)n(-c4ccncc4)c3)cc2)CC1 ZINC001170499597 1079437054 /nfs/dbraw/zinc/43/70/54/1079437054.db2.gz FOZHGIRFWKKILC-LMDPOFIKSA-N 1 0 417.513 2.604 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC001130523640 1079459057 /nfs/dbraw/zinc/45/90/57/1079459057.db2.gz HMDLSUKDXDNXMC-UHFFFAOYSA-N 1 0 408.502 2.586 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2)CC1 ZINC001130541315 1079461943 /nfs/dbraw/zinc/46/19/43/1079461943.db2.gz AEJBSWINTUQPAD-OAQYLSRUSA-N 1 0 422.529 2.767 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3ccc(-n4cccn4)nc3)cc2)CC1 ZINC001130541727 1079462517 /nfs/dbraw/zinc/46/25/17/1079462517.db2.gz HUISPYVFYODPQC-UHFFFAOYSA-N 1 0 420.517 2.536 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC001130544331 1079475878 /nfs/dbraw/zinc/47/58/78/1079475878.db2.gz NMLGIDHKTGMRGO-LJQANCHMSA-N 1 0 401.551 2.991 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000806182826 1079477142 /nfs/dbraw/zinc/47/71/42/1079477142.db2.gz DHPOGAYGEDFCRM-MSOLQXFVSA-N 1 0 423.579 2.829 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(C4(C)OCCO4)nc3)cc2)CC1 ZINC001170500865 1079486912 /nfs/dbraw/zinc/48/69/12/1079486912.db2.gz RVRGIRHCUSAUPG-WWDZGPRUSA-N 1 0 410.518 2.673 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000806211382 1079496240 /nfs/dbraw/zinc/49/62/40/1079496240.db2.gz YPVSYOAWKFLSSD-UHFFFAOYSA-N 1 0 407.946 2.616 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000806247438 1079501159 /nfs/dbraw/zinc/50/11/59/1079501159.db2.gz MEAZXCPKGYRYPS-LJQANCHMSA-N 1 0 423.510 2.674 20 0 HFADRO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000787332488 1076745193 /nfs/dbraw/zinc/74/51/93/1076745193.db2.gz LNDJXQIMLBDQKC-SCTDSRPQSA-N 1 0 424.586 2.527 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccccc1I ZINC000787304061 1076751679 /nfs/dbraw/zinc/75/16/79/1076751679.db2.gz PWSJFLMFNMOSLW-AWEZNQCLSA-N 1 0 400.304 2.976 20 0 HFADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000787310496 1076757253 /nfs/dbraw/zinc/75/72/53/1076757253.db2.gz YDYMEPMEEHCUEL-FVJLSDCUSA-N 1 0 418.563 2.529 20 0 HFADRO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787313487 1076758812 /nfs/dbraw/zinc/75/88/12/1076758812.db2.gz ZLWZLEWABJBILU-VQTJNVASSA-N 1 0 421.900 2.579 20 0 HFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787316683 1076760289 /nfs/dbraw/zinc/76/02/89/1076760289.db2.gz JWTFXVHWTBYBRJ-CVEARBPZSA-N 1 0 405.543 2.690 20 0 HFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787317656 1076760631 /nfs/dbraw/zinc/76/06/31/1076760631.db2.gz KWYSBICFMOWJHZ-INIZCTEOSA-N 1 0 405.543 2.548 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326661 1076769392 /nfs/dbraw/zinc/76/93/92/1076769392.db2.gz QBTUGEYEIIGQKP-ZWKOTPCHSA-N 1 0 424.586 2.671 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1 ZINC000787354937 1076794043 /nfs/dbraw/zinc/79/40/43/1076794043.db2.gz XILLPKCFRQLXQT-UHFFFAOYSA-N 1 0 423.510 2.505 20 0 HFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCOc1ccccc1I ZINC000787355795 1076794720 /nfs/dbraw/zinc/79/47/20/1076794720.db2.gz LUDWRILLYIOOOU-CQSZACIVSA-N 1 0 404.292 2.763 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)C[NH2+][C@@H](C)CCCC(C)C)ccc12 ZINC001170072919 1076808894 /nfs/dbraw/zinc/80/88/94/1076808894.db2.gz FQFCWRYSQOJZNZ-INIZCTEOSA-N 1 0 401.507 2.961 20 0 HFADRO C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C[C@@H](CO)O1 ZINC000787407114 1076809797 /nfs/dbraw/zinc/80/97/97/1076809797.db2.gz RVMYASTVTXCLME-XLIONFOSSA-N 1 0 418.538 2.505 20 0 HFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787435127 1076822634 /nfs/dbraw/zinc/82/26/34/1076822634.db2.gz YUYSOBYIDSFDLD-IRXDYDNUSA-N 1 0 419.570 2.842 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1cccc(COCc2ccco2)c1)[NH+]1CCCCC1 ZINC000787498863 1076826678 /nfs/dbraw/zinc/82/66/78/1076826678.db2.gz PSNHFPSWQNGOAQ-GOSISDBHSA-N 1 0 413.518 2.603 20 0 HFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787483803 1076841980 /nfs/dbraw/zinc/84/19/80/1076841980.db2.gz TZKUUIKRKVCSQN-WBVHZDCISA-N 1 0 419.570 2.936 20 0 HFADRO Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CC[NH+]4CCC3CC4)cc2)c1 ZINC000787522914 1076846623 /nfs/dbraw/zinc/84/66/23/1076846623.db2.gz FVYFACLWHLOUMF-UHFFFAOYSA-N 1 0 414.527 2.991 20 0 HFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000787541870 1076854576 /nfs/dbraw/zinc/85/45/76/1076854576.db2.gz MHNCNAYDIISCSX-UGKGYDQZSA-N 1 0 410.514 2.598 20 0 HFADRO COc1cc(/C=C\C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000787631546 1076884956 /nfs/dbraw/zinc/88/49/56/1076884956.db2.gz UKWWCDUCMKKKFF-CIVUBALASA-N 1 0 411.502 2.912 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)CCC2 ZINC000787637913 1076891754 /nfs/dbraw/zinc/89/17/54/1076891754.db2.gz LYDISABWSBULCI-RTBURBONSA-N 1 0 415.513 2.516 20 0 HFADRO CCOc1cc(OC)cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1 ZINC001170075803 1076899791 /nfs/dbraw/zinc/89/97/91/1076899791.db2.gz JKESEMBCBPPPLD-UHFFFAOYSA-N 1 0 401.488 2.796 20 0 HFADRO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000787680037 1076908962 /nfs/dbraw/zinc/90/89/62/1076908962.db2.gz ZZQXBWLAUVFXKA-SCTDSRPQSA-N 1 0 409.571 2.734 20 0 HFADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000787684276 1076910359 /nfs/dbraw/zinc/91/03/59/1076910359.db2.gz LIWOKBYQGIPLFC-HSZRJFAPSA-N 1 0 406.486 2.785 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1)C1CCCCC1 ZINC000787692224 1076914146 /nfs/dbraw/zinc/91/41/46/1076914146.db2.gz UOHXRFOQKNMWRV-NRFANRHFSA-N 1 0 419.541 2.621 20 0 HFADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000787694948 1076915478 /nfs/dbraw/zinc/91/54/78/1076915478.db2.gz UIBSJSOZVCYUAS-UHFFFAOYSA-N 1 0 422.529 2.981 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@@H+]2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000787710582 1076922296 /nfs/dbraw/zinc/92/22/96/1076922296.db2.gz LWOXMIFQLIVFJD-UWJYYQICSA-N 1 0 423.579 2.656 20 0 HFADRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000787761249 1076929940 /nfs/dbraw/zinc/92/99/40/1076929940.db2.gz SBLQIJCNWWZUFA-SFTDATJTSA-N 1 0 411.933 2.877 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cccn2c(I)cnc12 ZINC000787762598 1076930447 /nfs/dbraw/zinc/93/04/47/1076930447.db2.gz YNASULUKZJBUSN-UHFFFAOYSA-N 1 0 414.291 2.743 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C2CC2)C1 ZINC000787763003 1076930468 /nfs/dbraw/zinc/93/04/68/1076930468.db2.gz TUYREMFANSWLNX-XIRDDKMYSA-N 1 0 421.504 2.875 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3C[C@@]34CCN(C(=O)OC(C)(C)C)C4)n2)CC1 ZINC000787771526 1076941990 /nfs/dbraw/zinc/94/19/90/1076941990.db2.gz REEDSBOWJUMOGU-HRAATJIYSA-N 1 0 403.527 2.735 20 0 HFADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OCc2nc(-c3nc[nH]n3)no2)c1 ZINC000787785930 1076945515 /nfs/dbraw/zinc/94/55/15/1076945515.db2.gz LYKNNHMUDLZPEK-UHFFFAOYSA-N 1 0 404.430 2.844 20 0 HFADRO COc1ccc(CC[C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000787874104 1076970590 /nfs/dbraw/zinc/97/05/90/1076970590.db2.gz MEVIRVVGJNMPOT-GOSISDBHSA-N 1 0 411.546 2.853 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000787877191 1076972505 /nfs/dbraw/zinc/97/25/05/1076972505.db2.gz NPRMMVZEHWLADM-LJQANCHMSA-N 1 0 403.910 2.970 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2ccc(F)cc2)cc1 ZINC000787888228 1076978835 /nfs/dbraw/zinc/97/88/35/1076978835.db2.gz BSTBHHLGAPDUQY-QFIPXVFZSA-N 1 0 401.482 2.630 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1 ZINC000787890580 1076979543 /nfs/dbraw/zinc/97/95/43/1076979543.db2.gz PVIRMBSNIHDUKE-MGPUTAFESA-N 1 0 401.482 2.844 20 0 HFADRO CCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC000787867843 1076987749 /nfs/dbraw/zinc/98/77/49/1076987749.db2.gz FRDSUQGJNHHQJZ-IRXDYDNUSA-N 1 0 405.539 2.652 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C)cnc1Cl ZINC000787898804 1077004185 /nfs/dbraw/zinc/00/41/85/1077004185.db2.gz NZSRPOHQOFSRDQ-KRWDZBQOSA-N 1 0 415.925 2.890 20 0 HFADRO COCN1C(=O)CCc2cc(NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)ccc21 ZINC000787946842 1077005712 /nfs/dbraw/zinc/00/57/12/1077005712.db2.gz VKYDUQYHAJTNJL-UHFFFAOYSA-N 1 0 422.529 2.721 20 0 HFADRO CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)C(F)(F)F ZINC000787956000 1077008403 /nfs/dbraw/zinc/00/84/03/1077008403.db2.gz ISHGUWOUPDQETC-INIZCTEOSA-N 1 0 418.435 2.752 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2F)C1 ZINC000746721984 1077010550 /nfs/dbraw/zinc/01/05/50/1077010550.db2.gz XYLBGUSMVYJECO-QGZVFWFLSA-N 1 0 406.502 2.917 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000787972972 1077013736 /nfs/dbraw/zinc/01/37/36/1077013736.db2.gz FZXNZUPUMKHADX-MUKKUYKPSA-N 1 0 421.900 2.929 20 0 HFADRO Cc1cc(=O)n2nc(COC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)sc2n1 ZINC000772711334 1077016101 /nfs/dbraw/zinc/01/61/01/1077016101.db2.gz JJTBDFHSRJNVDC-UHFFFAOYSA-N 1 0 412.515 2.805 20 0 HFADRO C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000787996720 1077022559 /nfs/dbraw/zinc/02/25/59/1077022559.db2.gz ZKAYIGGJFBNJJC-YJBOKZPZSA-N 1 0 406.552 2.654 20 0 HFADRO NC(=O)c1c(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)sc2c1CCCC2 ZINC000787995913 1077022849 /nfs/dbraw/zinc/02/28/49/1077022849.db2.gz OBWONSKKUHAKFK-FSPWUOQZSA-N 1 0 403.548 2.602 20 0 HFADRO Cc1ccccc1C[NH+]1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788009445 1077027597 /nfs/dbraw/zinc/02/75/97/1077027597.db2.gz SQPOVKVTIIEANR-UHFFFAOYSA-N 1 0 402.583 2.665 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746726077 1077041093 /nfs/dbraw/zinc/04/10/93/1077041093.db2.gz LDIDAVAHRZRUTC-UHFFFAOYSA-N 1 0 420.554 2.826 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)c2cccc(N(C)C)c2)cc1 ZINC000788053373 1077042932 /nfs/dbraw/zinc/04/29/32/1077042932.db2.gz KLNWTVLZHAJIDR-UHFFFAOYSA-N 1 0 419.547 2.592 20 0 HFADRO O=C(NOC[C@H]1CCOC1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788125937 1077060648 /nfs/dbraw/zinc/06/06/48/1077060648.db2.gz PSVWRJAUTMNVQA-INIZCTEOSA-N 1 0 401.429 2.891 20 0 HFADRO Cc1ccc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1N1CCOC1=O ZINC000746731920 1077073618 /nfs/dbraw/zinc/07/36/18/1077073618.db2.gz ZFYHMTUXKCEXEQ-QHCPKHFHSA-N 1 0 424.501 2.710 20 0 HFADRO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000788241703 1077085196 /nfs/dbraw/zinc/08/51/96/1077085196.db2.gz NAXXKAMXUOGGFJ-ROUUACIJSA-N 1 0 411.568 2.781 20 0 HFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788247756 1077086344 /nfs/dbraw/zinc/08/63/44/1077086344.db2.gz IPRUIOHYVQCWBU-OTWHNJEPSA-N 1 0 410.603 2.745 20 0 HFADRO CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000788252681 1077087265 /nfs/dbraw/zinc/08/72/65/1077087265.db2.gz PWHBMSHWSFLCQZ-SFHVURJKSA-N 1 0 417.497 2.607 20 0 HFADRO C[NH+]1CCC(NC(=O)c2ccc(NCC[C@@H]3CCc4ccc5c(c43)CCO5)nn2)CC1 ZINC001170083557 1077087311 /nfs/dbraw/zinc/08/73/11/1077087311.db2.gz YEHARFNIUNGULQ-KRWDZBQOSA-N 1 0 421.545 2.768 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NC[C@@]2(O)CCc3ccccc32)c1-c1ccccc1 ZINC000788307560 1077093242 /nfs/dbraw/zinc/09/32/42/1077093242.db2.gz CQDHPYUGCUPNGJ-DEOSSOPVSA-N 1 0 404.514 2.676 20 0 HFADRO C[C@@H](OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000772718436 1077099845 /nfs/dbraw/zinc/09/98/45/1077099845.db2.gz JFGHEIRSBKVJIU-QGZVFWFLSA-N 1 0 423.513 2.958 20 0 HFADRO C[NH+](C)CC1CCC(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788309153 1077115112 /nfs/dbraw/zinc/11/51/12/1077115112.db2.gz SDWOHIXBAUZIJN-NGKMOHNRSA-N 1 0 424.545 2.815 20 0 HFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000788436211 1077145805 /nfs/dbraw/zinc/14/58/05/1077145805.db2.gz KIXSWTZYZWTJCM-ROUUACIJSA-N 1 0 421.538 2.712 20 0 HFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000788436209 1077145883 /nfs/dbraw/zinc/14/58/83/1077145883.db2.gz KIXSWTZYZWTJCM-MSOLQXFVSA-N 1 0 421.538 2.712 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)C2CC2)C1 ZINC000788439804 1077147435 /nfs/dbraw/zinc/14/74/35/1077147435.db2.gz YOZROEYNSSNCJW-UFYCRDLUSA-N 1 0 421.582 2.782 20 0 HFADRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476480 1077172431 /nfs/dbraw/zinc/17/24/31/1077172431.db2.gz QBTABQNWFIHBRS-MOPGFXCFSA-N 1 0 410.603 2.556 20 0 HFADRO COc1ccc([C@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)N2CCOCC2)cc1 ZINC000788502238 1077183742 /nfs/dbraw/zinc/18/37/42/1077183742.db2.gz INJNCAWCUWIXFG-UWJYYQICSA-N 1 0 419.566 2.914 20 0 HFADRO [NH2+]=C(NOCc1ncc(Br)s1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000788506874 1077185926 /nfs/dbraw/zinc/18/59/26/1077185926.db2.gz YTBUKJMXYHJBNM-ZDUSSCGKSA-N 1 0 411.325 2.805 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCCSC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000788542612 1077195182 /nfs/dbraw/zinc/19/51/82/1077195182.db2.gz OBCMMCSNQBPCHF-KRWDZBQOSA-N 1 0 403.470 2.527 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000788550383 1077197822 /nfs/dbraw/zinc/19/78/22/1077197822.db2.gz YPLRSRJWHMTCKQ-UKRRQHHQSA-N 1 0 403.470 2.525 20 0 HFADRO CCc1nn(C)c(Cl)c1C[NH2+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000788530296 1077203523 /nfs/dbraw/zinc/20/35/23/1077203523.db2.gz XSBQXYBGADIHOS-INIZCTEOSA-N 1 0 422.932 2.582 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000788589309 1077214155 /nfs/dbraw/zinc/21/41/55/1077214155.db2.gz PQAGUYQRFCSBHB-ZDUSSCGKSA-N 1 0 402.333 2.846 20 0 HFADRO C[C@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788602903 1077220172 /nfs/dbraw/zinc/22/01/72/1077220172.db2.gz DECZXSNCTUTDIS-SFHVURJKSA-N 1 0 422.614 2.556 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCn2c(C)nc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788646128 1077223686 /nfs/dbraw/zinc/22/36/86/1077223686.db2.gz QYKVUTZAUTXMGS-IEBWSBKVSA-N 1 0 416.522 2.875 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)=NO1 ZINC000788620409 1077230813 /nfs/dbraw/zinc/23/08/13/1077230813.db2.gz DXWQMDLAMWEFQT-NVXWUHKLSA-N 1 0 420.510 2.592 20 0 HFADRO COC1CC[NH+](C2(CNS(=O)(=O)c3ccc(C)nc3Cl)CCCC2)CC1 ZINC000788625184 1077233848 /nfs/dbraw/zinc/23/38/48/1077233848.db2.gz NHCCTKKVJUUZRT-UHFFFAOYSA-N 1 0 401.960 2.745 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@H]1C ZINC000788635438 1077240887 /nfs/dbraw/zinc/24/08/87/1077240887.db2.gz YJAIYKAHGLQWID-ZYHUDNBSSA-N 1 0 408.973 2.990 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000788638429 1077241561 /nfs/dbraw/zinc/24/15/61/1077241561.db2.gz GQEUKNYWODMJSV-MRXNPFEDSA-N 1 0 401.511 2.502 20 0 HFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000788642516 1077244828 /nfs/dbraw/zinc/24/48/28/1077244828.db2.gz PSLPTCSRBCZVBN-GOSISDBHSA-N 1 0 418.538 2.813 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000788675600 1077246373 /nfs/dbraw/zinc/24/63/73/1077246373.db2.gz GRNFDYWBDBTTJS-UHFFFAOYSA-N 1 0 411.568 2.816 20 0 HFADRO COc1cc2c(cc1OC)CN(CC(=O)N1CCC(C)([NH+]3CCCC3)CC1)CC2 ZINC001170145998 1077247277 /nfs/dbraw/zinc/24/72/77/1077247277.db2.gz KPGVDNINMYZWBI-UHFFFAOYSA-N 1 0 401.551 2.539 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(C)c1Cl ZINC000788678816 1077247975 /nfs/dbraw/zinc/24/79/75/1077247975.db2.gz DJDAOBFWWJPPHH-UHFFFAOYSA-N 1 0 406.957 2.649 20 0 HFADRO COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)[NH+](C)C)c1 ZINC000788687015 1077250845 /nfs/dbraw/zinc/25/08/45/1077250845.db2.gz CRAPNJCBMDHYOC-VXKWHMMOSA-N 1 0 424.545 2.740 20 0 HFADRO CC(C)[C@H](Cn1cccn1)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000788688349 1077251214 /nfs/dbraw/zinc/25/12/14/1077251214.db2.gz SKQUQLGUCPQFKN-INIZCTEOSA-N 1 0 405.442 2.870 20 0 HFADRO CSc1c(C(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)cnn1C ZINC000790956512 1077253672 /nfs/dbraw/zinc/25/36/72/1077253672.db2.gz RUNIABSUCQRRBL-UHFFFAOYSA-N 1 0 424.368 2.909 20 0 HFADRO C[NH+]1CCC(CNC(=O)c2nc(Br)cs2)(N2CCCCC2)CC1 ZINC000788661709 1077258038 /nfs/dbraw/zinc/25/80/38/1077258038.db2.gz RGXXWYTVIHOIOU-UHFFFAOYSA-N 1 0 401.374 2.586 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000788666376 1077259792 /nfs/dbraw/zinc/25/97/92/1077259792.db2.gz BIANOOIMIRBTQZ-QAPCUYQASA-N 1 0 415.600 2.568 20 0 HFADRO CN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788702801 1077264397 /nfs/dbraw/zinc/26/43/97/1077264397.db2.gz AHCOYTMRXIEHGC-QFIPXVFZSA-N 1 0 424.545 2.570 20 0 HFADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000790999574 1077264561 /nfs/dbraw/zinc/26/45/61/1077264561.db2.gz ZENVFIKYQNRCQG-YJBOKZPZSA-N 1 0 403.976 2.625 20 0 HFADRO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000791007592 1077266149 /nfs/dbraw/zinc/26/61/49/1077266149.db2.gz KQPWDMOKRRXPFK-HXUWFJFHSA-N 1 0 414.477 2.885 20 0 HFADRO CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788713217 1077268719 /nfs/dbraw/zinc/26/87/19/1077268719.db2.gz SMMPKBRVZRYDGI-SFTDATJTSA-N 1 0 400.567 2.939 20 0 HFADRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788749823 1077275913 /nfs/dbraw/zinc/27/59/13/1077275913.db2.gz IIJFULMLBTYSSS-INIZCTEOSA-N 1 0 403.523 2.504 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000788755982 1077277805 /nfs/dbraw/zinc/27/78/05/1077277805.db2.gz UIZGFBCUFMKMFK-STJZUHDESA-N 1 0 406.324 2.814 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000791124367 1077294030 /nfs/dbraw/zinc/29/40/30/1077294030.db2.gz QBVXLTUANUXPAW-UHFFFAOYSA-N 1 0 404.555 2.672 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NC(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)C2=O)c(C)c1 ZINC000788809503 1077294386 /nfs/dbraw/zinc/29/43/86/1077294386.db2.gz KUAZSTBXQQYBIT-WOJBJXKFSA-N 1 0 400.567 2.994 20 0 HFADRO Cc1cc(Br)ccc1CC(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000791107322 1077300333 /nfs/dbraw/zinc/30/03/33/1077300333.db2.gz LBQHFTFEIIVLHZ-OAHLLOKOSA-N 1 0 405.296 2.884 20 0 HFADRO CCCC1N=NC(=S)N1CC(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000791119492 1077303524 /nfs/dbraw/zinc/30/35/24/1077303524.db2.gz PKIOEWSCQUBXMD-UHFFFAOYSA-N 1 0 416.595 2.997 20 0 HFADRO COCC1(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788826545 1077311156 /nfs/dbraw/zinc/31/11/56/1077311156.db2.gz FDISIJMLVGAXLL-IRXDYDNUSA-N 1 0 418.600 2.596 20 0 HFADRO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788838384 1077315947 /nfs/dbraw/zinc/31/59/47/1077315947.db2.gz QASOZGBSIDHISI-IBGZPJMESA-N 1 0 417.550 2.543 20 0 HFADRO COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000791183063 1077331379 /nfs/dbraw/zinc/33/13/79/1077331379.db2.gz BJGNNYSGKDERIR-GOSISDBHSA-N 1 0 424.563 2.514 20 0 HFADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1F ZINC000791225577 1077335300 /nfs/dbraw/zinc/33/53/00/1077335300.db2.gz NUXSDKWKOPABAW-UHFFFAOYSA-N 1 0 413.559 2.754 20 0 HFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000788918886 1077355306 /nfs/dbraw/zinc/35/53/06/1077355306.db2.gz XIIAAKDRDPBEDO-UHFFFAOYSA-N 1 0 417.018 2.548 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)c3ccc(OC)cc3)cc2)CC1 ZINC000746995357 1077365115 /nfs/dbraw/zinc/36/51/15/1077365115.db2.gz ZQKRANQJRKYKMU-QGZVFWFLSA-N 1 0 410.518 2.653 20 0 HFADRO COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000746994954 1077365649 /nfs/dbraw/zinc/36/56/49/1077365649.db2.gz VJQNFTJZHZGZPY-QGZVFWFLSA-N 1 0 410.518 2.653 20 0 HFADRO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)c3cccc(S(N)(=O)=O)c3)C2=O)c(C)c1 ZINC000788984716 1077373953 /nfs/dbraw/zinc/37/39/53/1077373953.db2.gz SVMIZVDOIANTNS-APWZRJJASA-N 1 0 401.532 2.715 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1N1CCOC1=O ZINC000746783559 1077392961 /nfs/dbraw/zinc/39/29/61/1077392961.db2.gz XGJYBOCFIYARJL-LJQANCHMSA-N 1 0 416.522 2.517 20 0 HFADRO COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000789061670 1077394629 /nfs/dbraw/zinc/39/46/29/1077394629.db2.gz MQVQTJCQDPYQPP-FAEJEUNOSA-N 1 0 405.514 2.925 20 0 HFADRO CN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)C1CCN(c2cnccn2)CC1 ZINC000789061695 1077394912 /nfs/dbraw/zinc/39/49/12/1077394912.db2.gz LIRFMFZYRHEGOI-UHFFFAOYSA-N 1 0 400.571 2.884 20 0 HFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 ZINC000747007036 1077395303 /nfs/dbraw/zinc/39/53/03/1077395303.db2.gz DIFISQSVVAGRID-UHFFFAOYSA-N 1 0 420.941 2.738 20 0 HFADRO C[C@@H](OC(=O)c1c[nH]nc1-c1ccoc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789076266 1077397963 /nfs/dbraw/zinc/39/79/63/1077397963.db2.gz BJDFSQXNSQLVIC-CRAIPNDOSA-N 1 0 408.458 2.606 20 0 HFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[NH+]1CCCCC1 ZINC000746786431 1077398181 /nfs/dbraw/zinc/39/81/81/1077398181.db2.gz HHFBKXBQHHLCNO-ZDUSSCGKSA-N 1 0 415.469 2.682 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c(-c2nc(C3CC3)no2)c1 ZINC000746785783 1077398630 /nfs/dbraw/zinc/39/86/30/1077398630.db2.gz AVNRMYOTUQBSHK-HNNXBMFYSA-N 1 0 411.506 2.852 20 0 HFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1nc(Br)ccc1F ZINC000791467506 1077440626 /nfs/dbraw/zinc/44/06/26/1077440626.db2.gz LYYPPMXTXXSKSZ-UHFFFAOYSA-N 1 0 421.314 2.531 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3n[nH]c4c3CCCCC4)CC2)cc1 ZINC000789172862 1077442789 /nfs/dbraw/zinc/44/27/89/1077442789.db2.gz KZKXTYSKYGFKBZ-UHFFFAOYSA-N 1 0 424.545 2.878 20 0 HFADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)CC1 ZINC000791471971 1077444094 /nfs/dbraw/zinc/44/40/94/1077444094.db2.gz CNNOBLRRIPADLI-QFIPXVFZSA-N 1 0 408.502 2.969 20 0 HFADRO COC(=O)c1cc(NC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)ccc1C ZINC000746792546 1077456013 /nfs/dbraw/zinc/45/60/13/1077456013.db2.gz FILWIUJUUDCRPS-UHFFFAOYSA-N 1 0 415.534 2.881 20 0 HFADRO C[NH+]1CCN(Cc2cccc(NC(=O)c3nc(Br)ccc3F)c2)CC1 ZINC000791538514 1077458195 /nfs/dbraw/zinc/45/81/95/1077458195.db2.gz BDRFISXZNNNJIS-UHFFFAOYSA-N 1 0 407.287 2.983 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2nc(Cl)cs2)CC1 ZINC000789211413 1077464776 /nfs/dbraw/zinc/46/47/76/1077464776.db2.gz SHZDSURWQVFQRH-UHFFFAOYSA-N 1 0 407.923 2.996 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3C[C@@H]([NH+](C)C)Cc4ccccc43)C2)c1 ZINC000791584048 1077472020 /nfs/dbraw/zinc/47/20/20/1077472020.db2.gz MOCXVQUQKYBDDW-AOMKIAJQSA-N 1 0 409.486 2.716 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)cc1N1CCOC1=O ZINC000746795853 1077479471 /nfs/dbraw/zinc/47/94/71/1077479471.db2.gz CGJBNALUFMDOJA-UHFFFAOYSA-N 1 0 416.522 2.663 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C(F)(F)C2CCOCC2)CC1 ZINC000791604147 1077501235 /nfs/dbraw/zinc/50/12/35/1077501235.db2.gz TYQYGLGYZRXVOX-UHFFFAOYSA-N 1 0 424.488 2.681 20 0 HFADRO Cc1cncc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001086600211 1077506284 /nfs/dbraw/zinc/50/62/84/1077506284.db2.gz GZZGKJBPEBAAMB-RBKMHILSSA-N 1 0 403.526 2.898 20 0 HFADRO C[C@H]1CN(C(=O)C[N@H+](CCCNC(=O)OC(C)(C)C)Cc2ccccc2)CCO1 ZINC000791646613 1077510078 /nfs/dbraw/zinc/51/00/78/1077510078.db2.gz CQFRMRIVSUACNF-SFHVURJKSA-N 1 0 405.539 2.651 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000789312219 1077510508 /nfs/dbraw/zinc/51/05/08/1077510508.db2.gz OMMOGJWXCCQLTQ-OALUTQOASA-N 1 0 407.942 2.996 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791654289 1077513032 /nfs/dbraw/zinc/51/30/32/1077513032.db2.gz ICUFIHNOPCHNHD-CEXWTWQISA-N 1 0 418.538 2.681 20 0 HFADRO CCCc1ccc(N2C[C@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)cc1 ZINC000791686398 1077527783 /nfs/dbraw/zinc/52/77/83/1077527783.db2.gz DUWKNDWOCDSDDT-OAQYLSRUSA-N 1 0 415.578 2.951 20 0 HFADRO CN(C)c1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2ccc(Cl)cc2)cc1 ZINC000789393915 1077535833 /nfs/dbraw/zinc/53/58/33/1077535833.db2.gz QUIIKLIEUWIFKX-UHFFFAOYSA-O 1 0 415.930 2.625 20 0 HFADRO Cc1ccc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC000789396024 1077536763 /nfs/dbraw/zinc/53/67/63/1077536763.db2.gz ZSCLCHSTQPDDDR-UHFFFAOYSA-O 1 0 410.479 2.506 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000789360945 1077537355 /nfs/dbraw/zinc/53/73/55/1077537355.db2.gz BCNJYIKYPGJLGD-KRWDZBQOSA-N 1 0 400.910 2.935 20 0 HFADRO COc1ccc(CN(C)C(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1F ZINC000789370837 1077542693 /nfs/dbraw/zinc/54/26/93/1077542693.db2.gz VPQDFHNXKVMIMQ-GOSISDBHSA-N 1 0 415.465 2.817 20 0 HFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 ZINC000746803084 1077543091 /nfs/dbraw/zinc/54/30/91/1077543091.db2.gz LLYXIQWADKEIMI-MRXNPFEDSA-N 1 0 420.504 2.694 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000791735888 1077544401 /nfs/dbraw/zinc/54/44/01/1077544401.db2.gz ZWWZKDUNIJXGFJ-NHCUHLMSSA-N 1 0 417.594 2.869 20 0 HFADRO COc1ccc(C)cc1CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000789375204 1077545059 /nfs/dbraw/zinc/54/50/59/1077545059.db2.gz QZRWKQQAICOHCG-UHFFFAOYSA-N 1 0 401.551 2.781 20 0 HFADRO COc1nc(Br)ccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000789376435 1077545756 /nfs/dbraw/zinc/54/57/56/1077545756.db2.gz XXTDTORUQLLKKJ-UHFFFAOYSA-N 1 0 413.316 2.619 20 0 HFADRO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(C)(C)O ZINC001170105956 1077555128 /nfs/dbraw/zinc/55/51/28/1077555128.db2.gz UJMSUQPSOSNFHN-SFHVURJKSA-N 1 0 417.472 2.866 20 0 HFADRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2cccc(NC(C)=O)c2)cc1 ZINC000789402554 1077560893 /nfs/dbraw/zinc/56/08/93/1077560893.db2.gz ORRKPAXCMMGWJZ-UHFFFAOYSA-O 1 0 423.522 2.947 20 0 HFADRO Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791821834 1077565088 /nfs/dbraw/zinc/56/50/88/1077565088.db2.gz FKRVWICLZVEQLZ-NBOCOGBRSA-N 1 0 402.502 2.618 20 0 HFADRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000791786047 1077569508 /nfs/dbraw/zinc/56/95/08/1077569508.db2.gz LYTANHIKJHMCSJ-UHFFFAOYSA-N 1 0 413.522 2.546 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000791827113 1077575574 /nfs/dbraw/zinc/57/55/74/1077575574.db2.gz XBTJWQBWPXOQCU-INIZCTEOSA-N 1 0 408.470 2.935 20 0 HFADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791829124 1077576544 /nfs/dbraw/zinc/57/65/44/1077576544.db2.gz VFMBEPPFVHMJOX-CCULFSDZSA-N 1 0 420.492 2.757 20 0 HFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000791829336 1077576575 /nfs/dbraw/zinc/57/65/75/1077576575.db2.gz VXIRYEZPLVHDES-MRXNPFEDSA-N 1 0 406.935 2.995 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCc3ccc(Br)cc3C1)C[NH+]1CCC2CC1 ZINC000789470086 1077585363 /nfs/dbraw/zinc/58/53/63/1077585363.db2.gz ZLHCGVPDLXIEAU-LJQANCHMSA-N 1 0 406.324 2.681 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000789487160 1077590168 /nfs/dbraw/zinc/59/01/68/1077590168.db2.gz UENKFOLXVWOGAU-UHFFFAOYSA-N 1 0 422.957 2.912 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@](C)(O)c2ccccc2C(F)(F)F)CC1 ZINC000791912769 1077608405 /nfs/dbraw/zinc/60/84/05/1077608405.db2.gz SYQJTBRQIMIVFM-IBGZPJMESA-N 1 0 402.457 2.872 20 0 HFADRO O=C(CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000791974330 1077616497 /nfs/dbraw/zinc/61/64/97/1077616497.db2.gz TVXJDUPYLPVDDW-INIZCTEOSA-N 1 0 402.445 2.725 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NC[C@H](O)c3ccccc3Cl)cccc21 ZINC000789529490 1077624998 /nfs/dbraw/zinc/62/49/98/1077624998.db2.gz VZVZBAPDVMVMBG-MSOLQXFVSA-N 1 0 417.893 2.514 20 0 HFADRO C[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792004170 1077644950 /nfs/dbraw/zinc/64/49/50/1077644950.db2.gz GCTZCJXBRBICFH-QGZVFWFLSA-N 1 0 404.555 2.906 20 0 HFADRO CCC[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H](O)c1ccccc1 ZINC000792010786 1077648609 /nfs/dbraw/zinc/64/86/09/1077648609.db2.gz AOZCICFELDAPDR-IFMALSPDSA-N 1 0 411.550 2.535 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)C2)c1 ZINC000792028972 1077657742 /nfs/dbraw/zinc/65/77/42/1077657742.db2.gz SYRQGSWYSPKYMA-PZJWPPBQSA-N 1 0 415.465 2.755 20 0 HFADRO CCC[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000792057275 1077663624 /nfs/dbraw/zinc/66/36/24/1077663624.db2.gz ORZZZYCVXHXXKD-VXKWHMMOSA-N 1 0 402.583 2.747 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000792057012 1077664207 /nfs/dbraw/zinc/66/42/07/1077664207.db2.gz LSUGZUSFBOGVRX-JPYJTQIMSA-N 1 0 423.513 2.978 20 0 HFADRO Cc1ccc(Cn2cc(C[NH2+]C[C@H]3CC(C(N)=O)=NO3)c(-c3ccc(C)cc3)n2)cc1 ZINC000789557484 1077676030 /nfs/dbraw/zinc/67/60/30/1077676030.db2.gz IXSRLHNHBVWISJ-OAQYLSRUSA-N 1 0 417.513 2.935 20 0 HFADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1 ZINC000789561248 1077679406 /nfs/dbraw/zinc/67/94/06/1077679406.db2.gz QUEWXDCILNMHEK-NRFANRHFSA-N 1 0 417.513 2.881 20 0 HFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000789560621 1077680249 /nfs/dbraw/zinc/68/02/49/1077680249.db2.gz LCBOHDFFPZBSOV-LJQANCHMSA-N 1 0 423.904 2.972 20 0 HFADRO CC(C)(C)OC(=O)NCCCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792075574 1077681774 /nfs/dbraw/zinc/68/17/74/1077681774.db2.gz LEYVWDYFTKPSPC-KDURUIRLSA-N 1 0 402.539 2.675 20 0 HFADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)CC2)c1 ZINC000792078079 1077691436 /nfs/dbraw/zinc/69/14/36/1077691436.db2.gz ZRSQLRZNSNJJJB-HSZRJFAPSA-N 1 0 423.513 2.978 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000792117758 1077703544 /nfs/dbraw/zinc/70/35/44/1077703544.db2.gz DNETVLHCNRPEOI-ZIAGYGMSSA-N 1 0 413.335 2.614 20 0 HFADRO CC[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[C@H](O)c1ccccc1 ZINC000789601427 1077704996 /nfs/dbraw/zinc/70/49/96/1077704996.db2.gz OEVIWGMZTJANMM-YSIASYRMSA-N 1 0 411.502 2.639 20 0 HFADRO COCCC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000792092823 1077712728 /nfs/dbraw/zinc/71/27/28/1077712728.db2.gz JELPWCBINFBEIS-VXKWHMMOSA-N 1 0 403.567 2.967 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1)c1ccco1 ZINC000792096858 1077713373 /nfs/dbraw/zinc/71/33/73/1077713373.db2.gz KIAJOHYYDJFOJM-NQIIRXRSSA-N 1 0 415.490 2.989 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1)c1ccco1 ZINC000792096859 1077713441 /nfs/dbraw/zinc/71/34/41/1077713441.db2.gz KIAJOHYYDJFOJM-RXVVDRJESA-N 1 0 415.490 2.989 20 0 HFADRO Cc1ccc([C@H](CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000792096247 1077713472 /nfs/dbraw/zinc/71/34/72/1077713472.db2.gz FIJQLNMUEVRXTI-FQEVSTJZSA-N 1 0 418.582 2.657 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000789651317 1077719278 /nfs/dbraw/zinc/71/92/78/1077719278.db2.gz FWKCBOPCPUQJRC-HKUYNNGSSA-N 1 0 412.559 2.726 20 0 HFADRO CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792152061 1077724444 /nfs/dbraw/zinc/72/44/44/1077724444.db2.gz HFUMDLLFGZTYQM-SFHVURJKSA-N 1 0 402.539 2.675 20 0 HFADRO C[C@H](C[C@H](O)c1cccs1)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000789685778 1077726899 /nfs/dbraw/zinc/72/68/99/1077726899.db2.gz PHWCUPDVYPBHLI-COXVUDFISA-N 1 0 417.531 2.700 20 0 HFADRO C[NH+]1CCC(NC(=O)c2ccc(NCc3ccccc3-c3cccnc3)nn2)CC1 ZINC001170115012 1077732846 /nfs/dbraw/zinc/73/28/46/1077732846.db2.gz SSHRVHMPVLIDBJ-UHFFFAOYSA-N 1 0 402.502 2.975 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2C)CC1 ZINC000789699026 1077733825 /nfs/dbraw/zinc/73/38/25/1077733825.db2.gz UIDCLIVTZZLGHR-UHFFFAOYSA-N 1 0 410.946 2.579 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000792173874 1077734156 /nfs/dbraw/zinc/73/41/56/1077734156.db2.gz YSBVJLYIXFHQDU-IBGZPJMESA-N 1 0 418.538 2.731 20 0 HFADRO COC1(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000746843149 1077737866 /nfs/dbraw/zinc/73/78/66/1077737866.db2.gz DELOSMIHBCOFKM-UHFFFAOYSA-N 1 0 411.587 2.981 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000792222674 1077748406 /nfs/dbraw/zinc/74/84/06/1077748406.db2.gz IWRSOFXQTRFBTE-UQNRQAKVSA-N 1 0 423.513 2.976 20 0 HFADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000792228082 1077752899 /nfs/dbraw/zinc/75/28/99/1077752899.db2.gz RATFGAVSSCUIBM-ILWGZMRPSA-N 1 0 411.550 2.540 20 0 HFADRO COC1CC[NH+](CCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792215903 1077768898 /nfs/dbraw/zinc/76/88/98/1077768898.db2.gz OGJUBYISDKHJST-IBGZPJMESA-N 1 0 423.529 2.661 20 0 HFADRO CC(C)CC[NH+]1CCC(CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792215669 1077769062 /nfs/dbraw/zinc/76/90/62/1077769062.db2.gz KZMPJEKNOWCLOU-UHFFFAOYSA-N 1 0 424.630 2.804 20 0 HFADRO Cc1cc(NC(=O)C(=O)NCCNc2ccccc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792281928 1077773803 /nfs/dbraw/zinc/77/38/03/1077773803.db2.gz QIQUHDUIGBLQOZ-UHFFFAOYSA-N 1 0 423.561 2.692 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000792253767 1077780678 /nfs/dbraw/zinc/78/06/78/1077780678.db2.gz VMMXKBCBBPRGSY-KRWDZBQOSA-N 1 0 420.554 2.826 20 0 HFADRO CCc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)nnn1Cc1ccc(F)cc1 ZINC000792254399 1077781157 /nfs/dbraw/zinc/78/11/57/1077781157.db2.gz JTCKPNVASLJLBN-UHFFFAOYSA-N 1 0 417.529 2.601 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000746852055 1077785471 /nfs/dbraw/zinc/78/54/71/1077785471.db2.gz ZCHUCYVFDHWDQW-OAQYLSRUSA-N 1 0 421.541 2.785 20 0 HFADRO CC1(C2CCN(C(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC2)OCCO1 ZINC000792273934 1077788917 /nfs/dbraw/zinc/78/89/17/1077788917.db2.gz CCQZSVBPGLJJNU-UHFFFAOYSA-N 1 0 419.488 2.976 20 0 HFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792304497 1077797574 /nfs/dbraw/zinc/79/75/74/1077797574.db2.gz OPDOANNTAPGPNR-LJQANCHMSA-N 1 0 418.582 2.566 20 0 HFADRO C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000792308807 1077799427 /nfs/dbraw/zinc/79/94/27/1077799427.db2.gz HNGVXMMNNDHLME-RTBURBONSA-N 1 0 422.614 2.698 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000792315717 1077803832 /nfs/dbraw/zinc/80/38/32/1077803832.db2.gz FUCJGHGUIMFWSM-IAGOWNOFSA-N 1 0 412.575 2.527 20 0 HFADRO CO[C@H]1Cc2ccc(NC(=O)C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)cc2C1 ZINC000789774508 1077808406 /nfs/dbraw/zinc/80/84/06/1077808406.db2.gz FXVOKVPAEOPSCX-PXNSSMCTSA-N 1 0 409.486 2.763 20 0 HFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000789830138 1077811607 /nfs/dbraw/zinc/81/16/07/1077811607.db2.gz NAELPEPYTFEHBD-RTWAWAEBSA-N 1 0 413.518 2.570 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000789834814 1077814601 /nfs/dbraw/zinc/81/46/01/1077814601.db2.gz AYEAJJIMYXHYMT-LJQANCHMSA-N 1 0 415.534 2.839 20 0 HFADRO C[C@H]1CN(C(=O)C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)C[C@H](C)O1 ZINC000792331597 1077821782 /nfs/dbraw/zinc/82/17/82/1077821782.db2.gz GOGYKEKMRFKKAB-ROUUACIJSA-N 1 0 409.571 2.735 20 0 HFADRO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792389268 1077831846 /nfs/dbraw/zinc/83/18/46/1077831846.db2.gz KEUWKCROJHPBJL-HNNXBMFYSA-N 1 0 406.454 2.521 20 0 HFADRO COc1nc(Br)ccc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000789878213 1077832861 /nfs/dbraw/zinc/83/28/61/1077832861.db2.gz MYEUDDBFCMJEHH-UHFFFAOYSA-N 1 0 419.323 2.852 20 0 HFADRO CSc1ccccc1CN(C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000792396758 1077833632 /nfs/dbraw/zinc/83/36/32/1077833632.db2.gz CUOGEYNZHVEIQQ-UHFFFAOYSA-N 1 0 412.559 2.757 20 0 HFADRO CN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789883557 1077834829 /nfs/dbraw/zinc/83/48/29/1077834829.db2.gz AFXJKRIWKZIRHT-FCHUYYIVSA-N 1 0 406.530 2.553 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)C2=O)c(C)c1 ZINC000789922227 1077848633 /nfs/dbraw/zinc/84/86/33/1077848633.db2.gz WOLMEGWOLZPNLO-WOJBJXKFSA-N 1 0 401.551 2.627 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3ccc4ncccc4c3)cc2)CC1 ZINC000792423872 1077850594 /nfs/dbraw/zinc/85/05/94/1077850594.db2.gz JEPPJYWWLPKXJD-UHFFFAOYSA-N 1 0 417.513 2.632 20 0 HFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nc(Br)cs1 ZINC000792424245 1077850871 /nfs/dbraw/zinc/85/08/71/1077850871.db2.gz MXJCDHWSNXVQQC-KBPBESRZSA-N 1 0 410.337 2.518 20 0 HFADRO CNC(=O)c1cncc(/C=C/C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000746864716 1077862537 /nfs/dbraw/zinc/86/25/37/1077862537.db2.gz HEXGPCXRDUPCFI-REJWQLKLSA-N 1 0 418.541 2.969 20 0 HFADRO CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000746864715 1077862594 /nfs/dbraw/zinc/86/25/94/1077862594.db2.gz HEXGPCXRDUPCFI-KWQGRVAKSA-N 1 0 418.541 2.969 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1nc(Cl)ccc1C1OCCO1 ZINC001170167137 1077870867 /nfs/dbraw/zinc/87/08/67/1077870867.db2.gz XVMDIRANGWXLFT-UHFFFAOYSA-N 1 0 403.870 2.649 20 0 HFADRO CC(C)C[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000789975061 1077878912 /nfs/dbraw/zinc/87/89/12/1077878912.db2.gz PAAFAYOSGOSWOV-NHCUHLMSSA-N 1 0 424.545 2.815 20 0 HFADRO Cn1cc(-c2cc(CNc3cccc(NC(=O)NC4CC[NH2+]CC4)c3)ccn2)cn1 ZINC001170124733 1077881775 /nfs/dbraw/zinc/88/17/75/1077881775.db2.gz CROPDYYNRYSTPW-UHFFFAOYSA-N 1 0 405.506 2.968 20 0 HFADRO C[C@@H](CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792515235 1077882314 /nfs/dbraw/zinc/88/23/14/1077882314.db2.gz FWOSVYHCXNORNM-SFHVURJKSA-N 1 0 404.555 2.618 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccncc2)nc1 ZINC001170167590 1077885639 /nfs/dbraw/zinc/88/56/39/1077885639.db2.gz PDJLPTJWQGYCOT-UHFFFAOYSA-N 1 0 404.474 2.924 20 0 HFADRO CS(=O)(=O)Nc1cccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792555236 1077901467 /nfs/dbraw/zinc/90/14/67/1077901467.db2.gz LEOWSEPBLXBKKX-UHFFFAOYSA-N 1 0 419.469 2.593 20 0 HFADRO C[C@H](CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000790034124 1077905548 /nfs/dbraw/zinc/90/55/48/1077905548.db2.gz YZYWYRGVXYXHKL-HXUWFJFHSA-N 1 0 414.594 2.716 20 0 HFADRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2ncccc2N2CC[NH2+]CC2)OC(C)(C)O1 ZINC001170207542 1077906467 /nfs/dbraw/zinc/90/64/67/1077906467.db2.gz BEOAJXZFZMTXKO-SJORKVTESA-N 1 0 420.554 2.545 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CCO1 ZINC001170207208 1077906520 /nfs/dbraw/zinc/90/65/20/1077906520.db2.gz KGOSOPFFSIBLGA-LVIHOWEASA-N 1 0 422.566 2.922 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CCO1 ZINC001170207412 1077906551 /nfs/dbraw/zinc/90/65/51/1077906551.db2.gz KNESQIIJQKXCSB-RBUKOAKNSA-N 1 0 409.571 2.735 20 0 HFADRO CC[C@H]1C[C@@H]([NH+]2CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CCO1 ZINC001170207411 1077906570 /nfs/dbraw/zinc/90/65/70/1077906570.db2.gz KNESQIIJQKXCSB-OALUTQOASA-N 1 0 409.571 2.735 20 0 HFADRO CC[C@H]1C[C@@H]([NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)CCO1 ZINC001170213166 1077908552 /nfs/dbraw/zinc/90/85/52/1077908552.db2.gz HHBZYVGBKBZINT-ROUUACIJSA-N 1 0 408.564 2.739 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000792569396 1077908788 /nfs/dbraw/zinc/90/87/88/1077908788.db2.gz AEYNFYOLYCONLU-UHFFFAOYSA-N 1 0 404.426 2.789 20 0 HFADRO CC[C@H]1C[C@H]([N@@H+]2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214705 1077908807 /nfs/dbraw/zinc/90/88/07/1077908807.db2.gz SOXCTTJZCLQLDG-XWSHUIEDSA-N 1 0 422.591 2.879 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@@H]3C)CCO1 ZINC001170214222 1077908833 /nfs/dbraw/zinc/90/88/33/1077908833.db2.gz MQXINACSPISQQF-ATZDWAIDSA-N 1 0 407.580 2.991 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)CCO1 ZINC001170215411 1077908949 /nfs/dbraw/zinc/90/89/49/1077908949.db2.gz BQUVLLNRAQVPJR-SLFFLAALSA-N 1 0 403.567 2.926 20 0 HFADRO CN(C)c1ccc(N2CCC(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000790026771 1077918240 /nfs/dbraw/zinc/91/82/40/1077918240.db2.gz KOOCKHZTDOCJPO-UHFFFAOYSA-N 1 0 416.591 2.762 20 0 HFADRO CCOC(=O)c1cccc(Oc2ccc(NC[C@H]3O[C@H](C(C)C)O[C@@H]3C[NH3+])nn2)c1 ZINC001170272320 1077925559 /nfs/dbraw/zinc/92/55/59/1077925559.db2.gz IELOAWVGOGZQKV-CBGDNZLLSA-N 1 0 416.478 2.582 20 0 HFADRO C[C@@](CO)([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC001170273397 1077925844 /nfs/dbraw/zinc/92/58/44/1077925844.db2.gz OLDMORMOHKLBTM-AWEZNQCLSA-N 1 0 416.227 2.569 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)O1 ZINC001170273876 1077925870 /nfs/dbraw/zinc/92/58/70/1077925870.db2.gz SOPRHWOXEJDCLF-HLIPFELVSA-N 1 0 406.433 2.749 20 0 HFADRO COC(=O)c1nc(Cl)c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c(Cl)c1Cl ZINC001170274094 1077926165 /nfs/dbraw/zinc/92/61/65/1077926165.db2.gz VXWGVQISXWKNCO-KDZIRCDLSA-N 1 0 412.701 2.965 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001170274446 1077926233 /nfs/dbraw/zinc/92/62/33/1077926233.db2.gz RJRZXMYOLCBGMS-AFYVEPGGSA-N 1 0 406.954 2.714 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001170275362 1077926533 /nfs/dbraw/zinc/92/65/33/1077926533.db2.gz GPSATDLCEBBDHK-HPBDAGMYSA-N 1 0 400.910 2.894 20 0 HFADRO NC(=O)c1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](n3ccnc3)C1)CCCC2 ZINC000772746675 1077928150 /nfs/dbraw/zinc/92/81/50/1077928150.db2.gz FDNDVZWHTBRLJZ-CQSZACIVSA-N 1 0 401.536 2.588 20 0 HFADRO C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCC4C[NH+](C)C4)c23)C1 ZINC001170253540 1077928173 /nfs/dbraw/zinc/92/81/73/1077928173.db2.gz NWTYFWHCUQLFLU-CQSZACIVSA-N 1 0 401.580 2.622 20 0 HFADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC000790048578 1077928391 /nfs/dbraw/zinc/92/83/91/1077928391.db2.gz IPMWKRAMCJZKQG-WOJBJXKFSA-N 1 0 400.544 2.964 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)C(C)(C)C ZINC000790052419 1077932448 /nfs/dbraw/zinc/93/24/48/1077932448.db2.gz JZFJHBWXIZGRJG-NRFANRHFSA-N 1 0 416.610 2.818 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(=O)OCc3ccccc3F)cn2)O1 ZINC001170277997 1077934479 /nfs/dbraw/zinc/93/44/79/1077934479.db2.gz OIGYWPGSFCHITR-OPYAIIAOSA-N 1 0 403.454 2.714 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 ZINC001170285716 1077938054 /nfs/dbraw/zinc/93/80/54/1077938054.db2.gz UQGNPCPGAXGUOW-ZWVMGRIOSA-N 1 0 416.953 2.771 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)c1ccc(-n2cncn2)nc1)c1cccc(C(F)(F)F)c1 ZINC001170320428 1077942331 /nfs/dbraw/zinc/94/23/31/1077942331.db2.gz MCMPBFFNTDUYOY-INIZCTEOSA-N 1 0 404.396 2.714 20 0 HFADRO COC(=O)N1CCC(C(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001170321542 1077943031 /nfs/dbraw/zinc/94/30/31/1077943031.db2.gz UTVNHPWKVDXCNG-MRXNPFEDSA-N 1 0 401.429 2.903 20 0 HFADRO CC1(C)C[C@H](O)CC[N@H+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC001170307763 1077948090 /nfs/dbraw/zinc/94/80/90/1077948090.db2.gz HXANAKQEYGMJKU-GOSISDBHSA-N 1 0 402.535 2.826 20 0 HFADRO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC001170349854 1077955624 /nfs/dbraw/zinc/95/56/24/1077955624.db2.gz XZKPQLRUQXLYON-MOPGFXCFSA-N 1 0 416.566 2.563 20 0 HFADRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000790143114 1077955819 /nfs/dbraw/zinc/95/58/19/1077955819.db2.gz WZEVBBOFSHUSDJ-UHFFFAOYSA-N 1 0 416.497 2.914 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000790144951 1077956306 /nfs/dbraw/zinc/95/63/06/1077956306.db2.gz MGCOHPKQKFNSQT-FQEVSTJZSA-N 1 0 413.543 2.728 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1nc(C)cc(OC2CC[NH2+]CC2)n1 ZINC001170393517 1077958844 /nfs/dbraw/zinc/95/88/44/1077958844.db2.gz IOMPPQXTBVOQEN-SFHVURJKSA-N 1 0 402.470 2.641 20 0 HFADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)c2)CC1 ZINC000509454748 1077964457 /nfs/dbraw/zinc/96/44/57/1077964457.db2.gz WBWIZDDIFORAQJ-UHFFFAOYSA-N 1 0 401.942 2.761 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001170417406 1077964514 /nfs/dbraw/zinc/96/45/14/1077964514.db2.gz KKEIUHFVHIONHR-RCCFBDPRSA-N 1 0 406.523 2.944 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000790208904 1077970620 /nfs/dbraw/zinc/97/06/20/1077970620.db2.gz VONICWGBCXTGHI-QGZVFWFLSA-N 1 0 423.517 2.623 20 0 HFADRO C[C@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792718775 1077973839 /nfs/dbraw/zinc/97/38/39/1077973839.db2.gz QAJLVHVWMFDBCL-HNAYVOBHSA-N 1 0 401.894 2.600 20 0 HFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1ccc(Cl)nc1C ZINC000790237889 1077973909 /nfs/dbraw/zinc/97/39/09/1077973909.db2.gz STDBBDMCZJPHJZ-UHFFFAOYSA-N 1 0 424.954 2.834 20 0 HFADRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CC(=O)N(CC(F)(F)F)C2)c1=S ZINC000792720021 1077974071 /nfs/dbraw/zinc/97/40/71/1077974071.db2.gz QQVISWUTCBBUSM-ZDUSSCGKSA-N 1 0 422.521 2.848 20 0 HFADRO CC(=O)N1CCN(c2ccccc2CNc2cc[nH+]c(C)c2Br)CC1 ZINC000792692718 1077976960 /nfs/dbraw/zinc/97/69/60/1077976960.db2.gz VSMXSNXHWYSKCP-UHFFFAOYSA-N 1 0 403.324 2.855 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)Cc3ccc(Cl)cn3)cc2)CC1 ZINC000792706348 1077978971 /nfs/dbraw/zinc/97/89/71/1077978971.db2.gz YPYIVXMVIWUJGT-UHFFFAOYSA-N 1 0 416.909 2.601 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)C[C@H]1CCCOC1 ZINC000792747176 1077983610 /nfs/dbraw/zinc/98/36/10/1077983610.db2.gz IKNLTXZNUHLIQW-INIZCTEOSA-N 1 0 419.385 2.569 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3CC(c4cccnc4)=NO3)CC2)c1 ZINC000790293637 1077987883 /nfs/dbraw/zinc/98/78/83/1077987883.db2.gz VDBILDUOYWLMDP-HSZRJFAPSA-N 1 0 421.545 2.602 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3CC(c4cccnc4)=NO3)CC2)c1 ZINC000790293638 1077987950 /nfs/dbraw/zinc/98/79/50/1077987950.db2.gz VDBILDUOYWLMDP-QHCPKHFHSA-N 1 0 421.545 2.602 20 0 HFADRO COc1cccc([C@H](CNC(=O)N(CCO)Cc2cccnc2Cl)[NH+](C)C)c1 ZINC000792789412 1077991902 /nfs/dbraw/zinc/99/19/02/1077991902.db2.gz IRKVQEUOOLZINY-SFHVURJKSA-N 1 0 406.914 2.550 20 0 HFADRO S=C(NCCc1ccc2c(c1)OCCO2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000772821252 1077992616 /nfs/dbraw/zinc/99/26/16/1077992616.db2.gz WWYZQFXWUAQJSN-MJGOQNOKSA-N 1 0 401.576 2.824 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000792794769 1077994126 /nfs/dbraw/zinc/99/41/26/1077994126.db2.gz NEEIKJFAHXEJOH-XZOQPEGZSA-N 1 0 408.546 2.668 20 0 HFADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]CCS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000790312795 1077994418 /nfs/dbraw/zinc/99/44/18/1077994418.db2.gz UEQPZGITMZNADE-IBGZPJMESA-N 1 0 400.516 2.882 20 0 HFADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)[C@H]2CCCC[C@H]12 ZINC000790315723 1077994968 /nfs/dbraw/zinc/99/49/68/1077994968.db2.gz XXVSASDJHWJUKC-ACKJQQFISA-N 1 0 419.610 2.950 20 0 HFADRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000790315274 1077995182 /nfs/dbraw/zinc/99/51/82/1077995182.db2.gz WSJHRVBBWGGQSU-CDMIOBSGSA-N 1 0 409.571 2.830 20 0 HFADRO CCC[N@H+]([C@H]1CCN(C2CCOCC2)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790300362 1077999137 /nfs/dbraw/zinc/99/91/37/1077999137.db2.gz VDDCYUMUAHFTML-IBGZPJMESA-N 1 0 409.571 2.878 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(CCO)Cc1ccc(Br)s1 ZINC000790357078 1078003177 /nfs/dbraw/zinc/00/31/77/1078003177.db2.gz RFYMLBMCHMRXAP-GFCCVEGCSA-N 1 0 406.415 2.664 20 0 HFADRO CC(C)[C@H](CCN(C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363684 1078005138 /nfs/dbraw/zinc/00/51/38/1078005138.db2.gz BJQAEHVORDIIEX-AVRDEDQJSA-N 1 0 424.586 2.732 20 0 HFADRO CCOC1(C(=O)OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CCCC1 ZINC000792825445 1078006039 /nfs/dbraw/zinc/00/60/39/1078006039.db2.gz OXUYZBFSXSSHOA-UHFFFAOYSA-N 1 0 403.523 2.660 20 0 HFADRO [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2NCCNC(=O)c2ccc(Cl)cn2)CC1 ZINC001170421273 1078007568 /nfs/dbraw/zinc/00/75/68/1078007568.db2.gz DHMRPBBAHITJEQ-WKILWMFISA-N 1 0 415.925 2.577 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(C(N)=O)CCN(Cc2ccccc2)CC1 ZINC001170421913 1078009240 /nfs/dbraw/zinc/00/92/40/1078009240.db2.gz SPNSQJAWWGDWSX-HXUWFJFHSA-N 1 0 409.530 2.846 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000792867212 1078011862 /nfs/dbraw/zinc/01/18/62/1078011862.db2.gz MLHXFWNFNBYHCP-OKZBNKHCSA-N 1 0 400.585 2.923 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1)OCc1ccccc1 ZINC000792871992 1078012144 /nfs/dbraw/zinc/01/21/44/1078012144.db2.gz MEQHWJXWVHRWAR-ACRUOGEOSA-N 1 0 414.550 2.961 20 0 HFADRO O=C1O[C@]2(CN1CN1CCc3cc(Br)ccc3C1)C[NH+]1CCC2CC1 ZINC000790390338 1078012821 /nfs/dbraw/zinc/01/28/21/1078012821.db2.gz SPLMIWOTCSZGGM-IBGZPJMESA-N 1 0 406.324 2.681 20 0 HFADRO C[C@H](c1ccccc1Cl)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365345 1078015161 /nfs/dbraw/zinc/01/51/61/1078015161.db2.gz FYVLGGPXLVZWKX-VGOFRKELSA-N 1 0 418.969 2.893 20 0 HFADRO Cc1c(Cl)cccc1N1CCC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000792886637 1078017088 /nfs/dbraw/zinc/01/70/88/1078017088.db2.gz FVIVWEQJEUAJTL-UHFFFAOYSA-N 1 0 407.942 2.526 20 0 HFADRO C[C@H](CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000792893572 1078018103 /nfs/dbraw/zinc/01/81/03/1078018103.db2.gz VRABJGGAJHJIJG-PBHICJAKSA-N 1 0 423.355 2.506 20 0 HFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000792930869 1078028164 /nfs/dbraw/zinc/02/81/64/1078028164.db2.gz CTWRTHIBIBUNKK-OYRHEFFESA-N 1 0 424.545 2.910 20 0 HFADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792937847 1078029466 /nfs/dbraw/zinc/02/94/66/1078029466.db2.gz ZZRYVYSXWZBMKY-JKIFEVAISA-N 1 0 410.474 2.606 20 0 HFADRO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790436771 1078030431 /nfs/dbraw/zinc/03/04/31/1078030431.db2.gz KFSGJJFFUAYDJH-PLQHRBFRSA-N 1 0 421.908 2.854 20 0 HFADRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792973823 1078030438 /nfs/dbraw/zinc/03/04/38/1078030438.db2.gz NYHDJSBVLDOLJO-DOTOQJQBSA-N 1 0 413.509 2.919 20 0 HFADRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792973827 1078030674 /nfs/dbraw/zinc/03/06/74/1078030674.db2.gz NYHDJSBVLDOLJO-WBVHZDCISA-N 1 0 413.509 2.919 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[NH+](CC4CC4)CC3)c2ccc1Br ZINC000790437506 1078031008 /nfs/dbraw/zinc/03/10/08/1078031008.db2.gz OCQNCJNHIIKVSS-UHFFFAOYSA-N 1 0 407.312 2.571 20 0 HFADRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790439513 1078031689 /nfs/dbraw/zinc/03/16/89/1078031689.db2.gz OBBWSVKQVSBGDF-LBPRGKRZSA-N 1 0 424.295 2.961 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nc1Br ZINC000792947310 1078032128 /nfs/dbraw/zinc/03/21/28/1078032128.db2.gz GMJRGKQIBXXQMP-CQSZACIVSA-N 1 0 405.296 2.510 20 0 HFADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCCCCC1 ZINC000792953046 1078034200 /nfs/dbraw/zinc/03/42/00/1078034200.db2.gz ZOQSZUAMCHRAHC-CQSZACIVSA-N 1 0 411.344 2.799 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000792954591 1078034224 /nfs/dbraw/zinc/03/42/24/1078034224.db2.gz OYZQMUMMMQVAQE-HNNXBMFYSA-N 1 0 417.307 2.563 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000792953975 1078034445 /nfs/dbraw/zinc/03/44/45/1078034445.db2.gz WXBMPVLZLCVPKK-HNNXBMFYSA-N 1 0 417.307 2.736 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000792954028 1078034550 /nfs/dbraw/zinc/03/45/50/1078034550.db2.gz WXBMPVLZLCVPKK-OAHLLOKOSA-N 1 0 417.307 2.736 20 0 HFADRO Cc1ccc2c(c1)CCN(CN1C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C1=O)C2 ZINC000790453477 1078036457 /nfs/dbraw/zinc/03/64/57/1078036457.db2.gz XMZNUQWSHVVGPK-RUZDIDTESA-N 1 0 418.541 2.897 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(Br)n2)[NH+](C)C)cc1 ZINC000792970714 1078039206 /nfs/dbraw/zinc/03/92/06/1078039206.db2.gz VVUXPXDPGCDZIR-OAHLLOKOSA-N 1 0 419.323 2.819 20 0 HFADRO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)Nc3ccccc3)CC2)C1 ZINC001170137237 1078041489 /nfs/dbraw/zinc/04/14/89/1078041489.db2.gz NIMQLMWMEVVTQC-KHHDVDEJSA-N 1 0 419.591 2.930 20 0 HFADRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000790486388 1078042521 /nfs/dbraw/zinc/04/25/21/1078042521.db2.gz ADVSLWUZOXHCPU-OALUTQOASA-N 1 0 405.587 2.979 20 0 HFADRO C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806300616 1079552886 /nfs/dbraw/zinc/55/28/86/1079552886.db2.gz OBYJKSCJWTYEIN-XPCVCDNBSA-N 1 0 420.501 2.838 20 0 HFADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806300413 1079553503 /nfs/dbraw/zinc/55/35/03/1079553503.db2.gz HVWAXYIIMPRBSR-LJQANCHMSA-N 1 0 403.571 2.538 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CCC2 ZINC000806301771 1079554139 /nfs/dbraw/zinc/55/41/39/1079554139.db2.gz WLPUFMZQYKPKBU-DUXKGJEZSA-N 1 0 423.561 2.737 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806303676 1079556256 /nfs/dbraw/zinc/55/62/56/1079556256.db2.gz QGLFVRVJUSYJLV-JRGCBEDISA-N 1 0 423.561 2.594 20 0 HFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3[C@H](C)C[N@H+](C)[C@@H](C)[C@H]3C)c2)C1 ZINC001130584550 1079557824 /nfs/dbraw/zinc/55/78/24/1079557824.db2.gz CDBLAHKOUJTIJL-MTHXSQLBSA-N 1 0 421.607 2.906 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000806307325 1079560108 /nfs/dbraw/zinc/56/01/08/1079560108.db2.gz BUEZZCWJIRERSC-VQTJNVASSA-N 1 0 404.555 2.860 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000806308945 1079561331 /nfs/dbraw/zinc/56/13/31/1079561331.db2.gz ZVSZHTTYNABYTG-WMLDXEAASA-N 1 0 405.392 2.565 20 0 HFADRO CN(C)S(=O)(=O)c1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000747315211 1079565312 /nfs/dbraw/zinc/56/53/12/1079565312.db2.gz YILJYTKNLXFMBM-UHFFFAOYSA-N 1 0 411.543 2.603 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000806287495 1079572705 /nfs/dbraw/zinc/57/27/05/1079572705.db2.gz GAYLDXBUDZHQSP-FGZHOGPDSA-N 1 0 409.530 2.601 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000747324677 1079592976 /nfs/dbraw/zinc/59/29/76/1079592976.db2.gz CXMDKHVGQSFAGC-WOJBJXKFSA-N 1 0 403.486 2.527 20 0 HFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000806324295 1079594582 /nfs/dbraw/zinc/59/45/82/1079594582.db2.gz LZGAZENJIGVCJX-HXUWFJFHSA-N 1 0 420.513 2.778 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(C)(C)C ZINC000806324639 1079597006 /nfs/dbraw/zinc/59/70/06/1079597006.db2.gz PMSCNCLEFYQNLC-FQEVSTJZSA-N 1 0 422.658 2.974 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2)cc1 ZINC000806391940 1079642741 /nfs/dbraw/zinc/64/27/41/1079642741.db2.gz WVLKJFSGRXQOPY-UYAOXDASSA-N 1 0 402.583 2.563 20 0 HFADRO C[NH+](C)CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000806371180 1079658038 /nfs/dbraw/zinc/65/80/38/1079658038.db2.gz HLCGCVYOTAETAP-XMMPIXPASA-N 1 0 424.589 2.958 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000806370780 1079658572 /nfs/dbraw/zinc/65/85/72/1079658572.db2.gz KDRWNMWKOBUEJU-NRFANRHFSA-N 1 0 416.566 2.956 20 0 HFADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccccc1O2 ZINC000806415005 1079661312 /nfs/dbraw/zinc/66/13/12/1079661312.db2.gz YYZSPKNDBICWTC-MRXNPFEDSA-N 1 0 414.893 2.552 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)CCC2 ZINC000806426184 1079670523 /nfs/dbraw/zinc/67/05/23/1079670523.db2.gz YSKLBZICOMLMFC-HKUYNNGSSA-N 1 0 412.559 2.726 20 0 HFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccon2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000806398912 1079685755 /nfs/dbraw/zinc/68/57/55/1079685755.db2.gz XWOATVOGELGTRT-WMLDXEAASA-N 1 0 424.423 2.509 20 0 HFADRO C[N@H+](CCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)C1CCCCC1 ZINC000806399496 1079687770 /nfs/dbraw/zinc/68/77/70/1079687770.db2.gz PWDALNQMARBAGL-UYAOXDASSA-N 1 0 424.586 2.720 20 0 HFADRO [NH3+]CCOCCOCCNc1ccc(-c2ccc(C3OCCCO3)c(F)c2)cn1 ZINC001170508536 1079702759 /nfs/dbraw/zinc/70/27/59/1079702759.db2.gz SKFFKMDWWGFPBZ-UHFFFAOYSA-N 1 0 405.470 2.727 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)NCC(=O)NCc2ccccc2)[NH+](C)C)cc1 ZINC000806444380 1079713798 /nfs/dbraw/zinc/71/37/98/1079713798.db2.gz UFBVEEIJKCKOEZ-OAQYLSRUSA-N 1 0 412.534 2.692 20 0 HFADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@H]2[NH2+]CCOCC2CC2)c1 ZINC001130632713 1079717404 /nfs/dbraw/zinc/71/74/04/1079717404.db2.gz NPQVEPULRZWVFK-SXFAUFNYSA-N 1 0 400.567 2.557 20 0 HFADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@H]2[NH2+]CCOC2CCC2)c1 ZINC001130635247 1079723602 /nfs/dbraw/zinc/72/36/02/1079723602.db2.gz QAEMZVRCRWCADD-HBFRDEGOSA-N 1 0 400.567 2.700 20 0 HFADRO O=C(OCc1ccccc1)N1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000747333222 1079743651 /nfs/dbraw/zinc/74/36/51/1079743651.db2.gz YNQSWUTYYLRPGY-OAQYLSRUSA-N 1 0 415.534 2.501 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccc(-n3ccnc3C)nc2)cc1 ZINC000806495412 1079745652 /nfs/dbraw/zinc/74/56/52/1079745652.db2.gz QBNFERJMAQKJNC-HXUWFJFHSA-N 1 0 408.506 2.686 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000806502596 1079754353 /nfs/dbraw/zinc/75/43/53/1079754353.db2.gz HHDRPCVVXMJJKQ-ZCNNSNEGSA-N 1 0 421.969 2.601 20 0 HFADRO CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CSCCS1)[NH2+][C@@H](C)c1ccccc1 ZINC000806478526 1079765055 /nfs/dbraw/zinc/76/50/55/1079765055.db2.gz PPFXXZRZQLHZOD-QXAKKESOSA-N 1 0 423.648 2.833 20 0 HFADRO C[NH+](C)CCCCCCCNC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000806541579 1079780562 /nfs/dbraw/zinc/78/05/62/1079780562.db2.gz LLLBHRWLNXTSND-RTBURBONSA-N 1 0 416.566 2.717 20 0 HFADRO C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc[nH]1 ZINC000806522915 1079799827 /nfs/dbraw/zinc/79/98/27/1079799827.db2.gz QIJPCLXLXSELMG-CQSZACIVSA-N 1 0 410.440 2.801 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC001170510330 1079814416 /nfs/dbraw/zinc/81/44/16/1079814416.db2.gz UAXUTNBDHCONDL-QKCSRTOESA-N 1 0 402.310 2.599 20 0 HFADRO O=C(N1CC[C@H]2NC(=O)CC[C@@H]2C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001130690246 1079851761 /nfs/dbraw/zinc/85/17/61/1079851761.db2.gz KPXRPGILOAGOSC-MBOZVWFJSA-N 1 0 409.452 2.568 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000806651127 1079869610 /nfs/dbraw/zinc/86/96/10/1079869610.db2.gz KOSSFRUTWBDMLK-HXUWFJFHSA-N 1 0 410.562 2.699 20 0 HFADRO Cc1cccn2cc(COc3ccc(C(=O)NC[C@H]4C[N@@H+]5CCC[C@@H]5CO4)cc3)nc12 ZINC000747341897 1079875991 /nfs/dbraw/zinc/87/59/91/1079875991.db2.gz IPBLNLHOYOFCHO-IRLDBZIGSA-N 1 0 420.513 2.815 20 0 HFADRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000806625615 1079882473 /nfs/dbraw/zinc/88/24/73/1079882473.db2.gz IHUDCUUOVVDEJG-LJQANCHMSA-N 1 0 413.536 2.501 20 0 HFADRO Cc1nc(-c2ccc(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)cc2)cs1 ZINC000806624649 1079883045 /nfs/dbraw/zinc/88/30/45/1079883045.db2.gz DSSPEQDQYLJRSM-UHFFFAOYSA-N 1 0 410.561 2.965 20 0 HFADRO C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(-n2cccn2)c1 ZINC000806636012 1079892835 /nfs/dbraw/zinc/89/28/35/1079892835.db2.gz YTOQIBZYXYZHJA-PELRDEGISA-N 1 0 423.561 2.963 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000806639446 1079896042 /nfs/dbraw/zinc/89/60/42/1079896042.db2.gz OBHPLLAVLYTYES-SJORKVTESA-N 1 0 408.568 2.880 20 0 HFADRO O=C(COc1ccc2ccccc2c1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747342738 1079924367 /nfs/dbraw/zinc/92/43/67/1079924367.db2.gz NWLQRKRGVRLFMC-HZPDHXFCSA-N 1 0 419.319 2.961 20 0 HFADRO Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001130707510 1079927163 /nfs/dbraw/zinc/92/71/63/1079927163.db2.gz WVWDXLQXNRWLPP-UHFFFAOYSA-N 1 0 414.575 2.623 20 0 HFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)COCc2ccccn2)CC1 ZINC000806720842 1079945146 /nfs/dbraw/zinc/94/51/46/1079945146.db2.gz FYSUEPFAAPGUNF-KRWDZBQOSA-N 1 0 400.498 2.757 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000806726070 1079949614 /nfs/dbraw/zinc/94/96/14/1079949614.db2.gz LBCJSWXJNAJFQQ-LJQANCHMSA-N 1 0 420.554 2.779 20 0 HFADRO CN(C)C(=O)C1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1 ZINC000806763960 1079983950 /nfs/dbraw/zinc/98/39/50/1079983950.db2.gz AOQMELWOIWLMPY-UHFFFAOYSA-N 1 0 400.523 2.698 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@@H]3CCO[C@H]3c3ccncc3)cc2)CC1 ZINC001130741724 1080004865 /nfs/dbraw/zinc/00/48/65/1080004865.db2.gz CJLXQVSGBLMURT-PKTZIBPZSA-N 1 0 424.545 2.814 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CCN(C(=O)OC(C)C)CC2)cc1 ZINC000806795534 1080014731 /nfs/dbraw/zinc/01/47/31/1080014731.db2.gz CRWBBRYFDBXISL-IBGZPJMESA-N 1 0 406.527 2.607 20 0 HFADRO C[C@H](CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](C)CO)c1ccccc1 ZINC000806814157 1080027454 /nfs/dbraw/zinc/02/74/54/1080027454.db2.gz KRSGPDDGPKZBRE-XQBPLPMBSA-N 1 0 403.567 2.826 20 0 HFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)[NH+]1CCCCC1 ZINC000806857303 1080061406 /nfs/dbraw/zinc/06/14/06/1080061406.db2.gz PAAYYLLNNIHQTG-LBPRGKRZSA-N 1 0 403.857 2.913 20 0 HFADRO CCOC(=O)C1=C(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)CC[NH2+]C1 ZINC001170513994 1080098304 /nfs/dbraw/zinc/09/83/04/1080098304.db2.gz LWAKRRJTLTYHKZ-UHFFFAOYSA-N 1 0 402.401 2.835 20 0 HFADRO COCc1c(NCCOCCOCC[NH3+])cccc1OCc1ccc(OC)cc1 ZINC001170513492 1080106010 /nfs/dbraw/zinc/10/60/10/1080106010.db2.gz LMXUHGPOUXJWBH-UHFFFAOYSA-N 1 0 404.507 2.824 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000806902685 1080109206 /nfs/dbraw/zinc/10/92/06/1080109206.db2.gz BLXFJMZSTYNLPN-LJQANCHMSA-N 1 0 412.575 2.528 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000806953106 1080163536 /nfs/dbraw/zinc/16/35/36/1080163536.db2.gz HGWTUJVVJJYSCR-SXLOBPIMSA-N 1 0 402.539 2.960 20 0 HFADRO CCN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806994282 1080173311 /nfs/dbraw/zinc/17/33/11/1080173311.db2.gz BMKREEQWMWBOIY-OAQYLSRUSA-N 1 0 409.530 2.976 20 0 HFADRO Cc1cc(Br)cc2cc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)oc21 ZINC001130807363 1080175998 /nfs/dbraw/zinc/17/59/98/1080175998.db2.gz UBCURZMZNNDVQM-UHFFFAOYSA-N 1 0 410.312 2.596 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1 ZINC000807037860 1080227347 /nfs/dbraw/zinc/22/73/47/1080227347.db2.gz DRXKIDGLTZRYGZ-SFTDATJTSA-N 1 0 412.509 2.919 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1 ZINC000807037857 1080227521 /nfs/dbraw/zinc/22/75/21/1080227521.db2.gz DRXKIDGLTZRYGZ-LEWJYISDSA-N 1 0 412.509 2.919 20 0 HFADRO CN(C(=O)c1cc(Br)ncc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000807071468 1080254729 /nfs/dbraw/zinc/25/47/29/1080254729.db2.gz KQMQPAQEHOQHTA-CYBMUJFWSA-N 1 0 415.763 2.738 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807072445 1080255626 /nfs/dbraw/zinc/25/56/26/1080255626.db2.gz PONNANXFPBMHAL-XMMPIXPASA-N 1 0 409.530 2.881 20 0 HFADRO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2COC3(CCOCC3)O2)[NH+](C)C)cc1 ZINC000807077496 1080258826 /nfs/dbraw/zinc/25/88/26/1080258826.db2.gz HVHSMLGLSGNEEK-SFTDATJTSA-N 1 0 419.566 2.709 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089566 1080267581 /nfs/dbraw/zinc/26/75/81/1080267581.db2.gz HSYVEITZNQVFFE-DENIHFKCSA-N 1 0 415.578 2.755 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000807091955 1080270620 /nfs/dbraw/zinc/27/06/20/1080270620.db2.gz MTGQFERXYJTCCK-JOCHJYFZSA-N 1 0 413.562 2.747 20 0 HFADRO NC(=O)c1ccc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)nc1Cl ZINC000807095936 1080273635 /nfs/dbraw/zinc/27/36/35/1080273635.db2.gz COOLZOURYABUME-UHFFFAOYSA-N 1 0 402.882 2.951 20 0 HFADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC001130842434 1080276180 /nfs/dbraw/zinc/27/61/80/1080276180.db2.gz HHMCAUPVKZYBGY-LJQANCHMSA-N 1 0 413.543 2.651 20 0 HFADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)no1 ZINC001130843676 1080277710 /nfs/dbraw/zinc/27/77/10/1080277710.db2.gz MOFGMVPXGYBURM-RDJZCZTQSA-N 1 0 416.547 2.953 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)NCc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1 ZINC000807099311 1080279398 /nfs/dbraw/zinc/27/93/98/1080279398.db2.gz QYDCMTAVPZTBEO-LJQANCHMSA-N 1 0 400.454 2.884 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)NCc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1 ZINC000807099310 1080279608 /nfs/dbraw/zinc/27/96/08/1080279608.db2.gz QYDCMTAVPZTBEO-IBGZPJMESA-N 1 0 400.454 2.884 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000747372721 1080286379 /nfs/dbraw/zinc/28/63/79/1080286379.db2.gz ABYWYOUERQIXND-KZNAEPCWSA-N 1 0 409.571 2.924 20 0 HFADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000807139617 1080299698 /nfs/dbraw/zinc/29/96/98/1080299698.db2.gz UMNGQOAVFSFKMU-ZULIPRJHSA-N 1 0 402.539 2.816 20 0 HFADRO COC(=O)N1CCC([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000807147572 1080302868 /nfs/dbraw/zinc/30/28/68/1080302868.db2.gz GEBYFLODHJTACC-QKLQHJQFSA-N 1 0 402.539 2.816 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000807150695 1080309189 /nfs/dbraw/zinc/30/91/89/1080309189.db2.gz VOXHSINUBDHGQW-OAHLLOKOSA-N 1 0 418.460 2.888 20 0 HFADRO CCc1nocc1C[N@H+](C)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001170518753 1080311037 /nfs/dbraw/zinc/31/10/37/1080311037.db2.gz JSUJLQBCNGRWFV-GOSISDBHSA-N 1 0 411.424 2.849 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000807163288 1080320795 /nfs/dbraw/zinc/32/07/95/1080320795.db2.gz NDGNUCQTSNBQCX-LPHOPBHVSA-N 1 0 404.555 2.988 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)[C@H](C)C1 ZINC000807173650 1080327728 /nfs/dbraw/zinc/32/77/28/1080327728.db2.gz ASUWECOHMZCGPQ-TYNCELHUSA-N 1 0 402.322 2.914 20 0 HFADRO C[C@@H]1CN(C(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000807176814 1080330501 /nfs/dbraw/zinc/33/05/01/1080330501.db2.gz HWUACAKXFAJGSR-QGCDCVKKSA-N 1 0 418.969 2.708 20 0 HFADRO COc1ccc(C2=NO[C@@H](CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1C ZINC000807214871 1080365935 /nfs/dbraw/zinc/36/59/35/1080365935.db2.gz RDDCQYVAPRAFKZ-ZZJWQFMZSA-N 1 0 400.523 2.763 20 0 HFADRO C[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000807177447 1080369707 /nfs/dbraw/zinc/36/97/07/1080369707.db2.gz YTPVFIIDWDOSTQ-IUODEOHRSA-N 1 0 415.763 2.596 20 0 HFADRO C[C@H]1C[N@H+](CCCNC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000807181104 1080373594 /nfs/dbraw/zinc/37/35/94/1080373594.db2.gz NVSPEQATKOPFOI-YOEHRIQHSA-N 1 0 403.445 2.539 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000747379317 1080385245 /nfs/dbraw/zinc/38/52/45/1080385245.db2.gz DLDFHIIMPZOBPE-UHFFFAOYSA-N 1 0 411.550 2.504 20 0 HFADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@H](c4ccccn4)C3)CC2)C1 ZINC001170519717 1080403521 /nfs/dbraw/zinc/40/35/21/1080403521.db2.gz RCEWYVQLASRNEB-CTNGQTDRSA-N 1 0 412.578 2.758 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000747377391 1080403873 /nfs/dbraw/zinc/40/38/73/1080403873.db2.gz XNKKIRRWHWNBJK-SQNIBIBYSA-N 1 0 409.571 2.782 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCCC[C@@H]3C3OCCO3)cc2)CC1 ZINC000807254216 1080411542 /nfs/dbraw/zinc/41/15/42/1080411542.db2.gz WIPCSCQNIHDBJO-HXUWFJFHSA-N 1 0 403.523 2.597 20 0 HFADRO COCC1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268450 1080422658 /nfs/dbraw/zinc/42/26/58/1080422658.db2.gz PBGLNYTUDSPQOR-SFHVURJKSA-N 1 0 424.586 2.530 20 0 HFADRO CCOC(=O)C1=C(Nc2nc(C)cc(C)c2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001170520975 1080439173 /nfs/dbraw/zinc/43/91/73/1080439173.db2.gz DEIQBPKOZLFNCN-UHFFFAOYSA-N 1 0 408.502 2.932 20 0 HFADRO CCOC(=O)C1=C(Nc2c(OC)cc(C(=O)OC(C)(C)C)cc2OC)CC[NH2+]C1 ZINC001170521220 1080443630 /nfs/dbraw/zinc/44/36/30/1080443630.db2.gz PIQKDCIFHIBFSH-UHFFFAOYSA-N 1 0 406.479 2.882 20 0 HFADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000805279988 1080447710 /nfs/dbraw/zinc/44/77/10/1080447710.db2.gz VMPPRLTYSHKONP-UHFFFAOYSA-N 1 0 415.582 2.924 20 0 HFADRO O=C(c1ccc2ncc(I)n2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000749341638 1080495502 /nfs/dbraw/zinc/49/55/02/1080495502.db2.gz INEUNNSVRZPNCE-UHFFFAOYSA-N 1 0 424.286 2.639 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1)c1ccco1 ZINC000807310689 1080504824 /nfs/dbraw/zinc/50/48/24/1080504824.db2.gz QBBHERSQDORRRL-LRDDRELGSA-N 1 0 421.881 2.904 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccnc1Br)c1ccco1 ZINC000807310515 1080504883 /nfs/dbraw/zinc/50/48/83/1080504883.db2.gz LHBFLQBCFULSMD-DGCLKSJQSA-N 1 0 409.284 2.621 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C)nc1Br)c1ccco1 ZINC000807312807 1080506179 /nfs/dbraw/zinc/50/61/79/1080506179.db2.gz TUSFZLMBPDJMND-FZMZJTMJSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)c1ccco1 ZINC000807313376 1080507166 /nfs/dbraw/zinc/50/71/66/1080507166.db2.gz ZHHLSDUUVZZJLQ-ZBFHGGJFSA-N 1 0 413.453 2.789 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(NC(=O)OCC)cc1 ZINC000807358342 1080519618 /nfs/dbraw/zinc/51/96/18/1080519618.db2.gz UXGBXGMXVQLPDL-UHFFFAOYSA-N 1 0 404.511 2.918 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000807334399 1080534855 /nfs/dbraw/zinc/53/48/55/1080534855.db2.gz NYMDJTDFRZOBDA-UHFFFAOYSA-N 1 0 420.517 2.693 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CSC[C@@H]3C)cc2Cl)CC1 ZINC000807349911 1080556289 /nfs/dbraw/zinc/55/62/89/1080556289.db2.gz NYVGOVRYVKEESE-YOEHRIQHSA-N 1 0 424.998 2.678 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000807352999 1080559212 /nfs/dbraw/zinc/55/92/12/1080559212.db2.gz CHTKQCZLEWFLFZ-DOTOQJQBSA-N 1 0 404.942 2.964 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000807431607 1080591321 /nfs/dbraw/zinc/59/13/21/1080591321.db2.gz AGSDODXLDLWKNB-QVKFZJNVSA-N 1 0 405.926 2.935 20 0 HFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccccc3CSC3=NCCS3)CC2)C1 ZINC000747397520 1080602552 /nfs/dbraw/zinc/60/25/52/1080602552.db2.gz PXLLJLPOVNQKHU-GOSISDBHSA-N 1 0 418.632 2.875 20 0 HFADRO C[C@@H]1CC[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000807410131 1080604724 /nfs/dbraw/zinc/60/47/24/1080604724.db2.gz UUSQQBZPEJHOMR-APWZRJJASA-N 1 0 400.523 2.744 20 0 HFADRO C[C@@H]1CCN(C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000807496495 1080692666 /nfs/dbraw/zinc/69/26/66/1080692666.db2.gz KTLVFBUWEFVYIF-NLFFAJNJSA-N 1 0 423.557 2.523 20 0 HFADRO CN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000807498871 1080696165 /nfs/dbraw/zinc/69/61/65/1080696165.db2.gz ZAXLGRLBEIIIJT-RDGATRHJSA-N 1 0 423.557 2.523 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000807499552 1080698508 /nfs/dbraw/zinc/69/85/08/1080698508.db2.gz PDKYELSSRWGIKA-XMMPIXPASA-N 1 0 415.578 2.515 20 0 HFADRO COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1F ZINC000807510338 1080713972 /nfs/dbraw/zinc/71/39/72/1080713972.db2.gz UVQMEOQXSMAQHA-GOSISDBHSA-N 1 0 417.481 2.979 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000807510586 1080718697 /nfs/dbraw/zinc/71/86/97/1080718697.db2.gz ZZWBXRNJDQQNMV-NRFANRHFSA-N 1 0 412.534 2.897 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccc(Cl)c(Cl)c1 ZINC001170526712 1080743879 /nfs/dbraw/zinc/74/38/79/1080743879.db2.gz SBNNJMAMCMUDMG-OAHLLOKOSA-N 1 0 409.273 2.752 20 0 HFADRO CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000807530884 1080743916 /nfs/dbraw/zinc/74/39/16/1080743916.db2.gz YJPTWWLDVRBJGD-UHFFFAOYSA-N 1 0 418.282 2.710 20 0 HFADRO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)cc2C1 ZINC000807543633 1080760381 /nfs/dbraw/zinc/76/03/81/1080760381.db2.gz JWYCSGXZPOGWTB-KNXBSLHKSA-N 1 0 407.514 2.518 20 0 HFADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccnc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000807544736 1080761726 /nfs/dbraw/zinc/76/17/26/1080761726.db2.gz ZSNXODSCCHEPAL-HIFRSBDPSA-N 1 0 417.307 2.562 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807549581 1080766083 /nfs/dbraw/zinc/76/60/83/1080766083.db2.gz DORDLHSYOOXYPG-PGRDOPGGSA-N 1 0 424.586 2.530 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000807550828 1080767270 /nfs/dbraw/zinc/76/72/70/1080767270.db2.gz KPVPJKCHIRIEBC-PGRDOPGGSA-N 1 0 424.586 2.672 20 0 HFADRO CCCC[NH+]1CCC(NC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000747403901 1080768450 /nfs/dbraw/zinc/76/84/50/1080768450.db2.gz QLVBBLOLIISRSA-UHFFFAOYSA-N 1 0 402.539 2.915 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCCC3(F)F)cc2)CC1 ZINC000807521387 1080773393 /nfs/dbraw/zinc/77/33/93/1080773393.db2.gz FDDCPPSDGDURQZ-GOSISDBHSA-N 1 0 408.493 2.707 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807582541 1080793538 /nfs/dbraw/zinc/79/35/38/1080793538.db2.gz PEFRXTNLRQBMCW-MAUKXSAKSA-N 1 0 420.966 2.954 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000807555879 1080806874 /nfs/dbraw/zinc/80/68/74/1080806874.db2.gz IGPJJCBNSWKFGZ-IRXDYDNUSA-N 1 0 406.958 2.773 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000807557683 1080810505 /nfs/dbraw/zinc/81/05/05/1080810505.db2.gz GPJGNUGEXMPQED-KRWDZBQOSA-N 1 0 414.937 2.783 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807560593 1080817339 /nfs/dbraw/zinc/81/73/39/1080817339.db2.gz SVQWCHNXCRIVGQ-SFHVURJKSA-N 1 0 414.937 2.640 20 0 HFADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ncc(I)s1 ZINC000512007220 1126095524 /nfs/dbraw/zinc/09/55/24/1126095524.db2.gz MROVDKOWYCMIRI-LLVKDONJSA-N 1 0 413.284 2.922 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(OC)c3c(c2)OCCO3)cc1OC ZINC001203581574 1126159029 /nfs/dbraw/zinc/15/90/29/1126159029.db2.gz PKXBSACYUCVMTC-JOCHJYFZSA-N 1 0 403.475 2.567 20 0 HFADRO COC(=O)c1cccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001460421574 1126191198 /nfs/dbraw/zinc/19/11/98/1126191198.db2.gz FAYLLJYRSACSRO-LJQANCHMSA-N 1 0 405.292 2.640 20 0 HFADRO CCOC(=O)Cn1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)c(-c2cccnc2)n1 ZINC001462105305 1126197310 /nfs/dbraw/zinc/19/73/10/1126197310.db2.gz QFIQFWMKGOMFIJ-OAQYLSRUSA-N 1 0 408.502 2.510 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c(C)nn(CC(=O)OC(C)C)c2C)cc1 ZINC001462564999 1126197898 /nfs/dbraw/zinc/19/78/98/1126197898.db2.gz MFLISDLZEWSHOY-QFIPXVFZSA-N 1 0 403.523 2.543 20 0 HFADRO COC(=O)C1(c2ccc(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)cc2)CC1 ZINC001473840347 1126200792 /nfs/dbraw/zinc/20/07/92/1126200792.db2.gz VYSOZIOTPZZYCC-QHCPKHFHSA-N 1 0 413.514 2.992 20 0 HFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1Cl ZINC001560330376 1126210098 /nfs/dbraw/zinc/21/00/98/1126210098.db2.gz MDXHRLSSBXPPPN-ZBFHGGJFSA-N 1 0 422.856 2.612 20 0 HFADRO COC1(c2nc(C3CCOCC3)no2)CC[NH+](C[C@@H](O)c2ccccc2C)CC1 ZINC000583615875 560776327 /nfs/dbraw/zinc/77/63/27/560776327.db2.gz IGMWXGIUQQOUQW-LJQANCHMSA-N 1 0 401.507 2.943 20 0 HFADRO NC(=O)c1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1Cl ZINC001164387910 718813924 /nfs/dbraw/zinc/81/39/24/718813924.db2.gz JOSAVDJTXXNSQD-ZDUSSCGKSA-N 1 0 412.790 2.890 20 0 HFADRO FC(F)(c1ccc2c(Cl)ncnc2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416561 718884847 /nfs/dbraw/zinc/88/48/47/718884847.db2.gz ZLOMRIMNNPOEEN-UHFFFAOYSA-N 1 0 405.840 2.519 20 0 HFADRO FC(F)(c1ccc2ncc(Cl)nc2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415839 718884914 /nfs/dbraw/zinc/88/49/14/718884914.db2.gz NMAFMUYDXLATJX-UHFFFAOYSA-N 1 0 405.840 2.519 20 0 HFADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)nc12 ZINC001164422225 718913818 /nfs/dbraw/zinc/91/38/18/718913818.db2.gz XOIQRSMYBQZZIO-QGZVFWFLSA-N 1 0 416.831 2.553 20 0 HFADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425529 718918583 /nfs/dbraw/zinc/91/85/83/718918583.db2.gz SUWFUTUJWIRUNR-CQSZACIVSA-N 1 0 415.790 2.884 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164617230 719006635 /nfs/dbraw/zinc/00/66/35/719006635.db2.gz NFNFYPIUUZSUDB-UGSOOPFHSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4cnccc43)CC2)CC1 ZINC001164614633 719024336 /nfs/dbraw/zinc/02/43/36/719024336.db2.gz VURDFTCMCUYBRX-UHFFFAOYSA-N 1 0 403.914 2.922 20 0 HFADRO CCOC(=O)/C=C/c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164616976 719029552 /nfs/dbraw/zinc/02/95/52/719029552.db2.gz GQMKCAVMVQRMKR-SOFGYWHQSA-N 1 0 415.534 2.902 20 0 HFADRO CCOCc1cnc(Cl)nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164618394 719031039 /nfs/dbraw/zinc/03/10/39/719031039.db2.gz VXYLIOQGGSBRKX-UHFFFAOYSA-N 1 0 410.946 2.910 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN([C@@H](F)Oc3cncc(Cl)n3)CC2)CC1 ZINC001164617636 719034612 /nfs/dbraw/zinc/03/46/12/719034612.db2.gz OKKKTGUDLATRAD-GOSISDBHSA-N 1 0 400.882 2.501 20 0 HFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164622356 719047499 /nfs/dbraw/zinc/04/74/99/719047499.db2.gz KPVCOSMUJPBBCM-KXBFYZLASA-N 1 0 406.864 2.962 20 0 HFADRO O=C(c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1)N1CCOCC1 ZINC001164619609 719057356 /nfs/dbraw/zinc/05/73/56/719057356.db2.gz CXHYGIYDMLDUFI-VXKWHMMOSA-N 1 0 406.530 2.655 20 0 HFADRO CCOC(=O)c1nnc(SC)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621000 719068823 /nfs/dbraw/zinc/06/88/23/719068823.db2.gz FYGPYYRJISNVMG-SJORKVTESA-N 1 0 413.547 2.871 20 0 HFADRO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624288 719070961 /nfs/dbraw/zinc/07/09/61/719070961.db2.gz KVUHNVYEPOCLHI-FUHWJXTLSA-N 1 0 400.910 2.946 20 0 HFADRO O=C1CCC(=O)N1Cc1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164628065 719088241 /nfs/dbraw/zinc/08/82/41/719088241.db2.gz LXSFOKQQBXDTOT-NHCUHLMSSA-N 1 0 404.514 2.831 20 0 HFADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)C[C@H]2CF)CC1 ZINC001164630471 719118135 /nfs/dbraw/zinc/11/81/35/719118135.db2.gz WRMASSLLRWSFOH-YPMHNXCESA-N 1 0 418.847 2.755 20 0 HFADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC001164671340 719378743 /nfs/dbraw/zinc/37/87/43/719378743.db2.gz WXMMVZQYHSTSMQ-SIKLNZKXSA-N 1 0 406.486 2.737 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000301667337 719467244 /nfs/dbraw/zinc/46/72/44/719467244.db2.gz OXUHVJUVNVLSKE-QZTJIDSGSA-N 1 0 409.559 2.939 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164678101 719554974 /nfs/dbraw/zinc/55/49/74/719554974.db2.gz VNZRXOFPGVGDHF-VQTJNVASSA-N 1 0 416.566 2.519 20 0 HFADRO COc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681664 719657775 /nfs/dbraw/zinc/65/77/75/719657775.db2.gz PQRODBOEHRCEHZ-GOSISDBHSA-N 1 0 423.561 2.579 20 0 HFADRO CC(C)N(C)C(=O)c1noc2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164696523 719787661 /nfs/dbraw/zinc/78/76/61/719787661.db2.gz UTZDWJXDBUPYGU-UHFFFAOYSA-N 1 0 413.522 2.587 20 0 HFADRO COCCOc1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nn1 ZINC001164692075 719813800 /nfs/dbraw/zinc/81/38/00/719813800.db2.gz LHCAWSLILWAFBC-UHFFFAOYSA-N 1 0 403.552 2.902 20 0 HFADRO CCOC(=O)c1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2c1 ZINC001164815398 720116395 /nfs/dbraw/zinc/11/63/95/720116395.db2.gz VENAHILOLFWRBF-DVECYGJZSA-N 1 0 424.545 2.991 20 0 HFADRO CCOC(=O)c1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2c1 ZINC001164815400 720116421 /nfs/dbraw/zinc/11/64/21/720116421.db2.gz VENAHILOLFWRBF-YADARESESA-N 1 0 424.545 2.991 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)C2 ZINC001164816502 720121727 /nfs/dbraw/zinc/12/17/27/720121727.db2.gz ZKCLMNSIXAOWGV-LAUBAEHRSA-N 1 0 422.957 2.553 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(OC)nc(-c3ccccc3)n1)C2 ZINC001164809627 720133779 /nfs/dbraw/zinc/13/37/79/720133779.db2.gz HSVDSCKWAGUUEG-CVDCTZTESA-N 1 0 409.534 2.732 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c[n+]1[O-])CC2 ZINC001164713576 720136377 /nfs/dbraw/zinc/13/63/77/720136377.db2.gz SEWXFCKCBPHQSY-LJQANCHMSA-N 1 0 402.926 2.876 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(SCC(=O)OC)n1)C2 ZINC001164816058 720152006 /nfs/dbraw/zinc/15/20/06/720152006.db2.gz KBHKOYROFDOTJZ-UTKZUKDTSA-N 1 0 405.564 2.531 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164819016 720169374 /nfs/dbraw/zinc/16/93/74/720169374.db2.gz VFLCXTVLVARAOL-YJBOKZPZSA-N 1 0 416.900 2.782 20 0 HFADRO COc1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)ccc2c1 ZINC001164718356 720175915 /nfs/dbraw/zinc/17/59/15/720175915.db2.gz PBKOJJSUTZZATO-OAQYLSRUSA-N 1 0 422.533 2.588 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164811410 720200743 /nfs/dbraw/zinc/20/07/43/720200743.db2.gz HEEVJYMACMBBRA-KDOFPFPSSA-N 1 0 416.900 2.868 20 0 HFADRO CCSc1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164713896 720203052 /nfs/dbraw/zinc/20/30/52/720203052.db2.gz FGZJZXSGYQMWAZ-GOSISDBHSA-N 1 0 402.568 2.538 20 0 HFADRO Cn1nnc2c1CCN(C(C)(C)c1ccnc(Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718913 720207325 /nfs/dbraw/zinc/20/73/25/720207325.db2.gz OWEDYPJWAVEJFN-SFHVURJKSA-N 1 0 418.973 2.810 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nn2)CC1 ZINC001164821033 720302901 /nfs/dbraw/zinc/30/29/01/720302901.db2.gz JFZMHFQSMUTSSU-GJZGRUSLSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2CCCC3)CC1 ZINC001164826069 720303476 /nfs/dbraw/zinc/30/34/76/720303476.db2.gz VEIOCJZSKGXDKA-RBUKOAKNSA-N 1 0 417.985 2.920 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnnc(Cl)c2)CC1 ZINC001164833426 720319011 /nfs/dbraw/zinc/31/90/11/720319011.db2.gz XCFJHJMQWDQVFW-JKSUJKDBSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3nc[nH]c3cc2Cl)CC1 ZINC001164831446 720325214 /nfs/dbraw/zinc/32/52/14/720325214.db2.gz SAYMLFUOSXRJTN-SJORKVTESA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(Cl)c3ccoc32)CC1 ZINC001164833030 720328043 /nfs/dbraw/zinc/32/80/43/720328043.db2.gz VWOLVOTXUYRWBB-HOTGVXAUSA-N 1 0 403.914 2.788 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cl)c3ccoc32)CC1 ZINC001164833029 720328084 /nfs/dbraw/zinc/32/80/84/720328084.db2.gz VWOLVOTXUYRWBB-CVEARBPZSA-N 1 0 403.914 2.788 20 0 HFADRO COc1cc(C)c2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828350 720356650 /nfs/dbraw/zinc/35/66/50/720356650.db2.gz OITQCOHLSVQCLJ-RTWAWAEBSA-N 1 0 423.561 2.858 20 0 HFADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724241 720401789 /nfs/dbraw/zinc/40/17/89/720401789.db2.gz IMZYFTOZZZDQJU-WOJBJXKFSA-N 1 0 401.518 2.853 20 0 HFADRO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC(C)C ZINC001164839376 720504842 /nfs/dbraw/zinc/50/48/42/720504842.db2.gz SZYXKJQZMVOUEJ-GUDVDZBRSA-N 1 0 413.570 2.880 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)C1 ZINC001164733564 720521731 /nfs/dbraw/zinc/52/17/31/720521731.db2.gz KXFAQTLXGVLPKT-GFCCVEGCSA-N 1 0 407.856 2.618 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834195 720550621 /nfs/dbraw/zinc/55/06/21/720550621.db2.gz CONKQMWFIJJUJO-YZVOILCLSA-N 1 0 414.941 2.804 20 0 HFADRO CCOC(=O)c1ncnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164835825 720556025 /nfs/dbraw/zinc/55/60/25/720556025.db2.gz IALSGIUGFUQGKX-GUDVDZBRSA-N 1 0 412.538 2.536 20 0 HFADRO C[C@H]1CCCN(C(=O)c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2)C1 ZINC001164736954 720581603 /nfs/dbraw/zinc/58/16/03/720581603.db2.gz WQTPMKZUPODLGY-IBGZPJMESA-N 1 0 422.577 2.809 20 0 HFADRO COc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841635 720586307 /nfs/dbraw/zinc/58/63/07/720586307.db2.gz TZTGJRQRSIKDBY-MBOZVWFJSA-N 1 0 407.522 2.608 20 0 HFADRO Clc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164740195 720634994 /nfs/dbraw/zinc/63/49/94/720634994.db2.gz HQGDOPTVWMOYAA-ZWKOTPCHSA-N 1 0 408.893 2.929 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(n1)OCC(=O)N3)CC2 ZINC001164843379 720690396 /nfs/dbraw/zinc/69/03/96/720690396.db2.gz OXTBCXSPEDLYCC-SFHVURJKSA-N 1 0 408.502 2.672 20 0 HFADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)C1 ZINC001164738523 720691306 /nfs/dbraw/zinc/69/13/06/720691306.db2.gz KJAOLLURKSPJHH-OWCLPIDISA-N 1 0 422.558 2.948 20 0 HFADRO Clc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164741496 720698899 /nfs/dbraw/zinc/69/88/99/720698899.db2.gz TZHGERYYYDETRI-SJORKVTESA-N 1 0 408.893 2.929 20 0 HFADRO c1cn(C2CCCC2)c2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164737801 720709808 /nfs/dbraw/zinc/70/98/08/720709808.db2.gz GYFPNEIXKFYXQV-ROUUACIJSA-N 1 0 405.506 2.678 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164838705 720730024 /nfs/dbraw/zinc/73/00/24/720730024.db2.gz YASHSRWXIWTPHP-LJQANCHMSA-N 1 0 421.545 2.713 20 0 HFADRO FC(F)(COc1cncc(Cl)n1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164843417 720739707 /nfs/dbraw/zinc/73/97/07/720739707.db2.gz JKSDBWSRHUIWBW-UHFFFAOYSA-N 1 0 412.872 2.846 20 0 HFADRO Fc1cccc(Oc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164743392 720743337 /nfs/dbraw/zinc/74/33/37/720743337.db2.gz PUVJDUXGSVDJIL-FUHWJXTLSA-N 1 0 408.437 2.540 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746961 720751183 /nfs/dbraw/zinc/75/11/83/720751183.db2.gz ZKGSCFLIRWKEEU-DLBZAZTESA-N 1 0 412.494 2.561 20 0 HFADRO Fc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164748305 720793219 /nfs/dbraw/zinc/79/32/19/720793219.db2.gz QNPKPPMBMQQWAK-ZIAGYGMSSA-N 1 0 400.845 2.554 20 0 HFADRO Cc1cc(-c2ccccc2F)nnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752651 720801865 /nfs/dbraw/zinc/80/18/65/720801865.db2.gz ZNURLOZYLNDMLB-DLBZAZTESA-N 1 0 406.465 2.723 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749797 720808674 /nfs/dbraw/zinc/80/86/74/720808674.db2.gz UOGNWOKMOPAPEB-QKNQBKEWSA-N 1 0 424.549 2.538 20 0 HFADRO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747483 720813899 /nfs/dbraw/zinc/81/38/99/720813899.db2.gz OEJLITSLFIQWSE-ARFHVFGLSA-N 1 0 423.899 2.646 20 0 HFADRO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748768 720814618 /nfs/dbraw/zinc/81/46/18/720814618.db2.gz RIZNHILDEWYTSF-XYJFISCASA-N 1 0 401.946 2.663 20 0 HFADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCC2 ZINC001164740767 720815127 /nfs/dbraw/zinc/81/51/27/720815127.db2.gz AJANACRMBIHCEP-TXPKVOOTSA-N 1 0 413.957 2.590 20 0 HFADRO COc1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748338 720815231 /nfs/dbraw/zinc/81/52/31/720815231.db2.gz QTDMQZUQPYXKSQ-RYQLBKOJSA-N 1 0 402.930 2.715 20 0 HFADRO Clc1nc2ncccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164738004 720816234 /nfs/dbraw/zinc/81/62/34/720816234.db2.gz DHYDRHWPOWUTLL-SOLBZPMBSA-N 1 0 424.940 2.649 20 0 HFADRO Clc1nc2cccnc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744011 720818535 /nfs/dbraw/zinc/81/85/35/720818535.db2.gz TYFWMUVZYXNPOY-JFIYKMOQSA-N 1 0 424.940 2.649 20 0 HFADRO Clc1nc2cccnc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744016 720818541 /nfs/dbraw/zinc/81/85/41/720818541.db2.gz TYFWMUVZYXNPOY-SOLBZPMBSA-N 1 0 424.940 2.649 20 0 HFADRO c1coc(-c2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cn2)c1 ZINC001164745565 720824368 /nfs/dbraw/zinc/82/43/68/720824368.db2.gz WTZCKCQNAOOEDA-WSTZPKSXSA-N 1 0 405.506 2.708 20 0 HFADRO Cc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164738445 720831252 /nfs/dbraw/zinc/83/12/52/720831252.db2.gz FUESXBRMGZCFMM-SVFBPWRDSA-N 1 0 403.534 2.909 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164742085 720831633 /nfs/dbraw/zinc/83/16/33/720831633.db2.gz PRVRBNSQPJTESM-XQBPLPMBSA-N 1 0 419.533 2.609 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@H]2C1 ZINC001164855897 720834848 /nfs/dbraw/zinc/83/48/48/720834848.db2.gz VKCHKIOOPGFWRD-NWDGAFQWSA-N 1 0 411.280 2.502 20 0 HFADRO Clc1cc2[nH]cnc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746544 720835368 /nfs/dbraw/zinc/83/53/68/720835368.db2.gz OJEDVHSRWNXXJP-RLFYNMQTSA-N 1 0 412.929 2.582 20 0 HFADRO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742531 720843299 /nfs/dbraw/zinc/84/32/99/720843299.db2.gz HGRNZJAHJOVEEG-QKNQBKEWSA-N 1 0 420.565 2.983 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164748810 720852661 /nfs/dbraw/zinc/85/26/61/720852661.db2.gz MDZRHMUADWFLFB-IPMKNSEASA-N 1 0 413.595 2.948 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@@H]2C1 ZINC001164852641 720856674 /nfs/dbraw/zinc/85/66/74/720856674.db2.gz FCBWIGUMDIURIN-IEBWSBKVSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@H]2C1 ZINC001164852011 720857473 /nfs/dbraw/zinc/85/74/73/720857473.db2.gz BOURMVXOALZPMU-FPOVZHCZSA-N 1 0 410.518 2.507 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164851550 720866446 /nfs/dbraw/zinc/86/64/46/720866446.db2.gz AVXPYKVBEINSJQ-APWZRJJASA-N 1 0 402.470 2.582 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4C(C)C)CC[C@H]2C1 ZINC001164856040 720871400 /nfs/dbraw/zinc/87/14/00/720871400.db2.gz NXRHLGRVVKKTCL-RDJZCZTQSA-N 1 0 407.946 2.839 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC[C@H]2C1 ZINC001164864466 720871989 /nfs/dbraw/zinc/87/19/89/720871989.db2.gz VWXYKBZZOMWXRD-FUHWJXTLSA-N 1 0 406.527 2.602 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@@H]2C1 ZINC001164861266 720873921 /nfs/dbraw/zinc/87/39/21/720873921.db2.gz PLCXCEILPIRTDY-KNQAVFIVSA-N 1 0 419.529 2.865 20 0 HFADRO CCc1nc2sc3c(c2c(N2CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C2)n1)CCC3 ZINC001164855606 720873945 /nfs/dbraw/zinc/87/39/45/720873945.db2.gz HMJAKXJAWPRCNH-DOTOQJQBSA-N 1 0 416.591 2.916 20 0 HFADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C2)n1)CCC3 ZINC001164855615 720873962 /nfs/dbraw/zinc/87/39/62/720873962.db2.gz HMJAKXJAWPRCNH-WBVHZDCISA-N 1 0 416.591 2.916 20 0 HFADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)nn2)cc1 ZINC001164862100 720881811 /nfs/dbraw/zinc/88/18/11/720881811.db2.gz QPDNZBMFMYJDSY-DENIHFKCSA-N 1 0 412.534 2.716 20 0 HFADRO CCOc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)nn2)cc1 ZINC001164862104 720881814 /nfs/dbraw/zinc/88/18/14/720881814.db2.gz QPDNZBMFMYJDSY-UGKGYDQZSA-N 1 0 412.534 2.716 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccccc4F)cc3C)CC[C@H]2C1 ZINC001164853869 720887304 /nfs/dbraw/zinc/88/73/04/720887304.db2.gz DHDMFMBQLGEUOM-UWJYYQICSA-N 1 0 400.498 2.765 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2CO[C@H](CNC(=O)c3ccno3)[C@@H]2C1 ZINC001164859129 720914683 /nfs/dbraw/zinc/91/46/83/720914683.db2.gz OZAVSSRIDUXKDV-FRFSOERESA-N 1 0 404.898 2.725 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(Cn3ccccc3=O)cn1)[C@H]2C ZINC001164861920 721007141 /nfs/dbraw/zinc/00/71/41/721007141.db2.gz RBFYXCUESQTYOQ-SFHVURJKSA-N 1 0 406.534 2.910 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870438 721042424 /nfs/dbraw/zinc/04/24/24/721042424.db2.gz VWHWPGPHYOVDGM-QZTJIDSGSA-N 1 0 416.909 2.786 20 0 HFADRO CCOC(=O)/C=C/c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870632 721050869 /nfs/dbraw/zinc/05/08/69/721050869.db2.gz WLGGOHQGVJOOJY-JLXVBKPDSA-N 1 0 408.502 2.533 20 0 HFADRO COc1cc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1OC ZINC001164867372 721082029 /nfs/dbraw/zinc/08/20/29/721082029.db2.gz YEXIVFMABDLYHR-QZTJIDSGSA-N 1 0 421.501 2.522 20 0 HFADRO CCOc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865435 721095702 /nfs/dbraw/zinc/09/57/02/721095702.db2.gz LHUXLQRJCJMPRD-ICSRJNTNSA-N 1 0 405.502 2.903 20 0 HFADRO CCOc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865437 721096470 /nfs/dbraw/zinc/09/64/70/721096470.db2.gz LHUXLQRJCJMPRD-UYAOXDASSA-N 1 0 405.502 2.903 20 0 HFADRO c1ccc(COc2cnnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164864836 721102623 /nfs/dbraw/zinc/10/26/23/721102623.db2.gz GSBWWHNFGNWDEB-GGAORHGYSA-N 1 0 417.513 2.930 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4COC5(C)C)C[C@H]3C2)cn1 ZINC001164768373 721103462 /nfs/dbraw/zinc/10/34/62/721103462.db2.gz NAPUBYFOEYHQNP-HUUCEWRRSA-N 1 0 402.930 2.587 20 0 HFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(C)c2c1 ZINC001164864677 721103657 /nfs/dbraw/zinc/10/36/57/721103657.db2.gz GNUDMWMKGFOJHW-UYAOXDASSA-N 1 0 405.502 2.822 20 0 HFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769945 721106521 /nfs/dbraw/zinc/10/65/21/721106521.db2.gz QMJPJSQVVIODQU-IAGOWNOFSA-N 1 0 417.941 2.912 20 0 HFADRO CCOC(=O)c1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870218 721125093 /nfs/dbraw/zinc/12/50/93/721125093.db2.gz BWSFDLVCEOQZGF-DLBZAZTESA-N 1 0 416.909 2.786 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nccc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164767330 721129466 /nfs/dbraw/zinc/12/94/66/721129466.db2.gz MUGBWITZOWFZDB-RTWAWAEBSA-N 1 0 404.518 2.747 20 0 HFADRO Nc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164879027 721131753 /nfs/dbraw/zinc/13/17/53/721131753.db2.gz RLCSTXVSHVRIAY-JKSUJKDBSA-N 1 0 409.868 2.737 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164875347 721136605 /nfs/dbraw/zinc/13/66/05/721136605.db2.gz KXVIUAPSMBCDNY-LEWJYISDSA-N 1 0 402.502 2.722 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164879819 721137649 /nfs/dbraw/zinc/13/76/49/721137649.db2.gz UHOBTLXOCTTXPL-UXHICEINSA-N 1 0 402.502 2.722 20 0 HFADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164880285 721150467 /nfs/dbraw/zinc/15/04/67/721150467.db2.gz VSDTVZOGXWQUOF-HOTGVXAUSA-N 1 0 409.868 2.858 20 0 HFADRO c1ccc(Cc2nccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164880337 721160332 /nfs/dbraw/zinc/16/03/32/721160332.db2.gz VYUPBXJVGLFCPN-YADHBBJMSA-N 1 0 401.514 2.942 20 0 HFADRO CC1CCN(C(=O)c2cccnc2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001164762015 721196711 /nfs/dbraw/zinc/19/67/11/721196711.db2.gz BWGUPPDVXOLJRH-NHCUHLMSSA-N 1 0 422.577 2.646 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164766906 721221970 /nfs/dbraw/zinc/22/19/70/721221970.db2.gz JOMPDWPEWUYJMY-PMACEKPBSA-N 1 0 415.545 2.719 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164766908 721223260 /nfs/dbraw/zinc/22/32/60/721223260.db2.gz JOMPDWPEWUYJMY-UXHICEINSA-N 1 0 415.545 2.719 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164770641 721279321 /nfs/dbraw/zinc/27/93/21/721279321.db2.gz VOKCTGCFMHWMOH-UHFFFAOYSA-N 1 0 400.857 2.774 20 0 HFADRO CC[C@H]1C(=O)Nc2cnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc2N1C1CCCC1 ZINC001164774003 721287989 /nfs/dbraw/zinc/28/79/89/721287989.db2.gz VMAGKKKNZZDUDR-IBGZPJMESA-N 1 0 410.566 2.878 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ccc(C)nn4)[C@H]3C2)nc1 ZINC001164775698 721313799 /nfs/dbraw/zinc/31/37/99/721313799.db2.gz ILJNWTQOCLTGQY-QHAWAJNXSA-N 1 0 408.550 2.821 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885694 721381904 /nfs/dbraw/zinc/38/19/04/721381904.db2.gz CZCXHNIVHHZKEX-XOBRGWDASA-N 1 0 422.936 2.516 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886338 721399595 /nfs/dbraw/zinc/39/95/95/721399595.db2.gz FGTQHXVPARTDOM-QRWLVFNGSA-N 1 0 424.014 2.642 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164892526 721400559 /nfs/dbraw/zinc/40/05/59/721400559.db2.gz YQAKAAYKEZJCJI-KKSFZXQISA-N 1 0 418.973 2.685 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc5c6c([nH]c54)CCC6)C3)O2)CC1 ZINC001164887834 721447140 /nfs/dbraw/zinc/44/71/40/721447140.db2.gz KJPTXFSDIDOXTN-KOSHJBKYSA-N 1 0 409.578 2.817 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(C5CC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164886019 721447831 /nfs/dbraw/zinc/44/78/31/721447831.db2.gz GCSQNLUIGPFBLQ-JPYJTQIMSA-N 1 0 410.566 2.601 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc(OC)n1)CC2 ZINC001164790573 721450773 /nfs/dbraw/zinc/45/07/73/721450773.db2.gz ZPJUMEPSNPZHEI-KRWDZBQOSA-N 1 0 424.973 2.873 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(SC)ncn1)CC2 ZINC001164790423 721453343 /nfs/dbraw/zinc/45/33/43/721453343.db2.gz YZHGZULBDFCRGE-GOSISDBHSA-N 1 0 406.596 2.932 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(COC)nc(C)n1)CC2 ZINC001164783696 721457691 /nfs/dbraw/zinc/45/76/91/721457691.db2.gz FNIYVJGNMHAGKP-NRFANRHFSA-N 1 0 418.582 2.665 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(OC(C)C)n1)CC2 ZINC001164791330 721468048 /nfs/dbraw/zinc/46/80/48/721468048.db2.gz XCIOLSFBAZKGSU-FQEVSTJZSA-N 1 0 418.582 2.998 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)ncc1Cl)CC2 ZINC001164789478 721470907 /nfs/dbraw/zinc/47/09/07/721470907.db2.gz NFPYYCUVCANGIH-KRWDZBQOSA-N 1 0 424.973 2.873 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164795062 721499847 /nfs/dbraw/zinc/49/98/47/721499847.db2.gz CDTLXFMTNTUCGA-UHFFFAOYSA-N 1 0 403.534 2.997 20 0 HFADRO Cc1cccc2c1nc(Cl)nc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794222 721511780 /nfs/dbraw/zinc/51/17/80/721511780.db2.gz LIJBHYDEBSYSEG-UHFFFAOYSA-N 1 0 411.941 2.556 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(F)cc4ccc(Cl)nc42)CC3)CC1 ZINC001164794159 721514060 /nfs/dbraw/zinc/51/40/60/721514060.db2.gz IEFZANVQFCGRTK-UHFFFAOYSA-N 1 0 414.916 2.991 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cccc(OCc4ccccc4)n2)CC3)CC1 ZINC001164799044 721517689 /nfs/dbraw/zinc/51/76/89/721517689.db2.gz VYWWFQWVJZQHGY-UHFFFAOYSA-N 1 0 418.545 2.625 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc4cc(F)c(Cl)cc42)CC3)CC1 ZINC001164796106 721521417 /nfs/dbraw/zinc/52/14/17/721521417.db2.gz VLRHFWQHWZIUKB-UHFFFAOYSA-N 1 0 414.916 2.991 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2c(Cl)nc(Cl)nc2C2CC2)CC3)CC1 ZINC001164794554 721521796 /nfs/dbraw/zinc/52/17/96/721521796.db2.gz FTUBNUYHPHNVBY-UHFFFAOYSA-N 1 0 422.364 2.625 20 0 HFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899707 721522069 /nfs/dbraw/zinc/52/20/69/721522069.db2.gz LULYQBWSCBERQA-HOCLYGCPSA-N 1 0 420.872 2.788 20 0 HFADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1Cl ZINC001164803830 721530730 /nfs/dbraw/zinc/53/07/30/721530730.db2.gz JJNITTYNCMEZCJ-HBFSDRIKSA-N 1 0 416.909 2.785 20 0 HFADRO O=c1cc2[nH]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)cc-2[nH]1 ZINC001164905191 721536812 /nfs/dbraw/zinc/53/68/12/721536812.db2.gz GJQWQAOVPVMOLS-ZFWWWQNUSA-N 1 0 402.857 2.711 20 0 HFADRO O=C(c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCC1 ZINC001164907334 721545556 /nfs/dbraw/zinc/54/55/56/721545556.db2.gz MYPFDAVEZILAHJ-FPOVZHCZSA-N 1 0 410.493 2.799 20 0 HFADRO NC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164904650 721557546 /nfs/dbraw/zinc/55/75/46/721557546.db2.gz FBIKUPNDWSYHSJ-HKUYNNGSSA-N 1 0 406.461 2.815 20 0 HFADRO CC1CCN(c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nn2)CC1 ZINC001164802567 721579859 /nfs/dbraw/zinc/57/98/59/721579859.db2.gz GKAPZHDVXMKIKT-DPLHUUCSSA-N 1 0 422.577 2.976 20 0 HFADRO CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164904263 721697321 /nfs/dbraw/zinc/69/73/21/721697321.db2.gz FANIROUXSXCVBG-FQEVSTJZSA-N 1 0 417.460 2.786 20 0 HFADRO CNC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907306 721715351 /nfs/dbraw/zinc/71/53/51/721715351.db2.gz QOJBWVKLKAEAAN-HXUWFJFHSA-N 1 0 401.461 2.574 20 0 HFADRO CCCN(CCC)c1cncc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165010500 721742021 /nfs/dbraw/zinc/74/20/21/721742021.db2.gz NCBJLACPARTMAL-UHFFFAOYSA-N 1 0 402.587 2.626 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc(Oc3cccc(F)c3)n2)CC1 ZINC001165010518 721743636 /nfs/dbraw/zinc/74/36/36/721743636.db2.gz NVAGQVCYIFFQTB-UHFFFAOYSA-N 1 0 413.497 2.931 20 0 HFADRO Cc1nc(-c2ccccn2)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1C ZINC001165012456 721747532 /nfs/dbraw/zinc/74/75/32/721747532.db2.gz IDRUMRMAVNCBKL-UHFFFAOYSA-N 1 0 408.550 2.678 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001165016494 721778640 /nfs/dbraw/zinc/77/86/40/721778640.db2.gz CYFUICSVEJFDGG-UTKZUKDTSA-N 1 0 407.942 2.700 20 0 HFADRO c1cnn(CCCO[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncccc2C[NH+]2CCCC2)c1 ZINC001165015842 721782594 /nfs/dbraw/zinc/78/25/94/721782594.db2.gz ACNLXVIORAALDR-FSSWDIPSSA-N 1 0 411.550 2.717 20 0 HFADRO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncccc2C[NH+]2CCCC2)c1 ZINC001165015843 721782839 /nfs/dbraw/zinc/78/28/39/721782839.db2.gz ACNLXVIORAALDR-VSKRKVRLSA-N 1 0 411.550 2.717 20 0 HFADRO CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)c3ncc(C)n3CCN4C)[nH+]cc21 ZINC001164918737 721818286 /nfs/dbraw/zinc/81/82/86/721818286.db2.gz SNAXPDUTXMHBEH-UHFFFAOYSA-N 1 0 408.506 2.686 20 0 HFADRO CON(C)C(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165023012 721827603 /nfs/dbraw/zinc/82/76/03/721827603.db2.gz HEUJRZVEIWOAIQ-SESVDKBCSA-N 1 0 409.534 2.847 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3NC(=O)CS4)C[C@H]21 ZINC001165023140 721831308 /nfs/dbraw/zinc/83/13/08/721831308.db2.gz HUEYGHXEVXYRLV-USXIJHARSA-N 1 0 410.547 2.653 20 0 HFADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[NH+](C4CCCC4)CC3)nc21 ZINC001165032618 721859160 /nfs/dbraw/zinc/85/91/60/721859160.db2.gz UPCOYGOJJUOGSX-UHFFFAOYSA-N 1 0 411.531 2.733 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922369 721875814 /nfs/dbraw/zinc/87/58/14/721875814.db2.gz GCWDNQWOPSQNMB-LEWJYISDSA-N 1 0 403.530 2.939 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933299 721883469 /nfs/dbraw/zinc/88/34/69/721883469.db2.gz LOFBZLMMYJUJAT-UXHICEINSA-N 1 0 409.534 2.520 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936347 721887966 /nfs/dbraw/zinc/88/79/66/721887966.db2.gz ZPSBKFLRULFQQI-MOPGFXCFSA-N 1 0 401.942 2.924 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164936684 721890981 /nfs/dbraw/zinc/89/09/81/721890981.db2.gz ZLUIYACQWCGQFT-VXGBXAGGSA-N 1 0 416.929 2.585 20 0 HFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165037413 721908090 /nfs/dbraw/zinc/90/80/90/721908090.db2.gz GODJIOYBGICPKS-CQSZACIVSA-N 1 0 404.898 2.761 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc5nc[nH]c5c(N(C)C)n4)CC3)C2)cc1 ZINC001164940639 721928137 /nfs/dbraw/zinc/92/81/37/721928137.db2.gz VFRBNFMCHCBIDE-UHFFFAOYSA-N 1 0 421.549 2.599 20 0 HFADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCC(C[NH+](C)C)CC3)nc2N1C1CCCC1 ZINC001165041506 721945599 /nfs/dbraw/zinc/94/55/99/721945599.db2.gz AMNAQRAMEJBCQH-SFHVURJKSA-N 1 0 400.571 2.759 20 0 HFADRO C[NH+](C)CC1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC1 ZINC000052404207 721949027 /nfs/dbraw/zinc/94/90/27/721949027.db2.gz UMCFABWZMGGANY-UHFFFAOYSA-N 1 0 415.607 2.790 20 0 HFADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]12 ZINC001164947319 721967092 /nfs/dbraw/zinc/96/70/92/721967092.db2.gz QKODODGLZUVAFT-DHLKQENFSA-N 1 0 419.573 2.602 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)nc1 ZINC001164951996 721986009 /nfs/dbraw/zinc/98/60/09/721986009.db2.gz NYHOZFSWMNTYQA-AQNXPRMDSA-N 1 0 406.596 2.879 20 0 HFADRO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164962101 722025086 /nfs/dbraw/zinc/02/50/86/722025086.db2.gz PQTVDZGSWXCMDG-UHFFFAOYSA-N 1 0 414.941 2.767 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@H]3COC[C@@H]32)nc1 ZINC001164962543 722038145 /nfs/dbraw/zinc/03/81/45/722038145.db2.gz NWFXSJHORDCFAW-DYQZNNLLSA-N 1 0 423.561 2.601 20 0 HFADRO c1nc2c(ncnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1C1CC1 ZINC001164960032 722059790 /nfs/dbraw/zinc/05/97/90/722059790.db2.gz DQEYHUFJRGBDSA-UHFFFAOYSA-N 1 0 419.533 2.675 20 0 HFADRO CC(=O)N1CCC[C@@]2(C1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001164968518 722083523 /nfs/dbraw/zinc/08/35/23/722083523.db2.gz DDOFCBXIFPPKDZ-RUZDIDTESA-N 1 0 420.557 2.858 20 0 HFADRO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978227 722098854 /nfs/dbraw/zinc/09/88/54/722098854.db2.gz GGPDFVPBPVEUQB-HZPDHXFCSA-N 1 0 409.868 2.797 20 0 HFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980804 722102139 /nfs/dbraw/zinc/10/21/39/722102139.db2.gz KKUOAIRNOXGEPC-SCDNRKHISA-N 1 0 422.529 2.780 20 0 HFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980736 722104630 /nfs/dbraw/zinc/10/46/30/722104630.db2.gz KBVYDDJJDIFGSP-XLIONFOSSA-N 1 0 414.481 2.520 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164986025 722104781 /nfs/dbraw/zinc/10/47/81/722104781.db2.gz XTDWJUCNIKULQF-NVXWUHKLSA-N 1 0 405.955 2.974 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164986203 722107095 /nfs/dbraw/zinc/10/70/95/722107095.db2.gz YJCHDJKWHNHMKC-NQIIRXRSSA-N 1 0 405.502 2.761 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164975069 722117742 /nfs/dbraw/zinc/11/77/42/722117742.db2.gz JFYQNOILPPWTML-MOPGFXCFSA-N 1 0 424.549 2.584 20 0 HFADRO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973058 722119417 /nfs/dbraw/zinc/11/94/17/722119417.db2.gz GGRDSGXETQJFII-WBVHZDCISA-N 1 0 409.868 2.797 20 0 HFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971958 722120706 /nfs/dbraw/zinc/12/07/06/722120706.db2.gz DZMIANSKPSUCMB-YJBOKZPZSA-N 1 0 423.895 2.984 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972699 722129001 /nfs/dbraw/zinc/12/90/01/722129001.db2.gz AIBJWLJPOQOBHQ-NHCUHLMSSA-N 1 0 408.550 2.589 20 0 HFADRO COc1cc2c(cc1F)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983869 722129572 /nfs/dbraw/zinc/12/95/72/722129572.db2.gz VWUFVAXQWCVHQS-HTAPYJJXSA-N 1 0 423.492 2.900 20 0 HFADRO CCOC(=O)/C=C\c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164978072 722129622 /nfs/dbraw/zinc/12/96/22/722129622.db2.gz JMXWMOPXQHTLFU-PUZSOODZSA-N 1 0 422.529 2.780 20 0 HFADRO COC(OC)c1cc(C)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980940 722133955 /nfs/dbraw/zinc/13/39/55/722133955.db2.gz NXSMBARUSYGQNQ-FPOVZHCZSA-N 1 0 412.534 2.804 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982691 722136273 /nfs/dbraw/zinc/13/62/73/722136273.db2.gz SCYYXKXEXODUOE-HZPDHXFCSA-N 1 0 405.955 2.974 20 0 HFADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164980255 722138683 /nfs/dbraw/zinc/13/86/83/722138683.db2.gz MEKIFAMVGVJNQE-UNMCSNQZSA-N 1 0 416.529 2.969 20 0 HFADRO Cc1noc(-c2cccnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982223 722142454 /nfs/dbraw/zinc/14/24/54/722142454.db2.gz RKYVIPSFJWUWEF-QUCCMNQESA-N 1 0 406.490 2.562 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977149 722153189 /nfs/dbraw/zinc/15/31/89/722153189.db2.gz XRTGQIHJQWGCOW-FPOVZHCZSA-N 1 0 410.518 2.769 20 0 HFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C[NH+](C)C)ccn4)CC[C@@H]32)cs1 ZINC001164986519 722185880 /nfs/dbraw/zinc/18/58/80/722185880.db2.gz FQEWBRUCPMNBRJ-VQTJNVASSA-N 1 0 401.580 2.778 20 0 HFADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164989705 722187708 /nfs/dbraw/zinc/18/77/08/722187708.db2.gz JFSPVICKQMJPSC-HXUWFJFHSA-N 1 0 400.567 2.779 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3[nH]cc(Cl)c31)CCC2 ZINC001165001398 722250601 /nfs/dbraw/zinc/25/06/01/722250601.db2.gz PTMYUZUICIDWTF-UHFFFAOYSA-N 1 0 424.336 2.950 20 0 HFADRO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)ccc1OC ZINC000790549165 1078053636 /nfs/dbraw/zinc/05/36/36/1078053636.db2.gz YSALZNARDMVUSP-NRFANRHFSA-N 1 0 412.490 2.943 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000790554364 1078055124 /nfs/dbraw/zinc/05/51/24/1078055124.db2.gz MQHVCZDSMXMDKT-UHFFFAOYSA-N 1 0 405.539 2.881 20 0 HFADRO C[C@@H]1CN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC2(CCOCC2)O1 ZINC000790603079 1078064968 /nfs/dbraw/zinc/06/49/68/1078064968.db2.gz HGDMCXFOVCOKBQ-GOSISDBHSA-N 1 0 403.592 2.795 20 0 HFADRO CC(C)n1nccc1CN1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000793087305 1078065258 /nfs/dbraw/zinc/06/52/58/1078065258.db2.gz HCCUOWGSNMPFCX-QGZVFWFLSA-N 1 0 407.559 2.850 20 0 HFADRO CCOC(=O)C1(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)CCCC1 ZINC000790605631 1078066184 /nfs/dbraw/zinc/06/61/84/1078066184.db2.gz UXWLFLLEXRDCPE-UHFFFAOYSA-N 1 0 402.539 2.992 20 0 HFADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000793091030 1078066872 /nfs/dbraw/zinc/06/68/72/1078066872.db2.gz HJAFDQPDJQTZGD-MAUKXSAKSA-N 1 0 414.333 2.608 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1F ZINC000790575480 1078066964 /nfs/dbraw/zinc/06/69/64/1078066964.db2.gz HDSUPOLHHMZFNN-SFHVURJKSA-N 1 0 413.559 2.706 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc2)C1=O ZINC000790612296 1078075193 /nfs/dbraw/zinc/07/51/93/1078075193.db2.gz WSALVVSRTUXNSK-QHCPKHFHSA-N 1 0 407.470 2.973 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cccc4c3OCCO4)cc2)C1=O ZINC000790611579 1078075889 /nfs/dbraw/zinc/07/58/89/1078075889.db2.gz SCHATNZXZSNBPM-QHCPKHFHSA-N 1 0 407.470 2.973 20 0 HFADRO COC(=O)c1cn(CC[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)nn1 ZINC000790614326 1078076240 /nfs/dbraw/zinc/07/62/40/1078076240.db2.gz PZFBCCXALNYGGK-UHFFFAOYSA-N 1 0 423.304 2.715 20 0 HFADRO CN(C(=O)c1nc(Br)ccc1Br)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000790626074 1078081344 /nfs/dbraw/zinc/08/13/44/1078081344.db2.gz XZMGFRAZIDVLRA-SNVBAGLBSA-N 1 0 403.118 2.915 20 0 HFADRO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772827110 1078084320 /nfs/dbraw/zinc/08/43/20/1078084320.db2.gz HBZRSNWXUCULGY-KIVTUJJHSA-N 1 0 422.573 2.849 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cccc(-c3nc[nH]n3)c2)cc1 ZINC000793154899 1078091950 /nfs/dbraw/zinc/09/19/50/1078091950.db2.gz FRUJOJIKBGRHQA-UHFFFAOYSA-N 1 0 407.474 2.763 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790676808 1078088240 /nfs/dbraw/zinc/08/82/40/1078088240.db2.gz LLEQOACAQZSWIR-NRFANRHFSA-N 1 0 412.509 2.830 20 0 HFADRO COCC1(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793167651 1078089884 /nfs/dbraw/zinc/08/98/84/1078089884.db2.gz HALBZZKMIIFZBK-ROUUACIJSA-N 1 0 411.587 2.887 20 0 HFADRO O=C1c2cc(Br)ccc2N(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772827642 1078096850 /nfs/dbraw/zinc/09/68/50/1078096850.db2.gz JKTXPSLJQFLUDZ-SUMWQHHRSA-N 1 0 418.335 2.885 20 0 HFADRO CC[C@@H](C)CC[C@@H](O)CC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000793242744 1078108880 /nfs/dbraw/zinc/10/88/80/1078108880.db2.gz ZHVDLWPNGOJUKX-WIYYLYMNSA-N 1 0 409.615 2.745 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CCC3(CCOCC3)CC2)CC1 ZINC000790762440 1078113015 /nfs/dbraw/zinc/11/30/15/1078113015.db2.gz QUWVXXRIMAVNPE-UHFFFAOYSA-N 1 0 424.586 2.531 20 0 HFADRO C[C@H]1C[C@H](NC(=O)c2nc(Br)ccc2Br)C[N@@H+]1C1CC1 ZINC000790761875 1078113373 /nfs/dbraw/zinc/11/33/73/1078113373.db2.gz YUEQBTXUAIFQDC-IUCAKERBSA-N 1 0 403.118 2.962 20 0 HFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790739450 1078120287 /nfs/dbraw/zinc/12/02/87/1078120287.db2.gz ZTEYLSGUSLUKCW-KPDCDPCYSA-N 1 0 404.501 2.995 20 0 HFADRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)C2=O)cc1 ZINC000790748246 1078124363 /nfs/dbraw/zinc/12/43/63/1078124363.db2.gz MEAFEYXKRJDLKH-QDSKXPNFSA-N 1 0 407.558 2.975 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793315383 1078134241 /nfs/dbraw/zinc/13/42/41/1078134241.db2.gz QWQJBNOZMREOBY-CEXWTWQISA-N 1 0 422.614 2.649 20 0 HFADRO Brc1nc(Br)n(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000772831223 1078137701 /nfs/dbraw/zinc/13/77/01/1078137701.db2.gz ZLQUCENMIAALLC-PWSUYJOCSA-N 1 0 419.165 2.709 20 0 HFADRO CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2nc(Cl)cs2)CC1 ZINC000790841984 1078144412 /nfs/dbraw/zinc/14/44/12/1078144412.db2.gz UJRFGCWLBWKHEG-OAHLLOKOSA-N 1 0 404.923 2.532 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)OC(C)(C)C ZINC000790847358 1078146790 /nfs/dbraw/zinc/14/67/90/1078146790.db2.gz NCXNDLUAHPMFIM-JQHSSLGASA-N 1 0 412.550 2.992 20 0 HFADRO CSC1(CNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC[NH+](C)CC1 ZINC000793368809 1078150523 /nfs/dbraw/zinc/15/05/23/1078150523.db2.gz XAGWUEHTWDTDRG-HMMYKYKNSA-N 1 0 424.570 2.796 20 0 HFADRO CC[NH+]1CCC(N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793352329 1078156991 /nfs/dbraw/zinc/15/69/91/1078156991.db2.gz LKWRWZJEZLAIOP-WOJBJXKFSA-N 1 0 410.518 2.521 20 0 HFADRO COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790896541 1078175518 /nfs/dbraw/zinc/17/55/18/1078175518.db2.gz QJTXRCNLIPPJCM-MOPGFXCFSA-N 1 0 402.539 2.928 20 0 HFADRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1 ZINC000793460379 1078179224 /nfs/dbraw/zinc/17/92/24/1078179224.db2.gz TYCSIBOXTANCDH-SFHVURJKSA-N 1 0 403.523 2.825 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@](C)(O)c3ccsc3)cc2)CC1 ZINC000790921246 1078184341 /nfs/dbraw/zinc/18/43/41/1078184341.db2.gz NWWPWTPBGHGFKO-OAQYLSRUSA-N 1 0 403.548 2.928 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793476229 1078185943 /nfs/dbraw/zinc/18/59/43/1078185943.db2.gz DJOBRZMKHCBWFU-AQNXPRMDSA-N 1 0 410.518 2.569 20 0 HFADRO Cc1n[nH]c(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1Br ZINC000793487404 1078190945 /nfs/dbraw/zinc/19/09/45/1078190945.db2.gz FWPHHKBDOWGORF-UHFFFAOYSA-N 1 0 407.312 2.884 20 0 HFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793457436 1078192644 /nfs/dbraw/zinc/19/26/44/1078192644.db2.gz BCZKTVUWYHDONJ-HRQSHJORSA-N 1 0 424.545 2.957 20 0 HFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793457434 1078192718 /nfs/dbraw/zinc/19/27/18/1078192718.db2.gz BCZKTVUWYHDONJ-ALFLXDJESA-N 1 0 424.545 2.957 20 0 HFADRO COCC1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793509199 1078194007 /nfs/dbraw/zinc/19/40/07/1078194007.db2.gz PEAUHNSNGGCJLC-UHFFFAOYSA-N 1 0 415.494 2.870 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2nccn3c(Br)cnc23)cc1 ZINC000793519600 1078198125 /nfs/dbraw/zinc/19/81/25/1078198125.db2.gz RRRAJIVHKNACEC-AWEZNQCLSA-N 1 0 418.295 2.533 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000793493230 1078200709 /nfs/dbraw/zinc/20/07/09/1078200709.db2.gz JTZSWCODVFZXAJ-UHFFFAOYSA-N 1 0 406.568 2.699 20 0 HFADRO CN(C)C(=O)Nc1ccc(CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000793494809 1078201971 /nfs/dbraw/zinc/20/19/71/1078201971.db2.gz IWEQEUXMQKMNNC-UHFFFAOYSA-N 1 0 410.522 2.854 20 0 HFADRO C[NH+](C)CCN(C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C1CCCC1 ZINC000793498964 1078203621 /nfs/dbraw/zinc/20/36/21/1078203621.db2.gz QHUMGNJLERROTO-SFTDATJTSA-N 1 0 424.545 2.911 20 0 HFADRO COc1ncc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1Cl ZINC000793543461 1078207240 /nfs/dbraw/zinc/20/72/40/1078207240.db2.gz UQBKJLMAUFVMMK-JTQLQIEISA-N 1 0 415.865 2.956 20 0 HFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c(Br)c1 ZINC000793587591 1078216218 /nfs/dbraw/zinc/21/62/18/1078216218.db2.gz HVSITLBLTQRGEG-WBVHZDCISA-N 1 0 422.323 2.915 20 0 HFADRO Cc1cc([C@@H](C)[NH2+]C[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)n(C)n1 ZINC000793566936 1078211662 /nfs/dbraw/zinc/21/16/62/1078211662.db2.gz NUEWBZMKGSKLDG-GDBMZVCRSA-N 1 0 419.492 2.863 20 0 HFADRO O=C(C[NH2+]C1CCC2(CC1)OCCO2)Nc1ccc(I)cc1 ZINC000793569301 1078211902 /nfs/dbraw/zinc/21/19/02/1078211902.db2.gz MVXINIIEOKPYMA-UHFFFAOYSA-N 1 0 416.259 2.505 20 0 HFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c(Br)c1 ZINC000793587588 1078215989 /nfs/dbraw/zinc/21/59/89/1078215989.db2.gz HVSITLBLTQRGEG-DOTOQJQBSA-N 1 0 422.323 2.915 20 0 HFADRO COC(=O)c1ccc(C[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c(Br)c1 ZINC000793587785 1078216003 /nfs/dbraw/zinc/21/60/03/1078216003.db2.gz UJTCLNGMSSPIJE-FUHWJXTLSA-N 1 0 408.292 2.810 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCSC1 ZINC000793612040 1078227748 /nfs/dbraw/zinc/22/77/48/1078227748.db2.gz IVAMEYGMOPOCGX-NHCUHLMSSA-N 1 0 405.564 2.589 20 0 HFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2cc(C3CC3)cnc2Cl)CC1 ZINC000793618808 1078229388 /nfs/dbraw/zinc/22/93/88/1078229388.db2.gz MVDPNLXFGDVAJA-UHFFFAOYSA-N 1 0 406.958 2.969 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000793630320 1078233081 /nfs/dbraw/zinc/23/30/81/1078233081.db2.gz KPTSCQHJSCIJTB-OALUTQOASA-N 1 0 415.578 2.859 20 0 HFADRO CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)NCc3ccc([C@@H](C)O)cc3)CC2)CC1 ZINC000793635985 1078236303 /nfs/dbraw/zinc/23/63/03/1078236303.db2.gz BDSVSHDLBPNOBH-HOHBBMLPSA-N 1 0 415.578 2.715 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000793651418 1078241533 /nfs/dbraw/zinc/24/15/33/1078241533.db2.gz MTNKVNZSYXACOU-HOYKHHGWSA-N 1 0 409.530 2.527 20 0 HFADRO O=C(NCc1ccn(-c2ccccc2)n1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000793662686 1078244446 /nfs/dbraw/zinc/24/44/46/1078244446.db2.gz SOBPAOACAHBRTL-HXUWFJFHSA-N 1 0 423.561 2.603 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793669751 1078246722 /nfs/dbraw/zinc/24/67/22/1078246722.db2.gz RBCFLPFNCSGXNZ-GBESFXJTSA-N 1 0 409.571 2.735 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000793683239 1078253343 /nfs/dbraw/zinc/25/33/43/1078253343.db2.gz BWBWROIILMEHLD-AQNXPRMDSA-N 1 0 401.551 2.683 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001170436091 1078255479 /nfs/dbraw/zinc/25/54/79/1078255479.db2.gz GVNCMCKKZSDFHW-PXCRPINLSA-N 1 0 416.518 2.912 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000793687276 1078256005 /nfs/dbraw/zinc/25/60/05/1078256005.db2.gz PQECBXGDQUNKKP-SIKLNZKXSA-N 1 0 409.530 2.832 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000793654854 1078258012 /nfs/dbraw/zinc/25/80/12/1078258012.db2.gz GOSPTLRHDMGCJT-JYBLXFRWSA-N 1 0 421.541 2.668 20 0 HFADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1Cn1nc2cnccn2c1=O ZINC000793726789 1078268323 /nfs/dbraw/zinc/26/83/23/1078268323.db2.gz ZBXNTQAAKGZNMK-NRFANRHFSA-N 1 0 408.550 2.514 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)[NH+]1CCCCC1 ZINC000793723272 1078266264 /nfs/dbraw/zinc/26/62/64/1078266264.db2.gz LYAMLKTZNUTOQJ-KBPBESRZSA-N 1 0 401.429 2.753 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CCCN(c3ccc(C)cc3)CC2)[NH+](C)C)cc1 ZINC000793723383 1078266390 /nfs/dbraw/zinc/26/63/90/1078266390.db2.gz WPYNXDCTJLEOKH-QHCPKHFHSA-N 1 0 422.573 2.761 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000793692479 1078269380 /nfs/dbraw/zinc/26/93/80/1078269380.db2.gz ZNTBAFYKAGJGDF-FUHIMQAGSA-N 1 0 415.559 2.831 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000793698005 1078272484 /nfs/dbraw/zinc/27/24/84/1078272484.db2.gz SVIOAUSDELXBJU-UXHICEINSA-N 1 0 401.551 2.541 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000793700277 1078273201 /nfs/dbraw/zinc/27/32/01/1078273201.db2.gz ZBKRXAOGQUEALN-PMACEKPBSA-N 1 0 409.530 2.693 20 0 HFADRO Cc1cccc2nc(C3CCN(C(=O)C(=O)NC[C@@H](C)[NH+]4CCCCC4)CC3)oc21 ZINC000793700836 1078273770 /nfs/dbraw/zinc/27/37/70/1078273770.db2.gz PGDDNXFWDYIDPV-QGZVFWFLSA-N 1 0 412.534 2.833 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[NH+]1CCCCC1 ZINC000793701993 1078274341 /nfs/dbraw/zinc/27/43/41/1078274341.db2.gz RQKBQVVQJNEKMA-GFCCVEGCSA-N 1 0 403.857 2.548 20 0 HFADRO CC(C)C[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)ccn1 ZINC000793705515 1078276720 /nfs/dbraw/zinc/27/67/20/1078276720.db2.gz DRLVAQQOWOBKFA-MSOLQXFVSA-N 1 0 404.555 2.502 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCC1(c2ccccc2Br)CC1)[NH+]1CCCCC1 ZINC000793707091 1078276927 /nfs/dbraw/zinc/27/69/27/1078276927.db2.gz ICBPCDPIWUKHIV-OAHLLOKOSA-N 1 0 422.367 2.588 20 0 HFADRO C[NH+]1CCC2(CCCN2C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793760125 1078280057 /nfs/dbraw/zinc/28/00/57/1078280057.db2.gz MITZYTNZTBEHFL-BGYRXZFFSA-N 1 0 422.529 2.665 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@@](C)(c4ccc(Cl)c(Cl)c4)C3=O)C2)C1 ZINC000793763224 1078281401 /nfs/dbraw/zinc/28/14/01/1078281401.db2.gz DKIPNUVAGSOWTD-RBUKOAKNSA-N 1 0 411.333 2.746 20 0 HFADRO Cc1ccc(Br)cc1CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793744672 1078288846 /nfs/dbraw/zinc/28/88/46/1078288846.db2.gz VNOLGVWZKJVXFN-UHFFFAOYSA-N 1 0 410.356 2.753 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000793808997 1078306512 /nfs/dbraw/zinc/30/65/12/1078306512.db2.gz DFDPCDMVIVAVCS-LEDOBFOHSA-N 1 0 403.567 2.504 20 0 HFADRO CSC[C@H]1CCCN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797918 1078301204 /nfs/dbraw/zinc/30/12/04/1078301204.db2.gz RTXBNVMAPPQBCU-UGKGYDQZSA-N 1 0 416.591 2.606 20 0 HFADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)COc2ccc(C)cc2)CC1 ZINC000793780068 1078309922 /nfs/dbraw/zinc/30/99/22/1078309922.db2.gz OAJYTNIOHUVTDV-LJQANCHMSA-N 1 0 403.567 2.849 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000793839421 1078311299 /nfs/dbraw/zinc/31/12/99/1078311299.db2.gz DQCWMKOMRBFXIC-PZJWPPBQSA-N 1 0 410.518 2.675 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21)c1ccco1 ZINC000793840871 1078311895 /nfs/dbraw/zinc/31/18/95/1078311895.db2.gz BFLVTFKJEUDGOP-HZPDHXFCSA-N 1 0 404.536 2.737 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001170438242 1078312037 /nfs/dbraw/zinc/31/20/37/1078312037.db2.gz QZTDBECJKGXYFL-CTAFRAEOSA-N 1 0 400.519 2.838 20 0 HFADRO C[C@H]1CCC[C@@](CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)([NH+](C)C)C1 ZINC000793812307 1078314795 /nfs/dbraw/zinc/31/47/95/1078314795.db2.gz LCVQURWFVIVOCN-AQALDHDDSA-N 1 0 415.578 2.560 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000793852173 1078323808 /nfs/dbraw/zinc/32/38/08/1078323808.db2.gz UXVCZEUQWSVHHW-MRXNPFEDSA-N 1 0 403.548 2.533 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001170438995 1078327181 /nfs/dbraw/zinc/32/71/81/1078327181.db2.gz XDVCQVOZHQZCAY-INIZCTEOSA-N 1 0 407.474 2.867 20 0 HFADRO C[NH+](C)CCOc1ccc(C=CC(=O)N[C@@H](Cc2nnc[nH]2)c2ccccc2)cc1 ZINC000793876624 1078331510 /nfs/dbraw/zinc/33/15/10/1078331510.db2.gz WGCINPLTRFLALT-DGDFFNOKSA-N 1 0 405.502 2.859 20 0 HFADRO C[NH+](C)CCOc1ccc(C=CC(=O)N[C@H](Cc2nnc[nH]2)c2ccccc2)cc1 ZINC000793876625 1078331678 /nfs/dbraw/zinc/33/16/78/1078331678.db2.gz WGCINPLTRFLALT-NZIDHHNMSA-N 1 0 405.502 2.859 20 0 HFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000793909560 1078334851 /nfs/dbraw/zinc/33/48/51/1078334851.db2.gz HUVUIWSGRSJRHO-APAFKAMOSA-N 1 0 421.607 2.645 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000793928354 1078340381 /nfs/dbraw/zinc/34/03/81/1078340381.db2.gz ATXUGAITZQUWGG-GQWLDOHISA-N 1 0 411.933 2.875 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000793930207 1078341007 /nfs/dbraw/zinc/34/10/07/1078341007.db2.gz JQHLGZKFRANIFO-RXVVDRJESA-N 1 0 408.546 2.711 20 0 HFADRO CN(C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793952603 1078345648 /nfs/dbraw/zinc/34/56/48/1078345648.db2.gz SQZZUMDBFGKBRS-GIVPXCGWSA-N 1 0 420.642 2.582 20 0 HFADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000793944866 1078354487 /nfs/dbraw/zinc/35/44/87/1078354487.db2.gz FANTVEXBWSOYGH-ICSRJNTNSA-N 1 0 409.615 2.914 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001170440918 1078355069 /nfs/dbraw/zinc/35/50/69/1078355069.db2.gz FPPFAMMQIULMGA-KGVIQGDOSA-N 1 0 403.523 2.631 20 0 HFADRO Cn1ccnc1[C@](O)(CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(F)(F)F ZINC000747166844 1078358965 /nfs/dbraw/zinc/35/89/65/1078358965.db2.gz MHJSIGMXXVGWLR-HXUWFJFHSA-N 1 0 424.467 2.976 20 0 HFADRO COCCCN(C(=O)CN1C(=S)N=NC1c1cccc(C)c1)C1CC[NH+](C)CC1 ZINC000794051487 1078365976 /nfs/dbraw/zinc/36/59/76/1078365976.db2.gz QIMNPEHZSLAGDF-UHFFFAOYSA-N 1 0 417.579 2.502 20 0 HFADRO COCCCN(C(=O)CN1C(=S)N=NC1c1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC000794050423 1078366053 /nfs/dbraw/zinc/36/60/53/1078366053.db2.gz IDIWKTQXSJHNPN-UHFFFAOYSA-N 1 0 417.579 2.502 20 0 HFADRO CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(C)C ZINC001170443188 1078374162 /nfs/dbraw/zinc/37/41/62/1078374162.db2.gz NCIBACGPVADFIL-IRLDBZIGSA-N 1 0 409.615 2.506 20 0 HFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000794222721 1078386417 /nfs/dbraw/zinc/38/64/17/1078386417.db2.gz XWZCLIHKPHQIIV-OAHLLOKOSA-N 1 0 401.548 2.705 20 0 HFADRO CC1=C(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@@H](C)n2ncnc2N1C ZINC000794146840 1078378087 /nfs/dbraw/zinc/37/80/87/1078378087.db2.gz HLAGMWIAIBRKLM-UYAOXDASSA-N 1 0 408.550 2.981 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000794207912 1078382636 /nfs/dbraw/zinc/38/26/36/1078382636.db2.gz UZIUUWHZSZSZMX-HMAPJEAMSA-N 1 0 404.514 2.986 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 ZINC001170444695 1078391356 /nfs/dbraw/zinc/39/13/56/1078391356.db2.gz ULRALUUVWAYBPJ-RBUKOAKNSA-N 1 0 410.518 2.608 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330407 1078415681 /nfs/dbraw/zinc/41/56/81/1078415681.db2.gz VZCNNIQSZYRIEC-CVEARBPZSA-N 1 0 401.548 2.593 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000794339001 1078419152 /nfs/dbraw/zinc/41/91/52/1078419152.db2.gz KHPGVNSYPMLLFA-UHFFFAOYSA-N 1 0 422.327 2.767 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CC1 ZINC000794346544 1078421531 /nfs/dbraw/zinc/42/15/31/1078421531.db2.gz VODQSVLIFMRGJO-UHFFFAOYSA-N 1 0 413.478 2.666 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000804373501 1078438029 /nfs/dbraw/zinc/43/80/29/1078438029.db2.gz UNQSTLSEWYBUHG-ATZDWAIDSA-N 1 0 416.541 2.661 20 0 HFADRO Cc1cc(C2(C(=O)N(C)C3CC[NH+](CCC(F)(F)F)CC3)CCOCC2)on1 ZINC001129799764 1078475677 /nfs/dbraw/zinc/47/56/77/1078475677.db2.gz GAZSZTPHBOCHQC-UHFFFAOYSA-N 1 0 403.445 2.906 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC001129808293 1078505654 /nfs/dbraw/zinc/50/56/54/1078505654.db2.gz NUCVQMWXMHZXDY-UHFFFAOYSA-N 1 0 418.326 2.802 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000804441328 1078506080 /nfs/dbraw/zinc/50/60/80/1078506080.db2.gz JSIIIMJGUGFTLQ-UHFFFAOYSA-N 1 0 417.579 2.967 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 ZINC000804442553 1078509283 /nfs/dbraw/zinc/50/92/83/1078509283.db2.gz DOWWFUSYXVJRAH-UHFFFAOYSA-N 1 0 413.559 2.804 20 0 HFADRO O=C(C[C@@H](O)c1cccc(F)c1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804448950 1078516316 /nfs/dbraw/zinc/51/63/16/1078516316.db2.gz SDYJKJXMLQSNMA-DHIUTWEWSA-N 1 0 411.521 2.668 20 0 HFADRO Cc1c(C(=O)N[C@H](C)[C@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000804475786 1078518909 /nfs/dbraw/zinc/51/89/09/1078518909.db2.gz HUPCYIOJUIAXOY-MWTRTKDXSA-N 1 0 419.529 2.724 20 0 HFADRO COC(=O)c1cnc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)cc1C(F)(F)F ZINC000804462713 1078526130 /nfs/dbraw/zinc/52/61/30/1078526130.db2.gz DPXPHWTXBLPVRN-SECBINFHSA-N 1 0 401.414 2.634 20 0 HFADRO CC(=O)N1C[C@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000747192138 1078546299 /nfs/dbraw/zinc/54/62/99/1078546299.db2.gz XQFXHGQCMGUGPT-OAQYLSRUSA-N 1 0 413.543 2.890 20 0 HFADRO CN(C(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCCCCCC1 ZINC000804522608 1078562559 /nfs/dbraw/zinc/56/25/59/1078562559.db2.gz XHYWPVCDWDMKTP-UHFFFAOYSA-N 1 0 415.578 2.831 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccn2c(I)cnc12 ZINC000804524419 1078562969 /nfs/dbraw/zinc/56/29/69/1078562969.db2.gz BEIKHZOOVURTRO-OLZOCXBDSA-N 1 0 424.286 2.638 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccn2c(I)cnc12 ZINC000804524418 1078563019 /nfs/dbraw/zinc/56/30/19/1078563019.db2.gz BEIKHZOOVURTRO-CHWSQXEVSA-N 1 0 424.286 2.638 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000804524454 1078563038 /nfs/dbraw/zinc/56/30/38/1078563038.db2.gz QNDFGHAOXRTHEP-HOCLYGCPSA-N 1 0 411.955 2.579 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000804524578 1078564394 /nfs/dbraw/zinc/56/43/94/1078564394.db2.gz SBJMTDJGXCZGQD-SJORKVTESA-N 1 0 420.554 2.618 20 0 HFADRO CC(=O)c1ccc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(S(N)(=O)=O)c1 ZINC000804528300 1078566374 /nfs/dbraw/zinc/56/63/74/1078566374.db2.gz YWEXFQIRDNJANI-INIZCTEOSA-N 1 0 401.532 2.637 20 0 HFADRO Cn1ncc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1Br ZINC000804534268 1078570937 /nfs/dbraw/zinc/57/09/37/1078570937.db2.gz FUFPUMHLICQDMO-LJQANCHMSA-N 1 0 403.324 2.921 20 0 HFADRO C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1)c1ccccc1 ZINC001129903677 1078576178 /nfs/dbraw/zinc/57/61/78/1078576178.db2.gz AXCYWFZGXUSEOX-XLIONFOSSA-N 1 0 415.559 2.892 20 0 HFADRO Cc1cc(N2C[C@H](C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2=O)ccc1Br ZINC001129906039 1078578059 /nfs/dbraw/zinc/57/80/59/1078578059.db2.gz VJUOMIODOIVAGC-GDBMZVCRSA-N 1 0 408.340 2.663 20 0 HFADRO COC(=O)[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1c1ccccc1 ZINC001129611202 1078581903 /nfs/dbraw/zinc/58/19/03/1078581903.db2.gz YLUZOUITLHHMIR-DHIUTWEWSA-N 1 0 424.541 2.975 20 0 HFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730153 1078588915 /nfs/dbraw/zinc/58/89/15/1078588915.db2.gz YGGXBBGJEASFPV-FUHWJXTLSA-N 1 0 409.452 2.622 20 0 HFADRO C[N@H+](CCCCNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1CC1 ZINC001129628738 1078601855 /nfs/dbraw/zinc/60/18/55/1078601855.db2.gz YFXRHJYBFRTUCD-QGOAFFKASA-N 1 0 419.591 2.690 20 0 HFADRO CCCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)ccc1Br ZINC000804775596 1078600812 /nfs/dbraw/zinc/60/08/12/1078600812.db2.gz JUXJCQSKLYUBHM-ZDUSSCGKSA-N 1 0 417.369 2.847 20 0 HFADRO CC(C)[C@@H](C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+]1CCCCC1 ZINC000804761327 1078611051 /nfs/dbraw/zinc/61/10/51/1078611051.db2.gz BWFAQYASGMZZSE-PMACEKPBSA-N 1 0 422.614 2.651 20 0 HFADRO COC(=O)c1cnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1C(F)(F)F ZINC000804579299 1078635240 /nfs/dbraw/zinc/63/52/40/1078635240.db2.gz SAOSDGJPMNURGB-UHFFFAOYSA-N 1 0 414.472 2.882 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000804828793 1078667708 /nfs/dbraw/zinc/66/77/08/1078667708.db2.gz ANCDTOSPDUIQBK-SIKLNZKXSA-N 1 0 422.573 2.786 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000804828238 1078668280 /nfs/dbraw/zinc/66/82/80/1078668280.db2.gz LGTNGSXNICHFSF-FQEVSTJZSA-N 1 0 414.594 2.729 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000804832126 1078672797 /nfs/dbraw/zinc/67/27/97/1078672797.db2.gz WJTIJENWTYCSJF-FQEVSTJZSA-N 1 0 414.594 2.874 20 0 HFADRO COC(=O)c1cnc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804625836 1078678674 /nfs/dbraw/zinc/67/86/74/1078678674.db2.gz GLCBRBAPZNEVNT-FQEVSTJZSA-N 1 0 423.435 2.960 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000804626798 1078680481 /nfs/dbraw/zinc/68/04/81/1078680481.db2.gz RCFMBTTZSNMUIB-GOSISDBHSA-N 1 0 419.349 2.613 20 0 HFADRO CCOC(=O)c1c(NC(=O)CN2C[C@H]3CC[N@H+](C)[C@H]3C2)sc2c1CC[C@H](C)C2 ZINC001170459427 1078681398 /nfs/dbraw/zinc/68/13/98/1078681398.db2.gz GXMDMNBWGNMUBC-LZWOXQAQSA-N 1 0 405.564 2.624 20 0 HFADRO CCS(=O)(=O)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001129734367 1078681409 /nfs/dbraw/zinc/68/14/09/1078681409.db2.gz SLZMOUIXOVALKT-LEWJYISDSA-N 1 0 406.592 2.866 20 0 HFADRO CC(C)(C)c1csc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000804863632 1078688051 /nfs/dbraw/zinc/68/80/51/1078688051.db2.gz LTOPUUSMXVIICR-UHFFFAOYSA-N 1 0 406.596 2.970 20 0 HFADRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(F)c1F ZINC001129742655 1078714870 /nfs/dbraw/zinc/71/48/70/1078714870.db2.gz NMKUZTUHHJWQEE-UHFFFAOYSA-N 1 0 401.457 2.901 20 0 HFADRO CCCn1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)nn1 ZINC001129975691 1078719416 /nfs/dbraw/zinc/71/94/16/1078719416.db2.gz GBJMFZUKLQUFSQ-UHFFFAOYSA-N 1 0 409.332 2.701 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH+]1CCN(c3cccc(F)n3)CC1)O2 ZINC001170469854 1078725327 /nfs/dbraw/zinc/72/53/27/1078725327.db2.gz SBQQVULQDSJLIB-MRXNPFEDSA-N 1 0 406.502 2.511 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000804906271 1078729018 /nfs/dbraw/zinc/72/90/18/1078729018.db2.gz HLGVPXYRIGQUBL-LJQANCHMSA-N 1 0 413.440 2.572 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000804912597 1078734754 /nfs/dbraw/zinc/73/47/54/1078734754.db2.gz ZTMWHKIGAKICCQ-UHFFFAOYSA-N 1 0 422.017 2.762 20 0 HFADRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000804989964 1078793138 /nfs/dbraw/zinc/79/31/38/1078793138.db2.gz MFAFIDWTOIADEQ-UHFFFAOYSA-N 1 0 401.891 2.683 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000804954665 1078796116 /nfs/dbraw/zinc/79/61/16/1078796116.db2.gz PLIYSRCBZOLKQA-RKVPGOIHSA-N 1 0 407.477 2.882 20 0 HFADRO Cc1nc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c(Br)n1C ZINC000804963395 1078801598 /nfs/dbraw/zinc/80/15/98/1078801598.db2.gz UTMKUXWLSXRZDE-BZPMIXESSA-N 1 0 419.389 2.517 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000804975817 1078810711 /nfs/dbraw/zinc/81/07/11/1078810711.db2.gz BAEBUUGOBAEUEI-LBTNJELSSA-N 1 0 407.477 2.880 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805013999 1078823938 /nfs/dbraw/zinc/82/39/38/1078823938.db2.gz MREGNVIUDOMMEZ-HXUWFJFHSA-N 1 0 402.539 2.676 20 0 HFADRO O=S(=O)(NCCCCC[NH+]1CCCCC1)c1ccccc1S(=O)(=O)C(F)F ZINC000804993516 1078845160 /nfs/dbraw/zinc/84/51/60/1078845160.db2.gz PNLMDBYAZUAYTD-UHFFFAOYSA-N 1 0 424.535 2.617 20 0 HFADRO CC(C)N(C(=O)CC1CCN(S(C)(=O)=O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130058311 1078881527 /nfs/dbraw/zinc/88/15/27/1078881527.db2.gz YVFKQCXJGIEWOA-NRFANRHFSA-N 1 0 421.607 2.560 20 0 HFADRO CC[N@H+]1CC=C(c2cnc(NCCOCCOCCOCCOC)c(C)c2)CC1 ZINC001170475486 1078889309 /nfs/dbraw/zinc/88/93/09/1078889309.db2.gz VFZRWDWXQYMJQJ-UHFFFAOYSA-N 1 0 407.555 2.607 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000805135298 1078933090 /nfs/dbraw/zinc/93/30/90/1078933090.db2.gz IKMHPBSTOCVOSV-WMLDXEAASA-N 1 0 405.392 2.565 20 0 HFADRO O=C(CCOc1ccc(Cl)cc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747229533 1078938170 /nfs/dbraw/zinc/93/81/70/1078938170.db2.gz KCCMKQCHMGOBDO-KBPBESRZSA-N 1 0 417.731 2.851 20 0 HFADRO COc1cc(Cl)ccc1CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000805169656 1078957002 /nfs/dbraw/zinc/95/70/02/1078957002.db2.gz PIUNHBQENRZEQO-UHFFFAOYSA-N 1 0 403.910 2.685 20 0 HFADRO COC[C@]1(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805180794 1078964982 /nfs/dbraw/zinc/96/49/82/1078964982.db2.gz DMAGCZKDABLBHD-LAUBAEHRSA-N 1 0 412.575 2.576 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000805335965 1079024371 /nfs/dbraw/zinc/02/43/71/1079024371.db2.gz YSPAFSHGOUGDRH-RHSMWYFYSA-N 1 0 411.543 2.601 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000805335966 1079024400 /nfs/dbraw/zinc/02/44/00/1079024400.db2.gz YSPAFSHGOUGDRH-WMLDXEAASA-N 1 0 411.543 2.601 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC000805312755 1079032983 /nfs/dbraw/zinc/03/29/83/1079032983.db2.gz WHJDZPFCIVITMW-ROUUACIJSA-N 1 0 408.543 3.000 20 0 HFADRO COc1ccccc1C(C)(C)CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001626114609 1079034322 /nfs/dbraw/zinc/03/43/22/1079034322.db2.gz LJUMBWQLMZVLLS-KRWDZBQOSA-N 1 0 407.555 2.934 20 0 HFADRO CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001130179294 1079038978 /nfs/dbraw/zinc/03/89/78/1079038978.db2.gz MXEWPXJOCOIBEY-HSZRJFAPSA-N 1 0 405.542 2.988 20 0 HFADRO COCc1nn(C)cc1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001130168679 1079049826 /nfs/dbraw/zinc/04/98/26/1079049826.db2.gz HFOGHHOKFGQUKY-UHFFFAOYSA-N 1 0 424.343 2.579 20 0 HFADRO CN(C)Cc1cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)no1 ZINC001130169747 1079050236 /nfs/dbraw/zinc/05/02/36/1079050236.db2.gz WZWABANKZIYQER-UHFFFAOYSA-N 1 0 424.343 2.749 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000805411763 1079073259 /nfs/dbraw/zinc/07/32/59/1079073259.db2.gz YFLYPXKYYWYUHP-VQTJNVASSA-N 1 0 402.539 2.811 20 0 HFADRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001170481615 1079077661 /nfs/dbraw/zinc/07/76/61/1079077661.db2.gz WFTYIQXKQHBXOO-KSZLIROESA-N 1 0 400.441 2.869 20 0 HFADRO COC(=O)c1nnn(-c2ccccc2)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001130201910 1079100967 /nfs/dbraw/zinc/10/09/67/1079100967.db2.gz WNSVVXNCMOQYRK-SFHVURJKSA-N 1 0 419.485 2.905 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1F ZINC000747253490 1079153997 /nfs/dbraw/zinc/15/39/97/1079153997.db2.gz LBXJDTDPIBOXFM-ZBFHGGJFSA-N 1 0 406.479 2.726 20 0 HFADRO COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000747253098 1079160125 /nfs/dbraw/zinc/16/01/25/1079160125.db2.gz IDLHIBSILRVQNO-UHFFFAOYSA-N 1 0 424.563 2.805 20 0 HFADRO CC(C)(C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)N1CCCC1 ZINC000805610394 1079174203 /nfs/dbraw/zinc/17/42/03/1079174203.db2.gz IQGTWOVIOUIIOH-UHFFFAOYSA-N 1 0 405.564 2.592 20 0 HFADRO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001130300641 1079192141 /nfs/dbraw/zinc/19/21/41/1079192141.db2.gz BXHITWYTXGNIGR-RBUKOAKNSA-N 1 0 407.580 2.819 20 0 HFADRO COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001130301634 1079193790 /nfs/dbraw/zinc/19/37/90/1079193790.db2.gz SKNUCRRZLJQKTR-MSOLQXFVSA-N 1 0 401.536 2.501 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000747256274 1079194306 /nfs/dbraw/zinc/19/43/06/1079194306.db2.gz JBPAXIYCZXWWMU-YFHOEESVSA-N 1 0 406.548 2.759 20 0 HFADRO Cc1ccc(CC(=O)O[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000805666953 1079210833 /nfs/dbraw/zinc/21/08/33/1079210833.db2.gz YYBNUTOLYACDME-LPHOPBHVSA-N 1 0 415.921 2.908 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000805726547 1079237341 /nfs/dbraw/zinc/23/73/41/1079237341.db2.gz NMRQPKWWVRWTTC-FQEVSTJZSA-N 1 0 404.551 2.806 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000805728886 1079238179 /nfs/dbraw/zinc/23/81/79/1079238179.db2.gz VTUOWQIQZXTUGN-FQEVSTJZSA-N 1 0 404.551 2.760 20 0 HFADRO CC(C)(C)OC(=O)NCCC[N@H+](CC1CCCC1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000805779431 1079249721 /nfs/dbraw/zinc/24/97/21/1079249721.db2.gz WVMQPZAWDMKIBW-GOSISDBHSA-N 1 0 417.616 2.675 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747268673 1079251669 /nfs/dbraw/zinc/25/16/69/1079251669.db2.gz VXEVYEWGQFJICC-NSHDSACASA-N 1 0 409.335 2.933 20 0 HFADRO C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805790514 1079257095 /nfs/dbraw/zinc/25/70/95/1079257095.db2.gz ATVVYRHTJDONQO-VQTJNVASSA-N 1 0 402.535 2.966 20 0 HFADRO COc1ccc([C@@H](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)NC(C)=O)cc1 ZINC000021487867 1079274312 /nfs/dbraw/zinc/27/43/12/1079274312.db2.gz FJRXRFDLCPYQLU-JOCHJYFZSA-N 1 0 424.545 2.961 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000805766603 1079267300 /nfs/dbraw/zinc/26/73/00/1079267300.db2.gz AGIRMSVOKJEDLP-UTKZUKDTSA-N 1 0 410.518 2.707 20 0 HFADRO Cc1cc(=O)n2nc(C[N@@H+]3CCCC[C@@H]3CCNC(=O)OC(C)(C)C)sc2n1 ZINC000805765939 1079268267 /nfs/dbraw/zinc/26/82/67/1079268267.db2.gz SMWYWYDACXFRMX-CQSZACIVSA-N 1 0 407.540 2.729 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000805766881 1079269924 /nfs/dbraw/zinc/26/99/24/1079269924.db2.gz CWPHZWPOIRWWQY-YXTQBTIXSA-N 1 0 400.567 2.797 20 0 HFADRO CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000805844388 1079321462 /nfs/dbraw/zinc/32/14/62/1079321462.db2.gz JECKRCZAVQFEFT-UHFFFAOYSA-N 1 0 416.499 2.515 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C(C)(C)C1 ZINC001130421264 1079340839 /nfs/dbraw/zinc/34/08/39/1079340839.db2.gz NCZVLXPYKSFEJO-HTAPYJJXSA-N 1 0 409.571 2.593 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000805940743 1079343149 /nfs/dbraw/zinc/34/31/49/1079343149.db2.gz BDHJGQFSNYXMKB-SIKLNZKXSA-N 1 0 411.546 2.514 20 0 HFADRO COC(=O)[C@@]1(NC(=O)C[C@H]2OCc3ccccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC001130448184 1079349342 /nfs/dbraw/zinc/34/93/42/1079349342.db2.gz LPWQGRKCQSIMPU-ZJSXRUAMSA-N 1 0 408.498 2.972 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cccc(C4(C)OCCO4)n3)cc2)CC1 ZINC001170496679 1079402579 /nfs/dbraw/zinc/40/25/79/1079402579.db2.gz ZLHFWBASYBQMHT-WWDZGPRUSA-N 1 0 410.518 2.673 20 0 HFADRO C[NH+]1CCC(OCC(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)CC1 ZINC001130507417 1079426933 /nfs/dbraw/zinc/42/69/33/1079426933.db2.gz ZEGRLDDJYYOCAL-UHFFFAOYSA-N 1 0 409.502 2.577 20 0 HFADRO CCOc1nc(Cl)ncc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170499609 1079437005 /nfs/dbraw/zinc/43/70/05/1079437005.db2.gz GLXCLCGCYBQFRI-WLYUNCDWSA-N 1 0 403.914 2.900 20 0 HFADRO CCc1nc([C@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000806110578 1079440447 /nfs/dbraw/zinc/44/04/47/1079440447.db2.gz ICABEXBQJNJCCC-AOMKIAJQSA-N 1 0 414.575 2.911 20 0 HFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1-n1cncn1 ZINC001130519843 1079451547 /nfs/dbraw/zinc/45/15/47/1079451547.db2.gz XVQUEZRQRDYINF-JKSUJKDBSA-N 1 0 404.312 2.777 20 0 HFADRO CC[N@H+](Cc1ccc(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1)C(C)C ZINC000806125334 1079456089 /nfs/dbraw/zinc/45/60/89/1079456089.db2.gz HFPFSDUVOIVCAL-INIZCTEOSA-N 1 0 424.485 2.896 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000806173318 1079463635 /nfs/dbraw/zinc/46/36/35/1079463635.db2.gz HWLBHKHVHCAPMJ-BSDSXHPESA-N 1 0 400.585 2.969 20 0 HFADRO Cn1nc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1C(F)(F)F ZINC001130527859 1079464383 /nfs/dbraw/zinc/46/43/83/1079464383.db2.gz IZTLZSLYGSRCGQ-IRXDYDNUSA-N 1 0 408.424 2.554 20 0 HFADRO COCCOc1cccc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130529730 1079466234 /nfs/dbraw/zinc/46/62/34/1079466234.db2.gz YOLTXJXQMMEOAP-GOTSBHOMSA-N 1 0 410.514 2.827 20 0 HFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CC(OC(=O)NC(C)C)C2)CC1 ZINC000806145320 1079467130 /nfs/dbraw/zinc/46/71/30/1079467130.db2.gz IKBHRRLIBHDOJL-UHFFFAOYSA-N 1 0 423.945 2.833 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H](C(F)(F)F)[C@H](CO)C3)cc2)CC1 ZINC000806155042 1079470446 /nfs/dbraw/zinc/47/04/46/1079470446.db2.gz LUWVCCCJCXBXRZ-YJBOKZPZSA-N 1 0 414.472 2.853 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000806167989 1079475807 /nfs/dbraw/zinc/47/58/07/1079475807.db2.gz QCFDDQSUFBZIPF-XSDIEEQYSA-N 1 0 404.551 2.984 20 0 HFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806182886 1079476704 /nfs/dbraw/zinc/47/67/04/1079476704.db2.gz GFNXUPNPULSNKE-GJZGRUSLSA-N 1 0 422.938 2.505 20 0 HFADRO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]C3CCN(S(C)(=O)=O)CC3)cccc21 ZINC000806182549 1079477132 /nfs/dbraw/zinc/47/71/32/1079477132.db2.gz WIVLILMKJIUDGY-UHFFFAOYSA-N 1 0 423.579 2.888 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccn(-c4cccnc4)c(=O)c3)cc2)CC1 ZINC001170500853 1079486907 /nfs/dbraw/zinc/48/69/07/1079486907.db2.gz QZMGRORSKRMTQH-LMDPOFIKSA-N 1 0 417.513 2.604 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccnn2C2CCCCC2)CC1 ZINC000806246290 1079500423 /nfs/dbraw/zinc/50/04/23/1079500423.db2.gz MZSPJDFLVCFMBI-UHFFFAOYSA-N 1 0 407.559 2.979 20 0 HFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000746676222 1076750747 /nfs/dbraw/zinc/75/07/47/1076750747.db2.gz IGSXRFKQLVVJAJ-AVRDEDQJSA-N 1 0 402.560 2.720 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303302 1076752138 /nfs/dbraw/zinc/75/21/38/1076752138.db2.gz KYDWMALSXHAFDZ-CRAIPNDOSA-N 1 0 404.523 2.910 20 0 HFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787370707 1076777730 /nfs/dbraw/zinc/77/77/30/1076777730.db2.gz CJUJZJBGVPGZPY-CVEARBPZSA-N 1 0 405.543 2.548 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](Cc4cnn(C)c4)C3)cc2)C[C@@H](C)O1 ZINC000746679118 1076795427 /nfs/dbraw/zinc/79/54/27/1076795427.db2.gz OAVCRJANBZCFNQ-QRVBRYPASA-N 1 0 411.550 2.537 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2cc3c(cc2Br)OCCO3)n1 ZINC000787388992 1076804828 /nfs/dbraw/zinc/80/48/28/1076804828.db2.gz HDSPRRITRKGCGD-UHFFFAOYSA-N 1 0 410.272 2.622 20 0 HFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393291 1076806410 /nfs/dbraw/zinc/80/64/10/1076806410.db2.gz IDJQRZQVHQRHCJ-SJORKVTESA-N 1 0 419.570 2.938 20 0 HFADRO CC(=O)Nc1cccc(NC(=S)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000746686577 1076838577 /nfs/dbraw/zinc/83/85/77/1076838577.db2.gz DPBFQNGROAPPQK-UHFFFAOYSA-N 1 0 413.503 2.923 20 0 HFADRO CCCCN(C)c1ccc(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000787558704 1076849497 /nfs/dbraw/zinc/84/94/97/1076849497.db2.gz IVSPJLIHDQWBTF-UHFFFAOYSA-N 1 0 412.538 2.963 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]2C1(C)C ZINC000787532639 1076851014 /nfs/dbraw/zinc/85/10/14/1076851014.db2.gz KTJUUVZIIBOSSV-DRSNIGMVSA-N 1 0 411.587 2.885 20 0 HFADRO CCCCN1C(=O)c2ccc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)cc2C1=O ZINC000787563406 1076866027 /nfs/dbraw/zinc/86/60/27/1076866027.db2.gz LUOOOIMJNGJYSL-UHFFFAOYSA-N 1 0 415.534 2.656 20 0 HFADRO CCN(c1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1)C(C)C ZINC000787606772 1076875918 /nfs/dbraw/zinc/87/59/18/1076875918.db2.gz KQXWVEHZZMTEPL-GOSISDBHSA-N 1 0 416.566 2.572 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)CCC2 ZINC000787615525 1076879912 /nfs/dbraw/zinc/87/99/12/1076879912.db2.gz IMTVBRQQSBZHCE-ROUUACIJSA-N 1 0 406.596 2.818 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)ncc21)c1ccsc1 ZINC000787617846 1076880369 /nfs/dbraw/zinc/88/03/69/1076880369.db2.gz UBNIZYQNFCJVID-RBUKOAKNSA-N 1 0 415.563 2.539 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](c2ccccn2)C1)c1ccsc1 ZINC000787618393 1076880394 /nfs/dbraw/zinc/88/03/94/1076880394.db2.gz WLOQAVBAACTXLL-LPHOPBHVSA-N 1 0 400.548 2.658 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1)c1ccsc1 ZINC000787618399 1076880399 /nfs/dbraw/zinc/88/03/99/1076880399.db2.gz WLOQAVBAACTXLL-VQIMIIECSA-N 1 0 400.548 2.658 20 0 HFADRO CCN(c1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1)C(C)C ZINC000787603938 1076889290 /nfs/dbraw/zinc/88/92/90/1076889290.db2.gz KQXWVEHZZMTEPL-SFHVURJKSA-N 1 0 416.566 2.572 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC000787709422 1076921061 /nfs/dbraw/zinc/92/10/61/1076921061.db2.gz WZSIOUKBPPEZJN-HBMCJLEFSA-N 1 0 414.594 2.564 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H](N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000787710117 1076921305 /nfs/dbraw/zinc/92/13/05/1076921305.db2.gz ZZSBBOCIUIKABM-NZQKXSOJSA-N 1 0 403.567 2.607 20 0 HFADRO Cc1occc1C(=O)NC1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787716326 1076924101 /nfs/dbraw/zinc/92/41/01/1076924101.db2.gz HDKHWNYTNAYEIJ-PGRDOPGGSA-N 1 0 421.538 2.543 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)CCC2 ZINC000787751184 1076926293 /nfs/dbraw/zinc/92/62/93/1076926293.db2.gz KEQRKTWLURNCIP-OALUTQOASA-N 1 0 412.559 2.898 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccccc2-n2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000787752650 1076927723 /nfs/dbraw/zinc/92/77/23/1076927723.db2.gz ZJWIVUNAMJOVPN-MJGOQNOKSA-N 1 0 414.506 2.903 20 0 HFADRO CC(C)OC(=O)N1CCC([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000787758151 1076929040 /nfs/dbraw/zinc/92/90/40/1076929040.db2.gz CXBSCUXWAITMGV-ZDUSSCGKSA-N 1 0 400.317 2.598 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCN1C(=O)OC(C)(C)C ZINC000787759398 1076929089 /nfs/dbraw/zinc/92/90/89/1076929089.db2.gz GDCTWNZBHFQXBC-IGKNDFSCSA-N 1 0 408.539 2.865 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000787731398 1076933763 /nfs/dbraw/zinc/93/37/63/1076933763.db2.gz RGVVEEMIKPPMOB-UHFFFAOYSA-N 1 0 406.527 2.814 20 0 HFADRO Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000787730796 1076934112 /nfs/dbraw/zinc/93/41/12/1076934112.db2.gz NRCPUYYCUGAOED-UHFFFAOYSA-N 1 0 400.523 2.782 20 0 HFADRO O=C(NCCSC(F)(F)F)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787736545 1076936404 /nfs/dbraw/zinc/93/64/04/1076936404.db2.gz LGKRWMXGUUWTJN-HNNXBMFYSA-N 1 0 403.470 2.699 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)no1 ZINC000787736594 1076936418 /nfs/dbraw/zinc/93/64/18/1076936418.db2.gz MECJUSUOBPARRB-NHCUHLMSSA-N 1 0 410.518 2.990 20 0 HFADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000787741094 1076937731 /nfs/dbraw/zinc/93/77/31/1076937731.db2.gz YHECINSMPVZSPQ-YADHBBJMSA-N 1 0 421.541 2.840 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1 ZINC000787740734 1076937740 /nfs/dbraw/zinc/93/77/40/1076937740.db2.gz HXUSHBYQVDNUTC-AOMKIAJQSA-N 1 0 414.502 2.988 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000787769286 1076941628 /nfs/dbraw/zinc/94/16/28/1076941628.db2.gz UXXQLPQWELEXGF-UHFFFAOYSA-N 1 0 401.960 2.684 20 0 HFADRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000787877339 1076972172 /nfs/dbraw/zinc/97/21/72/1076972172.db2.gz XANKQBAGVRCHAD-MOPGFXCFSA-N 1 0 403.567 2.902 20 0 HFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787877834 1076973839 /nfs/dbraw/zinc/97/38/39/1076973839.db2.gz DIBVBBUUXOPEES-JKSUJKDBSA-N 1 0 405.543 2.737 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000787883529 1076976180 /nfs/dbraw/zinc/97/61/80/1076976180.db2.gz JRHRHNRNJKQUTJ-UHFFFAOYSA-N 1 0 410.971 2.850 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC2CCN(C(=O)OC(C)C)CC2)cc1 ZINC000787884283 1076976938 /nfs/dbraw/zinc/97/69/38/1076976938.db2.gz HDVKKNFOJLMTOB-UHFFFAOYSA-N 1 0 418.538 2.593 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)cc1 ZINC000787886300 1076978010 /nfs/dbraw/zinc/97/80/10/1076978010.db2.gz XIWVBGVWYVZCTQ-JOCHJYFZSA-N 1 0 419.472 2.769 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000787904494 1076988650 /nfs/dbraw/zinc/98/86/50/1076988650.db2.gz SZGLKUWUKHXTDX-UGKGYDQZSA-N 1 0 415.578 2.729 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000787904271 1076988670 /nfs/dbraw/zinc/98/86/70/1076988670.db2.gz QVPRXMXDSQZFTG-SFTDATJTSA-N 1 0 414.594 2.851 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)C1 ZINC000787911730 1076992420 /nfs/dbraw/zinc/99/24/20/1076992420.db2.gz QEAXDQQNNWPAKI-CEXWTWQISA-N 1 0 421.607 2.791 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)C1 ZINC000787911753 1076992437 /nfs/dbraw/zinc/99/24/37/1076992437.db2.gz QEAXDQQNNWPAKI-QYZOEREBSA-N 1 0 421.607 2.791 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000787901282 1077004571 /nfs/dbraw/zinc/00/45/71/1077004571.db2.gz BMMGHQJRHBGLHH-CEXWTWQISA-N 1 0 421.607 2.933 20 0 HFADRO COc1ccccc1NC(=O)Cc1nc(COC(=O)[C@H](C(C)C)[NH+](C)C)cs1 ZINC000787964659 1077010708 /nfs/dbraw/zinc/01/07/08/1077010708.db2.gz BKARWCPHMKICCT-IBGZPJMESA-N 1 0 405.520 2.962 20 0 HFADRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 ZINC000746719530 1077014046 /nfs/dbraw/zinc/01/40/46/1077014046.db2.gz MQEBQCVVSUQJJZ-UHFFFAOYSA-N 1 0 423.583 2.791 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)C1 ZINC000746718645 1077016019 /nfs/dbraw/zinc/01/60/19/1077016019.db2.gz SHLKJTYNMQPVAG-NRFANRHFSA-N 1 0 412.534 2.861 20 0 HFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000787995975 1077023094 /nfs/dbraw/zinc/02/30/94/1077023094.db2.gz PFIGDOWCBGOJKB-MJGOQNOKSA-N 1 0 408.502 2.690 20 0 HFADRO CCCC(=O)Nc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000788018023 1077030344 /nfs/dbraw/zinc/03/03/44/1077030344.db2.gz YJJDWRDHUTTZGA-UHFFFAOYSA-N 1 0 424.545 2.762 20 0 HFADRO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCCC[NH+]3CCCC3)CC2)cc1 ZINC000787983587 1077031799 /nfs/dbraw/zinc/03/17/99/1077031799.db2.gz SMLUMBGQAWKPRM-UHFFFAOYSA-N 1 0 424.563 2.515 20 0 HFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NOCc1cccnc1 ZINC000746725433 1077032056 /nfs/dbraw/zinc/03/20/56/1077032056.db2.gz JATWTYPJEBVFSD-UHFFFAOYSA-N 1 0 403.914 2.678 20 0 HFADRO CCOCN(C(=O)CN1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(C)cccc1CC ZINC000788023040 1077033734 /nfs/dbraw/zinc/03/37/34/1077033734.db2.gz RZXGQODQSYTORJ-FQEVSTJZSA-N 1 0 403.567 2.539 20 0 HFADRO O=C(CC1CCC2(CC1)OCCO2)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000788147433 1077064778 /nfs/dbraw/zinc/06/47/78/1077064778.db2.gz MISIYYDDSOSBSM-UHFFFAOYSA-N 1 0 415.578 2.634 20 0 HFADRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cnc1Br ZINC000788169102 1077073760 /nfs/dbraw/zinc/07/37/60/1077073760.db2.gz HRZGIVDBVPWZCV-UHFFFAOYSA-N 1 0 405.296 2.642 20 0 HFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000788204110 1077078882 /nfs/dbraw/zinc/07/88/82/1077078882.db2.gz DRWNMBZECYCKQH-HXUWFJFHSA-N 1 0 408.905 2.561 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)C1 ZINC000746734489 1077080110 /nfs/dbraw/zinc/08/01/10/1077080110.db2.gz YVCDFIRVCZRQPQ-SFHVURJKSA-N 1 0 404.511 2.916 20 0 HFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788247764 1077086357 /nfs/dbraw/zinc/08/63/57/1077086357.db2.gz IPRUIOHYVQCWBU-QYZOEREBSA-N 1 0 410.603 2.745 20 0 HFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Br)ncc1Cl ZINC000788310170 1077115849 /nfs/dbraw/zinc/11/58/49/1077115849.db2.gz VLDLWGVWGSWXCV-AWEZNQCLSA-N 1 0 424.726 2.994 20 0 HFADRO CC(C)(C)SCCNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000788379516 1077135656 /nfs/dbraw/zinc/13/56/56/1077135656.db2.gz LXCMYIZZQCTQAI-YQQQUEKLSA-N 1 0 403.592 2.946 20 0 HFADRO COC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c(OC)c1 ZINC000788421978 1077140324 /nfs/dbraw/zinc/14/03/24/1077140324.db2.gz MGEYPNCWNKHQMX-XYOKQWHBSA-N 1 0 405.472 2.711 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+]CCc2nnc3n2CCCCC3)C2CC2)C1 ZINC000788430243 1077144496 /nfs/dbraw/zinc/14/44/96/1077144496.db2.gz NXBAYKHINSQTJF-FXAWDEMLSA-N 1 0 419.570 2.551 20 0 HFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000788436212 1077145845 /nfs/dbraw/zinc/14/58/45/1077145845.db2.gz KIXSWTZYZWTJCM-ZWKOTPCHSA-N 1 0 421.538 2.712 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)[C@@H](C)C2)cc1C ZINC000788458965 1077165812 /nfs/dbraw/zinc/16/58/12/1077165812.db2.gz HNGZILMHKFMWME-FQEVSTJZSA-N 1 0 422.573 2.719 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)[C@H](C)C2)cc1C ZINC000788458987 1077166113 /nfs/dbraw/zinc/16/61/13/1077166113.db2.gz HNGZILMHKFMWME-HXUWFJFHSA-N 1 0 422.573 2.719 20 0 HFADRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476650 1077172555 /nfs/dbraw/zinc/17/25/55/1077172555.db2.gz SEDSHPBPJOEMHE-MOPGFXCFSA-N 1 0 410.603 2.556 20 0 HFADRO CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788480617 1077174543 /nfs/dbraw/zinc/17/45/43/1077174543.db2.gz BNQGAFPSDNUDQA-QFIPXVFZSA-N 1 0 416.610 2.993 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000788504608 1077185233 /nfs/dbraw/zinc/18/52/33/1077185233.db2.gz CQYKDKJACCEGIZ-CRAIPNDOSA-N 1 0 411.568 2.502 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000788505814 1077185460 /nfs/dbraw/zinc/18/54/60/1077185460.db2.gz UFZFWRTVEIIPSN-AABGKKOBSA-N 1 0 417.550 2.792 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000788509564 1077186695 /nfs/dbraw/zinc/18/66/95/1077186695.db2.gz YWIKDWWKLNFBIT-DLBZAZTESA-N 1 0 422.570 2.866 20 0 HFADRO COc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cnc1Br ZINC000788510588 1077186976 /nfs/dbraw/zinc/18/69/76/1077186976.db2.gz GXUJIIUKCBXNSR-UHFFFAOYSA-N 1 0 412.328 2.618 20 0 HFADRO COc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cnc1Br ZINC000788516090 1077188470 /nfs/dbraw/zinc/18/84/70/1077188470.db2.gz AHGWZCZTVGRYIY-HNNXBMFYSA-N 1 0 412.328 2.570 20 0 HFADRO CNC(=O)Cn1ccc2ccc(NC(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)cc21 ZINC000788531811 1077204794 /nfs/dbraw/zinc/20/47/94/1077204794.db2.gz DAHLIWXALVBRCU-WDZFZDKYSA-N 1 0 420.513 2.980 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)C2)C1 ZINC000788600401 1077219233 /nfs/dbraw/zinc/21/92/33/1077219233.db2.gz CLHNOUBVGWHJQI-CTNGQTDRSA-N 1 0 415.578 2.859 20 0 HFADRO CCCC[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788650273 1077225077 /nfs/dbraw/zinc/22/50/77/1077225077.db2.gz PONSGGXCWDOZTJ-SFTDATJTSA-N 1 0 424.545 2.959 20 0 HFADRO O=C([C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)Cc1cccc(F)c1)N1CCOCC1 ZINC000788615762 1077229274 /nfs/dbraw/zinc/22/92/74/1077229274.db2.gz YVGIGRLILHZNEY-NBYUQASBSA-N 1 0 424.607 2.812 20 0 HFADRO Cc1ccc(S(=O)(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c(Cl)n1 ZINC000788622566 1077232815 /nfs/dbraw/zinc/23/28/15/1077232815.db2.gz RLUOXWUPMQXVEY-UHFFFAOYSA-N 1 0 409.939 2.997 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000790924802 1077234477 /nfs/dbraw/zinc/23/44/77/1077234477.db2.gz BOVQEAUPMWUALK-FQEVSTJZSA-N 1 0 419.472 2.971 20 0 HFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[C@H](O)c1c(F)cccc1Cl ZINC000788637699 1077242207 /nfs/dbraw/zinc/24/22/07/1077242207.db2.gz HQJNQNSEIUHIFM-XIKOKIGWSA-N 1 0 400.903 2.941 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000788640062 1077242788 /nfs/dbraw/zinc/24/27/88/1077242788.db2.gz BDIURZLCNAUCBE-DGQTTZFYSA-N 1 0 424.545 2.815 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000788642177 1077244161 /nfs/dbraw/zinc/24/41/61/1077244161.db2.gz YMZJCZYACKZAQF-IBGZPJMESA-N 1 0 403.523 2.877 20 0 HFADRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000788688352 1077251128 /nfs/dbraw/zinc/25/11/28/1077251128.db2.gz SKQUQLGUCPQFKN-MRXNPFEDSA-N 1 0 405.442 2.870 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000788687660 1077251436 /nfs/dbraw/zinc/25/14/36/1077251436.db2.gz RNNMCEANRBULBC-WFASDCNBSA-N 1 0 414.344 2.892 20 0 HFADRO CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788688652 1077251535 /nfs/dbraw/zinc/25/15/35/1077251535.db2.gz CVAKHLMABUXAFZ-QFIPXVFZSA-N 1 0 408.546 2.951 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000790948310 1077251952 /nfs/dbraw/zinc/25/19/52/1077251952.db2.gz WMYFZQGDGXAEQG-GHTZIAJQSA-N 1 0 414.594 2.797 20 0 HFADRO CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788691597 1077252980 /nfs/dbraw/zinc/25/29/80/1077252980.db2.gz ZDDYLGXSCFSTLR-LEWJYISDSA-N 1 0 412.509 2.871 20 0 HFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3=NO[C@@H](CNC(=O)OC(C)(C)C)C3)C2)CC1 ZINC000788656422 1077254549 /nfs/dbraw/zinc/25/45/49/1077254549.db2.gz PIXMIEVFYGCGFP-ZWKOTPCHSA-N 1 0 422.570 2.627 20 0 HFADRO CS(=O)(=O)CCN1CCC([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000790960860 1077255458 /nfs/dbraw/zinc/25/54/58/1077255458.db2.gz JAPVPKGATCMSRA-UHFFFAOYSA-N 1 0 415.806 2.763 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1Cl ZINC000788658637 1077256239 /nfs/dbraw/zinc/25/62/39/1077256239.db2.gz BLTHASRBLNQTKV-CYBMUJFWSA-N 1 0 420.984 2.849 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3nc(Cl)nc4c3CNC4)nc3ccc(C)cc3n12 ZINC001170146459 1077258048 /nfs/dbraw/zinc/25/80/48/1077258048.db2.gz NORMETPDPUYALB-UHFFFAOYSA-N 1 0 408.897 2.643 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000790967872 1077258323 /nfs/dbraw/zinc/25/83/23/1077258323.db2.gz KOQZUSJPVGHEMD-LBPRGKRZSA-N 1 0 417.735 2.673 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788663817 1077259202 /nfs/dbraw/zinc/25/92/02/1077259202.db2.gz XLRJZTNNAROWDH-HOTGVXAUSA-N 1 0 410.559 2.673 20 0 HFADRO CCNC(=O)COc1cccc(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC000788665465 1077259890 /nfs/dbraw/zinc/25/98/90/1077259890.db2.gz NVLGVGGRLMAUPL-UHFFFAOYSA-N 1 0 403.523 2.691 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000746956299 1077264552 /nfs/dbraw/zinc/26/45/52/1077264552.db2.gz ZJGOTSMCGMSCSO-UHFFFAOYSA-N 1 0 411.502 2.806 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cn(C4CCC4)c(=O)cn3)nc3ccc(C)cc3n12 ZINC001170147200 1077264659 /nfs/dbraw/zinc/26/46/59/1077264659.db2.gz ARCXSQPVCAZZND-UHFFFAOYSA-N 1 0 403.490 2.878 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000788716650 1077269840 /nfs/dbraw/zinc/26/98/40/1077269840.db2.gz GGCPIAZFBGUUEX-OAQYLSRUSA-N 1 0 400.567 2.941 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000746758871 1077270635 /nfs/dbraw/zinc/27/06/35/1077270635.db2.gz ZJHZXELOYRPCJT-PXNSSMCTSA-N 1 0 418.538 2.847 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000791031698 1077276787 /nfs/dbraw/zinc/27/67/87/1077276787.db2.gz NZGWNDUVACEDJL-NSHDSACASA-N 1 0 402.720 2.823 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000788755983 1077277719 /nfs/dbraw/zinc/27/77/19/1077277719.db2.gz UIZGFBCUFMKMFK-ZCGYKAAXSA-N 1 0 406.324 2.814 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000788735473 1077285148 /nfs/dbraw/zinc/28/51/48/1077285148.db2.gz BKYLBRVWWANKPD-SJLPKXTDSA-N 1 0 417.616 2.673 20 0 HFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(OCCOC(C)C)c1 ZINC000788742250 1077286586 /nfs/dbraw/zinc/28/65/86/1077286586.db2.gz NIAWKGROPRWUKI-FQEVSTJZSA-N 1 0 420.550 2.872 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000788742460 1077286633 /nfs/dbraw/zinc/28/66/33/1077286633.db2.gz WKFSSMNDBONYNR-LJQANCHMSA-N 1 0 423.579 2.691 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000791064050 1077287274 /nfs/dbraw/zinc/28/72/74/1077287274.db2.gz ZQTLZIBNBOGCTF-KRWDZBQOSA-N 1 0 422.570 2.769 20 0 HFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788793724 1077289978 /nfs/dbraw/zinc/28/99/78/1077289978.db2.gz DBUYTMXIRLAJBV-ZBFHGGJFSA-N 1 0 409.452 2.622 20 0 HFADRO O=C(NC[C@H]1CCN(c2ccccc2)C1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000788812311 1077295220 /nfs/dbraw/zinc/29/52/20/1077295220.db2.gz CCWRWCDNDAQLHW-VRKFHHGPSA-N 1 0 412.578 2.542 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777737 1077298541 /nfs/dbraw/zinc/29/85/41/1077298541.db2.gz LORQLLKQQVDNQV-ARFHVFGLSA-N 1 0 413.349 2.735 20 0 HFADRO CC(C)(NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000788777634 1077298767 /nfs/dbraw/zinc/29/87/67/1077298767.db2.gz KWJZDYZESQBGSI-GOEBONIOSA-N 1 0 401.429 2.983 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H](O)c2cc(C)cc(C)c2)CCN1C(=O)OC(C)(C)C ZINC000788821633 1077309564 /nfs/dbraw/zinc/30/95/64/1077309564.db2.gz YCEUBAUWQFIYTH-OTWHNJEPSA-N 1 0 406.523 2.868 20 0 HFADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CN2CCC([NH2+]C(C)C)CC2)cnn1C ZINC000788844091 1077317885 /nfs/dbraw/zinc/31/78/85/1077317885.db2.gz UWBBHUNBIYPJAJ-SFHVURJKSA-N 1 0 407.603 2.874 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000746773991 1077347589 /nfs/dbraw/zinc/34/75/89/1077347589.db2.gz XUVFSDWSKZDFQA-SFTDATJTSA-N 1 0 416.566 2.633 20 0 HFADRO Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[NH+](C)C ZINC000788914588 1077351873 /nfs/dbraw/zinc/35/18/73/1077351873.db2.gz CYLOSRUOWCNCOS-OXQOHEQNSA-N 1 0 417.531 2.921 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@H](C)c3cccc(S(N)(=O)=O)c3)C2=O)c(C)c1 ZINC000788984720 1077373969 /nfs/dbraw/zinc/37/39/69/1077373969.db2.gz SVMIZVDOIANTNS-VQIMIIECSA-N 1 0 401.532 2.715 20 0 HFADRO CCO[C@H]1C[C@](O)(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1(C)C ZINC000789002859 1077378600 /nfs/dbraw/zinc/37/86/00/1077378600.db2.gz HKLYAKRBGOTVID-UGKGYDQZSA-N 1 0 404.555 2.516 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1N1CCOC1=O ZINC000746781898 1077382392 /nfs/dbraw/zinc/38/23/92/1077382392.db2.gz NVHQFCDNGKJQDW-QGZVFWFLSA-N 1 0 416.522 2.661 20 0 HFADRO C[C@@H](OC(=O)c1c[nH]nc1-c1ccoc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000789077358 1077398460 /nfs/dbraw/zinc/39/84/60/1077398460.db2.gz NZTXOVUWKTTYOM-MRXNPFEDSA-N 1 0 422.485 2.996 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CCSC1 ZINC000789052451 1077402421 /nfs/dbraw/zinc/40/24/21/1077402421.db2.gz LFZTTYJJGFJKOJ-IBGZPJMESA-N 1 0 412.987 2.973 20 0 HFADRO CC(C)[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H](O)c1ccccc1 ZINC000789174583 1077443861 /nfs/dbraw/zinc/44/38/61/1077443861.db2.gz HCNFDFIPKIZNAU-XPWALMASSA-N 1 0 411.546 2.811 20 0 HFADRO C[C@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791475959 1077446678 /nfs/dbraw/zinc/44/66/78/1077446678.db2.gz RMHMQCGUMWLZRD-BBRMVZONSA-N 1 0 419.884 2.997 20 0 HFADRO COc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c(OCC(C)C)c1 ZINC000789224616 1077450488 /nfs/dbraw/zinc/45/04/88/1077450488.db2.gz KQAMUZZADJZLDV-UHFFFAOYSA-N 1 0 404.507 2.630 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nc(Br)ccc2F)[C@@H](C)C1 ZINC000791595753 1077497285 /nfs/dbraw/zinc/49/72/85/1077497285.db2.gz XWWNCPWFRMWYAN-GXTWGEPZSA-N 1 0 402.308 2.850 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nc(Br)ccc2F)[C@H](C)C1 ZINC000791595767 1077497334 /nfs/dbraw/zinc/49/73/34/1077497334.db2.gz XWWNCPWFRMWYAN-TZMCWYRMSA-N 1 0 402.308 2.850 20 0 HFADRO O=C(N[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001086600192 1077505572 /nfs/dbraw/zinc/50/55/72/1077505572.db2.gz FXFZIJGJPOFMMO-CSGHFTSRSA-N 1 0 409.555 2.693 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2C(=O)OCc2ccccc2)CC1 ZINC000791642509 1077506889 /nfs/dbraw/zinc/50/68/89/1077506889.db2.gz OVYCJPYWRDWEBP-OAQYLSRUSA-N 1 0 401.551 2.573 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000789307549 1077508110 /nfs/dbraw/zinc/50/81/10/1077508110.db2.gz WUKPBVSISPIOME-JOCHJYFZSA-N 1 0 420.509 2.943 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cn3)C2)c1 ZINC000791648222 1077510786 /nfs/dbraw/zinc/51/07/86/1077510786.db2.gz RNCMVHBRTBKVQJ-NRFANRHFSA-N 1 0 423.517 2.752 20 0 HFADRO Cn1cc(N2CCC[C@H]([NH+]3CCC(COc4ccc(Cl)nc4)CC3)C2=O)cn1 ZINC000789316071 1077511556 /nfs/dbraw/zinc/51/15/56/1077511556.db2.gz WUBTVWQCWNVHMR-SFHVURJKSA-N 1 0 403.914 2.755 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=S)NCC(C)(C)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000789349834 1077512233 /nfs/dbraw/zinc/51/22/33/1077512233.db2.gz REAVWMPNYJGLQY-GJZGRUSLSA-N 1 0 404.596 2.728 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000791711051 1077522742 /nfs/dbraw/zinc/52/27/42/1077522742.db2.gz OZAWCHXILJJIST-INIZCTEOSA-N 1 0 405.543 2.863 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000791674362 1077524898 /nfs/dbraw/zinc/52/48/98/1077524898.db2.gz HJFQNXYQMSNLAA-SFHVURJKSA-N 1 0 407.580 2.702 20 0 HFADRO Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000789391996 1077534661 /nfs/dbraw/zinc/53/46/61/1077534661.db2.gz FNJZCDMHHKYAPZ-UHFFFAOYSA-O 1 0 410.479 2.506 20 0 HFADRO COc1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc2c1O[C@@H](C)C2 ZINC000746805736 1077539152 /nfs/dbraw/zinc/53/91/52/1077539152.db2.gz DOCMPMQUMRUVFI-ZDUSSCGKSA-N 1 0 411.458 2.740 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000791735890 1077544523 /nfs/dbraw/zinc/54/45/23/1077544523.db2.gz ZWWZKDUNIJXGFJ-OYRHEFFESA-N 1 0 417.594 2.869 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000746806164 1077556212 /nfs/dbraw/zinc/55/62/12/1077556212.db2.gz CMIKQEPMGCZNKO-HXUWFJFHSA-N 1 0 424.501 2.926 20 0 HFADRO CCc1cccc[n+]1C(C(=O)c1cnn(C)n1)C(=S)NCCc1ccc(F)cc1 ZINC000789425447 1077556632 /nfs/dbraw/zinc/55/66/32/1077556632.db2.gz VCODRPKCVLXCOT-UHFFFAOYSA-O 1 0 412.514 2.848 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2cn(C)nc2-c2ccoc2)cc1 ZINC000789431091 1077557831 /nfs/dbraw/zinc/55/78/31/1077557831.db2.gz DUGSHPYTFGKJTR-UHFFFAOYSA-N 1 0 410.474 2.971 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000746808364 1077566092 /nfs/dbraw/zinc/56/60/92/1077566092.db2.gz SWYJOKFZWBDKMF-HXUWFJFHSA-N 1 0 424.501 2.926 20 0 HFADRO CC(=O)[C@H]1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828717 1077576817 /nfs/dbraw/zinc/57/68/17/1077576817.db2.gz OVAKAEZJDAJISY-NZQKXSOJSA-N 1 0 404.514 2.849 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000791834290 1077578314 /nfs/dbraw/zinc/57/83/14/1077578314.db2.gz GIBPOCSKDFRXHV-CQSZACIVSA-N 1 0 421.542 2.614 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000746815249 1077580081 /nfs/dbraw/zinc/58/00/81/1077580081.db2.gz YOJKBXHDOFMJMJ-OAHLLOKOSA-N 1 0 415.506 2.899 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814714 1077582272 /nfs/dbraw/zinc/58/22/72/1077582272.db2.gz CGUISMANAIEWOP-VXKWHMMOSA-N 1 0 409.530 2.904 20 0 HFADRO CS(=O)(=O)c1cccc(C(=O)COC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000791901602 1077590262 /nfs/dbraw/zinc/59/02/62/1077590262.db2.gz JPXZGFPPODKTHD-IBGZPJMESA-N 1 0 415.511 2.728 20 0 HFADRO COC(=O)C1=C(C[N@@H+]2CCC[C@]2(CO)CC(C)C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000789504091 1077598504 /nfs/dbraw/zinc/59/85/04/1077598504.db2.gz LTZBCUAOBIAHNG-NZQKXSOJSA-N 1 0 415.534 2.683 20 0 HFADRO CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1Cl ZINC000791939575 1077599793 /nfs/dbraw/zinc/59/97/93/1077599793.db2.gz OLYQAHFNBXVNLU-HDICACEKSA-N 1 0 418.946 2.948 20 0 HFADRO CN(CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OCc1ccccc1 ZINC000791938833 1077600089 /nfs/dbraw/zinc/60/00/89/1077600089.db2.gz IATWWMJOBXTHBO-SZPZYZBQSA-N 1 0 407.514 2.845 20 0 HFADRO CCOC(=O)C1C(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)=NC(=O)N[C@H]1c1ccccc1 ZINC000789507609 1077601278 /nfs/dbraw/zinc/60/12/78/1077601278.db2.gz SRBUINVXDTWIQA-REWPJTCUSA-N 1 0 415.534 2.731 20 0 HFADRO CCOC(=O)C1C(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000789507607 1077601345 /nfs/dbraw/zinc/60/13/45/1077601345.db2.gz SRBUINVXDTWIQA-OFNKIYASSA-N 1 0 415.534 2.731 20 0 HFADRO CCN1CCN(c2ccc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)cc2F)CC1 ZINC000791941182 1077601394 /nfs/dbraw/zinc/60/13/94/1077601394.db2.gz YZXQQEQLXPPVAI-UHFFFAOYSA-N 1 0 420.573 2.541 20 0 HFADRO CC[NH+](CC)[C@H](C)CNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000791917448 1077610111 /nfs/dbraw/zinc/61/01/11/1077610111.db2.gz SPHABKIFUVEROO-BBLCHGJFSA-N 1 0 407.580 2.546 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000791982130 1077621944 /nfs/dbraw/zinc/62/19/44/1077621944.db2.gz PSOJIINKLOYYJJ-QRFRQXIXSA-N 1 0 405.498 2.943 20 0 HFADRO Cc1csc([C@@](O)(CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C(F)(F)F)n1 ZINC000746832336 1077649929 /nfs/dbraw/zinc/64/99/29/1077649929.db2.gz CNYOEDNPWYRIEV-QAPCUYQASA-N 1 0 415.481 2.881 20 0 HFADRO C[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)NC(=O)OC(C)(C)C ZINC000792030711 1077657861 /nfs/dbraw/zinc/65/78/61/1077657861.db2.gz NLDWKCVLEMMETH-OAHLLOKOSA-N 1 0 400.589 2.560 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)C2)c1 ZINC000792028974 1077657889 /nfs/dbraw/zinc/65/78/89/1077657889.db2.gz SYRQGSWYSPKYMA-TZIWHRDSSA-N 1 0 415.465 2.755 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000792057242 1077663449 /nfs/dbraw/zinc/66/34/49/1077663449.db2.gz NWBPGYMDFAVQER-KKSFZXQISA-N 1 0 403.523 2.968 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCC[NH+]3CCC(C)CC3)C2)c1 ZINC000792057135 1077663585 /nfs/dbraw/zinc/66/35/85/1077663585.db2.gz MPRMKAKIVOYCAN-NRFANRHFSA-N 1 0 403.523 2.825 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000792066725 1077673848 /nfs/dbraw/zinc/67/38/48/1077673848.db2.gz QYTNEDQCSZNZQD-IBGZPJMESA-N 1 0 405.514 2.988 20 0 HFADRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792036822 1077687597 /nfs/dbraw/zinc/68/75/97/1077687597.db2.gz YCWLVLUETXIEOU-IYBDPMFKSA-N 1 0 406.527 2.587 20 0 HFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000792117756 1077703515 /nfs/dbraw/zinc/70/35/15/1077703515.db2.gz DNETVLHCNRPEOI-KBPBESRZSA-N 1 0 413.335 2.614 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000772741560 1077706282 /nfs/dbraw/zinc/70/62/82/1077706282.db2.gz INVUEBKDMJIECW-OAQYLSRUSA-N 1 0 414.550 2.727 20 0 HFADRO CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000746839923 1077708903 /nfs/dbraw/zinc/70/89/03/1077708903.db2.gz LLFCGNUIIXMFKK-UHFFFAOYSA-N 1 0 409.571 2.785 20 0 HFADRO COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=[NH2+])NOCC(=O)NC(C)(C)C)cc1 ZINC000789631193 1077710774 /nfs/dbraw/zinc/71/07/74/1077710774.db2.gz DWKPJHXAQJEWIL-INIZCTEOSA-N 1 0 408.499 2.674 20 0 HFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000746843316 1077717682 /nfs/dbraw/zinc/71/76/82/1077717682.db2.gz XULMPKWGGVVNRR-OALUTQOASA-N 1 0 422.614 2.841 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C2)c1 ZINC000792132255 1077717607 /nfs/dbraw/zinc/71/76/07/1077717607.db2.gz KCFCMPFRCZSSAB-HRAATJIYSA-N 1 0 401.507 2.674 20 0 HFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000792149732 1077723261 /nfs/dbraw/zinc/72/32/61/1077723261.db2.gz ZSOWZKLNBHVPDO-UHFFFAOYSA-N 1 0 413.522 2.957 20 0 HFADRO C[C@H](C[C@H](O)c1cccs1)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000789685781 1077726865 /nfs/dbraw/zinc/72/68/65/1077726865.db2.gz PHWCUPDVYPBHLI-XYPHTWIQSA-N 1 0 417.531 2.700 20 0 HFADRO CCCC[N@H+](C)CC1CCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792170003 1077733319 /nfs/dbraw/zinc/73/33/19/1077733319.db2.gz BCFLPVIYNNKQBP-UHFFFAOYSA-N 1 0 424.630 2.900 20 0 HFADRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)no1 ZINC000792187889 1077738253 /nfs/dbraw/zinc/73/82/53/1077738253.db2.gz UDKSJSOZELMJOM-UHFFFAOYSA-N 1 0 422.485 2.989 20 0 HFADRO C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792194197 1077740435 /nfs/dbraw/zinc/74/04/35/1077740435.db2.gz PBBHEZPJCWPQKB-YTQUADARSA-N 1 0 402.539 2.673 20 0 HFADRO Cc1cc(NC(=O)C(=O)N[C@H](C)Cc2ccco2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792201285 1077743976 /nfs/dbraw/zinc/74/39/76/1077743976.db2.gz ATZVGVBFCFTTLM-GOSISDBHSA-N 1 0 412.534 2.804 20 0 HFADRO COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000792233605 1077756531 /nfs/dbraw/zinc/75/65/31/1077756531.db2.gz PHXBLWTTXGKPOM-NQIIRXRSSA-N 1 0 413.518 2.559 20 0 HFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792244304 1077762860 /nfs/dbraw/zinc/76/28/60/1077762860.db2.gz WWWPPSIXAMNTMZ-HIFRSBDPSA-N 1 0 422.323 2.980 20 0 HFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792244309 1077762892 /nfs/dbraw/zinc/76/28/92/1077762892.db2.gz WWWPPSIXAMNTMZ-ZFWWWQNUSA-N 1 0 422.323 2.980 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(C[NH+]4CCC(O)CC4)cc3)C2)c1 ZINC000792284592 1077775052 /nfs/dbraw/zinc/77/50/52/1077775052.db2.gz NLFHDIYRMJKGLQ-JOCHJYFZSA-N 1 0 409.486 2.784 20 0 HFADRO CCC[C@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC[N@@H+]1CCOC ZINC000792290814 1077777391 /nfs/dbraw/zinc/77/73/91/1077777391.db2.gz SLUPYEPPAHFNGK-IBGZPJMESA-N 1 0 420.554 2.930 20 0 HFADRO O=C(COC(=O)c1cnc2n1CCCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000792257281 1077782953 /nfs/dbraw/zinc/78/29/53/1077782953.db2.gz CCWRCBWEMSYOKR-UHFFFAOYSA-N 1 0 414.531 2.564 20 0 HFADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC001170120233 1077800076 /nfs/dbraw/zinc/80/00/76/1077800076.db2.gz ZMHKZKKDGKNKLQ-ZWKOTPCHSA-N 1 0 413.609 2.919 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3cccc4c3CC[N@H+](CC(C)(C)O)C4)C2)c1 ZINC000792315482 1077804069 /nfs/dbraw/zinc/80/40/69/1077804069.db2.gz AOUTVUASFHRZBW-QFIPXVFZSA-N 1 0 423.513 2.956 20 0 HFADRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789840228 1077816620 /nfs/dbraw/zinc/81/66/20/1077816620.db2.gz LXKPGCLUYBXBDR-QGZVFWFLSA-N 1 0 423.989 2.561 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000792367363 1077818200 /nfs/dbraw/zinc/81/82/00/1077818200.db2.gz UBJDSLWUZQVWSA-OAHLLOKOSA-N 1 0 406.408 2.677 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000792369052 1077818308 /nfs/dbraw/zinc/81/83/08/1077818308.db2.gz PZUQLVGBSTUUJV-GOSISDBHSA-N 1 0 421.476 2.588 20 0 HFADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792369810 1077818499 /nfs/dbraw/zinc/81/84/99/1077818499.db2.gz VGLONIPPZDOYAF-GOSISDBHSA-N 1 0 424.501 2.832 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339464 1077825883 /nfs/dbraw/zinc/82/58/83/1077825883.db2.gz ABQATRJWFUXQRW-ROUUACIJSA-N 1 0 413.905 2.925 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2cc(Br)nn2C)cc1 ZINC000789878846 1077833500 /nfs/dbraw/zinc/83/35/00/1077833500.db2.gz OZHOCPDFSWIVPS-UHFFFAOYSA-N 1 0 408.344 2.866 20 0 HFADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3nc(Br)ccc3O)c2)CC1 ZINC000789923394 1077848858 /nfs/dbraw/zinc/84/88/58/1077848858.db2.gz UUMBMKJBGHQYQK-UHFFFAOYSA-N 1 0 405.296 2.549 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1nc(Br)cs1 ZINC000792424254 1077850942 /nfs/dbraw/zinc/85/09/42/1077850942.db2.gz MXJCDHWSNXVQQC-ZIAGYGMSSA-N 1 0 410.337 2.518 20 0 HFADRO O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000746863338 1077854221 /nfs/dbraw/zinc/85/42/21/1077854221.db2.gz AVCWHPPYVIMLRG-QFIPXVFZSA-N 1 0 422.558 2.985 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000792495684 1077867308 /nfs/dbraw/zinc/86/73/08/1077867308.db2.gz NSIJWJROKCEROY-QWUACUGRSA-N 1 0 419.529 2.957 20 0 HFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CCCO1 ZINC000792485147 1077877783 /nfs/dbraw/zinc/87/77/83/1077877783.db2.gz LKHIYYLUZCMTEA-MRXNPFEDSA-N 1 0 406.527 2.588 20 0 HFADRO CC(C)C[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000789975062 1077878846 /nfs/dbraw/zinc/87/88/46/1077878846.db2.gz PAAFAYOSGOSWOV-OYRHEFFESA-N 1 0 424.545 2.815 20 0 HFADRO COc1cc(-c2nnc(COC(=O)c3ccc4c[nH+]cn4c3)o2)cc(OC)c1OC ZINC000792548794 1077899378 /nfs/dbraw/zinc/89/93/78/1077899378.db2.gz FEBQTYKTGNGEQM-UHFFFAOYSA-N 1 0 410.386 2.767 20 0 HFADRO CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792549748 1077900017 /nfs/dbraw/zinc/90/00/17/1077900017.db2.gz NPISYEVNTKJKAH-UHFFFAOYSA-N 1 0 401.444 2.930 20 0 HFADRO Cn1nccc(N(CCCC[NH3+])S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1=O ZINC001170179686 1077901714 /nfs/dbraw/zinc/90/17/14/1077901714.db2.gz AZZBOOWCIZHMOI-UHFFFAOYSA-N 1 0 420.922 2.521 20 0 HFADRO O=C(CCNC(=O)OCC(F)(F)F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792556101 1077901960 /nfs/dbraw/zinc/90/19/60/1077901960.db2.gz TXWTUGQXOCHDNR-UHFFFAOYSA-N 1 0 419.366 2.587 20 0 HFADRO Cn1cc(N(CCCC[NH3+])S(=O)(=O)c2ccc3c(Cl)cccc3c2)cnc1=O ZINC001170180342 1077902432 /nfs/dbraw/zinc/90/24/32/1077902432.db2.gz MLTBGVNKZHUZTO-UHFFFAOYSA-N 1 0 420.922 2.521 20 0 HFADRO COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC001170182966 1077903430 /nfs/dbraw/zinc/90/34/30/1077903430.db2.gz BUSDZRZJZBVXMH-LJQANCHMSA-N 1 0 423.469 2.781 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790031975 1077904771 /nfs/dbraw/zinc/90/47/71/1077904771.db2.gz FSHIGRVMFSYYAQ-OAQYLSRUSA-N 1 0 414.594 2.716 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790034012 1077905832 /nfs/dbraw/zinc/90/58/32/1077905832.db2.gz XUZCMIBUKALDFP-UHFFFAOYSA-N 1 0 414.594 2.715 20 0 HFADRO COC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc3c[nH+]cn3c1)CCCC2 ZINC000792571107 1077909749 /nfs/dbraw/zinc/90/97/49/1077909749.db2.gz HZGKDIRKBLLDAO-UHFFFAOYSA-N 1 0 413.455 2.857 20 0 HFADRO O=C(C=CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc2n[nH]cc2c1 ZINC000792579102 1077915542 /nfs/dbraw/zinc/91/55/42/1077915542.db2.gz UEEAKRMCZKFJSE-CVBPSMBISA-N 1 0 415.497 2.648 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)C[NH2+][C@@H]3CC[C@@H](C)C3)ccc12 ZINC001170124848 1077918639 /nfs/dbraw/zinc/91/86/39/1077918639.db2.gz IFEODLQHAIIYAB-OGWOLHLISA-N 1 0 411.502 2.809 20 0 HFADRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2ccc(N)nc2)cc1 ZINC001170267695 1077922853 /nfs/dbraw/zinc/92/28/53/1077922853.db2.gz CLVGOLYYDISNEE-UHFFFAOYSA-N 1 0 413.478 2.943 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(Cl)nc3ncn(Cc4ccccc4)c32)O1 ZINC001170270614 1077924102 /nfs/dbraw/zinc/92/41/02/1077924102.db2.gz LMFPEFRPYLMUBI-SPYBWZPUSA-N 1 0 416.913 2.665 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(-c3nnc(-c4ccno4)o3)cc(Cl)n2)O1 ZINC001170271579 1077924626 /nfs/dbraw/zinc/92/46/26/1077924626.db2.gz CITNEFMHRWAJGV-VFVRVIDISA-N 1 0 420.857 2.577 20 0 HFADRO C[C@](CO)([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC001170273398 1077925904 /nfs/dbraw/zinc/92/59/04/1077925904.db2.gz OLDMORMOHKLBTM-CQSZACIVSA-N 1 0 416.227 2.569 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[NH+]1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001170275506 1077926476 /nfs/dbraw/zinc/92/64/76/1077926476.db2.gz WSDOBYLTSXPTIM-SFHVURJKSA-N 1 0 407.986 2.774 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@H+]1Cc2ccnn2C[C@@H](COCC(=O)N(C)C)C1 ZINC001170275965 1077926794 /nfs/dbraw/zinc/92/67/94/1077926794.db2.gz KSABKSMAJBYMBN-IRXDYDNUSA-N 1 0 404.942 2.704 20 0 HFADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000790048576 1077928376 /nfs/dbraw/zinc/92/83/76/1077928376.db2.gz IPMWKRAMCJZKQG-VQTJNVASSA-N 1 0 400.544 2.964 20 0 HFADRO COCC[C@H]([NH2+]CC(=O)NCC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001170300633 1077931747 /nfs/dbraw/zinc/93/17/47/1077931747.db2.gz UPHVGNVTAUOEMB-HNNXBMFYSA-N 1 0 404.429 2.831 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052766 1077931714 /nfs/dbraw/zinc/93/17/14/1077931714.db2.gz KYIQFEPUSAUEHE-NRFANRHFSA-N 1 0 414.594 2.572 20 0 HFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)C(C)(C)C ZINC000790052707 1077932171 /nfs/dbraw/zinc/93/21/71/1077932171.db2.gz JZFJHBWXIZGRJG-OAQYLSRUSA-N 1 0 416.610 2.818 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)C1 ZINC001170280831 1077936572 /nfs/dbraw/zinc/93/65/72/1077936572.db2.gz SOBZCAFAOXGTOL-ARFHVFGLSA-N 1 0 419.488 2.976 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001170283496 1077937366 /nfs/dbraw/zinc/93/73/66/1077937366.db2.gz MDKVIPHMGFKWBT-LMFCIFFHSA-N 1 0 402.926 2.666 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@@H+]2CC[C@@H](O)C23CCCC3)C1 ZINC001206047597 1077948533 /nfs/dbraw/zinc/94/85/33/1077948533.db2.gz JSLMHLVYOMDSOB-FUHWJXTLSA-N 1 0 405.543 2.730 20 0 HFADRO C[C@@H](CNC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[NH+]1CCCCC1 ZINC000746884154 1077956632 /nfs/dbraw/zinc/95/66/32/1077956632.db2.gz DQDAAIUXSAYKFZ-AWEZNQCLSA-N 1 0 402.520 2.634 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000790122711 1077957948 /nfs/dbraw/zinc/95/79/48/1077957948.db2.gz VJUDESJFBRRDIO-QFIPXVFZSA-N 1 0 414.525 2.883 20 0 HFADRO CN(C)C(=O)C1([NH2+]CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CCCCC1 ZINC001170375590 1077961859 /nfs/dbraw/zinc/96/18/59/1077961859.db2.gz HDXIBAWHGLBZBP-UHFFFAOYSA-N 1 0 415.456 2.625 20 0 HFADRO COc1ccc2c(c1)C[C@@H](Nc1ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc1)CC2 ZINC001170417813 1077964760 /nfs/dbraw/zinc/96/47/60/1077964760.db2.gz UFQJQJIYPMNPFG-FQEVSTJZSA-N 1 0 415.559 2.695 20 0 HFADRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC2(C)C)cc1S(=O)(=O)N(CC)CC ZINC001170399797 1077964852 /nfs/dbraw/zinc/96/48/52/1077964852.db2.gz NGUFRSPHMHTAAY-SFHVURJKSA-N 1 0 411.568 2.833 20 0 HFADRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)Nc2cccc(I)c2)C1(C)C ZINC001170400321 1077965014 /nfs/dbraw/zinc/96/50/14/1077965014.db2.gz SJDAPCWGMJPZOM-NZVBXONLSA-N 1 0 402.276 2.879 20 0 HFADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170412688 1077967075 /nfs/dbraw/zinc/96/70/75/1077967075.db2.gz SWICTAGDCCOLNQ-DLBZAZTESA-N 1 0 419.566 2.885 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000746887570 1077972921 /nfs/dbraw/zinc/97/29/21/1077972921.db2.gz RDXCKHBYPINBKA-CQSZACIVSA-N 1 0 424.501 2.780 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)Cc2ccc(Cl)cn2)CC1 ZINC000792716069 1077972982 /nfs/dbraw/zinc/97/29/82/1077972982.db2.gz DWQYNSWENCWNIR-UHFFFAOYSA-N 1 0 415.921 2.910 20 0 HFADRO C[C@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792721136 1077974487 /nfs/dbraw/zinc/97/44/87/1077974487.db2.gz KSLKGUKLGHVBAB-INIZCTEOSA-N 1 0 415.921 2.990 20 0 HFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2cnn(CC)c2)C1 ZINC000790241286 1077974976 /nfs/dbraw/zinc/97/49/76/1077974976.db2.gz QVBFVRYWKLOPRX-RBBKRZOGSA-N 1 0 413.566 2.880 20 0 HFADRO Cc1ccc(CCC(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000772818816 1077976410 /nfs/dbraw/zinc/97/64/10/1077976410.db2.gz JOPNZWCBJJOHHE-UHFFFAOYSA-N 1 0 423.351 2.976 20 0 HFADRO CC(=O)CCc1ccc(OCCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000746889710 1077988371 /nfs/dbraw/zinc/98/83/71/1077988371.db2.gz TYZOGMXQPYICHA-JOCHJYFZSA-N 1 0 402.535 2.737 20 0 HFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1nc(Br)ccc1Br ZINC000790318982 1077995673 /nfs/dbraw/zinc/99/56/73/1077995673.db2.gz OIEROZCTIXKPLS-QWRGUYRKSA-N 1 0 403.118 2.963 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1nc(Br)ccc1Br ZINC000790318979 1077995757 /nfs/dbraw/zinc/99/57/57/1077995757.db2.gz OIEROZCTIXKPLS-MNOVXSKESA-N 1 0 403.118 2.963 20 0 HFADRO O=C(NCCNc1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc(Cl)cn1 ZINC001170420209 1077998679 /nfs/dbraw/zinc/99/86/79/1077998679.db2.gz ANSFNFQTSCROHP-PZJWPPBQSA-N 1 0 400.910 2.597 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCN(c3cccc(C(F)(F)F)c3)CC1)C[NH+]1CCC2CC1 ZINC000790360396 1078004311 /nfs/dbraw/zinc/00/43/11/1078004311.db2.gz GRBKNCSAVUWUBA-HXUWFJFHSA-N 1 0 424.467 2.702 20 0 HFADRO CN(CCc1ccc(Br)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363719 1078005051 /nfs/dbraw/zinc/00/50/51/1078005051.db2.gz UYXVTDHKWWBEBJ-LJQANCHMSA-N 1 0 408.340 2.798 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(Br)ccc1Br ZINC000790344945 1078008101 /nfs/dbraw/zinc/00/81/01/1078008101.db2.gz YHZYEDVHVWWXJX-ZJUUUORDSA-N 1 0 403.118 2.963 20 0 HFADRO O=C1O[C@]2(CN1CN1CCn3c(cc4c3cccc4Cl)C1)C[NH+]1CCC2CC1 ZINC000790388192 1078012713 /nfs/dbraw/zinc/01/27/13/1078012713.db2.gz NXCOIVJPHXOJOW-NRFANRHFSA-N 1 0 400.910 2.984 20 0 HFADRO C[C@H](CNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000792893574 1078018043 /nfs/dbraw/zinc/01/80/43/1078018043.db2.gz VRABJGGAJHJIJG-RHSMWYFYSA-N 1 0 423.355 2.506 20 0 HFADRO C[C@@]12CCN(CC(=O)N3CCN(Cc4cccs4)CC3)C[C@@H]1C2(Cl)Cl ZINC000792900875 1078019533 /nfs/dbraw/zinc/01/95/33/1078019533.db2.gz FIDNRFWLGHTAIZ-DOTOQJQBSA-N 1 0 402.391 2.908 20 0 HFADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1OC ZINC000792931173 1078028169 /nfs/dbraw/zinc/02/81/69/1078028169.db2.gz GWPAXHKJTCLCMK-IAGOWNOFSA-N 1 0 406.548 2.905 20 0 HFADRO NC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000792934071 1078028763 /nfs/dbraw/zinc/02/87/63/1078028763.db2.gz KYAQQEAKCNUNCF-QGZVFWFLSA-N 1 0 403.280 2.622 20 0 HFADRO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790436770 1078030515 /nfs/dbraw/zinc/03/05/15/1078030515.db2.gz KFSGJJFFUAYDJH-BNLOLNQZSA-N 1 0 421.908 2.854 20 0 HFADRO C[C@@H]1C[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000792973967 1078030491 /nfs/dbraw/zinc/03/04/91/1078030491.db2.gz PFIODEZOOSTVIW-OAGGEKHMSA-N 1 0 401.548 2.592 20 0 HFADRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438867 1078031416 /nfs/dbraw/zinc/03/14/16/1078031416.db2.gz NUHOZYPZXNTOEQ-ZWKOTPCHSA-N 1 0 413.518 2.798 20 0 HFADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792948433 1078032486 /nfs/dbraw/zinc/03/24/86/1078032486.db2.gz UWOCZQCTVWGRNI-OAHLLOKOSA-N 1 0 417.307 2.736 20 0 HFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792949364 1078032703 /nfs/dbraw/zinc/03/27/03/1078032703.db2.gz ZZFYRDYNWWMETH-LBPRGKRZSA-N 1 0 423.336 2.797 20 0 HFADRO CC1(C)CN(CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000790448193 1078034530 /nfs/dbraw/zinc/03/45/30/1078034530.db2.gz TWHWAMOBGNEHPE-HSZRJFAPSA-N 1 0 422.573 2.650 20 0 HFADRO O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000747094543 1078036349 /nfs/dbraw/zinc/03/63/49/1078036349.db2.gz DCPJXADYMWSTAB-NQIIRXRSSA-N 1 0 424.501 2.648 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000792962792 1078037067 /nfs/dbraw/zinc/03/70/67/1078037067.db2.gz PYUVWZASUDULCS-SFHVURJKSA-N 1 0 409.502 2.752 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)nc1Br ZINC000792965951 1078037686 /nfs/dbraw/zinc/03/76/86/1078037686.db2.gz VTYXERYSVQVROR-KPZWWZAWSA-N 1 0 411.344 2.718 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792969871 1078039314 /nfs/dbraw/zinc/03/93/14/1078039314.db2.gz RZFSLBFYQKHWBT-UKRRQHHQSA-N 1 0 417.307 2.734 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000792971735 1078039485 /nfs/dbraw/zinc/03/94/85/1078039485.db2.gz NREYXKOAEYRSSN-UHFFFAOYSA-N 1 0 412.387 2.768 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000790484621 1078042063 /nfs/dbraw/zinc/04/20/63/1078042063.db2.gz SGZTUAWHXUCCAJ-GOSISDBHSA-N 1 0 402.539 2.630 20 0 HFADRO C[NH+](C)CCCOc1ccc(NC(=O)NCCn2cc(Br)cn2)cc1 ZINC000806260831 1079526946 /nfs/dbraw/zinc/52/69/46/1079526946.db2.gz BOTUTPOVOOCVMF-UHFFFAOYSA-N 1 0 410.316 2.798 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000806261551 1079527270 /nfs/dbraw/zinc/52/72/70/1079527270.db2.gz LIZGTVKGBBFCKV-GOSISDBHSA-N 1 0 417.428 2.976 20 0 HFADRO COCC[S@@](=O)Cc1cccc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000806274867 1079536533 /nfs/dbraw/zinc/53/65/33/1079536533.db2.gz OTLFGEOFMNSXTA-GDLZYMKVSA-N 1 0 415.559 2.930 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccco1 ZINC000806282443 1079546526 /nfs/dbraw/zinc/54/65/26/1079546526.db2.gz LAXMTERUAIDFFV-YOEHRIQHSA-N 1 0 408.524 2.580 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000806308400 1079562454 /nfs/dbraw/zinc/56/24/54/1079562454.db2.gz SVUHGKHOVYLACE-UYAOXDASSA-N 1 0 420.554 2.998 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC000806310692 1079564683 /nfs/dbraw/zinc/56/46/83/1079564683.db2.gz HPFOZDKTYNXRBK-FQEVSTJZSA-N 1 0 418.538 2.610 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000806310807 1079564715 /nfs/dbraw/zinc/56/47/15/1079564715.db2.gz JBOPXFHQZJXIIF-ICSRJNTNSA-N 1 0 418.538 2.752 20 0 HFADRO C[C@H]1[C@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000806293266 1079579471 /nfs/dbraw/zinc/57/94/71/1079579471.db2.gz ZKUKEUACFBWZJP-IFXJQAMLSA-N 1 0 402.445 2.866 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)CCC2 ZINC000806295986 1079583354 /nfs/dbraw/zinc/58/33/54/1079583354.db2.gz VMYRHSWVNAOYPX-OALUTQOASA-N 1 0 415.513 2.516 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c(C)c2)CC1 ZINC000806354875 1079588604 /nfs/dbraw/zinc/58/86/04/1079588604.db2.gz ZNSIODOESRFZOT-UHFFFAOYSA-N 1 0 401.898 2.537 20 0 HFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806318936 1079590255 /nfs/dbraw/zinc/59/02/55/1079590255.db2.gz ACHYVCTVVPURAR-KRWDZBQOSA-N 1 0 424.423 2.721 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000806327743 1079599896 /nfs/dbraw/zinc/59/98/96/1079599896.db2.gz GHVUVEPWOPXJJH-UKRRQHHQSA-N 1 0 401.429 2.753 20 0 HFADRO COC[C@@]1(CNC(=O)NCCC[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC000806333161 1079603756 /nfs/dbraw/zinc/60/37/56/1079603756.db2.gz UBJXPSAMOVLEMD-NRFANRHFSA-N 1 0 412.575 2.578 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000806385353 1079633438 /nfs/dbraw/zinc/63/34/38/1079633438.db2.gz DKLCUNJHKIJSDB-UHFFFAOYSA-N 1 0 403.523 2.645 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000806390793 1079641664 /nfs/dbraw/zinc/64/16/64/1079641664.db2.gz OEHQCSBBLKOEDD-HXUWFJFHSA-N 1 0 402.583 2.516 20 0 HFADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cnc(C3OCCO3)s1)c1ccccc1O2 ZINC000806413411 1079661403 /nfs/dbraw/zinc/66/14/03/1079661403.db2.gz KITDIEYYQUXYSB-OAHLLOKOSA-N 1 0 415.515 2.907 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC(C)(C)c1cccs1 ZINC000806424459 1079670604 /nfs/dbraw/zinc/67/06/04/1079670604.db2.gz QELALFJZZKUBEQ-UHFFFAOYSA-N 1 0 401.576 2.775 20 0 HFADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000806426467 1079672612 /nfs/dbraw/zinc/67/26/12/1079672612.db2.gz GRMJVSOYKPESSZ-SNCIUUNGSA-N 1 0 412.578 2.685 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000806429226 1079673879 /nfs/dbraw/zinc/67/38/79/1079673879.db2.gz RNAPLFZNZYZCET-HBFSDRIKSA-N 1 0 406.571 2.903 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)Cc1ccccc1 ZINC000806393963 1079683335 /nfs/dbraw/zinc/68/33/35/1079683335.db2.gz YINCSABGEVVURK-VQTJNVASSA-N 1 0 404.555 2.860 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000806407042 1079694357 /nfs/dbraw/zinc/69/43/57/1079694357.db2.gz YMRIAMVHAUHZOW-HSALFYBXSA-N 1 0 424.586 2.720 20 0 HFADRO C[C@@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473420 1079703349 /nfs/dbraw/zinc/70/33/49/1079703349.db2.gz QFJKOXJUPJHYSY-MRXNPFEDSA-N 1 0 416.547 2.645 20 0 HFADRO C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473482 1079704398 /nfs/dbraw/zinc/70/43/98/1079704398.db2.gz RBDLNGAOFFPUKB-LIRRHRJNSA-N 1 0 422.526 2.860 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C(C)(C)C1 ZINC001130635486 1079724768 /nfs/dbraw/zinc/72/47/68/1079724768.db2.gz BZLDDAMRTHWUQM-IBGZPJMESA-N 1 0 401.551 2.534 20 0 HFADRO CCCc1ccc(N2C[C@@H](C(=O)N3CC[N@H+](CCOC)CC3(C)C)CC2=O)cc1 ZINC001130635759 1079726251 /nfs/dbraw/zinc/72/62/51/1079726251.db2.gz OLPKHOACXVIXNB-IBGZPJMESA-N 1 0 401.551 2.561 20 0 HFADRO C[Si](C)(C)c1c(F)c(F)c(Br)cc1NCCOCCOCC[NH3+] ZINC001170508431 1079739043 /nfs/dbraw/zinc/73/90/43/1079739043.db2.gz TZYNMHNXYUBRLM-UHFFFAOYSA-N 1 0 411.363 2.676 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000806497390 1079747370 /nfs/dbraw/zinc/74/73/70/1079747370.db2.gz HIOZWVJZNQFCJZ-WOJBJXKFSA-N 1 0 404.555 2.812 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000806498066 1079748681 /nfs/dbraw/zinc/74/86/81/1079748681.db2.gz WJBQPICGMTUROE-WOJBJXKFSA-N 1 0 404.555 2.860 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000806503337 1079753390 /nfs/dbraw/zinc/75/33/90/1079753390.db2.gz OFRSKOXIXFVWLR-QNWHQSFQSA-N 1 0 417.394 2.565 20 0 HFADRO CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CSCCS1)[NH2+][C@@H](C)c1ccccc1 ZINC000806478527 1079765179 /nfs/dbraw/zinc/76/51/79/1079765179.db2.gz PPFXXZRZQLHZOD-UHOSZYNNSA-N 1 0 423.648 2.833 20 0 HFADRO CN(c1ccc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000806535876 1079808470 /nfs/dbraw/zinc/80/84/70/1079808470.db2.gz ZUBXRENCJNEGHU-QGZVFWFLSA-N 1 0 412.456 2.709 20 0 HFADRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)[C@@H]1CCCC12OCCO2 ZINC000806581255 1079812707 /nfs/dbraw/zinc/81/27/07/1079812707.db2.gz SJEPXWSNHLJEJC-NRFANRHFSA-N 1 0 422.529 2.886 20 0 HFADRO CCN(CC)CCN(C(=O)c1nc(S(C)(=O)=O)ncc1C)c1ccc(Cl)cc1 ZINC001130671621 1079821823 /nfs/dbraw/zinc/82/18/23/1079821823.db2.gz QKCXVMHUNFLIEK-UHFFFAOYSA-N 1 0 424.954 2.831 20 0 HFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1cn(C[C@@H]2CCOC2)nn1 ZINC001130672816 1079823866 /nfs/dbraw/zinc/82/38/66/1079823866.db2.gz JRUMNUUUKFENBY-INIZCTEOSA-N 1 0 401.536 2.755 20 0 HFADRO C[NH+]1CCC(CNC(=S)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000806593735 1079836703 /nfs/dbraw/zinc/83/67/03/1079836703.db2.gz DSBYFTXHUQOFJO-OAQYLSRUSA-N 1 0 410.628 2.926 20 0 HFADRO O=C(NCCc1ccc(Cl)nc1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000806598569 1079840332 /nfs/dbraw/zinc/84/03/32/1079840332.db2.gz NPZLWAMFFUYDDL-UHFFFAOYSA-N 1 0 406.958 2.508 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806619684 1079854448 /nfs/dbraw/zinc/85/44/48/1079854448.db2.gz JRAQWGJIIBQDKI-PMACEKPBSA-N 1 0 402.539 2.819 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1=O ZINC001130706980 1079877530 /nfs/dbraw/zinc/87/75/30/1079877530.db2.gz GJPKSAOSHDDJJG-UHFFFAOYSA-N 1 0 402.498 2.748 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1=O ZINC001130707303 1079877623 /nfs/dbraw/zinc/87/76/23/1079877623.db2.gz QPNZMWHGARLUOW-UHFFFAOYSA-N 1 0 421.497 2.858 20 0 HFADRO C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000806635306 1079891604 /nfs/dbraw/zinc/89/16/04/1079891604.db2.gz QYEPWLPZCWFBOS-GOSISDBHSA-N 1 0 419.529 2.770 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738410 1079930259 /nfs/dbraw/zinc/93/02/59/1079930259.db2.gz CZDCRETXIUQSBA-JJRVBVJISA-N 1 0 402.322 2.579 20 0 HFADRO CC(C)(C)OC(=O)N(CCCNC(=O)N1CC[NH+]2CCC1CC2)Cc1cccnc1 ZINC000806740302 1079932022 /nfs/dbraw/zinc/93/20/22/1079932022.db2.gz QHUFXTAVVFTTMT-UHFFFAOYSA-N 1 0 417.554 2.698 20 0 HFADRO C[C@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806722469 1079946193 /nfs/dbraw/zinc/94/61/93/1079946193.db2.gz YUABEWXTSXALTG-FHWLQOOXSA-N 1 0 422.614 2.506 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000806726971 1079950700 /nfs/dbraw/zinc/95/07/00/1079950700.db2.gz KMPGKOTVCQKIIA-RTWAWAEBSA-N 1 0 416.566 2.813 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729329 1079953025 /nfs/dbraw/zinc/95/30/25/1079953025.db2.gz MHCKTXVUISFBDZ-AVRDEDQJSA-N 1 0 423.557 2.557 20 0 HFADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2CCCC23OCCO3)c1 ZINC000806730655 1079954600 /nfs/dbraw/zinc/95/46/00/1079954600.db2.gz XQACQCJDWPLTPC-IBGZPJMESA-N 1 0 401.507 2.983 20 0 HFADRO CC(=O)Nc1ccc(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733064 1079971413 /nfs/dbraw/zinc/97/14/13/1079971413.db2.gz IIRFNBQUPOGJMM-XZOQPEGZSA-N 1 0 407.514 2.689 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000806769260 1079988560 /nfs/dbraw/zinc/98/85/60/1079988560.db2.gz HCSRTTQORUJADK-GOSISDBHSA-N 1 0 424.586 2.720 20 0 HFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806770729 1079989553 /nfs/dbraw/zinc/98/95/53/1079989553.db2.gz YXNRISZXNJQNDD-VAMGGRTRSA-N 1 0 424.586 2.720 20 0 HFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1 ZINC000806771684 1079991225 /nfs/dbraw/zinc/99/12/25/1079991225.db2.gz FWQJYWPDQMKVMP-KRWDZBQOSA-N 1 0 415.456 2.577 20 0 HFADRO O=C(Nc1cc(F)c(N2CCOCC2)cc1F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806742566 1079996545 /nfs/dbraw/zinc/99/65/45/1079996545.db2.gz OCBMZXUOPVBBST-INIZCTEOSA-N 1 0 424.492 2.566 20 0 HFADRO COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)C1 ZINC001130742356 1080005993 /nfs/dbraw/zinc/00/59/93/1080005993.db2.gz TULNEVXBVBSCSL-RBUKOAKNSA-N 1 0 417.550 2.621 20 0 HFADRO C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001130742250 1080006171 /nfs/dbraw/zinc/00/61/71/1080006171.db2.gz PCUNWGUPKDQNHH-DENIHFKCSA-N 1 0 419.566 2.616 20 0 HFADRO C[C@@H](CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](C)CO)c1ccccc1 ZINC000806814154 1080027482 /nfs/dbraw/zinc/02/74/82/1080027482.db2.gz KRSGPDDGPKZBRE-CNNODRBYSA-N 1 0 403.567 2.826 20 0 HFADRO O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806813888 1080027794 /nfs/dbraw/zinc/02/77/94/1080027794.db2.gz DASWNBAYLKIGIV-QZTJIDSGSA-N 1 0 415.456 2.681 20 0 HFADRO C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806814890 1080028136 /nfs/dbraw/zinc/02/81/36/1080028136.db2.gz XKVVQJSCRVNJJU-QFBILLFUSA-N 1 0 416.570 2.665 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000806850599 1080034962 /nfs/dbraw/zinc/03/49/62/1080034962.db2.gz RICCIZFWWNPNGB-UHFFFAOYSA-N 1 0 409.530 2.942 20 0 HFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000806823436 1080040136 /nfs/dbraw/zinc/04/01/36/1080040136.db2.gz UWQNQIRWZFEEKL-QHCPKHFHSA-N 1 0 422.577 2.622 20 0 HFADRO CCOC(=O)c1cc2cc(Br)cc(NCCOCCOCC[NH3+])c2o1 ZINC001170513073 1080074847 /nfs/dbraw/zinc/07/48/47/1080074847.db2.gz REBVLKCTJUKYQV-UHFFFAOYSA-N 1 0 415.284 2.776 20 0 HFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806923459 1080091447 /nfs/dbraw/zinc/09/14/47/1080091447.db2.gz KRZBEFDWRPIFHR-IBGZPJMESA-N 1 0 409.530 2.833 20 0 HFADRO CC[N@H+](CCCNC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1CCCCC1 ZINC001130786569 1080096982 /nfs/dbraw/zinc/09/69/82/1080096982.db2.gz PALIIGLDULJXAE-UHFFFAOYSA-N 1 0 401.551 2.934 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000806992547 1080171347 /nfs/dbraw/zinc/17/13/47/1080171347.db2.gz VCXCLCQXUIVLRE-DNVJHFABSA-N 1 0 415.578 2.828 20 0 HFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)CC1 ZINC000807007331 1080207383 /nfs/dbraw/zinc/20/73/83/1080207383.db2.gz GDQSEZOLDLUPLV-YLJYHZDGSA-N 1 0 417.554 2.869 20 0 HFADRO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000807026630 1080220783 /nfs/dbraw/zinc/22/07/83/1080220783.db2.gz XCSRQTWNVNCFAP-QFIPXVFZSA-N 1 0 423.557 2.658 20 0 HFADRO C[C@@H]1[C@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000807038478 1080228949 /nfs/dbraw/zinc/22/89/49/1080228949.db2.gz HRKKUAQUVHTDHP-VQIMIIECSA-N 1 0 402.539 2.816 20 0 HFADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1nc(Br)sc1C1CC1 ZINC000807066274 1080249048 /nfs/dbraw/zinc/24/90/48/1080249048.db2.gz IKZOZQOTRZMHKF-LBPRGKRZSA-N 1 0 400.342 2.766 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000807089583 1080268085 /nfs/dbraw/zinc/26/80/85/1080268085.db2.gz IAOBDMFORPXAFL-YADHBBJMSA-N 1 0 413.562 2.747 20 0 HFADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807089518 1080268287 /nfs/dbraw/zinc/26/82/87/1080268287.db2.gz GZACYBXRQXJWHT-QFIPXVFZSA-N 1 0 415.578 2.851 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000807090099 1080270168 /nfs/dbraw/zinc/27/01/68/1080270168.db2.gz NBJHZQOEAHGIHX-FCHUYYIVSA-N 1 0 413.562 2.747 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000747372722 1080286323 /nfs/dbraw/zinc/28/63/23/1080286323.db2.gz ABYWYOUERQIXND-SQNIBIBYSA-N 1 0 409.571 2.924 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000807113721 1080290501 /nfs/dbraw/zinc/29/05/01/1080290501.db2.gz IDLRPXHVIQWOJQ-SCWSEQNSSA-N 1 0 410.518 2.673 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000807148371 1080304928 /nfs/dbraw/zinc/30/49/28/1080304928.db2.gz CFACBMAFSBVIHO-VDZJLULYSA-N 1 0 408.518 2.985 20 0 HFADRO CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)CC1 ZINC000807149723 1080306901 /nfs/dbraw/zinc/30/69/01/1080306901.db2.gz GTSBEZNKVIUEDW-UZLBHIALSA-N 1 0 420.554 2.854 20 0 HFADRO C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000807150950 1080308260 /nfs/dbraw/zinc/30/82/60/1080308260.db2.gz VLHMNBLNNQAUNZ-BPQIPLTHSA-N 1 0 411.468 2.957 20 0 HFADRO CCc1nocc1C[N@H+](C)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001170518909 1080310979 /nfs/dbraw/zinc/31/09/79/1080310979.db2.gz JSUJLQBCNGRWFV-SFHVURJKSA-N 1 0 411.424 2.849 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)ccc1=O ZINC000807156594 1080314389 /nfs/dbraw/zinc/31/43/89/1080314389.db2.gz HHRVFPORKNWVAW-FQEVSTJZSA-N 1 0 402.882 2.585 20 0 HFADRO C[NH+](C)CCOCCNC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC000807167629 1080323108 /nfs/dbraw/zinc/32/31/08/1080323108.db2.gz HDDIFOBUXLVSBT-UHFFFAOYSA-N 1 0 420.554 2.752 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807189469 1080338563 /nfs/dbraw/zinc/33/85/63/1080338563.db2.gz VVWWQSQYHCMRQP-PMACEKPBSA-N 1 0 402.539 2.819 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)C2)cc1C ZINC000807213399 1080364410 /nfs/dbraw/zinc/36/44/10/1080364410.db2.gz HLBZLPLNDNHUQI-QRQLOZEOSA-N 1 0 400.523 2.765 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)C2)cc1C ZINC000807213402 1080364449 /nfs/dbraw/zinc/36/44/49/1080364449.db2.gz HLBZLPLNDNHUQI-UHOSZYNNSA-N 1 0 400.523 2.765 20 0 HFADRO COc1ccc(C2=NO[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)C2)cc1 ZINC000807213633 1080364483 /nfs/dbraw/zinc/36/44/83/1080364483.db2.gz IPVCVEYJFGGPHC-CTNGQTDRSA-N 1 0 414.481 2.929 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)C2)cc1C ZINC000807213405 1080364506 /nfs/dbraw/zinc/36/45/06/1080364506.db2.gz HLBZLPLNDNHUQI-WDSOQIARSA-N 1 0 400.523 2.765 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)C2)cc1F ZINC000807213343 1080365354 /nfs/dbraw/zinc/36/53/54/1080365354.db2.gz FCTQVFFGORBAJU-UAGQMJEPSA-N 1 0 404.486 2.596 20 0 HFADRO C[NH+](C)CCN(C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)C1CC1 ZINC000807266318 1080419984 /nfs/dbraw/zinc/41/99/84/1080419984.db2.gz TZFVHDYAQXYPPS-UHFFFAOYSA-N 1 0 401.960 2.583 20 0 HFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3CSC3=NCCS3)C2)CC1 ZINC000747389653 1080476206 /nfs/dbraw/zinc/47/62/06/1080476206.db2.gz MGJVJMSEBMYQCZ-QGZVFWFLSA-N 1 0 418.632 2.921 20 0 HFADRO CON(C)S(=O)(=O)c1cccc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1 ZINC000805280834 1080500208 /nfs/dbraw/zinc/50/02/08/1080500208.db2.gz IDFIOWVTYDGSRF-UHFFFAOYSA-N 1 0 411.568 2.595 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1ccco1 ZINC000807310999 1080504330 /nfs/dbraw/zinc/50/43/30/1080504330.db2.gz XDCKBTIMMSYCFF-YPMHNXCESA-N 1 0 409.284 2.621 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807354202 1080514788 /nfs/dbraw/zinc/51/47/88/1080514788.db2.gz GYLPBCCMXVRQSD-YLJYHZDGSA-N 1 0 408.502 2.684 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807354181 1080514802 /nfs/dbraw/zinc/51/48/02/1080514802.db2.gz GUSGWBDAMSWPBX-PWSUYJOCSA-N 1 0 415.719 2.521 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354501 1080517229 /nfs/dbraw/zinc/51/72/29/1080517229.db2.gz CDHMCTXRGQDXAS-VWLOTQADSA-N 1 0 421.541 2.977 20 0 HFADRO CC(C)Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n(C)n1 ZINC000807355782 1080517633 /nfs/dbraw/zinc/51/76/33/1080517633.db2.gz YMVHNNAXLRUCRT-XMMPIXPASA-N 1 0 423.561 2.682 20 0 HFADRO COc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc(OC)c1C(C)C ZINC000807355637 1080518068 /nfs/dbraw/zinc/51/80/68/1080518068.db2.gz TXVSISDAKXFZSR-WBVHZDCISA-N 1 0 403.523 2.851 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccccc1C(=O)N(CC)CC ZINC000807358645 1080520578 /nfs/dbraw/zinc/52/05/78/1080520578.db2.gz AXGXAISORWVMTK-UHFFFAOYSA-N 1 0 416.566 2.832 20 0 HFADRO CON(CC(C)(C)C)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000807359988 1080521278 /nfs/dbraw/zinc/52/12/78/1080521278.db2.gz YAUFYCQAGAZDET-UHFFFAOYSA-N 1 0 404.555 2.839 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000807331374 1080532207 /nfs/dbraw/zinc/53/22/07/1080532207.db2.gz CKOGKXKAKWYTET-UHFFFAOYSA-N 1 0 420.941 2.740 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N(C)C(=O)OCC)cc1 ZINC000807334459 1080535237 /nfs/dbraw/zinc/53/52/37/1080535237.db2.gz OQAIJQQDYNQJJT-UHFFFAOYSA-N 1 0 404.511 2.552 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CSC[C@@H]3C)cc2Cl)CC1 ZINC000807349910 1080556229 /nfs/dbraw/zinc/55/62/29/1080556229.db2.gz NYVGOVRYVKEESE-WMLDXEAASA-N 1 0 424.998 2.678 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807352771 1080559732 /nfs/dbraw/zinc/55/97/32/1080559732.db2.gz BQRWVQDDKUTBHU-ZBFHGGJFSA-N 1 0 406.477 2.589 20 0 HFADRO CSCc1ccc(CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000807378253 1080575224 /nfs/dbraw/zinc/57/52/24/1080575224.db2.gz ZANDPJSCQTYSBG-UHFFFAOYSA-N 1 0 412.559 2.556 20 0 HFADRO C[C@@H](O)c1cc(NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1F ZINC000807399907 1080595097 /nfs/dbraw/zinc/59/50/97/1080595097.db2.gz OTQRNBBGBGCXEJ-KZULUSFZSA-N 1 0 401.438 2.841 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000807401266 1080596344 /nfs/dbraw/zinc/59/63/44/1080596344.db2.gz LNEZVRHXTIGCIJ-VMRPVKRXSA-N 1 0 401.507 2.728 20 0 HFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[NH+](C)C ZINC000807407587 1080602414 /nfs/dbraw/zinc/60/24/14/1080602414.db2.gz CTUYWKVTZKTZPY-OIISXLGYSA-N 1 0 414.472 2.791 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1)c1ccco1 ZINC000807442376 1080662613 /nfs/dbraw/zinc/66/26/13/1080662613.db2.gz ZDBSNUWJEOGNHU-KANFNMMFSA-N 1 0 403.527 2.740 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000807491992 1080681174 /nfs/dbraw/zinc/68/11/74/1080681174.db2.gz CTJBFZCDSJCDDE-ROUUACIJSA-N 1 0 417.554 2.565 20 0 HFADRO C[C@@H]1CCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000807496492 1080692657 /nfs/dbraw/zinc/69/26/57/1080692657.db2.gz KTLVFBUWEFVYIF-CJFMBICVSA-N 1 0 423.557 2.523 20 0 HFADRO COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1F ZINC000807510339 1080713852 /nfs/dbraw/zinc/71/38/52/1080713852.db2.gz UVQMEOQXSMAQHA-SFHVURJKSA-N 1 0 417.481 2.979 20 0 HFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000807513476 1080720300 /nfs/dbraw/zinc/72/03/00/1080720300.db2.gz CHZAJJJDCAYGSF-WZONZLPQSA-N 1 0 412.534 2.792 20 0 HFADRO O=C(NCCn1cc(Br)cn1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000807531389 1080743029 /nfs/dbraw/zinc/74/30/29/1080743029.db2.gz VANXCQGYOMQKSW-UHFFFAOYSA-N 1 0 412.376 2.943 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1C ZINC000807544564 1080761664 /nfs/dbraw/zinc/76/16/64/1080761664.db2.gz VWKLQKNYDWRFJR-IIBYNOLFSA-N 1 0 408.502 2.671 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC([NH2+]C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550256 1080765985 /nfs/dbraw/zinc/76/59/85/1080765985.db2.gz FCGJCBGQJURWRW-OAQYLSRUSA-N 1 0 412.575 2.575 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000807550829 1080767179 /nfs/dbraw/zinc/76/71/79/1080767179.db2.gz KPVPJKCHIRIEBC-XMSQKQJNSA-N 1 0 424.586 2.672 20 0 HFADRO Cc1cccc(F)c1CNC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807518910 1080772147 /nfs/dbraw/zinc/77/21/47/1080772147.db2.gz PHUOCSFBVMAVSP-UHFFFAOYSA-N 1 0 412.509 2.910 20 0 HFADRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1c1ccc(O)cc1 ZINC001170528077 1080783909 /nfs/dbraw/zinc/78/39/09/1080783909.db2.gz YPZQATPSNDAYOV-RBUKOAKNSA-N 1 0 404.413 2.888 20 0 HFADRO Cn1ncc(CNC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000807571122 1080783949 /nfs/dbraw/zinc/78/39/49/1080783949.db2.gz ROQRYVLAYGWYQH-UHFFFAOYSA-N 1 0 411.337 2.930 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000747406054 1080792219 /nfs/dbraw/zinc/79/22/19/1080792219.db2.gz VQGSKXWTIFJMOY-MRXNPFEDSA-N 1 0 403.552 2.575 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000807555880 1080806963 /nfs/dbraw/zinc/80/69/63/1080806963.db2.gz IGPJJCBNSWKFGZ-SJORKVTESA-N 1 0 406.958 2.773 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1ccc(C[S@](C)=O)cc1 ZINC000807557971 1080809040 /nfs/dbraw/zinc/80/90/40/1080809040.db2.gz OWCZAFGLVJRHDY-NDEPHWFRSA-N 1 0 401.576 2.881 20 0 HFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000500241646 1126095268 /nfs/dbraw/zinc/09/52/68/1126095268.db2.gz KAZAERBIEYXMGM-FQEVSTJZSA-N 1 0 422.928 2.883 20 0 HFADRO CCOC(=O)Cn1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c(-c2cccnc2)n1 ZINC001180897452 1126152835 /nfs/dbraw/zinc/15/28/35/1126152835.db2.gz UJGWWYAMUIRFCE-NRFANRHFSA-N 1 0 408.502 2.510 20 0 HFADRO CCOC(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)[nH]1 ZINC001182882046 1126153036 /nfs/dbraw/zinc/15/30/36/1126153036.db2.gz PSOBKTATENHLIK-LJQANCHMSA-N 1 0 407.308 2.964 20 0 HFADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001308040329 1126162931 /nfs/dbraw/zinc/16/29/31/1126162931.db2.gz UMWNNBLMIOPJPF-HOTGVXAUSA-N 1 0 422.856 2.612 20 0 HFADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2[NH2+]CCO[C@H]2C1 ZINC001164389830 718822737 /nfs/dbraw/zinc/82/27/37/718822737.db2.gz JTYATNNMCMCZMU-YPMHNXCESA-N 1 0 405.232 2.928 20 0 HFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC001164410609 718872837 /nfs/dbraw/zinc/87/28/37/718872837.db2.gz DUCVBPBQJXXSSG-HUUCEWRRSA-N 1 0 408.836 2.973 20 0 HFADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425862 718917924 /nfs/dbraw/zinc/91/79/24/718917924.db2.gz WAXBVRWXUXFRSA-PMACEKPBSA-N 1 0 422.888 2.510 20 0 HFADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc1Cl ZINC001164425875 718939900 /nfs/dbraw/zinc/93/99/00/718939900.db2.gz XNJYRTPGICKVOV-GJZGRUSLSA-N 1 0 408.836 2.927 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164434831 718967787 /nfs/dbraw/zinc/96/77/87/718967787.db2.gz WAUJSRTYEDCGAG-KGLIPLIRSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164617587 719008662 /nfs/dbraw/zinc/00/86/62/719008662.db2.gz OSKFOPBBXYWACC-RDTXWAMCSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164614440 719010124 /nfs/dbraw/zinc/01/01/24/719010124.db2.gz FJZRJTFVCGMGEA-FZKQIMNGSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(=O)OC)cc3Cl)CC2)CC1 ZINC001164614070 719020799 /nfs/dbraw/zinc/02/07/99/719020799.db2.gz BVZHIGFHMMGYJK-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc(Cl)nn3)CC2)CC1 ZINC001164613906 719023517 /nfs/dbraw/zinc/02/35/17/719023517.db2.gz JGQLXKUFKFDSSP-UHFFFAOYSA-N 1 0 402.873 2.919 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(C(=O)OC(C)(C)C)n3)CC2)CC1 ZINC001164616980 719028249 /nfs/dbraw/zinc/02/82/49/719028249.db2.gz GSRDBHVJMNNLBF-UHFFFAOYSA-N 1 0 418.538 2.676 20 0 HFADRO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626640 719082621 /nfs/dbraw/zinc/08/26/21/719082621.db2.gz OXLCHXJACAOBJS-KBPBESRZSA-N 1 0 406.317 2.983 20 0 HFADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC001164650001 719294027 /nfs/dbraw/zinc/29/40/27/719294027.db2.gz XPBSZRBDEIAMSS-IMSXRSKXSA-N 1 0 424.545 2.904 20 0 HFADRO Cc1cc2c(ncnc2N2CC[NH+](CC(C)C)CC2)n1S(=O)(=O)c1ccccc1 ZINC001164653271 719330565 /nfs/dbraw/zinc/33/05/65/719330565.db2.gz TUMYBPKRDZXDML-UHFFFAOYSA-N 1 0 413.547 2.755 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@@H]43)n2)CC1 ZINC001164659678 719343309 /nfs/dbraw/zinc/34/33/09/719343309.db2.gz DOUAURUSOLYAMJ-MZKRTTBSSA-N 1 0 400.567 2.776 20 0 HFADRO CCOC(=O)c1c(Cl)cc(C)nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684212 719605019 /nfs/dbraw/zinc/60/50/19/719605019.db2.gz MZMHBZFRQWBLNL-UHFFFAOYSA-N 1 0 405.930 2.892 20 0 HFADRO COc1cc2nc(C)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164681616 719623475 /nfs/dbraw/zinc/62/34/75/719623475.db2.gz JCTOIFMAVBFRLX-UHFFFAOYSA-N 1 0 410.522 2.627 20 0 HFADRO CCOC(=O)c1cc2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2s1 ZINC001164681240 719631695 /nfs/dbraw/zinc/63/16/95/719631695.db2.gz DZSHKYSRTNLQBY-UHFFFAOYSA-N 1 0 414.535 2.540 20 0 HFADRO COc1ccc(OC)c(-c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)c1 ZINC001164679518 719645012 /nfs/dbraw/zinc/64/50/12/719645012.db2.gz DXSCOAXCNIIPJL-UHFFFAOYSA-N 1 0 422.533 2.832 20 0 HFADRO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164683403 719694838 /nfs/dbraw/zinc/69/48/38/719694838.db2.gz FUVDLFAVOLFYNW-OAHLLOKOSA-N 1 0 417.941 2.990 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164690216 719744878 /nfs/dbraw/zinc/74/48/78/719744878.db2.gz VLXRKBDGNBSCAX-UHFFFAOYSA-N 1 0 422.529 2.619 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164689339 719752652 /nfs/dbraw/zinc/75/26/52/719752652.db2.gz BOCAVGURTNITLR-UHFFFAOYSA-N 1 0 411.575 2.950 20 0 HFADRO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164696269 719835649 /nfs/dbraw/zinc/83/56/49/719835649.db2.gz RJXYZFIRANSOLQ-FQEVSTJZSA-N 1 0 419.533 2.522 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)OC)CC2 ZINC001164709563 720103311 /nfs/dbraw/zinc/10/33/11/720103311.db2.gz AQYIDAXQWVAWPU-LJQANCHMSA-N 1 0 410.518 2.771 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc3cc(OC)c(OC)cc3n1)C2 ZINC001164807032 720108718 /nfs/dbraw/zinc/10/87/18/720108718.db2.gz ANAWYHMUBUACED-HXOBKFHXSA-N 1 0 412.534 2.832 20 0 HFADRO COCOc1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164716161 720120776 /nfs/dbraw/zinc/12/07/76/720120776.db2.gz JIBMZZXWUJEWHU-FQEVSTJZSA-N 1 0 412.534 2.967 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164714559 720128189 /nfs/dbraw/zinc/12/81/89/720128189.db2.gz XGMOHPQMNMMWBR-FQEVSTJZSA-N 1 0 419.533 2.565 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001164809665 720129106 /nfs/dbraw/zinc/12/91/06/720129106.db2.gz HVSIOSIXBQSDDD-HTAPYJJXSA-N 1 0 402.539 2.617 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(OC)nc(-c3ccccc3)n1)C2 ZINC001164809630 720134196 /nfs/dbraw/zinc/13/41/96/720134196.db2.gz HSVDSCKWAGUUEG-XXBNENTESA-N 1 0 409.534 2.732 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(F)c(OC)cc31)C2 ZINC001164813894 720142027 /nfs/dbraw/zinc/14/20/27/720142027.db2.gz RMFXCFZIOKTKRA-ZHRRBRCNSA-N 1 0 400.498 2.962 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(/C=C\C(=O)OC)cc3cc[nH]c31)C2 ZINC001164818159 720151285 /nfs/dbraw/zinc/15/12/85/720151285.db2.gz RXSYIPZLAXVODS-LVVLGITISA-N 1 0 424.545 2.934 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)C2 ZINC001164818161 720151311 /nfs/dbraw/zinc/15/13/11/720151311.db2.gz RXSYIPZLAXVODS-QINKANGISA-N 1 0 424.545 2.934 20 0 HFADRO Cn1nnc2c1CCN(c1ncc(F)c3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715937 720183729 /nfs/dbraw/zinc/18/37/29/720183729.db2.gz DWEPXJDLGZXPOL-HXUWFJFHSA-N 1 0 410.497 2.719 20 0 HFADRO Cn1nnc2c1CCN(c1nccc3ccc(F)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715416 720184030 /nfs/dbraw/zinc/18/40/30/720184030.db2.gz BJVRXCFTKGOMJB-FQEVSTJZSA-N 1 0 410.497 2.719 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164815463 720201310 /nfs/dbraw/zinc/20/13/10/720201310.db2.gz ZPWFJMODFSQJJP-WMZOPIPTSA-N 1 0 401.885 2.703 20 0 HFADRO Cc1cccc2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164717634 720201766 /nfs/dbraw/zinc/20/17/66/720201766.db2.gz VNRIRVMQDLGECJ-HXUWFJFHSA-N 1 0 406.534 2.888 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc(C3CC3)n1)CCC2 ZINC001164811936 720212484 /nfs/dbraw/zinc/21/24/84/720212484.db2.gz KKWLKMWPBHGDFE-UHFFFAOYSA-N 1 0 402.930 2.815 20 0 HFADRO CCOc1ccc2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164813546 720225445 /nfs/dbraw/zinc/22/54/45/720225445.db2.gz OKRRPSQLHRHXIK-UHFFFAOYSA-N 1 0 422.533 2.836 20 0 HFADRO COc1ccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc(C)c2c1 ZINC001164812778 720226794 /nfs/dbraw/zinc/22/67/94/720226794.db2.gz IXDZAYDNBOHOCF-UHFFFAOYSA-N 1 0 422.533 2.754 20 0 HFADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(-c2ccco2)n1 ZINC001164814611 720239556 /nfs/dbraw/zinc/23/95/56/720239556.db2.gz ZFOKWFWYQZMJJX-UHFFFAOYSA-N 1 0 408.506 2.852 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2CCC3)CC1 ZINC001164828293 720299604 /nfs/dbraw/zinc/29/96/04/720299604.db2.gz ZWLKLHHOPLZUCY-QZTJIDSGSA-N 1 0 403.958 2.530 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820557 720301438 /nfs/dbraw/zinc/30/14/38/720301438.db2.gz HLBXYDSSZCLQCA-HZPDHXFCSA-N 1 0 409.987 2.763 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164824738 720321421 /nfs/dbraw/zinc/32/14/21/720321421.db2.gz CZLLVVFGNYOIOL-NHCUHLMSSA-N 1 0 409.534 2.550 20 0 HFADRO COc1ccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164824739 720321751 /nfs/dbraw/zinc/32/17/51/720321751.db2.gz CZLLVVFGNYOIOL-RTWAWAEBSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC001164831396 720332359 /nfs/dbraw/zinc/33/23/59/720332359.db2.gz RWPYWQGXYLLRRH-JKSUJKDBSA-N 1 0 402.930 2.523 20 0 HFADRO COc1cccc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c21 ZINC001164828654 720340752 /nfs/dbraw/zinc/34/07/52/720340752.db2.gz PAAFZHVHRNQTHP-RBUKOAKNSA-N 1 0 409.534 2.550 20 0 HFADRO CSc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(SC)n1 ZINC001164828288 720353919 /nfs/dbraw/zinc/35/39/19/720353919.db2.gz OBSXJOSNJLQQGV-HOTGVXAUSA-N 1 0 421.636 2.832 20 0 HFADRO Cc1nc(CN2CCN(C)C3(CCN(c4cc5[nH]ccc5c(C)[nH+]4)CC3)C2=O)cs1 ZINC001164820748 720377806 /nfs/dbraw/zinc/37/78/06/720377806.db2.gz SXDJDZQESWNIBN-UHFFFAOYSA-N 1 0 424.574 2.949 20 0 HFADRO COC(=O)c1c(Cl)cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1OC ZINC001164727059 720424931 /nfs/dbraw/zinc/42/49/31/720424931.db2.gz CXGAJRKAIXRWHI-JKSUJKDBSA-N 1 0 402.882 2.778 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(C(=O)N3CCCCC3)cc(Cl)n2)C1 ZINC001164727795 720509022 /nfs/dbraw/zinc/50/90/22/720509022.db2.gz DJBQGMKIPHSDHU-MRXNPFEDSA-N 1 0 416.957 2.756 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1Cl ZINC001164733234 720509684 /nfs/dbraw/zinc/50/96/84/720509684.db2.gz YQGRVICGZCEPLK-LBPRGKRZSA-N 1 0 412.321 2.960 20 0 HFADRO COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834885 720512512 /nfs/dbraw/zinc/51/25/12/720512512.db2.gz HVOPCNVGXGCRRM-SZVBFZGTSA-N 1 0 401.486 2.582 20 0 HFADRO COc1cc2nc(Cl)c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2cc1OC ZINC001164729358 720515619 /nfs/dbraw/zinc/51/56/19/720515619.db2.gz MSGQXGGJQVMJBX-ZDUSSCGKSA-N 1 0 416.913 2.695 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc(Oc3ccc(F)cc3)n2)C1 ZINC001164730008 720518885 /nfs/dbraw/zinc/51/88/85/720518885.db2.gz PPQCFXVHMXTRRB-CYBMUJFWSA-N 1 0 417.876 2.851 20 0 HFADRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838414 720524846 /nfs/dbraw/zinc/52/48/46/720524846.db2.gz QTHQMNBEXKVNHP-WSTZPKSXSA-N 1 0 412.538 2.536 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc12 ZINC001164840069 720526351 /nfs/dbraw/zinc/52/63/51/720526351.db2.gz WGTVKXOQXUZDEA-SQGPQFPESA-N 1 0 422.533 2.924 20 0 HFADRO CCOC(=O)c1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncc1Cl ZINC001164733102 720552773 /nfs/dbraw/zinc/55/27/73/720552773.db2.gz JNBXVBSNSDKEHP-UHFFFAOYSA-N 1 0 403.914 2.767 20 0 HFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164736360 720576272 /nfs/dbraw/zinc/57/62/72/720576272.db2.gz KMGIWLXCDJJJPA-UHFFFAOYSA-N 1 0 404.518 2.911 20 0 HFADRO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164837156 720609543 /nfs/dbraw/zinc/60/95/43/720609543.db2.gz HHOJFJLNCBUQPB-PWRODBHTSA-N 1 0 410.566 2.796 20 0 HFADRO Clc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164741488 720698730 /nfs/dbraw/zinc/69/87/30/720698730.db2.gz TZHGERYYYDETRI-IAGOWNOFSA-N 1 0 408.893 2.929 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164838391 720708625 /nfs/dbraw/zinc/70/86/25/720708625.db2.gz IXMQIQQRAMGVMG-GOSISDBHSA-N 1 0 421.545 2.966 20 0 HFADRO COc1nc(Cl)ncc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837432 720738768 /nfs/dbraw/zinc/73/87/68/720738768.db2.gz JJPQUAZHSRMJJG-UHFFFAOYSA-N 1 0 412.872 2.932 20 0 HFADRO c1ccc(COc2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164746924 720755925 /nfs/dbraw/zinc/75/59/25/720755925.db2.gz YYPSTFKIQMCJKA-PMACEKPBSA-N 1 0 403.486 2.793 20 0 HFADRO Clc1cccc(-c2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)c1 ZINC001164738947 720770168 /nfs/dbraw/zinc/77/01/68/720770168.db2.gz HAKRQQGVNUXFFK-ROUUACIJSA-N 1 0 408.893 2.929 20 0 HFADRO Fc1ccc(COc2cccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164740422 720778153 /nfs/dbraw/zinc/77/81/53/720778153.db2.gz LAVYIEBHFDFSSJ-VQTJNVASSA-N 1 0 421.476 2.932 20 0 HFADRO Fc1cccc(F)c1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738226 720780297 /nfs/dbraw/zinc/78/02/97/720780297.db2.gz FGZVOCSWLKDDHZ-CABCVRRESA-N 1 0 410.428 2.554 20 0 HFADRO Clc1nc2cc[nH]c2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744133 720808822 /nfs/dbraw/zinc/80/88/22/720808822.db2.gz HLCDQDTUKSZGQO-BFYDXBDKSA-N 1 0 412.929 2.582 20 0 HFADRO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748760 720814410 /nfs/dbraw/zinc/81/44/10/720814410.db2.gz RIZNHILDEWYTSF-JFIYKMOQSA-N 1 0 401.946 2.663 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c1 ZINC001164738143 720820752 /nfs/dbraw/zinc/82/07/52/720820752.db2.gz DUBKTSAVQMNNGB-PWRODBHTSA-N 1 0 424.549 2.538 20 0 HFADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738000 720828977 /nfs/dbraw/zinc/82/89/77/720828977.db2.gz DFOHKTPZCQTQJI-SFHLNBCPSA-N 1 0 424.549 2.538 20 0 HFADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738001 720829127 /nfs/dbraw/zinc/82/91/27/720829127.db2.gz DFOHKTPZCQTQJI-SVFBPWRDSA-N 1 0 424.549 2.538 20 0 HFADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746087 720829216 /nfs/dbraw/zinc/82/92/16/720829216.db2.gz XXMQBBJIINWNGH-QXOCSCLMSA-N 1 0 420.920 2.833 20 0 HFADRO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751823 720833960 /nfs/dbraw/zinc/83/39/60/720833960.db2.gz YZYUCHNJFXZTPR-KVSKMBFKSA-N 1 0 424.940 2.649 20 0 HFADRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)c1Cl ZINC001164749424 720834727 /nfs/dbraw/zinc/83/47/27/720834727.db2.gz VUSLWPLIEBUVER-RCCFBDPRSA-N 1 0 401.946 2.718 20 0 HFADRO Fc1cnc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164745238 720842507 /nfs/dbraw/zinc/84/25/07/720842507.db2.gz NBFFSRRYOVTPLG-DJPFJPOOSA-N 1 0 407.497 2.740 20 0 HFADRO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747288 720850426 /nfs/dbraw/zinc/85/04/26/720850426.db2.gz QCQZTGYIOPADEL-JFIYKMOQSA-N 1 0 401.946 2.663 20 0 HFADRO CCCSc1cncc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741926 720850753 /nfs/dbraw/zinc/85/07/53/720850753.db2.gz FYHQKDDLORPSKP-CEXWTWQISA-N 1 0 413.595 2.950 20 0 HFADRO COc1ccnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751160 720854714 /nfs/dbraw/zinc/85/47/14/720854714.db2.gz QMPGCVNHMSLMSU-GVDBMIGSSA-N 1 0 402.930 2.715 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@H]2C1 ZINC001164852639 720856827 /nfs/dbraw/zinc/85/68/27/720856827.db2.gz FCBWIGUMDIURIN-HKUYNNGSSA-N 1 0 402.926 2.971 20 0 HFADRO c1cc2nccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2n1 ZINC001164752982 720867418 /nfs/dbraw/zinc/86/74/18/720867418.db2.gz OAQGPLIHTXBFJU-ZJSXRUAMSA-N 1 0 418.545 2.879 20 0 HFADRO CN(C)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164751524 720869481 /nfs/dbraw/zinc/86/94/81/720869481.db2.gz KRVKELMKNBAFPF-ZJSXRUAMSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ccn4C(C)C)CC[C@@H]2C1 ZINC001164856039 720871307 /nfs/dbraw/zinc/87/13/07/720871307.db2.gz NXRHLGRVVKKTCL-NVXWUHKLSA-N 1 0 407.946 2.839 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC[C@@H]2C1 ZINC001164864462 720872135 /nfs/dbraw/zinc/87/21/35/720872135.db2.gz VWXYKBZZOMWXRD-AEFFLSMTSA-N 1 0 406.527 2.602 20 0 HFADRO CN(C)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164748035 720872733 /nfs/dbraw/zinc/87/27/33/720872733.db2.gz DMUQVXCOEWWDEW-XUZZJYLKSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@H]2C1 ZINC001164863747 720875182 /nfs/dbraw/zinc/87/51/82/720875182.db2.gz UBUXDNQAWMXPSG-PGRDOPGGSA-N 1 0 419.529 2.865 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@H]2C1 ZINC001164853373 720877791 /nfs/dbraw/zinc/87/77/91/720877791.db2.gz CCTHBWZFDQPFAS-YOEHRIQHSA-N 1 0 416.900 2.726 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@H]2C1 ZINC001164864702 720881375 /nfs/dbraw/zinc/88/13/75/720881375.db2.gz WNCUVWTYNKNWBV-UGKGYDQZSA-N 1 0 415.509 2.973 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164864695 720881492 /nfs/dbraw/zinc/88/14/92/720881492.db2.gz WNCUVWTYNKNWBV-DENIHFKCSA-N 1 0 415.509 2.973 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164752271 720961253 /nfs/dbraw/zinc/96/12/53/720961253.db2.gz VKEIPCJQXLLTDD-UHFFFAOYSA-N 1 0 421.501 2.503 20 0 HFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164861268 720964774 /nfs/dbraw/zinc/96/47/74/720964774.db2.gz SGBKUSRJMIQGHZ-AWEZNQCLSA-N 1 0 420.945 2.854 20 0 HFADRO CCOC(=O)/C=C\c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870634 721050188 /nfs/dbraw/zinc/05/01/88/721050188.db2.gz WLGGOHQGVJOOJY-LSORQBDOSA-N 1 0 408.502 2.533 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773497 721074120 /nfs/dbraw/zinc/07/41/20/721074120.db2.gz XJMRZGPHBCQVPV-JKSUJKDBSA-N 1 0 403.914 2.604 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)SCC2 ZINC001164870615 721074384 /nfs/dbraw/zinc/07/43/84/721074384.db2.gz WKXGQVMXGXSYNW-GJZGRUSLSA-N 1 0 403.939 2.653 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164771347 721128168 /nfs/dbraw/zinc/12/81/68/721128168.db2.gz SGQVHTKMCLSLEA-IAGOWNOFSA-N 1 0 417.941 2.912 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC001164762672 721146172 /nfs/dbraw/zinc/14/61/72/721146172.db2.gz DDXRAIGMXNHKLW-UONOGXRCSA-N 1 0 403.943 2.740 20 0 HFADRO COc1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164773730 721151076 /nfs/dbraw/zinc/15/10/76/721151076.db2.gz YUXFDCKEWWSVSA-LSDHHAIUSA-N 1 0 411.884 2.980 20 0 HFADRO Fc1cccc(-c2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876455 721156728 /nfs/dbraw/zinc/15/67/28/721156728.db2.gz MNKKMEVTEWSMAJ-UXHICEINSA-N 1 0 406.465 2.552 20 0 HFADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164875418 721168150 /nfs/dbraw/zinc/16/81/50/721168150.db2.gz LMWKWDNDHGKGAC-RTWAWAEBSA-N 1 0 408.550 2.732 20 0 HFADRO CSc1nc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2s1 ZINC001164765011 721170647 /nfs/dbraw/zinc/17/06/47/721170647.db2.gz HLGFGRDFHACLJZ-KBPBESRZSA-N 1 0 401.565 2.500 20 0 HFADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@@H+]3C2)c1 ZINC001164877024 721176540 /nfs/dbraw/zinc/17/65/40/721176540.db2.gz NYRYRBCZNHKSTJ-WOJBJXKFSA-N 1 0 418.501 2.884 20 0 HFADRO COc1cc(OC)c2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868745 721187729 /nfs/dbraw/zinc/18/77/29/721187729.db2.gz NOWDVFSZWSROHH-IEBWSBKVSA-N 1 0 421.501 2.522 20 0 HFADRO COC(=O)c1cc(Cl)c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1C ZINC001164760506 721236525 /nfs/dbraw/zinc/23/65/25/721236525.db2.gz FIRCPDFGEVWTQT-CVEARBPZSA-N 1 0 403.914 2.522 20 0 HFADRO CCCSc1ncnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1OC ZINC001164760285 721242494 /nfs/dbraw/zinc/24/24/94/721242494.db2.gz DGBCEXYFPIUMFN-DLBZAZTESA-N 1 0 402.568 2.679 20 0 HFADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc21 ZINC001164767989 721296340 /nfs/dbraw/zinc/29/63/40/721296340.db2.gz COAIYYWJZIITRG-UHFFFAOYSA-N 1 0 423.542 2.590 20 0 HFADRO Cc1cccc(N(c2ccc(CN3CCOCC3)cn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778034 721329017 /nfs/dbraw/zinc/32/90/17/721329017.db2.gz TUFFJUWPTMQRTR-UPVQGACJSA-N 1 0 408.546 2.881 20 0 HFADRO c1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164878165 721329748 /nfs/dbraw/zinc/32/97/48/721329748.db2.gz ZBOLDUAVDAUGMW-IBGZPJMESA-N 1 0 417.517 2.993 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886299 721398702 /nfs/dbraw/zinc/39/87/02/721398702.db2.gz DZKCLVAJQNWCGL-DFQSSKMNSA-N 1 0 412.937 2.628 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5[nH]ccc5cc4Cl)C3)O2)CC1 ZINC001164885809 721420229 /nfs/dbraw/zinc/42/02/29/721420229.db2.gz HMVSCWMSCDJIGV-UWJYYQICSA-N 1 0 403.958 2.933 20 0 HFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccccn2)n1 ZINC001164894286 721432409 /nfs/dbraw/zinc/43/24/09/721432409.db2.gz LJVJPGLAIKTOGR-RDPSFJRHSA-N 1 0 422.577 2.612 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1CCC3)CC2 ZINC001164784514 721452672 /nfs/dbraw/zinc/45/26/72/721452672.db2.gz FVSKJQBAISZZDJ-IBGZPJMESA-N 1 0 400.567 2.699 20 0 HFADRO CCOc1nccnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788751 721469775 /nfs/dbraw/zinc/46/97/75/721469775.db2.gz JKKOLGIQGLJJOK-IBGZPJMESA-N 1 0 404.555 2.609 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(C(F)F)nc4ccccc42)CC3)CC1 ZINC001164794415 721519850 /nfs/dbraw/zinc/51/98/50/721519850.db2.gz CXQGZPABSVFDJA-UHFFFAOYSA-N 1 0 413.476 2.532 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(Cl)nc2-c2ccccc2)CC3)CC1 ZINC001164795132 721520088 /nfs/dbraw/zinc/52/00/88/721520088.db2.gz KCDDXYHNUGDIJC-UHFFFAOYSA-N 1 0 423.952 2.761 20 0 HFADRO COCc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164909234 721531646 /nfs/dbraw/zinc/53/16/46/721531646.db2.gz QZJSVSQBJQJFHV-SJLPKXTDSA-N 1 0 404.511 2.826 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ccc12 ZINC001164810629 721543140 /nfs/dbraw/zinc/54/31/40/721543140.db2.gz XKUSSDAHVOOXDG-ZJOUEHCJSA-N 1 0 421.501 2.613 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc-2n1 ZINC001164809421 721571549 /nfs/dbraw/zinc/57/15/49/721571549.db2.gz XETMFEDXMCQLPF-ONTIZHBOSA-N 1 0 421.501 2.613 20 0 HFADRO CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1cc(C[NH+](C)C)ccn1 ZINC001164902840 721578303 /nfs/dbraw/zinc/57/83/03/721578303.db2.gz JGNHTSMDNVAKCO-NRFANRHFSA-N 1 0 413.566 2.907 20 0 HFADRO C[C@H]1C(=O)Nc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164905680 721709585 /nfs/dbraw/zinc/70/95/85/721709585.db2.gz IJXWJGHLAAVYNG-JLTOFOAXSA-N 1 0 414.460 2.665 20 0 HFADRO Cc1cc(C(N)=O)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912784 721735623 /nfs/dbraw/zinc/73/56/23/721735623.db2.gz QBQOLHFIRLEPQT-HXUWFJFHSA-N 1 0 401.461 2.622 20 0 HFADRO Cc1nc(C)c(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)s1 ZINC001165012330 721747689 /nfs/dbraw/zinc/74/76/89/721747689.db2.gz GECJCYXPSCLROP-UHFFFAOYSA-N 1 0 414.579 2.740 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CC4)nn3)C[C@@H]21 ZINC001165030198 721827292 /nfs/dbraw/zinc/82/72/92/721827292.db2.gz YTQALYIZMJZERE-NBHGPNQESA-N 1 0 406.534 2.501 20 0 HFADRO Cc1nc(CN2CCOC[C@]3(CN(c4cc(OC(C)C)cc[nH+]4)CCO3)C2)cs1 ZINC001164920380 721829026 /nfs/dbraw/zinc/82/90/26/721829026.db2.gz CQIZSTDYDZVOOD-OAQYLSRUSA-N 1 0 418.563 2.742 20 0 HFADRO CCOC(=O)c1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ncn1 ZINC001165023450 721839891 /nfs/dbraw/zinc/83/98/91/721839891.db2.gz YAROADJIGRKBCW-UHFFFAOYSA-N 1 0 414.506 2.771 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923596 721853931 /nfs/dbraw/zinc/85/39/31/721853931.db2.gz AXLJZKGWQBLEHG-MSOLQXFVSA-N 1 0 405.974 2.576 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927934 721866446 /nfs/dbraw/zinc/86/64/46/721866446.db2.gz XGQQDMDARFNSOH-NHCUHLMSSA-N 1 0 408.525 2.833 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926007 721876472 /nfs/dbraw/zinc/87/64/72/721876472.db2.gz PUQFOLFHQUHXJN-CVEARBPZSA-N 1 0 415.542 2.520 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1c(Cl)nnc(Cl)c1N1CCCCC1 ZINC001164932787 721890982 /nfs/dbraw/zinc/89/09/82/721890982.db2.gz IHMRMCUYCIGXBA-LSDHHAIUSA-N 1 0 413.397 2.988 20 0 HFADRO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952066 722015991 /nfs/dbraw/zinc/01/59/91/722015991.db2.gz GSJGYPSXKGFNPM-UHFFFAOYSA-N 1 0 415.925 2.733 20 0 HFADRO COC(=O)c1nc2cnccc2c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955293 722018706 /nfs/dbraw/zinc/01/87/06/722018706.db2.gz DMJNFHYMCZELQC-UHFFFAOYSA-N 1 0 418.501 2.699 20 0 HFADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164968038 722070377 /nfs/dbraw/zinc/07/03/77/722070377.db2.gz YWOBQIBJDBWFAH-HDICACEKSA-N 1 0 424.936 2.827 20 0 HFADRO O=C(NC1CCCC1)c1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c(Cl)c1 ZINC001164967446 722075762 /nfs/dbraw/zinc/07/57/62/722075762.db2.gz QIYVEJOYGVIWPZ-HDICACEKSA-N 1 0 404.942 2.707 20 0 HFADRO FC(F)(c1cc(Cl)ncn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978225 722099106 /nfs/dbraw/zinc/09/91/06/722099106.db2.gz GGPDFVPBPVEUQB-HOTGVXAUSA-N 1 0 409.868 2.797 20 0 HFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980732 722104605 /nfs/dbraw/zinc/10/46/05/722104605.db2.gz KBVYDDJJDIFGSP-FXAWDEMLSA-N 1 0 414.481 2.520 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C)c1 ZINC001164981822 722108762 /nfs/dbraw/zinc/10/87/62/722108762.db2.gz VGFWTRAIIUSVPE-CTNGQTDRSA-N 1 0 410.518 2.689 20 0 HFADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CSC2 ZINC001164982734 722108792 /nfs/dbraw/zinc/10/87/92/722108792.db2.gz XUTALWWDVLBPBJ-QAPCUYQASA-N 1 0 417.966 2.999 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973311 722117078 /nfs/dbraw/zinc/11/70/78/722117078.db2.gz GZOIQFXOOPRKLX-RDJZCZTQSA-N 1 0 405.955 2.974 20 0 HFADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972485 722118661 /nfs/dbraw/zinc/11/86/61/722118661.db2.gz FRHWDUZJBQCDHZ-QRFRQXIXSA-N 1 0 406.889 2.985 20 0 HFADRO FC(F)(c1cncc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978863 722133736 /nfs/dbraw/zinc/13/37/36/722133736.db2.gz KBQKMFIQDIMGNI-HOTGVXAUSA-N 1 0 409.868 2.797 20 0 HFADRO CC1CCN(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164972811 722142689 /nfs/dbraw/zinc/14/26/89/722142689.db2.gz APSQIFURBVNKHI-YADHBBJMSA-N 1 0 422.577 2.835 20 0 HFADRO CC1CCN(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164972805 722142751 /nfs/dbraw/zinc/14/27/51/722142751.db2.gz APSQIFURBVNKHI-FGZHOGPDSA-N 1 0 422.577 2.835 20 0 HFADRO Cc1noc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)n1 ZINC001164979577 722145259 /nfs/dbraw/zinc/14/52/59/722145259.db2.gz LGECFDPDBKHJKS-WOJBJXKFSA-N 1 0 406.490 2.562 20 0 HFADRO [O-][n+]1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001164976216 722157506 /nfs/dbraw/zinc/15/75/06/722157506.db2.gz UZTNZMUTTUAHGS-SJLPKXTDSA-N 1 0 424.879 2.641 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(OCc3ccccc3)cnn1)CCC2 ZINC001165001651 722254490 /nfs/dbraw/zinc/25/44/90/722254490.db2.gz FEGVNFLYUICFID-UHFFFAOYSA-N 1 0 422.533 2.741 20 0 HFADRO O=C(Cc1cccc(F)c1)NCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000790468904 1078045348 /nfs/dbraw/zinc/04/53/48/1078045348.db2.gz CUOXPHDDQYSYEL-UHFFFAOYSA-N 1 0 413.493 2.875 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)nc1Br ZINC000793002913 1078045698 /nfs/dbraw/zinc/04/56/98/1078045698.db2.gz GWOVWDUUSWTLFB-UHFFFAOYSA-N 1 0 409.328 2.568 20 0 HFADRO COC(=O)N1CCC([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)CC1 ZINC000790506150 1078047234 /nfs/dbraw/zinc/04/72/34/1078047234.db2.gz MLWHVZJFARRGRY-QGZVFWFLSA-N 1 0 420.554 2.635 20 0 HFADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)Nc3cccc(Br)n3)CC2)CC1 ZINC000793015152 1078049728 /nfs/dbraw/zinc/04/97/28/1078049728.db2.gz KIJJJBIOUWFLJK-UHFFFAOYSA-N 1 0 423.355 2.942 20 0 HFADRO Clc1c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cnn1Cc1ccccc1 ZINC000790530619 1078051974 /nfs/dbraw/zinc/05/19/74/1078051974.db2.gz KBXMETPPFIWKPB-HXUWFJFHSA-N 1 0 406.983 2.882 20 0 HFADRO C[C@]1(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793037470 1078053561 /nfs/dbraw/zinc/05/35/61/1078053561.db2.gz HAOLNPSPVMPFBQ-KNQAVFIVSA-N 1 0 400.523 2.571 20 0 HFADRO CC(C)(C)OC(=O)NCCC[N@H+](C[C@H](O)CC1(O)CCOCC1)CC1CCCC1 ZINC001170139620 1078055897 /nfs/dbraw/zinc/05/58/97/1078055897.db2.gz LMQNBHAOPDSVTO-LJQANCHMSA-N 1 0 414.587 2.686 20 0 HFADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000793091033 1078066892 /nfs/dbraw/zinc/06/68/92/1078066892.db2.gz HJAFDQPDJQTZGD-QAPCUYQASA-N 1 0 414.333 2.608 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000790577161 1078067016 /nfs/dbraw/zinc/06/70/16/1078067016.db2.gz RTGVTJGLXGKEQF-QGZVFWFLSA-N 1 0 413.971 2.730 20 0 HFADRO CCC[NH+]1CCC(NC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000793057746 1078068152 /nfs/dbraw/zinc/06/81/52/1078068152.db2.gz AECOJLGYMGBJNF-QFIPXVFZSA-N 1 0 402.539 2.961 20 0 HFADRO CCOC(=O)N1CCC([NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CC1 ZINC000790609225 1078074673 /nfs/dbraw/zinc/07/46/73/1078074673.db2.gz JXHFVGYQHHILIW-JOCHJYFZSA-N 1 0 414.506 2.622 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000793096163 1078074666 /nfs/dbraw/zinc/07/46/66/1078074666.db2.gz FYASUPKXCFINRL-UHFFFAOYSA-N 1 0 411.502 2.561 20 0 HFADRO COc1cccc(NC(=O)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1F ZINC000793098504 1078075079 /nfs/dbraw/zinc/07/50/79/1078075079.db2.gz WSKWPDYYNWEHGZ-UHFFFAOYSA-N 1 0 415.465 2.562 20 0 HFADRO COC(=O)c1cn(CC[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)nn1 ZINC000790615642 1078077407 /nfs/dbraw/zinc/07/74/07/1078077407.db2.gz WEUGAPOJAKCZOG-UHFFFAOYSA-N 1 0 402.886 2.817 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1 ZINC000793109631 1078081015 /nfs/dbraw/zinc/08/10/15/1078081015.db2.gz TXYPRRNNKBJZBF-SFHVURJKSA-N 1 0 418.925 2.772 20 0 HFADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(CCO)Cc1cccnc1Cl ZINC000793139244 1078088847 /nfs/dbraw/zinc/08/88/47/1078088847.db2.gz YVWGGFCMHYJMLW-UHFFFAOYSA-N 1 0 403.914 2.551 20 0 HFADRO O=C(OCC1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793176020 1078094685 /nfs/dbraw/zinc/09/46/85/1078094685.db2.gz BUKMHZCYVLZNJG-LJQANCHMSA-N 1 0 403.500 2.996 20 0 HFADRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@@H](C)O1 ZINC000793183155 1078096122 /nfs/dbraw/zinc/09/61/22/1078096122.db2.gz DVIMNHFJYCLCCI-SFHLNBCPSA-N 1 0 417.550 2.745 20 0 HFADRO Cc1ccc(CN2CC[C@H](NC(=O)N(CCc3ccccc3)CC[NH+](C)C)C2=O)cc1 ZINC000790696440 1078098708 /nfs/dbraw/zinc/09/87/08/1078098708.db2.gz JFQBGHWIRIDLSH-QHCPKHFHSA-N 1 0 422.573 2.912 20 0 HFADRO COc1cc(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)cc(Br)c1OC ZINC000793205811 1078105245 /nfs/dbraw/zinc/10/52/45/1078105245.db2.gz QYYSPVSOWPGFMW-CYBMUJFWSA-N 1 0 402.285 2.732 20 0 HFADRO COCC1(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790770394 1078111174 /nfs/dbraw/zinc/11/11/74/1078111174.db2.gz QSTUMVVYLCPWJC-IRXDYDNUSA-N 1 0 424.586 2.575 20 0 HFADRO COCC1(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793273710 1078116035 /nfs/dbraw/zinc/11/60/35/1078116035.db2.gz QGFBMUXUTOXQIW-SFHVURJKSA-N 1 0 411.587 2.887 20 0 HFADRO C[C@@H](NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1nnnn1C1CC1 ZINC000790726651 1078117106 /nfs/dbraw/zinc/11/71/06/1078117106.db2.gz IIIQOCHGKJJBNS-QGZVFWFLSA-N 1 0 409.538 2.767 20 0 HFADRO C[NH+](C)CCCNC(=S)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000793284627 1078117948 /nfs/dbraw/zinc/11/79/48/1078117948.db2.gz BHEGSBPDNFTIGB-UXHICEINSA-N 1 0 418.607 2.840 20 0 HFADRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 ZINC000747113435 1078138388 /nfs/dbraw/zinc/13/83/88/1078138388.db2.gz WYQWMUNWMHTYNI-GOSISDBHSA-N 1 0 405.539 2.938 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000793383526 1078161675 /nfs/dbraw/zinc/16/16/75/1078161675.db2.gz OYYDHVKSGTUICC-GKJHBJHPSA-N 1 0 400.567 2.751 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000793461533 1078179617 /nfs/dbraw/zinc/17/96/17/1078179617.db2.gz MZWBWELAAYEUFH-CQSZACIVSA-N 1 0 418.579 2.937 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)Cc3cnn(-c4ccccc4)n3)cc2)CC1 ZINC000793489528 1078191486 /nfs/dbraw/zinc/19/14/86/1078191486.db2.gz ZDIVLKMWMFQXDK-UHFFFAOYSA-N 1 0 405.502 2.599 20 0 HFADRO CN1CC[NH+](CC2(C)CCN(CN3CC[C@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793512551 1078196126 /nfs/dbraw/zinc/19/61/26/1078196126.db2.gz STFMYKDSJFTYBN-QHCPKHFHSA-N 1 0 412.622 2.775 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000793521505 1078198578 /nfs/dbraw/zinc/19/85/78/1078198578.db2.gz YHPZIOLNSYLJJT-DHIUTWEWSA-N 1 0 409.530 2.950 20 0 HFADRO Cc1cc(C)c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1C=O ZINC000793493139 1078201028 /nfs/dbraw/zinc/20/10/28/1078201028.db2.gz IEOWMNUSQYKMBN-UHFFFAOYSA-N 1 0 413.562 2.960 20 0 HFADRO COC(=O)c1cn(CC[NH2+][C@@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)nn1 ZINC000793569900 1078208083 /nfs/dbraw/zinc/20/80/83/1078208083.db2.gz QWBMMYFHHZEJSE-JKSUJKDBSA-N 1 0 409.531 2.613 20 0 HFADRO C[NH+](C)CCN(C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C1CCCC1 ZINC000793498962 1078203668 /nfs/dbraw/zinc/20/36/68/1078203668.db2.gz QHUMGNJLERROTO-OYRHEFFESA-N 1 0 424.545 2.911 20 0 HFADRO C[C@]12CCN(CN3C(=O)N[C@@]4(CCC[N@H+](Cc5ccccc5)C4)C3=O)C[C@H]1C2(F)F ZINC000793536312 1078206302 /nfs/dbraw/zinc/20/63/02/1078206302.db2.gz YMTNLILKKVAFRG-JRGCBEDISA-N 1 0 418.488 2.508 20 0 HFADRO CCOC(=O)NCC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000793596657 1078219291 /nfs/dbraw/zinc/21/92/91/1078219291.db2.gz WRROKDOKHPEVFJ-MRXNPFEDSA-N 1 0 401.429 2.646 20 0 HFADRO CN1CCC(CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)([NH+]2CCCCC2)CC1 ZINC000793573879 1078225693 /nfs/dbraw/zinc/22/56/93/1078225693.db2.gz BJJHZDPAFBAZSP-GOSISDBHSA-N 1 0 422.614 2.698 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000793630321 1078233244 /nfs/dbraw/zinc/23/32/44/1078233244.db2.gz KPTSCQHJSCIJTB-RBUKOAKNSA-N 1 0 415.578 2.859 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000793636939 1078236970 /nfs/dbraw/zinc/23/69/70/1078236970.db2.gz KSMDNHPFEUFRKP-MRXNPFEDSA-N 1 0 417.937 2.600 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000793684403 1078254166 /nfs/dbraw/zinc/25/41/66/1078254166.db2.gz AMYRHPRDNWUBNW-WOIUINJBSA-N 1 0 409.530 2.597 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793684110 1078254576 /nfs/dbraw/zinc/25/45/76/1078254576.db2.gz SOQOSFGMGLDMKT-FPOVZHCZSA-N 1 0 409.530 2.599 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793686064 1078256119 /nfs/dbraw/zinc/25/61/19/1078256119.db2.gz CZVLFNNIPFBBET-MJUUVYJYSA-N 1 0 422.529 2.521 20 0 HFADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1Cn1nc2cnccn2c1=O ZINC000793726790 1078268338 /nfs/dbraw/zinc/26/83/38/1078268338.db2.gz ZBXNTQAAKGZNMK-OAQYLSRUSA-N 1 0 408.550 2.514 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)[NH+]1CCCCC1 ZINC000793714855 1078262372 /nfs/dbraw/zinc/26/23/72/1078262372.db2.gz UNPFEMNSQLOSNY-MRXNPFEDSA-N 1 0 414.481 2.620 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N(C)CCCc1cc(-c2ccccc2)no1)[NH+]1CCCCC1 ZINC000793717542 1078264143 /nfs/dbraw/zinc/26/41/43/1078264143.db2.gz MMOJMLWEGXONDG-SFHVURJKSA-N 1 0 412.534 2.723 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000793692486 1078270061 /nfs/dbraw/zinc/27/00/61/1078270061.db2.gz ZNTBAFYKAGJGDF-HLIPFELVSA-N 1 0 415.559 2.831 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000793694323 1078270289 /nfs/dbraw/zinc/27/02/89/1078270289.db2.gz HEWMAUINDJISHD-ZWKOTPCHSA-N 1 0 415.559 2.660 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000793695334 1078270930 /nfs/dbraw/zinc/27/09/30/1078270930.db2.gz NLNZUBBXXUPAOQ-LJQANCHMSA-N 1 0 409.530 2.599 20 0 HFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)nc2)C1 ZINC000793695901 1078271879 /nfs/dbraw/zinc/27/18/79/1078271879.db2.gz BUQXRQZLADOOKC-SJLPKXTDSA-N 1 0 417.554 2.806 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)[NH+]1CCCCC1 ZINC000793697055 1078271957 /nfs/dbraw/zinc/27/19/57/1078271957.db2.gz GLJMMZKJOXMGGC-CVEARBPZSA-N 1 0 405.514 2.782 20 0 HFADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)nc2)C1 ZINC000793695899 1078271973 /nfs/dbraw/zinc/27/19/73/1078271973.db2.gz BUQXRQZLADOOKC-AEFFLSMTSA-N 1 0 417.554 2.806 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000793698003 1078272545 /nfs/dbraw/zinc/27/25/45/1078272545.db2.gz SVIOAUSDELXBJU-PMACEKPBSA-N 1 0 401.551 2.541 20 0 HFADRO C[NH+]1CCC2(CCCN2C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793760130 1078280037 /nfs/dbraw/zinc/28/00/37/1078280037.db2.gz MITZYTNZTBEHFL-WOJBJXKFSA-N 1 0 422.529 2.665 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001170436730 1078281104 /nfs/dbraw/zinc/28/11/04/1078281104.db2.gz KJJSBFYOPJNTIF-ZVVDCOBXSA-N 1 0 416.518 2.627 20 0 HFADRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000747146284 1078285630 /nfs/dbraw/zinc/28/56/30/1078285630.db2.gz NOLJAGMOBIAGLM-GSEOLPGOSA-N 1 0 419.591 2.765 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2F)CC1 ZINC000793740209 1078286493 /nfs/dbraw/zinc/28/64/93/1078286493.db2.gz GNFIEBIXGLVARW-UHFFFAOYSA-N 1 0 414.319 2.584 20 0 HFADRO Cc1cc(C)c(N2C[C@H](C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)CC2=O)c(C)c1 ZINC000747146233 1078289697 /nfs/dbraw/zinc/28/96/97/1078289697.db2.gz MLKNOQIXAHSLLU-IVAOSVALSA-N 1 0 413.562 2.675 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747145270 1078290157 /nfs/dbraw/zinc/29/01/57/1078290157.db2.gz JEAVLMRUILOJQF-QYZOEREBSA-N 1 0 409.571 2.734 20 0 HFADRO O=C(NCC1CCCCCCC1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000793749871 1078290592 /nfs/dbraw/zinc/29/05/92/1078290592.db2.gz NDPWOGGYCNDNIS-UHFFFAOYSA-N 1 0 407.599 2.814 20 0 HFADRO CC1CC[NH+]([C@H](CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)c2ccccc2)CC1 ZINC000793782335 1078292699 /nfs/dbraw/zinc/29/26/99/1078292699.db2.gz GOEMRBZJNNPOCB-JTHBVZDNSA-N 1 0 420.557 2.987 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000793782058 1078292723 /nfs/dbraw/zinc/29/27/23/1078292723.db2.gz QSUNTYIXDHPRII-IBGZPJMESA-N 1 0 411.546 2.989 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793798888 1078301697 /nfs/dbraw/zinc/30/16/97/1078301697.db2.gz MKTIZAIUCGUWFJ-CJFMBICVSA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000793790818 1078298105 /nfs/dbraw/zinc/29/81/05/1078298105.db2.gz NYBIYSUPRAWQNE-FHWLQOOXSA-N 1 0 401.551 2.648 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)C2)C1 ZINC000793771026 1078307042 /nfs/dbraw/zinc/30/70/42/1078307042.db2.gz ZVCWELJOFMXTGY-JWQCQUIFSA-N 1 0 418.541 2.662 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793777067 1078308795 /nfs/dbraw/zinc/30/87/95/1078308795.db2.gz DCYGHTVEDOXQSB-TZIWHRDSSA-N 1 0 409.530 2.611 20 0 HFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000793839377 1078311021 /nfs/dbraw/zinc/31/10/21/1078311021.db2.gz CVPNVWCIJLLFLK-UNMCSNQZSA-N 1 0 421.541 2.525 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@H](C)c3ccc(C)s3)CCCC2)CC1 ZINC000793846739 1078313728 /nfs/dbraw/zinc/31/37/28/1078313728.db2.gz JGDSROYHWGDTNY-MRXNPFEDSA-N 1 0 407.580 2.774 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000793931370 1078341136 /nfs/dbraw/zinc/34/11/36/1078341136.db2.gz NIAREJMYPBZDGD-CRAIPNDOSA-N 1 0 400.910 2.645 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793905010 1078334070 /nfs/dbraw/zinc/33/40/70/1078334070.db2.gz ZCQXTOYEDCTNGF-LQWHRVPQSA-N 1 0 401.551 2.507 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)CCC2 ZINC000793910381 1078335433 /nfs/dbraw/zinc/33/54/33/1078335433.db2.gz JRGJJQAPHXAYKP-FUHWJXTLSA-N 1 0 403.571 2.584 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000793912647 1078335911 /nfs/dbraw/zinc/33/59/11/1078335911.db2.gz ZXAOPTLSSUQIGG-KURKYZTESA-N 1 0 421.607 2.789 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)CCC2 ZINC000793913725 1078336833 /nfs/dbraw/zinc/33/68/33/1078336833.db2.gz IWWNZYHQWGDPNN-LMMKCTJWSA-N 1 0 417.598 2.830 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000793932437 1078341764 /nfs/dbraw/zinc/34/17/64/1078341764.db2.gz UANZSGKKTGMLAK-PMOQBDJRSA-N 1 0 423.557 2.829 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000793930203 1078340964 /nfs/dbraw/zinc/34/09/64/1078340964.db2.gz JQHLGZKFRANIFO-GHTZIAJQSA-N 1 0 408.546 2.711 20 0 HFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000793900106 1078343876 /nfs/dbraw/zinc/34/38/76/1078343876.db2.gz FJDCBQOXHPIVRO-QLFBSQMISA-N 1 0 415.456 2.999 20 0 HFADRO CN(C(=O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793952606 1078345709 /nfs/dbraw/zinc/34/57/09/1078345709.db2.gz SQZZUMDBFGKBRS-SESVDKBCSA-N 1 0 420.642 2.582 20 0 HFADRO CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000794114384 1078374040 /nfs/dbraw/zinc/37/40/40/1078374040.db2.gz TYQBXMXXJJBRRE-UHFFFAOYSA-N 1 0 409.534 2.852 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001170443957 1078392006 /nfs/dbraw/zinc/39/20/06/1078392006.db2.gz SATLEKJWJASPPC-AUSIDOKSSA-N 1 0 410.518 2.898 20 0 HFADRO CS(=O)(=O)c1ccc(Br)c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000794209299 1078393561 /nfs/dbraw/zinc/39/35/61/1078393561.db2.gz KIYVVPRUNXABQR-UHFFFAOYSA-N 1 0 415.353 2.599 20 0 HFADRO Cc1c(NC(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)cccc1N1C(=O)CNC1=O ZINC000794276688 1078398973 /nfs/dbraw/zinc/39/89/73/1078398973.db2.gz RIPQAMLZNWYOBW-FMIVXFBMSA-N 1 0 422.485 2.644 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001170445169 1078403599 /nfs/dbraw/zinc/40/35/99/1078403599.db2.gz WAWVDAQGVRDDTP-MSYCTHLASA-N 1 0 400.519 2.601 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000794337798 1078418848 /nfs/dbraw/zinc/41/88/48/1078418848.db2.gz AGKHOKVOTCPVFG-UHFFFAOYSA-N 1 0 403.482 2.675 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000794337886 1078418866 /nfs/dbraw/zinc/41/88/66/1078418866.db2.gz CGSOPYPWKCVDQU-INIZCTEOSA-N 1 0 404.511 2.528 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000794338975 1078419146 /nfs/dbraw/zinc/41/91/46/1078419146.db2.gz KBTFEDUJPZETSZ-HXUWFJFHSA-N 1 0 422.529 2.915 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000794383733 1078432756 /nfs/dbraw/zinc/43/27/56/1078432756.db2.gz PMHANTNPYSUJRX-OALUTQOASA-N 1 0 405.539 2.547 20 0 HFADRO CSC1(CNC(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)CC[NH+](C)CC1 ZINC001129413092 1078445720 /nfs/dbraw/zinc/44/57/20/1078445720.db2.gz BPTRQAKRVPNSCV-SFHVURJKSA-N 1 0 413.591 2.760 20 0 HFADRO CSC1(CNC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001129413953 1078446233 /nfs/dbraw/zinc/44/62/33/1078446233.db2.gz YGRSDORLOWWIOL-HUUCEWRRSA-N 1 0 403.564 2.525 20 0 HFADRO CC[N@@H+]1CCN(C(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)[C@H](C)C1 ZINC000804379262 1078454726 /nfs/dbraw/zinc/45/47/26/1078454726.db2.gz ITKXSNGDEFMLKU-SJKOYZFVSA-N 1 0 401.454 2.989 20 0 HFADRO CCC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(S(N)(=O)=O)c1 ZINC000804398809 1078463002 /nfs/dbraw/zinc/46/30/02/1078463002.db2.gz TXGCRHVNGBILDT-QGZVFWFLSA-N 1 0 407.580 2.875 20 0 HFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001170451458 1078492719 /nfs/dbraw/zinc/49/27/19/1078492719.db2.gz KDBCNEMGRNENKD-QGZVFWFLSA-N 1 0 400.386 2.887 20 0 HFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc2ncc(Br)cn2n1 ZINC001129508366 1078500562 /nfs/dbraw/zinc/50/05/62/1078500562.db2.gz UDHDCHMVNYDEIM-CYBMUJFWSA-N 1 0 402.296 2.742 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC001129807862 1078505115 /nfs/dbraw/zinc/50/51/15/1078505115.db2.gz FLZPIJUPBOWBKC-UHFFFAOYSA-N 1 0 420.355 2.538 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000804442732 1078509174 /nfs/dbraw/zinc/50/91/74/1078509174.db2.gz LORAKBCCSZXMGK-UHFFFAOYSA-N 1 0 411.493 2.580 20 0 HFADRO CCc1nn(C)c(Cl)c1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446614 1078513214 /nfs/dbraw/zinc/51/32/14/1078513214.db2.gz LSIJIIWYQGXEQX-SFHVURJKSA-N 1 0 415.969 2.668 20 0 HFADRO COc1ccc(/C=C\C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1O ZINC000804448898 1078516343 /nfs/dbraw/zinc/51/63/43/1078516343.db2.gz RDJYZLRYJBEIDN-XGEAVTJYSA-N 1 0 421.541 2.833 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC001129801899 1078525939 /nfs/dbraw/zinc/52/59/39/1078525939.db2.gz SOFCYGSJCWPEMB-HNNXBMFYSA-N 1 0 406.577 2.869 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000804514967 1078556090 /nfs/dbraw/zinc/55/60/90/1078556090.db2.gz PLVNXHGWMNLUJH-HSZRJFAPSA-N 1 0 408.546 2.728 20 0 HFADRO CCC(=O)c1ccc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804527986 1078566423 /nfs/dbraw/zinc/56/64/23/1078566423.db2.gz WIMOTESAUOFOIY-GOSISDBHSA-N 1 0 415.559 2.885 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)/C=C/c3ccc(Cl)nc3)cc2)CC1 ZINC001129872877 1078569727 /nfs/dbraw/zinc/56/97/27/1078569727.db2.gz SUWXLNKYEVQUEZ-SOFGYWHQSA-N 1 0 412.921 2.762 20 0 HFADRO C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C[NH+](C)C ZINC001129600506 1078574244 /nfs/dbraw/zinc/57/42/44/1078574244.db2.gz NDRQLSQQKKKTGM-FUHWJXTLSA-N 1 0 407.555 2.941 20 0 HFADRO CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000804535180 1078582798 /nfs/dbraw/zinc/58/27/98/1078582798.db2.gz ISJPXWMCRZQEJP-JOCHJYFZSA-N 1 0 416.518 2.967 20 0 HFADRO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001129933637 1078598871 /nfs/dbraw/zinc/59/88/71/1078598871.db2.gz YFHHLSJBUKRANH-QUCCMNQESA-N 1 0 423.513 2.588 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000804567440 1078601807 /nfs/dbraw/zinc/60/18/07/1078601807.db2.gz NEOWLYPEZYVGLE-UHFFFAOYSA-N 1 0 402.507 2.950 20 0 HFADRO COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000804564768 1078599586 /nfs/dbraw/zinc/59/95/86/1078599586.db2.gz MSHSBQBADQAJOL-REOARJMMSA-N 1 0 415.534 2.996 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000804779091 1078604549 /nfs/dbraw/zinc/60/45/49/1078604549.db2.gz QICTZDIFSKHISS-KRWDZBQOSA-N 1 0 411.543 2.605 20 0 HFADRO O=C(Nc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1)Nc1ccccc1 ZINC000747214715 1078634330 /nfs/dbraw/zinc/63/43/30/1078634330.db2.gz AQXRGNIPXRPLFN-HOTGVXAUSA-N 1 0 400.504 2.985 20 0 HFADRO COC(=O)c1cnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C(F)(F)F ZINC000804578829 1078636131 /nfs/dbraw/zinc/63/61/31/1078636131.db2.gz LBUHHVCNJMRQRR-YIONKMFJSA-N 1 0 412.456 2.634 20 0 HFADRO Cc1noc(-c2ccc(N3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)nc2)n1 ZINC000804808772 1078636915 /nfs/dbraw/zinc/63/69/15/1078636915.db2.gz YOKCNQOLLLDNIS-OAQYLSRUSA-N 1 0 404.518 2.837 20 0 HFADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001129685253 1078648454 /nfs/dbraw/zinc/64/84/54/1078648454.db2.gz RHGUQBKQIJDMPG-SFHVURJKSA-N 1 0 414.550 2.841 20 0 HFADRO CSC[C@@H](C)C(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC001129700126 1078659561 /nfs/dbraw/zinc/65/95/61/1078659561.db2.gz HHUOPOUXDBEFKD-MRXNPFEDSA-N 1 0 411.637 2.876 20 0 HFADRO Brc1cnc2nc(CN3CCC([NH2+]Cc4ccccc4)CC3)nn2c1 ZINC001170468290 1078657664 /nfs/dbraw/zinc/65/76/64/1078657664.db2.gz BXOJCQDWHNATPI-UHFFFAOYSA-N 1 0 401.312 2.641 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000804833135 1078674249 /nfs/dbraw/zinc/67/42/49/1078674249.db2.gz HVEYXVRQXJYKTR-VWLOTQADSA-N 1 0 422.573 2.930 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCc2ccc(C[S@](C)=O)cc2)cc1 ZINC000804862885 1078688861 /nfs/dbraw/zinc/68/88/61/1078688861.db2.gz RVPXMXYKBQUTKK-SLEXVKPNSA-N 1 0 400.544 2.835 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643011 1078695969 /nfs/dbraw/zinc/69/59/69/1078695969.db2.gz CEVSZZWYQVDYDC-LPHOPBHVSA-N 1 0 414.937 2.863 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000747219810 1078700770 /nfs/dbraw/zinc/70/07/70/1078700770.db2.gz BKDQARHFNISGNU-INIZCTEOSA-N 1 0 403.552 2.575 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)o1 ZINC000804633026 1078712575 /nfs/dbraw/zinc/71/25/75/1078712575.db2.gz IYDCHTJDODEEEJ-IAGOWNOFSA-N 1 0 407.511 2.631 20 0 HFADRO COC(=O)c1ccc2c(c1)nc(CN1CCC([NH2+]Cc3ccccc3)CC1)[nH]c2=O ZINC001170469664 1078726750 /nfs/dbraw/zinc/72/67/50/1078726750.db2.gz PWRPNWYQOASGQT-UHFFFAOYSA-N 1 0 406.486 2.876 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000804663474 1078732939 /nfs/dbraw/zinc/73/29/39/1078732939.db2.gz OFTMHNGSOHNRON-OAQYLSRUSA-N 1 0 416.566 2.668 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000804943240 1078770536 /nfs/dbraw/zinc/77/05/36/1078770536.db2.gz BDAMALPWJJVKEO-KRWDZBQOSA-N 1 0 412.534 2.682 20 0 HFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CC1 ZINC000804943398 1078770587 /nfs/dbraw/zinc/77/05/87/1078770587.db2.gz HRJCMTCBRGXQCB-AZUAARDMSA-N 1 0 406.530 2.739 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)no1 ZINC000804944394 1078771750 /nfs/dbraw/zinc/77/17/50/1078771750.db2.gz PWDLBMPDWKAUDI-UWJYYQICSA-N 1 0 410.518 2.988 20 0 HFADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804950439 1078778549 /nfs/dbraw/zinc/77/85/49/1078778549.db2.gz BBOOPGOCTWXJMQ-WOYTXXSLSA-N 1 0 420.520 2.841 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000804926679 1078782787 /nfs/dbraw/zinc/78/27/87/1078782787.db2.gz NKSMDZFWIYYMFT-UXHICEINSA-N 1 0 402.539 2.809 20 0 HFADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@]1(F)CCS(=O)(=O)C1 ZINC001130031236 1078806813 /nfs/dbraw/zinc/80/68/13/1078806813.db2.gz DCAHPOGHNORRAH-SFHVURJKSA-N 1 0 400.541 2.730 20 0 HFADRO O=C(NCCn1cc(Br)cn1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000805015271 1078826845 /nfs/dbraw/zinc/82/68/45/1078826845.db2.gz ZUCSGAXPJFDTEW-UHFFFAOYSA-N 1 0 412.376 2.990 20 0 HFADRO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000805015265 1078826868 /nfs/dbraw/zinc/82/68/68/1078826868.db2.gz ZRZUGRHRYJSEQC-GOSISDBHSA-N 1 0 420.520 2.593 20 0 HFADRO C[C@@H](NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc[nH]1 ZINC000805018631 1078830000 /nfs/dbraw/zinc/83/00/00/1078830000.db2.gz PYINDOWDSFCTPO-OAHLLOKOSA-N 1 0 402.926 2.874 20 0 HFADRO COC(=O)N1CCC[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000805051230 1078865387 /nfs/dbraw/zinc/86/53/87/1078865387.db2.gz UFMMWUJLUGQHHP-KNQAVFIVSA-N 1 0 400.523 2.525 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)c(I)c1 ZINC000747229008 1078887858 /nfs/dbraw/zinc/88/78/58/1078887858.db2.gz IHDDTOHVGMWPDN-NWDGAFQWSA-N 1 0 420.678 2.538 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(F)cc1Cl ZINC000805111554 1078896078 /nfs/dbraw/zinc/89/60/78/1078896078.db2.gz YGRXYPNGRUQBNV-NHYWBVRUSA-N 1 0 404.891 2.513 20 0 HFADRO Cc1nc(Cl)ccc1S(=O)(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000805093786 1078919754 /nfs/dbraw/zinc/91/97/54/1078919754.db2.gz KZZBYYLDGJBWJB-UHFFFAOYSA-N 1 0 409.939 2.995 20 0 HFADRO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000805136545 1078934145 /nfs/dbraw/zinc/93/41/45/1078934145.db2.gz GHRVAAWVSDTULX-KRWDZBQOSA-N 1 0 415.456 2.683 20 0 HFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001130097612 1078947641 /nfs/dbraw/zinc/94/76/41/1078947641.db2.gz BITVCTCGHRTUBG-KRWDZBQOSA-N 1 0 403.910 2.747 20 0 HFADRO COC[C@@]1(CNC(=O)NCC2([NH+](C)C)CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805178800 1078963924 /nfs/dbraw/zinc/96/39/24/1078963924.db2.gz YTPWWCSMSJOEHT-NRFANRHFSA-N 1 0 412.575 2.576 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000805179814 1078964153 /nfs/dbraw/zinc/96/41/53/1078964153.db2.gz RVOCSZJEIVFSRA-PKTZIBPZSA-N 1 0 410.562 2.570 20 0 HFADRO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cnn1-c1ccc(Br)cc1 ZINC000747231430 1078966748 /nfs/dbraw/zinc/96/67/48/1078966748.db2.gz KNFFVISDISQQDT-IAGOWNOFSA-N 1 0 419.323 2.536 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805195946 1078969983 /nfs/dbraw/zinc/96/99/83/1078969983.db2.gz HENGMCQAVNKXCR-XMMPIXPASA-N 1 0 408.546 2.644 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)no1 ZINC000805197544 1078971008 /nfs/dbraw/zinc/97/10/08/1078971008.db2.gz FWCLAWUPEQQOJK-REWPJTCUSA-N 1 0 410.518 2.817 20 0 HFADRO CCOc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OCc1cccnc1 ZINC000747236397 1078994094 /nfs/dbraw/zinc/99/40/94/1078994094.db2.gz MJDLIPPKUGEKLK-UXHICEINSA-N 1 0 411.502 2.652 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1OCc1cn2ccccc2n1 ZINC000747236409 1078994175 /nfs/dbraw/zinc/99/41/75/1078994175.db2.gz MJOWJKAVDVWMLB-RBUKOAKNSA-N 1 0 406.486 2.506 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000805257668 1079000641 /nfs/dbraw/zinc/00/06/41/1079000641.db2.gz BTKIAZKMTHJHQS-RDTXWAMCSA-N 1 0 401.429 2.644 20 0 HFADRO CNC(=O)c1cncc(/C=C/C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000805276938 1079005289 /nfs/dbraw/zinc/00/52/89/1079005289.db2.gz LTRWXHCXMMSRPN-LTSKSLEPSA-N 1 0 410.518 2.661 20 0 HFADRO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747235337 1079009075 /nfs/dbraw/zinc/00/90/75/1079009075.db2.gz CNDQPPRTRXZXKW-CVEARBPZSA-N 1 0 402.520 2.572 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000805331531 1079022400 /nfs/dbraw/zinc/02/24/00/1079022400.db2.gz OEUFPFJZZPFVHS-DHVPZBTDSA-N 1 0 419.566 2.534 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000805332860 1079022671 /nfs/dbraw/zinc/02/26/71/1079022671.db2.gz BNIZLFGBRWSGHK-APWZRJJASA-N 1 0 423.554 2.699 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000805400122 1079040765 /nfs/dbraw/zinc/04/07/65/1079040765.db2.gz OSCZIZYFAKVHTB-UHFFFAOYSA-N 1 0 420.476 2.569 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000747241694 1079056377 /nfs/dbraw/zinc/05/63/77/1079056377.db2.gz OXTWAFQMSZLFQE-KAMYIIQDSA-N 1 0 402.516 2.625 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000805424146 1079056753 /nfs/dbraw/zinc/05/67/53/1079056753.db2.gz PHNVBNMIAMXUGX-AWEZNQCLSA-N 1 0 421.950 2.771 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000747241339 1079060440 /nfs/dbraw/zinc/06/04/40/1079060440.db2.gz NOLPDIMAUVAWGR-RAXLEYEMSA-N 1 0 414.527 2.947 20 0 HFADRO CC[C@@H]1CN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)S1(=O)=O ZINC000805437011 1079063720 /nfs/dbraw/zinc/06/37/20/1079063720.db2.gz FTUGRGYREZRZFB-FBBABVLZSA-N 1 0 407.580 2.506 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805436989 1079063892 /nfs/dbraw/zinc/06/38/92/1079063892.db2.gz FILGMVDNLXCFIJ-JOCHJYFZSA-N 1 0 402.539 2.676 20 0 HFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206202 1079083787 /nfs/dbraw/zinc/08/37/87/1079083787.db2.gz JPRHULVDJHXMBT-TZMCWYRMSA-N 1 0 417.926 2.661 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000747247828 1079110617 /nfs/dbraw/zinc/11/06/17/1079110617.db2.gz PJZALZNGTKKEAD-CSAPWXOBSA-N 1 0 408.564 2.909 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000747251592 1079127861 /nfs/dbraw/zinc/12/78/61/1079127861.db2.gz XFPCPLHDLCJLJO-MDWZMJQESA-N 1 0 420.506 2.764 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)c2nccn2-c2ccccc2)CC1=O ZINC000805542078 1079130992 /nfs/dbraw/zinc/13/09/92/1079130992.db2.gz DXPJADOJCBPKLU-NLWGTHIKSA-N 1 0 410.518 2.809 20 0 HFADRO CC(C)N(C(=O)Cn1cnc2sccc2c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130256815 1079145626 /nfs/dbraw/zinc/14/56/26/1079145626.db2.gz DWKYUMOOZSBUCC-GOSISDBHSA-N 1 0 410.543 2.970 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1 ZINC000747250068 1079146595 /nfs/dbraw/zinc/14/65/95/1079146595.db2.gz HQGCPCCJNXPCDY-XYOKQWHBSA-N 1 0 406.504 2.527 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000747254176 1079168004 /nfs/dbraw/zinc/16/80/04/1079168004.db2.gz NWCRYJISRHJCRZ-XVPDJRTQSA-N 1 0 414.527 2.987 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccccc2N(C)CC)C1 ZINC000805636534 1079189722 /nfs/dbraw/zinc/18/97/22/1079189722.db2.gz UFYXVXNQQBMQRT-SFHVURJKSA-N 1 0 402.583 2.776 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130301196 1079192747 /nfs/dbraw/zinc/19/27/47/1079192747.db2.gz IUORDHOGNKMVKI-QGPMSJSTSA-N 1 0 420.351 2.935 20 0 HFADRO COc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001130301637 1079193755 /nfs/dbraw/zinc/19/37/55/1079193755.db2.gz SKNUCRRZLJQKTR-ZWKOTPCHSA-N 1 0 401.536 2.501 20 0 HFADRO Cc1ccc(CC(=O)O[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000805666955 1079210904 /nfs/dbraw/zinc/21/09/04/1079210904.db2.gz YYBNUTOLYACDME-VQIMIIECSA-N 1 0 415.921 2.908 20 0 HFADRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805749950 1079230360 /nfs/dbraw/zinc/23/03/60/1079230360.db2.gz VJFJCJUEHYQSQG-IEBWSBKVSA-N 1 0 402.539 2.934 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000805793877 1079259874 /nfs/dbraw/zinc/25/98/74/1079259874.db2.gz OHEKOYGOHWUKPP-JOCHJYFZSA-N 1 0 412.538 2.928 20 0 HFADRO COCCCOc1ccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000805759718 1079261248 /nfs/dbraw/zinc/26/12/48/1079261248.db2.gz MOYSISFWYOOJTP-NRFANRHFSA-N 1 0 405.539 2.545 20 0 HFADRO CC(C)(CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805761713 1079262622 /nfs/dbraw/zinc/26/26/22/1079262622.db2.gz FKPAWGQVZCMPJZ-XMMPIXPASA-N 1 0 408.546 2.504 20 0 HFADRO Cc1c(Br)cccc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000747269768 1079274925 /nfs/dbraw/zinc/27/49/25/1079274925.db2.gz IWNBNIQJMZLNLT-OAHLLOKOSA-N 1 0 417.369 2.679 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000805832361 1079271835 /nfs/dbraw/zinc/27/18/35/1079271835.db2.gz WACBOKHVOPSNOO-FUHWJXTLSA-N 1 0 408.568 2.909 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ncc(C(N)=O)c4ccsc43)cc2)CC1 ZINC001170488828 1079274331 /nfs/dbraw/zinc/27/43/31/1079274331.db2.gz DVUPOHHEWBKPFY-WLYUNCDWSA-N 1 0 423.542 2.767 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130370446 1079269901 /nfs/dbraw/zinc/26/99/01/1079269901.db2.gz OLWYKSSIXFLEQP-GUDVDZBRSA-N 1 0 421.607 2.733 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)ccc1F ZINC000747270579 1079277737 /nfs/dbraw/zinc/27/77/37/1079277737.db2.gz LXHFNVLKSPBSPE-CVEARBPZSA-N 1 0 412.527 2.887 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCn2cc(Br)cn2)CC1 ZINC000805839123 1079277750 /nfs/dbraw/zinc/27/77/50/1079277750.db2.gz DGNLZGCVLSTUSI-UHFFFAOYSA-N 1 0 420.355 2.872 20 0 HFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000805820562 1079292130 /nfs/dbraw/zinc/29/21/30/1079292130.db2.gz QOSBBUXLWXMXFZ-IRXDYDNUSA-N 1 0 407.580 2.531 20 0 HFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805827405 1079297693 /nfs/dbraw/zinc/29/76/93/1079297693.db2.gz QZVDQHPWKHIWTJ-IBGZPJMESA-N 1 0 423.579 2.790 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCNC(=O)c1ccncc1 ZINC000805862453 1079309267 /nfs/dbraw/zinc/30/92/67/1079309267.db2.gz XGYYXNLYRROERS-GOSISDBHSA-N 1 0 411.502 2.922 20 0 HFADRO O=C1OCCN1CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491807 1079332962 /nfs/dbraw/zinc/33/29/62/1079332962.db2.gz ZBEPEIBFNUOXJF-AWEZNQCLSA-N 1 0 400.260 2.608 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)CCC2 ZINC000805940544 1079343659 /nfs/dbraw/zinc/34/36/59/1079343659.db2.gz STGMLMGMVQUMJH-XLIONFOSSA-N 1 0 411.550 2.594 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)cc1Cl ZINC000747279230 1079348224 /nfs/dbraw/zinc/34/82/24/1079348224.db2.gz VXCRHHBRHGUROT-LBPRGKRZSA-N 1 0 421.346 2.886 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000747284154 1079384183 /nfs/dbraw/zinc/38/41/83/1079384183.db2.gz XHUGPYUKDRGXLB-XEDBTPMOSA-N 1 0 414.527 2.768 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)CC1=O ZINC001130499136 1079416234 /nfs/dbraw/zinc/41/62/34/1079416234.db2.gz XPMQAORFLXOMGL-NTMALXAHSA-N 1 0 401.507 2.800 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1-n1cncn1 ZINC001130519840 1079451587 /nfs/dbraw/zinc/45/15/87/1079451587.db2.gz XVQUEZRQRDYINF-CVEARBPZSA-N 1 0 404.312 2.777 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000806170362 1079461621 /nfs/dbraw/zinc/46/16/21/1079461621.db2.gz REIFPPRCRHVLQQ-QGZVFWFLSA-N 1 0 402.926 2.989 20 0 HFADRO CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130529666 1079466165 /nfs/dbraw/zinc/46/61/65/1079466165.db2.gz XIVSETQPSDXLFR-WOJBJXKFSA-N 1 0 402.535 2.858 20 0 HFADRO O=C(N[C@@H](Cn1cccn1)c1ccccc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806164632 1079475102 /nfs/dbraw/zinc/47/51/02/1079475102.db2.gz YTDGLDKAJZWAAK-HRTMPFAESA-N 1 0 423.561 2.654 20 0 HFADRO O=C(Nc1ccc(-n2nccn2)nc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000806212403 1079497087 /nfs/dbraw/zinc/49/70/87/1079497087.db2.gz PDVGYJPGAWJPSR-JOCHJYFZSA-N 1 0 403.490 2.792 20 0 HFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000787332485 1076745171 /nfs/dbraw/zinc/74/51/71/1076745171.db2.gz LNDJXQIMLBDQKC-LNLFQRSKSA-N 1 0 424.586 2.527 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1 ZINC000787337896 1076783187 /nfs/dbraw/zinc/78/31/87/1076783187.db2.gz VFWZMCHUULMOQS-INIZCTEOSA-N 1 0 401.429 2.570 20 0 HFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Cc2ccccc2CO)CC1 ZINC000787383574 1076786152 /nfs/dbraw/zinc/78/61/52/1076786152.db2.gz LXAZHQJPZLGSIU-UHFFFAOYSA-N 1 0 421.463 2.808 20 0 HFADRO C[NH+](C)CC1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787349359 1076790814 /nfs/dbraw/zinc/79/08/14/1076790814.db2.gz JIZRXXVXKFZHNU-INIZCTEOSA-N 1 0 405.543 2.548 20 0 HFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCOc1cccc(I)c1 ZINC000787355517 1076794932 /nfs/dbraw/zinc/79/49/32/1076794932.db2.gz GOVRAMLTIMALIE-HNNXBMFYSA-N 1 0 404.292 2.763 20 0 HFADRO O=C(OCc1ccccc1)[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccccc1 ZINC000787436291 1076811031 /nfs/dbraw/zinc/81/10/31/1076811031.db2.gz VIBSKXXWSAWFGJ-ITGJCUMNSA-N 1 0 421.497 2.624 20 0 HFADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1nc2ccccc2s1 ZINC000787433860 1076822381 /nfs/dbraw/zinc/82/23/81/1076822381.db2.gz RKQGEIPKSGSUMW-HNNXBMFYSA-N 1 0 423.542 2.649 20 0 HFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787435128 1076822554 /nfs/dbraw/zinc/82/25/54/1076822554.db2.gz YUYSOBYIDSFDLD-SJORKVTESA-N 1 0 419.570 2.842 20 0 HFADRO C[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1nc2ccccc2s1 ZINC000787494567 1076825728 /nfs/dbraw/zinc/82/57/28/1076825728.db2.gz PFZZIWQMZLHPCH-CYBMUJFWSA-N 1 0 412.519 2.575 20 0 HFADRO C[C@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1=CC[N@H+](C)CC1 ZINC000787511917 1076830872 /nfs/dbraw/zinc/83/08/72/1076830872.db2.gz ZYEGEJGAGIOXBQ-HOCLYGCPSA-N 1 0 403.527 2.514 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1C(=O)N1CCCCC1 ZINC000787471391 1076835334 /nfs/dbraw/zinc/83/53/34/1076835334.db2.gz RMNDWQAIIPAEDY-SFHVURJKSA-N 1 0 414.550 2.550 20 0 HFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C[C@H]1C ZINC000787483242 1076840206 /nfs/dbraw/zinc/84/02/06/1076840206.db2.gz PCGCKDANSCBFOA-PMPSAXMXSA-N 1 0 405.543 2.689 20 0 HFADRO C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000787482282 1076841329 /nfs/dbraw/zinc/84/13/29/1076841329.db2.gz IDTLXPQIFBIOCI-PBHICJAKSA-N 1 0 401.885 2.953 20 0 HFADRO C[NH+](C)CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000787562712 1076865257 /nfs/dbraw/zinc/86/52/57/1076865257.db2.gz IDOAOLGZDCQGGP-UHFFFAOYSA-N 1 0 410.923 2.927 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000787573535 1076868842 /nfs/dbraw/zinc/86/88/42/1076868842.db2.gz RKBAQFSZJCRUQM-UHFFFAOYSA-N 1 0 403.567 2.673 20 0 HFADRO COC(=O)/C=C/c1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc1 ZINC001170075588 1076877253 /nfs/dbraw/zinc/87/72/53/1076877253.db2.gz ANILQEZEXRCLCN-JXMROGBWSA-N 1 0 411.483 2.575 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000787629020 1076883495 /nfs/dbraw/zinc/88/34/95/1076883495.db2.gz WMRTYVXLQMOGEH-UHFFFAOYSA-N 1 0 414.937 2.647 20 0 HFADRO COc1cc(/C=C/C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000787631541 1076884938 /nfs/dbraw/zinc/88/49/38/1076884938.db2.gz UKWWCDUCMKKKFF-ATMNSAGYSA-N 1 0 411.502 2.912 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1F)C1CCCCC1 ZINC000787598417 1076887400 /nfs/dbraw/zinc/88/74/00/1076887400.db2.gz MKOQCAFLBGHODQ-IYBDPMFKSA-N 1 0 402.514 2.553 20 0 HFADRO Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2)c1 ZINC000787636995 1076891041 /nfs/dbraw/zinc/89/10/41/1076891041.db2.gz CRDJJKSTAPHRIR-KDURUIRLSA-N 1 0 414.527 2.705 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)c1ccccc1 ZINC000787638462 1076892144 /nfs/dbraw/zinc/89/21/44/1076892144.db2.gz MOUZHQBOBVYXIR-NBGIEHNGSA-N 1 0 422.573 2.656 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1)N(C)c1ccccc1 ZINC000787640920 1076892804 /nfs/dbraw/zinc/89/28/04/1076892804.db2.gz RUASZOCUPZRIKY-LJQANCHMSA-N 1 0 414.594 2.788 20 0 HFADRO COCC[NH+](CCOC)C1CCN(CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC001170076046 1076903994 /nfs/dbraw/zinc/90/39/94/1076903994.db2.gz XZNDIXAYFCYNSN-FQEVSTJZSA-N 1 0 407.580 2.549 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccoc1COc1ccc(C=O)cc1 ZINC000787667328 1076904388 /nfs/dbraw/zinc/90/43/88/1076904388.db2.gz BTCLQQBKEKQQCG-KRWDZBQOSA-N 1 0 412.486 2.996 20 0 HFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672464 1076906329 /nfs/dbraw/zinc/90/63/29/1076906329.db2.gz SMFIAOOYACXHSG-NVXWUHKLSA-N 1 0 411.468 2.869 20 0 HFADRO COc1cccc(N2CC[NH+]([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)c1 ZINC000787684369 1076910313 /nfs/dbraw/zinc/91/03/13/1076910313.db2.gz AAQVVZSWLLCLHS-KNQAVFIVSA-N 1 0 405.539 2.578 20 0 HFADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000787698212 1076916487 /nfs/dbraw/zinc/91/64/87/1076916487.db2.gz HNHZNIWFQBMHAK-UHFFFAOYSA-N 1 0 407.518 2.524 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)cc1 ZINC000787709425 1076921041 /nfs/dbraw/zinc/92/10/41/1076921041.db2.gz WZSIOUKBPPEZJN-NJYVYQBISA-N 1 0 414.594 2.564 20 0 HFADRO CC(C)(C)OC(=O)N1CC([NH2+][C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000787754317 1076927937 /nfs/dbraw/zinc/92/79/37/1076927937.db2.gz LMOCPRAJEOBTSU-DLBZAZTESA-N 1 0 411.543 2.610 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCN1C(=O)OC(C)(C)C ZINC000787759401 1076929069 /nfs/dbraw/zinc/92/90/69/1076929069.db2.gz GDCTWNZBHFQXBC-SFFUCWETSA-N 1 0 408.539 2.865 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2cnc(N3CCOCC3)s2)cc1 ZINC000787759586 1076929629 /nfs/dbraw/zinc/92/96/29/1076929629.db2.gz ZFWFSSHBKGKNEH-UHFFFAOYSA-N 1 0 418.563 2.630 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H]2COc3cc(OC)ccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787766522 1076931288 /nfs/dbraw/zinc/93/12/88/1076931288.db2.gz UKOJRPPMVXQBJQ-SUMDDJOVSA-N 1 0 420.506 2.529 20 0 HFADRO Cc1ccccc1C(=O)NC1CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000787731850 1076934453 /nfs/dbraw/zinc/93/44/53/1076934453.db2.gz SZDUNGNXQPHIDH-UHFFFAOYSA-N 1 0 405.539 2.731 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787735223 1076935217 /nfs/dbraw/zinc/93/52/17/1076935217.db2.gz FFQJQXICJLQYOR-QFIPXVFZSA-N 1 0 408.546 2.816 20 0 HFADRO C[C@H](NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787737494 1076935770 /nfs/dbraw/zinc/93/57/70/1076935770.db2.gz IASNTUBDPWBHGD-IJRFWPHPSA-N 1 0 412.486 2.607 20 0 HFADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000787739355 1076936656 /nfs/dbraw/zinc/93/66/56/1076936656.db2.gz UBSMACAEQKSMIL-RBBKRZOGSA-N 1 0 406.530 2.741 20 0 HFADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000787741084 1076937709 /nfs/dbraw/zinc/93/77/09/1076937709.db2.gz YHECINSMPVZSPQ-FGZHOGPDSA-N 1 0 421.541 2.840 20 0 HFADRO COC(=O)N1CC(C)([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000787767287 1076940997 /nfs/dbraw/zinc/94/09/97/1076940997.db2.gz PKERSRHBHYXSJI-UHFFFAOYSA-N 1 0 407.106 2.724 20 0 HFADRO C[N@H+](CC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)[C@H]1CCSC1 ZINC000787783224 1076944746 /nfs/dbraw/zinc/94/47/46/1076944746.db2.gz PMZYNBGVCOIFMZ-IBGZPJMESA-N 1 0 405.564 2.589 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1)[NH+]1CCCCC1 ZINC000787871580 1076967949 /nfs/dbraw/zinc/96/79/49/1076967949.db2.gz BRFKRWYMGVZOKZ-RTBURBONSA-N 1 0 424.545 2.828 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2cccnc2-n2ccnc2C)cc1 ZINC000787880948 1076975456 /nfs/dbraw/zinc/97/54/56/1076975456.db2.gz XYWQCXLYBUJEGQ-UHFFFAOYSA-N 1 0 420.517 2.672 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000787904491 1076988567 /nfs/dbraw/zinc/98/85/67/1076988567.db2.gz SZGLKUWUKHXTDX-KNQAVFIVSA-N 1 0 415.578 2.729 20 0 HFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000787909632 1076990975 /nfs/dbraw/zinc/99/09/75/1076990975.db2.gz MICFLVSENSVHAX-UGKGYDQZSA-N 1 0 415.578 2.587 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)CCC2 ZINC000787913042 1076992924 /nfs/dbraw/zinc/99/29/24/1076992924.db2.gz UXJAHEKSAZRINT-PKOBYXMFSA-N 1 0 403.571 2.586 20 0 HFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1[NH+](C)C ZINC000787913896 1076993785 /nfs/dbraw/zinc/99/37/85/1076993785.db2.gz SSDMHSUEMCWOBJ-RYUDHWBXSA-N 1 0 411.749 2.872 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000787916005 1076994758 /nfs/dbraw/zinc/99/47/58/1076994758.db2.gz UVAAFTIXUOYDGG-SFTDATJTSA-N 1 0 414.594 2.518 20 0 HFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cnc(Cl)cn2)CC1 ZINC000787899322 1077003976 /nfs/dbraw/zinc/00/39/76/1077003976.db2.gz UUTWCYWQDPRACD-UHFFFAOYSA-N 1 0 413.831 2.831 20 0 HFADRO CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)C(F)(F)F ZINC000787960982 1077010162 /nfs/dbraw/zinc/01/01/62/1077010162.db2.gz VZNLUDSWRYOHRL-INIZCTEOSA-N 1 0 400.445 2.613 20 0 HFADRO CN(C(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746723487 1077010933 /nfs/dbraw/zinc/01/09/33/1077010933.db2.gz UUJYDXZJGZLHIO-GOSISDBHSA-N 1 0 409.469 2.930 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000787944279 1077019790 /nfs/dbraw/zinc/01/97/90/1077019790.db2.gz YVRFADXVFCBBAG-DYVFJYSZSA-N 1 0 411.424 2.765 20 0 HFADRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787994200 1077021754 /nfs/dbraw/zinc/02/17/54/1077021754.db2.gz ACCRGWOXMXQZKP-UAGQMJEPSA-N 1 0 414.474 2.559 20 0 HFADRO C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787993799 1077021974 /nfs/dbraw/zinc/02/19/74/1077021974.db2.gz XVMWAYUZAZXOSX-ZYKOEDHHSA-N 1 0 415.578 2.726 20 0 HFADRO CCC[N@H+](CC)CCNC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000746722913 1077022347 /nfs/dbraw/zinc/02/23/47/1077022347.db2.gz OLBIAGGPLQXVJK-UHFFFAOYSA-N 1 0 411.446 2.842 20 0 HFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787997065 1077023243 /nfs/dbraw/zinc/02/32/43/1077023243.db2.gz WNWZHGSRUWQPHW-WMZOPIPTSA-N 1 0 412.465 2.521 20 0 HFADRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787997062 1077023252 /nfs/dbraw/zinc/02/32/52/1077023252.db2.gz WNWZHGSRUWQPHW-AEFFLSMTSA-N 1 0 412.465 2.521 20 0 HFADRO C[C@@]1(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000788070102 1077051973 /nfs/dbraw/zinc/05/19/73/1077051973.db2.gz IHSXJUFJBWGSLB-FDDCHVKYSA-N 1 0 423.517 2.513 20 0 HFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1=O ZINC000788251615 1077087058 /nfs/dbraw/zinc/08/70/58/1077087058.db2.gz GYTANNGJTSNMPW-PFKNGNAYSA-N 1 0 408.543 2.523 20 0 HFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1=O ZINC000788251616 1077087104 /nfs/dbraw/zinc/08/71/04/1077087104.db2.gz GYTANNGJTSNMPW-PTDBIEIZSA-N 1 0 408.543 2.523 20 0 HFADRO COc1ccc([C@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000788260769 1077088296 /nfs/dbraw/zinc/08/82/96/1077088296.db2.gz HFLVYPXCRBRRKX-APWZRJJASA-N 1 0 410.522 2.525 20 0 HFADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000788288189 1077098936 /nfs/dbraw/zinc/09/89/36/1077098936.db2.gz ZDXVQFGXXWZZJN-PMACEKPBSA-N 1 0 417.531 2.677 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000788337632 1077107338 /nfs/dbraw/zinc/10/73/38/1077107338.db2.gz DALPUPYSLWDDEV-UHFFFAOYSA-N 1 0 406.596 2.759 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742945 1077114430 /nfs/dbraw/zinc/11/44/30/1077114430.db2.gz ATJMEXGJWNORGU-CABCVRRESA-N 1 0 401.442 2.738 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@@H]([C@H]([NH2+]CCc2nnc3n2CCCCC3)C2CC2)C1 ZINC000788430253 1077144409 /nfs/dbraw/zinc/14/44/09/1077144409.db2.gz NXBAYKHINSQTJF-YLJYHZDGSA-N 1 0 419.570 2.551 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+]CCc2cn3c(n2)CCCC3)C2CC2)C1 ZINC000788432065 1077144782 /nfs/dbraw/zinc/14/47/82/1077144782.db2.gz WVCZXMTYMBDASP-AZUAARDMSA-N 1 0 404.555 2.766 20 0 HFADRO CC1(C(=O)OCC(=O)NC[C@@H]2Cc3ccccc3O2)CC[NH+](Cc2ccccc2)CC1 ZINC000772718765 1077145476 /nfs/dbraw/zinc/14/54/76/1077145476.db2.gz MUFKVYFGVNQYRK-NRFANRHFSA-N 1 0 422.525 2.952 20 0 HFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000788436489 1077146161 /nfs/dbraw/zinc/14/61/61/1077146161.db2.gz MFBIMYNCTMNGOQ-BRWVUGGUSA-N 1 0 409.527 2.616 20 0 HFADRO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788436891 1077146171 /nfs/dbraw/zinc/14/61/71/1077146171.db2.gz OPPQZVSWYDFAQO-HOTGVXAUSA-N 1 0 400.527 2.904 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000788439322 1077147742 /nfs/dbraw/zinc/14/77/42/1077147742.db2.gz WQWIXPVVQOITLU-NQYYFHDYSA-N 1 0 409.571 2.685 20 0 HFADRO Cc1ccc(N(C)[C@H]2CCCN(C(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)C2)cc1 ZINC000788460753 1077166686 /nfs/dbraw/zinc/16/66/86/1077166686.db2.gz PTMFZFHKVQIWDP-QHCPKHFHSA-N 1 0 422.573 2.800 20 0 HFADRO C[NH+]1CCC(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000788473391 1077171363 /nfs/dbraw/zinc/17/13/63/1077171363.db2.gz IPZQIPAJXDARFI-UHFFFAOYSA-N 1 0 406.379 2.642 20 0 HFADRO CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788480616 1077174604 /nfs/dbraw/zinc/17/46/04/1077174604.db2.gz BNQGAFPSDNUDQA-JOCHJYFZSA-N 1 0 416.610 2.993 20 0 HFADRO C[C@@H](CS(C)(=O)=O)[N@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000788480461 1077174674 /nfs/dbraw/zinc/17/46/74/1077174674.db2.gz JZAUONSVKZFRDC-KRWDZBQOSA-N 1 0 408.564 2.933 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C ZINC000788548750 1077197103 /nfs/dbraw/zinc/19/71/03/1077197103.db2.gz QHZRHPPJIYKNLB-UHFFFAOYSA-N 1 0 411.493 2.580 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(OC)cc2OC)CCN1C(=O)OC(C)(C)C ZINC000788557953 1077200565 /nfs/dbraw/zinc/20/05/65/1077200565.db2.gz RUPCXGSBHNLSLU-SJLPKXTDSA-N 1 0 408.495 2.735 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000788561481 1077201792 /nfs/dbraw/zinc/20/17/92/1077201792.db2.gz DBZPIUISMSPXAJ-OPYAIIAOSA-N 1 0 413.628 2.820 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000788561478 1077201818 /nfs/dbraw/zinc/20/18/18/1077201818.db2.gz DBZPIUISMSPXAJ-LQWHRVPQSA-N 1 0 413.628 2.820 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000788564816 1077202047 /nfs/dbraw/zinc/20/20/47/1077202047.db2.gz TZGBTHISCCKFHN-NUJGCVRESA-N 1 0 422.522 2.780 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788592247 1077215583 /nfs/dbraw/zinc/21/55/83/1077215583.db2.gz AYVYZXVMRBPQTR-SJORKVTESA-N 1 0 409.571 2.782 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1 ZINC000788595692 1077217331 /nfs/dbraw/zinc/21/73/31/1077217331.db2.gz HBEVPABADPKQHW-UHFFFAOYSA-N 1 0 402.442 2.552 20 0 HFADRO COc1ccc(C(=O)NC(=O)CN(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC001170086866 1077218227 /nfs/dbraw/zinc/21/82/27/1077218227.db2.gz YQWZJSOJWLKQAE-QGZVFWFLSA-N 1 0 415.559 2.775 20 0 HFADRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788600910 1077219628 /nfs/dbraw/zinc/21/96/28/1077219628.db2.gz FODUOUHHUAMNPA-GOSISDBHSA-N 1 0 415.582 2.581 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)c1Cl ZINC000788651607 1077226823 /nfs/dbraw/zinc/22/68/23/1077226823.db2.gz JLJVVBZELOBGNM-NWDGAFQWSA-N 1 0 406.957 2.601 20 0 HFADRO CCOC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000790923833 1077233536 /nfs/dbraw/zinc/23/35/36/1077233536.db2.gz ZQLMOWAVBRDVBE-GOSISDBHSA-N 1 0 418.538 2.580 20 0 HFADRO O=C(NCC[NH+]1CCCCCC1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788636830 1077241274 /nfs/dbraw/zinc/24/12/74/1077241274.db2.gz LETYIFRLBXIWAX-PMACEKPBSA-N 1 0 410.518 2.571 20 0 HFADRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000788638362 1077241845 /nfs/dbraw/zinc/24/18/45/1077241845.db2.gz KHVFPLIWFMKIAY-LBPRGKRZSA-N 1 0 408.973 2.849 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000788640065 1077243207 /nfs/dbraw/zinc/24/32/07/1077243207.db2.gz BDIURZLCNAUCBE-JYWFKMLOSA-N 1 0 424.545 2.815 20 0 HFADRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000790905926 1077243892 /nfs/dbraw/zinc/24/38/92/1077243892.db2.gz RBMTXCXDKGRTJC-GOSISDBHSA-N 1 0 405.539 2.881 20 0 HFADRO COc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)ccc1OCC(N)=O ZINC000788641651 1077244121 /nfs/dbraw/zinc/24/41/21/1077244121.db2.gz KCNAVWVILXSCCX-WBVHZDCISA-N 1 0 421.538 2.685 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)C2=O)c(C)c1 ZINC000788677389 1077246407 /nfs/dbraw/zinc/24/64/07/1077246407.db2.gz BFSASAVGMKQQDJ-FQEVSTJZSA-N 1 0 415.559 2.757 20 0 HFADRO COc1cccc([C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)[NH+](C)C)c1 ZINC000788687010 1077251218 /nfs/dbraw/zinc/25/12/18/1077251218.db2.gz CRAPNJCBMDHYOC-FCHUYYIVSA-N 1 0 424.545 2.740 20 0 HFADRO CN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788687837 1077251480 /nfs/dbraw/zinc/25/14/80/1077251480.db2.gz GETRCAHRVUHRND-VXKWHMMOSA-N 1 0 406.530 2.703 20 0 HFADRO CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788688853 1077251856 /nfs/dbraw/zinc/25/18/56/1077251856.db2.gz MHINKQIKHFZMRM-YADHBBJMSA-N 1 0 408.546 2.602 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000790960713 1077254826 /nfs/dbraw/zinc/25/48/26/1077254826.db2.gz SNMQXBYSAQMRTK-UHFFFAOYSA-N 1 0 405.539 2.881 20 0 HFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC[N@@H+]1C ZINC000788658293 1077255306 /nfs/dbraw/zinc/25/53/06/1077255306.db2.gz MLIQDFJWDJPRCP-NMLACTOBSA-N 1 0 410.518 2.519 20 0 HFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000788658149 1077255432 /nfs/dbraw/zinc/25/54/32/1077255432.db2.gz UDMDYIQLQOXMDW-HOTGVXAUSA-N 1 0 411.568 2.767 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2cccc3c[nH]nc32)CC1 ZINC000746951239 1077260198 /nfs/dbraw/zinc/26/01/98/1077260198.db2.gz OWUHLTLTZAXTHX-UHFFFAOYSA-N 1 0 406.486 2.809 20 0 HFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1)CC2 ZINC000788668769 1077260920 /nfs/dbraw/zinc/26/09/20/1077260920.db2.gz LTJZNKLCRJGABW-KZNAEPCWSA-N 1 0 419.570 2.897 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCSC3)cc2Cl)CC1 ZINC000790975985 1077268814 /nfs/dbraw/zinc/26/88/14/1077268814.db2.gz WPFHOFKEHPXSDP-OAHLLOKOSA-N 1 0 424.998 2.680 20 0 HFADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788762438 1077279702 /nfs/dbraw/zinc/27/97/02/1077279702.db2.gz SCUFBVSLHKRMSR-QGZVFWFLSA-N 1 0 405.514 2.973 20 0 HFADRO C[C@]1(CNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000791056279 1077284949 /nfs/dbraw/zinc/28/49/49/1077284949.db2.gz ROWXGNADEMIISV-OAQYLSRUSA-N 1 0 404.507 2.871 20 0 HFADRO COCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000788740750 1077286381 /nfs/dbraw/zinc/28/63/81/1077286381.db2.gz CSXBUZXUHQAXAY-UHFFFAOYSA-N 1 0 419.566 2.720 20 0 HFADRO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788804781 1077293415 /nfs/dbraw/zinc/29/34/15/1077293415.db2.gz YOZIMKPWURDTLF-IEBWSBKVSA-N 1 0 419.566 2.979 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]CCN2CC=CCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788806646 1077294145 /nfs/dbraw/zinc/29/41/45/1077294145.db2.gz OLFOSKXIHAAWPP-GOSISDBHSA-N 1 0 409.571 2.807 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NC(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)C2=O)c(C)c1 ZINC000788809501 1077294410 /nfs/dbraw/zinc/29/44/10/1077294410.db2.gz KUAZSTBXQQYBIT-VQTJNVASSA-N 1 0 400.567 2.994 20 0 HFADRO CCOC1CC(CC(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000788780655 1077299839 /nfs/dbraw/zinc/29/98/39/1077299839.db2.gz CXUNBLQPJJVBFK-QNGMFEMESA-N 1 0 400.567 2.647 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1C(=O)OC(C)(C)C ZINC000788817043 1077307177 /nfs/dbraw/zinc/30/71/77/1077307177.db2.gz WWWZBIDPICCMQU-HOTGVXAUSA-N 1 0 424.567 2.643 20 0 HFADRO C[C@H]([NH2+]C[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000788820284 1077308105 /nfs/dbraw/zinc/30/81/05/1077308105.db2.gz UIGQIMWLSUJVOM-ZFWWWQNUSA-N 1 0 418.460 2.921 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788832918 1077314176 /nfs/dbraw/zinc/31/41/76/1077314176.db2.gz UDHKFOXKZDCMHN-WTIAFYNJSA-N 1 0 420.557 2.949 20 0 HFADRO CC(C)(C)C(=O)Nc1ccnc(NCCOC(F)(F)F)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001157391368 1077315307 /nfs/dbraw/zinc/31/53/07/1077315307.db2.gz ZBPKPISICVZRQL-ZDUSSCGKSA-N 1 0 418.460 2.829 20 0 HFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000788846697 1077318702 /nfs/dbraw/zinc/31/87/02/1077318702.db2.gz KJDADAGHVKUHDH-INIZCTEOSA-N 1 0 406.372 2.699 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCCC2)CC1 ZINC000788846745 1077318748 /nfs/dbraw/zinc/31/87/48/1077318748.db2.gz VURRMBLWDZRXEZ-SFHVURJKSA-N 1 0 421.582 2.783 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)C(=O)N(C)CC)cc2Cl)CC1 ZINC000788886007 1077330817 /nfs/dbraw/zinc/33/08/17/1077330817.db2.gz JDHZVDITWXIZJY-OAHLLOKOSA-N 1 0 409.962 2.860 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3c(F)cccc3Cl)cc2)CC1 ZINC000746993795 1077350422 /nfs/dbraw/zinc/35/04/22/1077350422.db2.gz MLJPIFIFKYPUHC-UHFFFAOYSA-N 1 0 418.900 2.876 20 0 HFADRO Cn1nc(Br)cc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000791293685 1077358694 /nfs/dbraw/zinc/35/86/94/1077358694.db2.gz JORUPKJOTPEKFL-UHFFFAOYSA-N 1 0 407.312 2.586 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)CN3c4ccccc4OCCC3=O)cc2)CC1 ZINC000791298161 1077361362 /nfs/dbraw/zinc/36/13/62/1077361362.db2.gz CNSOBXREZXHRCZ-UHFFFAOYSA-N 1 0 423.513 2.592 20 0 HFADRO COc1cccc([C@H](CNC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)[NH+](C)C)c1 ZINC000791301330 1077363585 /nfs/dbraw/zinc/36/35/85/1077363585.db2.gz QHTDKGBQEPOLKG-OALUTQOASA-N 1 0 403.429 2.886 20 0 HFADRO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3cnc(N4CCOCC4)s3)C2=O)c(C)c1 ZINC000788973196 1077366915 /nfs/dbraw/zinc/36/69/15/1077366915.db2.gz OIKJUXQOCGRHEA-SFHVURJKSA-N 1 0 400.548 2.800 20 0 HFADRO CCO[C@@H]1C[C@@](O)(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1(C)C ZINC000789002732 1077377940 /nfs/dbraw/zinc/37/79/40/1077377940.db2.gz HKLYAKRBGOTVID-DENIHFKCSA-N 1 0 404.555 2.516 20 0 HFADRO CCN(CCc1cccs1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000747003265 1077378520 /nfs/dbraw/zinc/37/85/20/1077378520.db2.gz GIUWNUNHSUWING-UHFFFAOYSA-N 1 0 400.548 2.530 20 0 HFADRO CCO[C@H]1C[C@@](O)(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1(C)C ZINC000789002857 1077378642 /nfs/dbraw/zinc/37/86/42/1077378642.db2.gz HKLYAKRBGOTVID-SIKLNZKXSA-N 1 0 404.555 2.516 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1N1CCOC1=O ZINC000746779922 1077379107 /nfs/dbraw/zinc/37/91/07/1077379107.db2.gz CAJZCHWFGJURJG-MRXNPFEDSA-N 1 0 416.522 2.518 20 0 HFADRO O=C(COC(=O)c1cc(C(F)(F)F)cnc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000789014502 1077384939 /nfs/dbraw/zinc/38/49/39/1077384939.db2.gz PWCWNQVAJHQHOO-UHFFFAOYSA-N 1 0 405.804 2.654 20 0 HFADRO O=C(NC[C@@H]1CCCN(c2ccccc2)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000789023396 1077387739 /nfs/dbraw/zinc/38/77/39/1077387739.db2.gz WFUUUGJWOVCQND-SIKLNZKXSA-N 1 0 400.567 2.846 20 0 HFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000791360139 1077393059 /nfs/dbraw/zinc/39/30/59/1077393059.db2.gz MIZUVNSMPZANED-SFHVURJKSA-N 1 0 407.461 2.609 20 0 HFADRO C[C@@H](OC(=O)c1c[nH]nc1-c1ccoc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789076270 1077398013 /nfs/dbraw/zinc/39/80/13/1077398013.db2.gz BJDFSQXNSQLVIC-QAPCUYQASA-N 1 0 408.458 2.606 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000791494816 1077432900 /nfs/dbraw/zinc/43/29/00/1077432900.db2.gz YJUYIXPILRAFNE-QHCPKHFHSA-N 1 0 423.513 2.978 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000746788768 1077444678 /nfs/dbraw/zinc/44/46/78/1077444678.db2.gz XUMZIGDCQYTLEG-UHFFFAOYSA-N 1 0 404.580 2.557 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1N1CCOC1=O ZINC000746790069 1077462348 /nfs/dbraw/zinc/46/23/48/1077462348.db2.gz RMKIQWHVVDFUEH-IVZQSRNASA-N 1 0 416.522 2.517 20 0 HFADRO CSc1cccc(N2C[C@@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)c1 ZINC000791568993 1077464400 /nfs/dbraw/zinc/46/44/00/1077464400.db2.gz IVOXGAUFWYBKHS-SFHVURJKSA-N 1 0 419.591 2.721 20 0 HFADRO C[NH+]1CCN(C[C@@H](NC(=O)c2nc(Br)ccc2F)c2ccccc2)CC1 ZINC000791567540 1077464419 /nfs/dbraw/zinc/46/44/19/1077464419.db2.gz ZROIGFREDXLTCP-MRXNPFEDSA-N 1 0 421.314 2.702 20 0 HFADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[NH+]3[C@H](C)C[C@H]3C)C2=O)cc1 ZINC000791575177 1077467893 /nfs/dbraw/zinc/46/78/93/1077467893.db2.gz BIWFEPAACINZEV-TYAXTIJKSA-N 1 0 417.531 2.721 20 0 HFADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[NH+]3[C@H](C)C[C@H]3C)C2=O)cc1 ZINC000791575175 1077467938 /nfs/dbraw/zinc/46/79/38/1077467938.db2.gz BIWFEPAACINZEV-SIRBDXHCSA-N 1 0 417.531 2.721 20 0 HFADRO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791545339 1077472407 /nfs/dbraw/zinc/47/24/07/1077472407.db2.gz JYOFJTSFYHRTSJ-UHFFFAOYSA-N 1 0 412.534 2.631 20 0 HFADRO C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000746792847 1077484016 /nfs/dbraw/zinc/48/40/16/1077484016.db2.gz AQZLRKNIMCDZLK-UHFFFAOYSA-N 1 0 413.522 2.584 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1N1CCOC1=O ZINC000746797954 1077488421 /nfs/dbraw/zinc/48/84/21/1077488421.db2.gz QHCUSNKIGCKPQP-KRWDZBQOSA-N 1 0 424.501 2.527 20 0 HFADRO Cn1cc(C(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccoc2)n1 ZINC000789264151 1077489046 /nfs/dbraw/zinc/48/90/46/1077489046.db2.gz QBNRBYODGPCNRZ-UHFFFAOYSA-N 1 0 422.485 2.749 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)C2)c1 ZINC000791590017 1077493509 /nfs/dbraw/zinc/49/35/09/1077493509.db2.gz SZQGUQAJZBMIDZ-AOMKIAJQSA-N 1 0 411.502 2.834 20 0 HFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CCCC1 ZINC000791589623 1077493596 /nfs/dbraw/zinc/49/35/96/1077493596.db2.gz QNQDTVCVXPGWKW-IAGOWNOFSA-N 1 0 403.523 2.704 20 0 HFADRO O=C(COC(=O)[C@@H]1CC(=O)c2ccccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000789301690 1077506123 /nfs/dbraw/zinc/50/61/23/1077506123.db2.gz ONKDVVNTIJMOPK-OAQYLSRUSA-N 1 0 406.482 2.812 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](C[C@H](O)C3CCCCC3)C2)CC1 ZINC000789310838 1077509237 /nfs/dbraw/zinc/50/92/37/1077509237.db2.gz WDEPJZDUNSHTMB-UXHICEINSA-N 1 0 423.598 2.719 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](N3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)C2=O)c(C)c1 ZINC000789353608 1077513819 /nfs/dbraw/zinc/51/38/19/1077513819.db2.gz ZTPFZQNSAAVCIQ-HNTVYWHESA-N 1 0 410.606 2.960 20 0 HFADRO CCCc1ccc(N2C[C@@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)cc1 ZINC000791686397 1077527680 /nfs/dbraw/zinc/52/76/80/1077527680.db2.gz DUWKNDWOCDSDDT-NRFANRHFSA-N 1 0 415.578 2.951 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc3c(c2)CCCC3)n1 ZINC000789391958 1077534721 /nfs/dbraw/zinc/53/47/21/1077534721.db2.gz DWKXDKHLXMVGPU-UHFFFAOYSA-O 1 0 406.535 2.982 20 0 HFADRO CCc1ccc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000789391895 1077534921 /nfs/dbraw/zinc/53/49/21/1077534921.db2.gz DDEDHLUAUXXSAX-UHFFFAOYSA-O 1 0 409.539 2.534 20 0 HFADRO CCC[C@@H]1CN(C(=O)Nc2ccc(Br)nc2OC)CC[N@@H+]1CCOC ZINC000789394014 1077535914 /nfs/dbraw/zinc/53/59/14/1077535914.db2.gz SDDLRQWYPZGUCC-CYBMUJFWSA-N 1 0 415.332 2.817 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=S)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000789395930 1077536725 /nfs/dbraw/zinc/53/67/25/1077536725.db2.gz ROOVFLQARFYWMG-LJQANCHMSA-N 1 0 415.559 2.776 20 0 HFADRO CC(C)N(C)c1ccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000746803047 1077542228 /nfs/dbraw/zinc/54/22/28/1077542228.db2.gz KTGXRBFWOASJGT-QGZVFWFLSA-N 1 0 404.530 2.799 20 0 HFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NOCc2cccnc2)CC1 ZINC000746812513 1077553967 /nfs/dbraw/zinc/55/39/67/1077553967.db2.gz XWTBXHRXFHGPFS-UHFFFAOYSA-N 1 0 423.439 2.783 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)F)C1 ZINC000746813316 1077555550 /nfs/dbraw/zinc/55/55/50/1077555550.db2.gz IUFQCYOVWRXBPJ-CQSZACIVSA-N 1 0 415.506 2.899 20 0 HFADRO CCCCOc1ccc(C(=O)C(C(=S)NCC(N)=O)[n+]2ccc(C)cc2)cc1 ZINC000789401061 1077559075 /nfs/dbraw/zinc/55/90/75/1077559075.db2.gz BQBDBPUBCOIKJH-UHFFFAOYSA-O 1 0 400.524 2.748 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000791826411 1077575031 /nfs/dbraw/zinc/57/50/31/1077575031.db2.gz WAFKLJBZJJASCR-LJQANCHMSA-N 1 0 417.550 2.651 20 0 HFADRO CC(=O)[C@@H]1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828719 1077576871 /nfs/dbraw/zinc/57/68/71/1077576871.db2.gz OVAKAEZJDAJISY-REWPJTCUSA-N 1 0 404.514 2.849 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000746813775 1077578532 /nfs/dbraw/zinc/57/85/32/1077578532.db2.gz ZIBOWJNMDNGCFR-MRXNPFEDSA-N 1 0 412.490 2.830 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)[C@H](COC)Cc3ccccc3)cc2)CC1 ZINC000789454670 1077580751 /nfs/dbraw/zinc/58/07/51/1077580751.db2.gz DJYRUDUPVZGQCM-DEOSSOPVSA-N 1 0 424.589 2.957 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1 ZINC000791884915 1077586004 /nfs/dbraw/zinc/58/60/04/1077586004.db2.gz FTDFOTZIVWVGST-UHFFFAOYSA-N 1 0 403.552 2.670 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000791895065 1077589636 /nfs/dbraw/zinc/58/96/36/1077589636.db2.gz SICDHJUPXWYKOT-UHFFFAOYSA-N 1 0 417.579 2.871 20 0 HFADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940590 1077600508 /nfs/dbraw/zinc/60/05/08/1077600508.db2.gz VVRGUSGANYACIK-QHRROTSZSA-N 1 0 413.587 2.835 20 0 HFADRO CCOC(=O)C1C(C[N@@H+]2CCC[C@]2(CO)CC(C)C)=NC(=O)N[C@H]1c1ccccc1 ZINC000789507606 1077601402 /nfs/dbraw/zinc/60/14/02/1077601402.db2.gz SRBUINVXDTWIQA-NZQKXSOJSA-N 1 0 415.534 2.731 20 0 HFADRO O=C(CCC(=O)N1CCOc2ccccc21)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791946981 1077605314 /nfs/dbraw/zinc/60/53/14/1077605314.db2.gz PWPBOYJWHALOMJ-OYRHEFFESA-N 1 0 419.525 2.783 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000791912256 1077607616 /nfs/dbraw/zinc/60/76/16/1077607616.db2.gz NUKFHEDSPQHTPT-QHCPKHFHSA-N 1 0 401.551 2.641 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000791973612 1077615974 /nfs/dbraw/zinc/61/59/74/1077615974.db2.gz ABVAEBGPQKIDHC-UGKGYDQZSA-N 1 0 400.482 2.989 20 0 HFADRO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)[C@H]3CCN(Cc4ccccc4)C3=O)c2cc1C ZINC000789523405 1077619694 /nfs/dbraw/zinc/61/96/94/1077619694.db2.gz YTWCGOWUOKKKFM-UNMCSNQZSA-N 1 0 406.530 2.747 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000791980697 1077620784 /nfs/dbraw/zinc/62/07/84/1077620784.db2.gz MWPNVVLQNHDLFE-LRYGAUQLSA-N 1 0 424.545 2.630 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000791952498 1077627243 /nfs/dbraw/zinc/62/72/43/1077627243.db2.gz VXJJPMBARTZHLH-DEOSSOPVSA-N 1 0 415.578 2.888 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000791952502 1077627754 /nfs/dbraw/zinc/62/77/54/1077627754.db2.gz VXJJPMBARTZHLH-XMMPIXPASA-N 1 0 415.578 2.888 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000792072745 1077679405 /nfs/dbraw/zinc/67/94/05/1077679405.db2.gz XUXDJMSLQWDQTI-KRWDZBQOSA-N 1 0 411.340 2.884 20 0 HFADRO C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000792077586 1077683457 /nfs/dbraw/zinc/68/34/57/1077683457.db2.gz WNGPDBWNZDOLFB-MJGOQNOKSA-N 1 0 404.555 2.763 20 0 HFADRO CC[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[C@@H](O)c1ccccc1 ZINC000789601424 1077704954 /nfs/dbraw/zinc/70/49/54/1077704954.db2.gz OEVIWGMZTJANMM-IHPCNDPISA-N 1 0 411.502 2.639 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)C2)c1 ZINC000792096906 1077713838 /nfs/dbraw/zinc/71/38/38/1077713838.db2.gz LATQJVHWUPQBHE-IRLDBZIGSA-N 1 0 411.502 2.924 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N[C@@H]3CC[C@@H]4SCCS[C@H]34)cccc21 ZINC000789692343 1077730039 /nfs/dbraw/zinc/73/00/39/1077730039.db2.gz SGUXKUPEXLIHJI-XLMAVXFVSA-N 1 0 421.588 2.506 20 0 HFADRO O=C(N[C@H]1Cc2ccc(Cl)cc2C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789669150 1077734456 /nfs/dbraw/zinc/73/44/56/1077734456.db2.gz STWJOBMZYQBRCK-RTWAWAEBSA-N 1 0 411.933 2.704 20 0 HFADRO C[C@@](O)(CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000792224110 1077750592 /nfs/dbraw/zinc/75/05/92/1077750592.db2.gz CRAMKAKNHMQWGX-HTAPYJJXSA-N 1 0 403.473 2.994 20 0 HFADRO CCc1c(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1C(CC)CC ZINC000792236309 1077758450 /nfs/dbraw/zinc/75/84/50/1077758450.db2.gz JIMWBXSKVATKKS-SFHVURJKSA-N 1 0 419.570 2.505 20 0 HFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1nc(Br)ccc1F ZINC000792238255 1077759749 /nfs/dbraw/zinc/75/97/49/1077759749.db2.gz MVOYDFORYWMTRO-GOEBONIOSA-N 1 0 422.298 2.596 20 0 HFADRO COc1cccc(/C=C(/C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)n2nnnc2C)c1 ZINC000746849273 1077761491 /nfs/dbraw/zinc/76/14/91/1077761491.db2.gz UWIIMYPAMRHNES-KJWQLESQSA-N 1 0 424.549 2.852 20 0 HFADRO CN1CCN(c2ccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)cc2Cl)CC1 ZINC000789727845 1077762890 /nfs/dbraw/zinc/76/28/90/1077762890.db2.gz OODJHEOSELJZHR-UHFFFAOYSA-N 1 0 422.982 2.954 20 0 HFADRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@@H]4CC5(CCC5)C(=O)O4)CC3)cc2NC1=O ZINC000792247764 1077763750 /nfs/dbraw/zinc/76/37/50/1077763750.db2.gz MVUFZJMDSJIACZ-PBHICJAKSA-N 1 0 412.486 2.787 20 0 HFADRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@H]4CC5(CCC5)C(=O)O4)CC3)cc2NC1=O ZINC000792247766 1077763861 /nfs/dbraw/zinc/76/38/61/1077763861.db2.gz MVUFZJMDSJIACZ-RHSMWYFYSA-N 1 0 412.486 2.787 20 0 HFADRO CC(C)(C)OC(=O)NC1(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)CCC1 ZINC000746852764 1077765142 /nfs/dbraw/zinc/76/51/42/1077765142.db2.gz OWSXHZVWEQLEAZ-UHFFFAOYSA-N 1 0 409.571 2.975 20 0 HFADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001170119658 1077774838 /nfs/dbraw/zinc/77/48/38/1077774838.db2.gz WPYMDZTUCPQBSF-MSOLQXFVSA-N 1 0 405.612 2.821 20 0 HFADRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792255864 1077781375 /nfs/dbraw/zinc/78/13/75/1077781375.db2.gz HHLIUJBNIKHCCE-AWEZNQCLSA-N 1 0 414.497 2.951 20 0 HFADRO Cc1nc(NC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)sc1C ZINC000789752087 1077783281 /nfs/dbraw/zinc/78/32/81/1077783281.db2.gz LWDIWXQVZUJGBW-UHFFFAOYSA-N 1 0 401.536 2.868 20 0 HFADRO C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000792265152 1077787036 /nfs/dbraw/zinc/78/70/36/1077787036.db2.gz WNVCLYKBIUJBIT-QRQLOZEOSA-N 1 0 402.539 2.673 20 0 HFADRO CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000746859118 1077793596 /nfs/dbraw/zinc/79/35/96/1077793596.db2.gz FTTRXUQGKPECSI-UHFFFAOYSA-N 1 0 409.571 2.927 20 0 HFADRO CCn1ccc(CN(C)C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1 ZINC000792298796 1077794876 /nfs/dbraw/zinc/79/48/76/1077794876.db2.gz HIFXVKAEPZELDD-UHFFFAOYSA-N 1 0 411.550 2.636 20 0 HFADRO C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000792308805 1077799511 /nfs/dbraw/zinc/79/95/11/1077799511.db2.gz HNGVXMMNNDHLME-OALUTQOASA-N 1 0 422.614 2.698 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccn(Cc3ccccn3)n2)c1 ZINC000792312289 1077802447 /nfs/dbraw/zinc/80/24/47/1077802447.db2.gz BJDNDGYEXCTOBW-UHFFFAOYSA-N 1 0 408.506 2.931 20 0 HFADRO CC(C)(C)OC(=O)Cc1cccnc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170165344 1077812230 /nfs/dbraw/zinc/81/22/30/1077812230.db2.gz BRAOOTXGBDPFIO-UHFFFAOYSA-N 1 0 411.506 2.834 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000789834809 1077814623 /nfs/dbraw/zinc/81/46/23/1077814623.db2.gz AYEAJJIMYXHYMT-IBGZPJMESA-N 1 0 415.534 2.839 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000792367362 1077818283 /nfs/dbraw/zinc/81/82/83/1077818283.db2.gz UBJDSLWUZQVWSA-HNNXBMFYSA-N 1 0 406.408 2.677 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000792330623 1077821372 /nfs/dbraw/zinc/82/13/72/1077821372.db2.gz DXGSPGCEGGRCCE-OALUTQOASA-N 1 0 412.571 2.656 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789815482 1077824187 /nfs/dbraw/zinc/82/41/87/1077824187.db2.gz DGVQVMLYWJAJFS-SFHVURJKSA-N 1 0 403.523 2.539 20 0 HFADRO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792389272 1077831746 /nfs/dbraw/zinc/83/17/46/1077831746.db2.gz KEUWKCROJHPBJL-OAHLLOKOSA-N 1 0 406.454 2.521 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1cc(Br)cs1 ZINC000789879147 1077833316 /nfs/dbraw/zinc/83/33/16/1077833316.db2.gz WKQFBGUXYCALQR-UHFFFAOYSA-N 1 0 424.364 2.847 20 0 HFADRO CCn1cc([C@@H](O)C[N@H+](CCc2nnnn2-c2ccccc2)Cc2ccccc2)cn1 ZINC000792376236 1077843343 /nfs/dbraw/zinc/84/33/43/1077843343.db2.gz LABXCARMYVDBDJ-QFIPXVFZSA-N 1 0 417.517 2.657 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cc(C(=O)N2CCCCC2)ccn1 ZINC001170167075 1077867339 /nfs/dbraw/zinc/86/73/39/1077867339.db2.gz UPWVSSGPZOPOQM-UHFFFAOYSA-N 1 0 408.506 2.576 20 0 HFADRO COC[C@H](Cc1ccccc1)N(C)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792478174 1077874951 /nfs/dbraw/zinc/87/49/51/1077874951.db2.gz IKIUIECFNBXWMF-FQEVSTJZSA-N 1 0 419.566 2.645 20 0 HFADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3ccn(CC(F)F)n3)CC2)c1C ZINC000789932585 1077877359 /nfs/dbraw/zinc/87/73/59/1077877359.db2.gz VTLFRILCSMTSSZ-UHFFFAOYSA-N 1 0 421.492 2.905 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000789974955 1077878681 /nfs/dbraw/zinc/87/86/81/1077878681.db2.gz LNOAQHIYUBALPA-NVXWUHKLSA-N 1 0 418.538 2.902 20 0 HFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000789985577 1077885703 /nfs/dbraw/zinc/88/57/03/1077885703.db2.gz GWZKISQGWKNQHF-SLFFLAALSA-N 1 0 410.518 2.521 20 0 HFADRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000746868327 1077887188 /nfs/dbraw/zinc/88/71/88/1077887188.db2.gz WQBFEMZIUSNHTL-HSZRJFAPSA-N 1 0 410.518 2.644 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)CCO1 ZINC001170169637 1077893243 /nfs/dbraw/zinc/89/32/43/1077893243.db2.gz OPOQXCSSGNQWIA-JQHSSLGASA-N 1 0 407.486 2.535 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)c1ccc(I)cc1 ZINC000792545372 1077898875 /nfs/dbraw/zinc/89/88/75/1077898875.db2.gz BDMOPBLMLODOIZ-UHFFFAOYSA-N 1 0 406.179 2.979 20 0 HFADRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792548426 1077899421 /nfs/dbraw/zinc/89/94/21/1077899421.db2.gz AURSODFKIDXFNP-UHFFFAOYSA-N 1 0 403.442 2.610 20 0 HFADRO Cn1ncc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1Br ZINC000792553507 1077901207 /nfs/dbraw/zinc/90/12/07/1077901207.db2.gz XPBMSYSPGPNEFD-UHFFFAOYSA-N 1 0 409.250 2.718 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Br)nc1N ZINC001170193627 1077905003 /nfs/dbraw/zinc/90/50/03/1077905003.db2.gz IHMFZUZJASHORV-UHFFFAOYSA-N 1 0 418.383 2.676 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)CCO1 ZINC001170210917 1077908323 /nfs/dbraw/zinc/90/83/23/1077908323.db2.gz YJUIGTOSVNPXEB-HLAWJBBLSA-N 1 0 401.551 2.930 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC(c3cc4c(ncn4C)c(N4CCOCC4)n3)CC2)CCO1 ZINC001170214068 1077908565 /nfs/dbraw/zinc/90/85/65/1077908565.db2.gz MDXJANGYHZXLHA-RTBURBONSA-N 1 0 413.566 2.942 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3CC)CCO1 ZINC001170213771 1077908645 /nfs/dbraw/zinc/90/86/45/1077908645.db2.gz JPYFGMNOKPWXDI-VQTJNVASSA-N 1 0 412.582 2.868 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@H]3C)CCO1 ZINC001170214225 1077908836 /nfs/dbraw/zinc/90/88/36/1077908836.db2.gz MQXINACSPISQQF-ZYSHUDEJSA-N 1 0 407.580 2.991 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000790014401 1077913360 /nfs/dbraw/zinc/91/33/60/1077913360.db2.gz GLAUFRJDTNCHDX-UHFFFAOYSA-N 1 0 411.568 2.674 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792577337 1077914276 /nfs/dbraw/zinc/91/42/76/1077914276.db2.gz FPOVVHJUEYNYEU-HSALFYBXSA-N 1 0 411.546 2.834 20 0 HFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000790027941 1077919175 /nfs/dbraw/zinc/91/91/75/1077919175.db2.gz WHLUGQTZXATBFO-MAUKXSAKSA-N 1 0 411.568 2.672 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000790051347 1077931182 /nfs/dbraw/zinc/93/11/82/1077931182.db2.gz FKLAQVUWZMYPMN-UGKGYDQZSA-N 1 0 414.594 2.524 20 0 HFADRO COCCOC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1C ZINC000746875385 1077932777 /nfs/dbraw/zinc/93/27/77/1077932777.db2.gz RZRPDSYQTXUVAB-UHFFFAOYSA-N 1 0 405.539 2.962 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)N1Cc2nccn2C[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC001170281270 1077936864 /nfs/dbraw/zinc/93/68/64/1077936864.db2.gz CMPRSQPWNUQCFB-RBUKOAKNSA-N 1 0 401.986 2.847 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001170283498 1077937301 /nfs/dbraw/zinc/93/73/01/1077937301.db2.gz MDKVIPHMGFKWBT-VVHHDAOASA-N 1 0 402.926 2.666 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000772809699 1077940226 /nfs/dbraw/zinc/94/02/26/1077940226.db2.gz MZOIRDQTELLJNP-OAQYLSRUSA-N 1 0 411.502 2.733 20 0 HFADRO C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790113625 1077941836 /nfs/dbraw/zinc/94/18/36/1077941836.db2.gz LYPQBBORPRPPOG-DYVFJYSZSA-N 1 0 403.918 2.859 20 0 HFADRO CC1=C(C)C(=O)N(CCC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1=O ZINC001170320425 1077942326 /nfs/dbraw/zinc/94/23/26/1077942326.db2.gz LYGOUAJSPDMRJJ-MRXNPFEDSA-N 1 0 411.424 2.520 20 0 HFADRO C[C@]1(c2cccnc2N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)NC(=O)NC1=O ZINC001170330659 1077944975 /nfs/dbraw/zinc/94/49/75/1077944975.db2.gz FLCWSVJABPXCKW-PRHHBONVSA-N 1 0 405.502 2.744 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[N@@H+]2CC[C@H](O)C23CCCC3)C1 ZINC001206047595 1077948484 /nfs/dbraw/zinc/94/84/84/1077948484.db2.gz JSLMHLVYOMDSOB-AEFFLSMTSA-N 1 0 405.543 2.730 20 0 HFADRO COc1ccc([C@@H]2CCCCCN2C(=O)CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC001170352199 1077948505 /nfs/dbraw/zinc/94/85/05/1077948505.db2.gz USKIBZGRSNFQLV-JQVVWYNYSA-N 1 0 403.567 2.526 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000790121991 1077958169 /nfs/dbraw/zinc/95/81/69/1077958169.db2.gz PTTYWYZUNHVKFA-IBGZPJMESA-N 1 0 402.564 2.806 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC001170417404 1077964522 /nfs/dbraw/zinc/96/45/22/1077964522.db2.gz KKEIUHFVHIONHR-OKZBNKHCSA-N 1 0 406.523 2.944 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000790189482 1077966772 /nfs/dbraw/zinc/96/67/72/1077966772.db2.gz JOYRKKUXXFABQV-BHIFYINESA-N 1 0 411.550 2.775 20 0 HFADRO O=C(COC(=O)Cc1ccc(Cl)cn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000792710755 1077971896 /nfs/dbraw/zinc/97/18/96/1077971896.db2.gz FUJLANGNWFBRHM-UHFFFAOYSA-N 1 0 401.894 2.733 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)cccc21 ZINC000790236668 1077973681 /nfs/dbraw/zinc/97/36/81/1077973681.db2.gz LLLPPNYDVNWYON-INIZCTEOSA-N 1 0 419.503 2.702 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)Cc2ccc(Cl)cn2)CC1 ZINC000792719934 1077974037 /nfs/dbraw/zinc/97/40/37/1077974037.db2.gz YPXNPTWJMXTJRA-UHFFFAOYSA-N 1 0 415.921 2.864 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000790272349 1077992640 /nfs/dbraw/zinc/99/26/40/1077992640.db2.gz DCGWSGHWYCILIL-HXUWFJFHSA-N 1 0 413.543 2.728 20 0 HFADRO Cc1ccc(CCC[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cn1 ZINC000792796787 1077994591 /nfs/dbraw/zinc/99/45/91/1077994591.db2.gz CVPSOWNJMNCEBY-IBGZPJMESA-N 1 0 404.555 2.676 20 0 HFADRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000790315278 1077995206 /nfs/dbraw/zinc/99/52/06/1077995206.db2.gz WSJHRVBBWGGQSU-TVTNDZMWSA-N 1 0 409.571 2.830 20 0 HFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000790361898 1078004438 /nfs/dbraw/zinc/00/44/38/1078004438.db2.gz HSIOGOWWITYFND-CYBMUJFWSA-N 1 0 410.433 2.766 20 0 HFADRO C[C@H](O)[C@@](C)(CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000790363044 1078004594 /nfs/dbraw/zinc/00/45/94/1078004594.db2.gz SCKPWYTUOUMWOK-QTGUNEKASA-N 1 0 403.567 2.559 20 0 HFADRO CCCN(CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362373 1078004787 /nfs/dbraw/zinc/00/47/87/1078004787.db2.gz KZFZLPHHXUGXDS-GCJKJVERSA-N 1 0 422.570 2.582 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCc3cccc(Br)c3C1)C[NH+]1CCC2CC1 ZINC000790363866 1078005103 /nfs/dbraw/zinc/00/51/03/1078005103.db2.gz VUVJQHVNRANCCH-LJQANCHMSA-N 1 0 406.324 2.681 20 0 HFADRO CC(C)[C@@H](CCN(C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363685 1078005251 /nfs/dbraw/zinc/00/52/51/1078005251.db2.gz BJQAEHVORDIIEX-GCJKJVERSA-N 1 0 424.586 2.732 20 0 HFADRO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792857380 1078009549 /nfs/dbraw/zinc/00/95/49/1078009549.db2.gz YYTNHVMVVZAEIQ-DXIQSLLYSA-N 1 0 400.523 2.714 20 0 HFADRO COc1ncc(C(=O)O[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000792862041 1078010622 /nfs/dbraw/zinc/01/06/22/1078010622.db2.gz PSUXQOYYVQKXSO-YOEHRIQHSA-N 1 0 417.893 2.680 20 0 HFADRO CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790387567 1078012010 /nfs/dbraw/zinc/01/20/10/1078012010.db2.gz QRAIULQXXFLNET-PGRDOPGGSA-N 1 0 422.570 2.582 20 0 HFADRO C[C@@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CC2(CCOCC2)O1 ZINC000790391968 1078013158 /nfs/dbraw/zinc/01/31/58/1078013158.db2.gz HAOSSMDVXBUNOL-CQSZACIVSA-N 1 0 407.308 2.991 20 0 HFADRO CN(CCOc1ccc(C(F)(F)F)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790392342 1078013740 /nfs/dbraw/zinc/01/37/40/1078013740.db2.gz ZUTWDCYUNPSVTR-LJQANCHMSA-N 1 0 413.440 2.890 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)Cc2ccccc2C1 ZINC000790394788 1078014307 /nfs/dbraw/zinc/01/43/07/1078014307.db2.gz WBDZNINPYNFCOP-UHFFFAOYSA-N 1 0 412.509 2.873 20 0 HFADRO O=C1O[C@@]2(CN1CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C[NH+]1CCC2CC1 ZINC000790365434 1078015340 /nfs/dbraw/zinc/01/53/40/1078015340.db2.gz DFIDLGPQZCRKML-KCQAQPDRSA-N 1 0 415.378 2.923 20 0 HFADRO O=C1O[C@@]2(CN1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1)C[NH+]1CCC2CC1 ZINC000790367222 1078015742 /nfs/dbraw/zinc/01/57/42/1078015742.db2.gz HONGBRXHJSYXRG-RBBKRZOGSA-N 1 0 403.498 2.681 20 0 HFADRO CN(Cc1cc(Br)cs1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790369063 1078015942 /nfs/dbraw/zinc/01/59/42/1078015942.db2.gz PDKLJPBSDGNFAS-INIZCTEOSA-N 1 0 400.342 2.817 20 0 HFADRO O=C1O[C@]2(CN1CN1CCc3sc(Br)cc3C1)C[NH+]1CCC2CC1 ZINC000790369921 1078016385 /nfs/dbraw/zinc/01/63/85/1078016385.db2.gz LXQDHOBLRTULOC-KRWDZBQOSA-N 1 0 412.353 2.743 20 0 HFADRO COc1ccc(OC)c([C@@H]2CCCN2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790371184 1078016925 /nfs/dbraw/zinc/01/69/25/1078016925.db2.gz VOXWNJJCBUXLQA-UGKGYDQZSA-N 1 0 401.507 2.715 20 0 HFADRO Fc1ccc(I)c(F)c1C[NH2+]CCc1nnc2ccccn21 ZINC000792887767 1078017324 /nfs/dbraw/zinc/01/73/24/1078017324.db2.gz BRRQNDDRFGDJAV-UHFFFAOYSA-N 1 0 414.197 2.944 20 0 HFADRO O=C1O[C@]2(CN1CN1CCc3c(F)cc(Br)cc3C1)C[NH+]1CCC2CC1 ZINC000790373332 1078017822 /nfs/dbraw/zinc/01/78/22/1078017822.db2.gz RVFFQXVKJGRFLK-IBGZPJMESA-N 1 0 424.314 2.820 20 0 HFADRO CCOC(=O)c1ccn(-c2cccc(CNC(=O)NC[C@@H](C)[NH+]3CCCCC3)c2)n1 ZINC000792892799 1078018186 /nfs/dbraw/zinc/01/81/86/1078018186.db2.gz GQOOUQZBSLJGHA-QGZVFWFLSA-N 1 0 413.522 2.723 20 0 HFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792908546 1078020864 /nfs/dbraw/zinc/02/08/64/1078020864.db2.gz PIDBUKISVJPYBP-UGKGYDQZSA-N 1 0 402.539 2.819 20 0 HFADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)CC1 ZINC000790417775 1078021916 /nfs/dbraw/zinc/02/19/16/1078021916.db2.gz OPOYUHPLSHOFJK-UHFFFAOYSA-N 1 0 408.518 2.663 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000792945128 1078023353 /nfs/dbraw/zinc/02/33/53/1078023353.db2.gz VIYJYFMETMCMMY-INIZCTEOSA-N 1 0 404.511 2.655 20 0 HFADRO CNS(=O)(=O)c1cccc2c1CC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000792923193 1078026789 /nfs/dbraw/zinc/02/67/89/1078026789.db2.gz UTQXXRNDGGMCKP-UHFFFAOYSA-N 1 0 423.579 2.600 20 0 HFADRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438853 1078031327 /nfs/dbraw/zinc/03/13/27/1078031327.db2.gz NUHOZYPZXNTOEQ-MSOLQXFVSA-N 1 0 413.518 2.798 20 0 HFADRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438861 1078031344 /nfs/dbraw/zinc/03/13/44/1078031344.db2.gz NUHOZYPZXNTOEQ-ROUUACIJSA-N 1 0 413.518 2.798 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)c2ccc1Br ZINC000790438318 1078031614 /nfs/dbraw/zinc/03/16/14/1078031614.db2.gz ILGQYCQUFKKXKC-GFCCVEGCSA-N 1 0 423.311 2.520 20 0 HFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)n2)cc1 ZINC000792953497 1078033941 /nfs/dbraw/zinc/03/39/41/1078033941.db2.gz PWDVKROBHGXCGW-UHFFFAOYSA-N 1 0 404.898 2.711 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CN1C[C@@]3(CCOC3)CC1=O)CC2 ZINC000790453441 1078036469 /nfs/dbraw/zinc/03/64/69/1078036469.db2.gz WBJAGQLIOSLMGS-JOCHJYFZSA-N 1 0 407.555 2.696 20 0 HFADRO COc1ccccc1NC(=O)C1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792961028 1078036560 /nfs/dbraw/zinc/03/65/60/1078036560.db2.gz XDDWFJPHZJSXSJ-QGZVFWFLSA-N 1 0 421.538 2.621 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000792966369 1078037660 /nfs/dbraw/zinc/03/76/60/1078037660.db2.gz YYVYCHAXMHNXNS-UHFFFAOYSA-N 1 0 423.355 2.897 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)nc1Br ZINC000792967629 1078037951 /nfs/dbraw/zinc/03/79/51/1078037951.db2.gz CQVZAYQDGHRPMS-YRGRVCCFSA-N 1 0 411.344 2.574 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000792967604 1078038021 /nfs/dbraw/zinc/03/80/21/1078038021.db2.gz BXHWGOUZUNBOAE-UHFFFAOYSA-N 1 0 423.286 2.512 20 0 HFADRO Cc1nn(C)c(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1Br ZINC000790473170 1078039282 /nfs/dbraw/zinc/03/92/82/1078039282.db2.gz NLXGLEZCVYUJAZ-ZDUSSCGKSA-N 1 0 416.703 2.739 20 0 HFADRO Cn1ccc2ccc(NC(=O)C(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc2c1=O ZINC000792969977 1078039505 /nfs/dbraw/zinc/03/95/05/1078039505.db2.gz RBQUJJJCZJYEDE-UHFFFAOYSA-N 1 0 424.545 2.638 20 0 HFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1 ZINC000792986686 1078040876 /nfs/dbraw/zinc/04/08/76/1078040876.db2.gz BSDNIIQQOUCVJL-PMACEKPBSA-N 1 0 402.539 2.676 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CC[N@@H+]1C ZINC000792985040 1078041014 /nfs/dbraw/zinc/04/10/14/1078041014.db2.gz JBIDLOTVEHBOES-YZGWKJHDSA-N 1 0 402.539 2.817 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1cccc(Br)n1 ZINC000792987775 1078041285 /nfs/dbraw/zinc/04/12/85/1078041285.db2.gz XKVXVSGXPLMJPC-HNNXBMFYSA-N 1 0 417.307 2.563 20 0 HFADRO C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)Nc3ccccc3)CC2)C1 ZINC001170137240 1078041479 /nfs/dbraw/zinc/04/14/79/1078041479.db2.gz NIMQLMWMEVVTQC-RYTRXMBJSA-N 1 0 419.591 2.930 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1Br ZINC000793019830 1078042401 /nfs/dbraw/zinc/04/24/01/1078042401.db2.gz VRFDTTJEBNFRAQ-UONOGXRCSA-N 1 0 423.355 2.860 20 0 HFADRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000790486386 1078042532 /nfs/dbraw/zinc/04/25/32/1078042532.db2.gz ADVSLWUZOXHCPU-MOPGFXCFSA-N 1 0 405.587 2.979 20 0 HFADRO O=C(NC[C@H]1CC1(Cl)Cl)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000747310898 1079509651 /nfs/dbraw/zinc/50/96/51/1079509651.db2.gz AWDJBHBHBMGCGS-CQSZACIVSA-N 1 0 416.374 2.526 20 0 HFADRO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC001170501954 1079509940 /nfs/dbraw/zinc/50/99/40/1079509940.db2.gz VLDWHZMULXKONI-HNNXBMFYSA-N 1 0 400.910 2.978 20 0 HFADRO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC001170501956 1079509985 /nfs/dbraw/zinc/50/99/85/1079509985.db2.gz VLDWHZMULXKONI-OAHLLOKOSA-N 1 0 400.910 2.978 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000806254094 1079521984 /nfs/dbraw/zinc/52/19/84/1079521984.db2.gz QYRUCZSTROFSBX-FGTMMUONSA-N 1 0 407.580 2.543 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc3ccccc3)C1)CCC2 ZINC000806299381 1079551786 /nfs/dbraw/zinc/55/17/86/1079551786.db2.gz XZDASHJSVGLVKL-LEWJYISDSA-N 1 0 423.561 2.691 20 0 HFADRO C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806300614 1079553024 /nfs/dbraw/zinc/55/30/24/1079553024.db2.gz OBYJKSCJWTYEIN-ABHRYQDASA-N 1 0 420.501 2.838 20 0 HFADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747316733 1079567456 /nfs/dbraw/zinc/56/74/56/1079567456.db2.gz GSGSIRNPZYMBSH-UHFFFAOYSA-N 1 0 406.446 2.754 20 0 HFADRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)[C@@H](C)C[N@@H+]1C ZINC001130589763 1079570504 /nfs/dbraw/zinc/57/05/04/1079570504.db2.gz RCHRFWSRYKNPCP-VVLHAWIVSA-N 1 0 407.942 2.507 20 0 HFADRO C[C@H]1[C@@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000806293268 1079579562 /nfs/dbraw/zinc/57/95/62/1079579562.db2.gz ZKUKEUACFBWZJP-LIRRHRJNSA-N 1 0 402.445 2.866 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000806319048 1079589744 /nfs/dbraw/zinc/58/97/44/1079589744.db2.gz GNKHFWHEPLBDDK-IEBWSBKVSA-N 1 0 420.558 2.700 20 0 HFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747325465 1079598251 /nfs/dbraw/zinc/59/82/51/1079598251.db2.gz KMMDDIYCEOKLBP-WMZOPIPTSA-N 1 0 421.950 2.897 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000806332696 1079604284 /nfs/dbraw/zinc/60/42/84/1079604284.db2.gz ALHFJBGFKTZBDH-SFHVURJKSA-N 1 0 420.558 2.933 20 0 HFADRO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596837 1079615752 /nfs/dbraw/zinc/61/57/52/1079615752.db2.gz SFPHNJACMNALKY-BFUACXKISA-N 1 0 400.567 2.722 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)c1cccc(OC)c1 ZINC000806350518 1079623235 /nfs/dbraw/zinc/62/32/35/1079623235.db2.gz MXZPBMQPLVHDCX-UYAOXDASSA-N 1 0 420.554 2.998 20 0 HFADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)no1 ZINC001130610897 1079630467 /nfs/dbraw/zinc/63/04/67/1079630467.db2.gz WSUCSERJOFBDLF-KKSFZXQISA-N 1 0 416.547 2.824 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000806388936 1079639814 /nfs/dbraw/zinc/63/98/14/1079639814.db2.gz JLGLGIBBWVOHBQ-UFYCRDLUSA-N 1 0 421.557 2.723 20 0 HFADRO Cc1ccc(NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(N(C)C)n1 ZINC000806362570 1079650092 /nfs/dbraw/zinc/65/00/92/1079650092.db2.gz VYPNYHKSEJAPPB-NRFANRHFSA-N 1 0 422.577 2.880 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)CCC2 ZINC000806426186 1079671138 /nfs/dbraw/zinc/67/11/38/1079671138.db2.gz YSKLBZICOMLMFC-IEBWSBKVSA-N 1 0 412.559 2.726 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000806404922 1079692826 /nfs/dbraw/zinc/69/28/26/1079692826.db2.gz LFGAJQSLBPBPOV-VQTJNVASSA-N 1 0 424.586 2.578 20 0 HFADRO COCC(=O)Nc1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc1 ZINC000806408601 1079697251 /nfs/dbraw/zinc/69/72/51/1079697251.db2.gz ALMXWSNGQPPTGJ-UHFFFAOYSA-N 1 0 421.501 2.949 20 0 HFADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000806502131 1079752405 /nfs/dbraw/zinc/75/24/05/1079752405.db2.gz JUPZUWGRWGAWQZ-JSXRDJHFSA-N 1 0 401.551 2.602 20 0 HFADRO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000747331838 1079753362 /nfs/dbraw/zinc/75/33/62/1079753362.db2.gz AZINEODKTNPITJ-MOPGFXCFSA-N 1 0 419.522 2.573 20 0 HFADRO CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000806474688 1079761380 /nfs/dbraw/zinc/76/13/80/1079761380.db2.gz DBUCQHBGWWENFG-QXAKKESOSA-N 1 0 421.632 2.635 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000806480293 1079764992 /nfs/dbraw/zinc/76/49/92/1079764992.db2.gz HDPBLOOHXDDPOW-LPHOPBHVSA-N 1 0 418.563 2.601 20 0 HFADRO CC(C)C[C@H](CNC(=O)C(=O)NC[C@H]1CSCCS1)[NH2+][C@H](C)c1ccccc1 ZINC000806478524 1079765247 /nfs/dbraw/zinc/76/52/47/1079765247.db2.gz PPFXXZRZQLHZOD-QRQLOZEOSA-N 1 0 423.648 2.833 20 0 HFADRO COC1CCC(CCNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000806541417 1079778010 /nfs/dbraw/zinc/77/80/10/1079778010.db2.gz SERKIXNNGRLWJO-NFDBJIOVSA-N 1 0 415.578 2.726 20 0 HFADRO CNS(=O)(=O)c1cc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)ccc1F ZINC000806545879 1079785004 /nfs/dbraw/zinc/78/50/04/1079785004.db2.gz GEXXEZOECOTHED-UHFFFAOYSA-N 1 0 412.531 2.652 20 0 HFADRO COC(=O)[C@@]1(NC(=O)[C@@H](OC)c2ccc(F)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130661478 1079808764 /nfs/dbraw/zinc/80/87/64/1079808764.db2.gz YZOXISQOPZTFOS-NZQKXSOJSA-N 1 0 414.477 2.837 20 0 HFADRO COC(=O)[C@@]1(NC(=O)[C@H](OC)c2ccc(F)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130661475 1079808841 /nfs/dbraw/zinc/80/88/41/1079808841.db2.gz YZOXISQOPZTFOS-NFBKMPQASA-N 1 0 414.477 2.837 20 0 HFADRO O=C(c1ccccc1OCc1cn2ccccc2n1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747334649 1079832593 /nfs/dbraw/zinc/83/25/93/1079832593.db2.gz HEJGUWASSLHNKF-UHFFFAOYSA-N 1 0 420.513 2.850 20 0 HFADRO C[NH+](C)C[C@H](NC(=S)NCCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000806593575 1079836469 /nfs/dbraw/zinc/83/64/69/1079836469.db2.gz JBIRBNKONXEUNL-SFHVURJKSA-N 1 0 403.523 2.906 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3ccnc(-n4ccnc4)c3)cc2)CC1 ZINC000806656164 1079874366 /nfs/dbraw/zinc/87/43/66/1079874366.db2.gz SOGWPHQYVLQTRE-UHFFFAOYSA-N 1 0 420.517 2.740 20 0 HFADRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000747344139 1079907414 /nfs/dbraw/zinc/90/74/14/1079907414.db2.gz UYKDSDBGTRLMFQ-SJORKVTESA-N 1 0 411.550 2.965 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000806724102 1079948681 /nfs/dbraw/zinc/94/86/81/1079948681.db2.gz KWXICPDFPWVTNF-LJQANCHMSA-N 1 0 405.539 2.733 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000806728190 1079952490 /nfs/dbraw/zinc/95/24/90/1079952490.db2.gz LHBRVACTWVBHHW-QUCCMNQESA-N 1 0 415.578 2.643 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729333 1079952996 /nfs/dbraw/zinc/95/29/96/1079952996.db2.gz MHCKTXVUISFBDZ-PGRDOPGGSA-N 1 0 423.557 2.557 20 0 HFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729077 1079953545 /nfs/dbraw/zinc/95/35/45/1079953545.db2.gz JAPGORNEBCHPDM-IBGZPJMESA-N 1 0 423.557 2.653 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000806731558 1079956301 /nfs/dbraw/zinc/95/63/01/1079956301.db2.gz GXJKNGSYYKTQRM-HXUWFJFHSA-N 1 0 415.578 2.645 20 0 HFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806753665 1079968763 /nfs/dbraw/zinc/96/87/63/1079968763.db2.gz XHNLFPSNUVFETG-REWPJTCUSA-N 1 0 410.562 2.568 20 0 HFADRO COC(=O)c1cc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ccc1C ZINC001130733347 1079972056 /nfs/dbraw/zinc/97/20/56/1079972056.db2.gz OTVJRJZMOSQVPI-YADHBBJMSA-N 1 0 408.498 2.897 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733392 1079972097 /nfs/dbraw/zinc/97/20/97/1079972097.db2.gz PNGHUGZYGNOKDJ-OALUTQOASA-N 1 0 401.457 2.984 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)CC1 ZINC000806759284 1079977446 /nfs/dbraw/zinc/97/74/46/1079977446.db2.gz WZCIKJOMMKIGKN-QGZVFWFLSA-N 1 0 412.575 2.575 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000806759052 1079977454 /nfs/dbraw/zinc/97/74/54/1079977454.db2.gz VQERJNVRTWIPIA-KRWDZBQOSA-N 1 0 412.575 2.576 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000806761058 1079979933 /nfs/dbraw/zinc/97/99/33/1079979933.db2.gz XUARKTHGLCASIR-HKUYNNGSSA-N 1 0 420.554 2.997 20 0 HFADRO COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)C1 ZINC001130742355 1080006044 /nfs/dbraw/zinc/00/60/44/1080006044.db2.gz TULNEVXBVBSCSL-OALUTQOASA-N 1 0 417.550 2.621 20 0 HFADRO COC(=O)c1ccc(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)cc1 ZINC001130742244 1080006129 /nfs/dbraw/zinc/00/61/29/1080006129.db2.gz OXBNWYHFNMLVPL-UHFFFAOYSA-N 1 0 411.502 2.742 20 0 HFADRO COCCN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801296 1080018469 /nfs/dbraw/zinc/01/84/69/1080018469.db2.gz UPAOHYVVVHPXMU-UHFFFAOYSA-N 1 0 413.238 2.905 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)C1 ZINC001170512130 1080025788 /nfs/dbraw/zinc/02/57/88/1080025788.db2.gz FVVGHQHVJJSKOR-KURKYZTESA-N 1 0 416.518 2.607 20 0 HFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000806814816 1080028288 /nfs/dbraw/zinc/02/82/88/1080028288.db2.gz IDBRHBQFMOSAKM-CYBMUJFWSA-N 1 0 415.763 2.740 20 0 HFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3nc(Br)sc3C3CC3)C2)CC1 ZINC000806843144 1080029239 /nfs/dbraw/zinc/02/92/39/1080029239.db2.gz DQPRHYFWCXYELZ-GFCCVEGCSA-N 1 0 413.385 2.681 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000806831256 1080045051 /nfs/dbraw/zinc/04/50/51/1080045051.db2.gz VVUOHYYWWLGBNG-KRWDZBQOSA-N 1 0 401.532 2.867 20 0 HFADRO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000806838124 1080051144 /nfs/dbraw/zinc/05/11/44/1080051144.db2.gz QAMDSBMUHVOTCZ-PMACEKPBSA-N 1 0 424.586 2.722 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@H](C)C(F)(F)F)[NH+]1CCCCC1 ZINC000806856712 1080060685 /nfs/dbraw/zinc/06/06/85/1080060685.db2.gz JNCRTYMXBRHSBR-ZIAGYGMSSA-N 1 0 401.429 2.945 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000806856992 1080061829 /nfs/dbraw/zinc/06/18/29/1080061829.db2.gz LXNDYAAJLZCNQG-UHFFFAOYSA-N 1 0 401.551 2.967 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806869786 1080070151 /nfs/dbraw/zinc/07/01/51/1080070151.db2.gz AGPTZLMTDFNNHP-UHFFFAOYSA-N 1 0 419.472 2.721 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1 ZINC000806873358 1080073878 /nfs/dbraw/zinc/07/38/78/1080073878.db2.gz ZJBYOPOSZLRJKO-OAQYLSRUSA-N 1 0 402.583 2.532 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)C1 ZINC000806897395 1080104464 /nfs/dbraw/zinc/10/44/64/1080104464.db2.gz JNQXBXRLTYJBNS-QZTJIDSGSA-N 1 0 401.551 2.966 20 0 HFADRO CC(C)[NH+](CCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)C(C)C ZINC000806897038 1080104952 /nfs/dbraw/zinc/10/49/52/1080104952.db2.gz NSCGCOUZUYWRLS-RTBURBONSA-N 1 0 412.575 2.575 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000806901127 1080108548 /nfs/dbraw/zinc/10/85/48/1080108548.db2.gz GBPHDJNQXZYUDP-SFHVURJKSA-N 1 0 405.461 2.921 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000806908209 1080114441 /nfs/dbraw/zinc/11/44/41/1080114441.db2.gz ZQLPXPSKMCVSTF-APWZRJJASA-N 1 0 400.589 2.514 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000806908211 1080115270 /nfs/dbraw/zinc/11/52/70/1080115270.db2.gz ZQLPXPSKMCVSTF-QFBILLFUSA-N 1 0 400.589 2.514 20 0 HFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000806945000 1080155187 /nfs/dbraw/zinc/15/51/87/1080155187.db2.gz GRKPVRGBZRGFLQ-DLBZAZTESA-N 1 0 420.554 2.673 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c(C(C)=O)c3)cc2)CC1 ZINC000806993552 1080172183 /nfs/dbraw/zinc/17/21/83/1080172183.db2.gz BUVGXZCSXCPHIN-UHFFFAOYSA-N 1 0 412.465 2.747 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(C(C)(C)O)c3)c(C)c2)CC1 ZINC000806994929 1080172670 /nfs/dbraw/zinc/17/26/70/1080172670.db2.gz ZTOGQDXSWHQTMP-UHFFFAOYSA-N 1 0 424.545 2.942 20 0 HFADRO C[C@@]1(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C[NH+]2CCC1CC2 ZINC001130798633 1080185348 /nfs/dbraw/zinc/18/53/48/1080185348.db2.gz IPBQXQRQSQUUID-GOSISDBHSA-N 1 0 409.328 2.561 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCCC1CCC1 ZINC000807042713 1080201205 /nfs/dbraw/zinc/20/12/05/1080201205.db2.gz QWYCECFOGARMNT-UHFFFAOYSA-N 1 0 410.356 2.646 20 0 HFADRO CCOC(=O)c1cc(=NC2=C(C(=O)OCC)C[NH2+]CC2)[nH]c2nc(Cl)ccc12 ZINC001170516757 1080241370 /nfs/dbraw/zinc/24/13/70/1080241370.db2.gz YCRHWRLJGLNDEL-UHFFFAOYSA-N 1 0 404.854 2.682 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807084139 1080261635 /nfs/dbraw/zinc/26/16/35/1080261635.db2.gz MQUHNHFUOXLTCJ-IHPCNDPISA-N 1 0 402.539 2.817 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000807088374 1080266719 /nfs/dbraw/zinc/26/67/19/1080266719.db2.gz AFTGEOKISSSQRK-DBXWQHBBSA-N 1 0 401.551 2.507 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[NH+]1CCCCC1 ZINC000807090722 1080269255 /nfs/dbraw/zinc/26/92/55/1080269255.db2.gz XZNCZVLDVLEDIW-RXVVDRJESA-N 1 0 401.551 2.651 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000807113538 1080291165 /nfs/dbraw/zinc/29/11/65/1080291165.db2.gz FTNRBXJQUAPLGN-XZYOPWHXSA-N 1 0 420.557 2.670 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807189470 1080338620 /nfs/dbraw/zinc/33/86/20/1080338620.db2.gz VVWWQSQYHCMRQP-UXHICEINSA-N 1 0 402.539 2.819 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)cc2)CC1 ZINC000807192579 1080342040 /nfs/dbraw/zinc/34/20/40/1080342040.db2.gz JEZJEZVNOZTNNP-UHFFFAOYSA-N 1 0 401.898 2.617 20 0 HFADRO CNC(=O)CC[C@@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807204117 1080350184 /nfs/dbraw/zinc/35/01/84/1080350184.db2.gz VSMOBODFIWLVMX-REWPJTCUSA-N 1 0 400.567 2.989 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)NCCCNC(=O)/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000807212422 1080362605 /nfs/dbraw/zinc/36/26/05/1080362605.db2.gz CEBCTXQBDFCJKL-GUSDMMFLSA-N 1 0 412.509 2.947 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)C2)cc1F ZINC000807214045 1080363729 /nfs/dbraw/zinc/36/37/29/1080363729.db2.gz KPRYFVZKCVRDEN-URLQWDBASA-N 1 0 404.486 2.596 20 0 HFADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)CCCO1 ZINC000807180695 1080373523 /nfs/dbraw/zinc/37/35/23/1080373523.db2.gz LGORAJAEAURDSD-UYAOXDASSA-N 1 0 424.586 2.720 20 0 HFADRO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000807181095 1080373670 /nfs/dbraw/zinc/37/36/70/1080373670.db2.gz NVSPEQATKOPFOI-PBHICJAKSA-N 1 0 403.445 2.539 20 0 HFADRO NC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1Cl ZINC000807225134 1080384492 /nfs/dbraw/zinc/38/44/92/1080384492.db2.gz CAPFAOVJLCSVNL-KBAYOESNSA-N 1 0 412.921 2.864 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000807254895 1080412698 /nfs/dbraw/zinc/41/26/98/1080412698.db2.gz HNVFAIVCDRMPIU-GOSISDBHSA-N 1 0 418.538 2.580 20 0 HFADRO C[NH+](C)CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C1CC1 ZINC000807265587 1080417500 /nfs/dbraw/zinc/41/75/00/1080417500.db2.gz JSSSQYPINWIFFN-UHFFFAOYSA-N 1 0 401.960 2.583 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000747389570 1080475084 /nfs/dbraw/zinc/47/50/84/1080475084.db2.gz KCTVSRYNHSHFNG-GOSISDBHSA-N 1 0 415.563 2.575 20 0 HFADRO CSc1cccc(F)c1CNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000807291866 1080479313 /nfs/dbraw/zinc/47/93/13/1080479313.db2.gz PHZYBNYFDJFELG-UHFFFAOYSA-N 1 0 416.522 2.554 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000807295742 1080488300 /nfs/dbraw/zinc/48/83/00/1080488300.db2.gz UAIWECCUOARQHX-QFIPXVFZSA-N 1 0 409.530 2.676 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1ccco1 ZINC000807310996 1080503988 /nfs/dbraw/zinc/50/39/88/1080503988.db2.gz XDCKBTIMMSYCFF-DGCLKSJQSA-N 1 0 409.284 2.621 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccco1 ZINC000807310565 1080505165 /nfs/dbraw/zinc/50/51/65/1080505165.db2.gz NBWVTUMZDNZFFK-NEPJUHHUSA-N 1 0 409.284 2.621 20 0 HFADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000807354566 1080516779 /nfs/dbraw/zinc/51/67/79/1080516779.db2.gz LTXHSXNGKATZGL-LPHOPBHVSA-N 1 0 416.522 2.915 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(C)nc1Br ZINC000807358830 1080520543 /nfs/dbraw/zinc/52/05/43/1080520543.db2.gz JFFQWEAOOLMBAZ-UHFFFAOYSA-N 1 0 411.344 2.816 20 0 HFADRO CON(CC(C)(C)C)C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000807360111 1080520856 /nfs/dbraw/zinc/52/08/56/1080520856.db2.gz RKRCYGNLVVYKQR-UHFFFAOYSA-N 1 0 404.555 2.900 20 0 HFADRO Cc1ccc(N(C)[C@@H]2CCCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000807363497 1080525612 /nfs/dbraw/zinc/52/56/12/1080525612.db2.gz IYYMMYXWBHTGKY-ZXJUBJKJSA-N 1 0 412.578 2.554 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807334903 1080534759 /nfs/dbraw/zinc/53/47/59/1080534759.db2.gz WJOBFCNZGLEFDJ-UHFFFAOYSA-N 1 0 410.518 2.934 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1cccnc1C(=O)N(C)OC ZINC001170522311 1080539390 /nfs/dbraw/zinc/53/93/90/1080539390.db2.gz HYDXBGRCQGMVLL-UHFFFAOYSA-N 1 0 424.501 2.850 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807352769 1080559598 /nfs/dbraw/zinc/55/95/98/1080559598.db2.gz BQRWVQDDKUTBHU-GOEBONIOSA-N 1 0 406.477 2.589 20 0 HFADRO CCOC(=O)C1=C(Nc2cnc3c(c2)CN(C)C3=O)CC[N@H+](Cc2ccccc2)C1 ZINC001170522479 1080576944 /nfs/dbraw/zinc/57/69/44/1080576944.db2.gz LQSSICHTNUIAOR-UHFFFAOYSA-N 1 0 406.486 2.802 20 0 HFADRO CCOC(=O)c1ncc(N=C2CC[N@@H+](Cc3ccccc3)CC2C(=O)OCC)cn1 ZINC001170522451 1080577013 /nfs/dbraw/zinc/57/70/13/1080577013.db2.gz KLPPOXYFXZQBEE-UHFFFAOYSA-N 1 0 410.474 2.788 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000747394060 1080582881 /nfs/dbraw/zinc/58/28/81/1080582881.db2.gz MLCUFONZZFHXBO-UHFFFAOYSA-N 1 0 417.579 2.823 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000807431468 1080591698 /nfs/dbraw/zinc/59/16/98/1080591698.db2.gz DBMOODHJEAMLHK-RDGATRHJSA-N 1 0 423.557 2.645 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000807431466 1080591758 /nfs/dbraw/zinc/59/17/58/1080591758.db2.gz DBMOODHJEAMLHK-DHLKQENFSA-N 1 0 423.557 2.645 20 0 HFADRO C[C@H](NC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807402800 1080597883 /nfs/dbraw/zinc/59/78/83/1080597883.db2.gz MOUHACLQHWSXOV-WDSOQIARSA-N 1 0 420.554 2.613 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000807409763 1080605302 /nfs/dbraw/zinc/60/53/02/1080605302.db2.gz PEEQDAWCXMUIHV-UHFFFAOYSA-N 1 0 411.521 2.606 20 0 HFADRO Cc1cc(Br)ncc1NC(=O)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000807413513 1080612447 /nfs/dbraw/zinc/61/24/47/1080612447.db2.gz QMVKNNQZMCNWEY-UHFFFAOYSA-N 1 0 423.311 2.665 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807453290 1080632882 /nfs/dbraw/zinc/63/28/82/1080632882.db2.gz JDWAALYZIOKAFI-KBXCAEBGSA-N 1 0 406.477 2.589 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000807461350 1080638937 /nfs/dbraw/zinc/63/89/37/1080638937.db2.gz ZARUNCOCSLVRCN-RYUDHWBXSA-N 1 0 404.363 2.977 20 0 HFADRO Cc1c(C(=O)N2CCS[C@H]2C(F)(F)F)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001130953093 1080661086 /nfs/dbraw/zinc/66/10/86/1080661086.db2.gz QOPDTAQSMRRPTB-KRWDZBQOSA-N 1 0 411.453 2.641 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)c1ccco1 ZINC000807443536 1080664813 /nfs/dbraw/zinc/66/48/13/1080664813.db2.gz NIVOOHLCDDADPU-VDZJLULYSA-N 1 0 403.527 2.598 20 0 HFADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000807486760 1080670260 /nfs/dbraw/zinc/67/02/60/1080670260.db2.gz WEICWHZIXWZBJA-OAHLLOKOSA-N 1 0 423.286 2.649 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000807503238 1080701222 /nfs/dbraw/zinc/70/12/22/1080701222.db2.gz AMOUPZSTXVWHIF-RDPSFJRHSA-N 1 0 415.578 2.515 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)C(=O)Nc2cccnc2Cl)[NH+](C)C)cc1 ZINC000807510478 1080714074 /nfs/dbraw/zinc/71/40/74/1080714074.db2.gz XOFPPDDCFJIRDE-KRWDZBQOSA-N 1 0 404.898 2.880 20 0 HFADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000807543666 1080760558 /nfs/dbraw/zinc/76/05/58/1080760558.db2.gz KBESXDLCMQSSRL-QFBILLFUSA-N 1 0 421.476 2.729 20 0 HFADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543547 1080761014 /nfs/dbraw/zinc/76/10/14/1080761014.db2.gz IQESSYBYVMTGMS-JXFKEZNVSA-N 1 0 424.501 2.607 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCCC3(F)F)cc2F)CC1 ZINC000807521501 1080773404 /nfs/dbraw/zinc/77/34/04/1080773404.db2.gz GQVPXXBWVMGNSB-KRWDZBQOSA-N 1 0 412.456 2.599 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCCSC3)cc2F)CC1 ZINC000807522610 1080775849 /nfs/dbraw/zinc/77/58/49/1080775849.db2.gz ZWLFYYFARKAEIR-OAHLLOKOSA-N 1 0 422.570 2.554 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CCCN1C(=O)OC(C)(C)C ZINC000807552864 1080802577 /nfs/dbraw/zinc/80/25/77/1080802577.db2.gz CBZURPOPJBRJIW-KGVIQGDOSA-N 1 0 424.586 2.528 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000807558136 1080808986 /nfs/dbraw/zinc/80/89/86/1080808986.db2.gz UAUUBIDOTLTJEF-UHFFFAOYSA-N 1 0 414.937 2.703 20 0 HFADRO O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1cnc(N2CCOCC2)s1)C(F)(F)F ZINC000604766204 1126100066 /nfs/dbraw/zinc/10/00/66/1126100066.db2.gz OCEKHRQXMQCWJW-HOTGVXAUSA-N 1 0 401.454 2.604 20 0 HFADRO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC001200424558 1126156265 /nfs/dbraw/zinc/15/62/65/1126156265.db2.gz RVWASUUYRAVDFF-OAQYLSRUSA-N 1 0 409.530 2.572 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001308037631 1126162426 /nfs/dbraw/zinc/16/24/26/1126162426.db2.gz FJWWGKQELYCQNG-ROUUACIJSA-N 1 0 416.465 2.561 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001308547505 1126167896 /nfs/dbraw/zinc/16/78/96/1126167896.db2.gz LHIAKVDMELLJPW-NSISKUIASA-N 1 0 413.522 2.598 20 0 HFADRO COC(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1 ZINC001460421573 1126191087 /nfs/dbraw/zinc/19/10/87/1126191087.db2.gz FAYLLJYRSACSRO-IBGZPJMESA-N 1 0 405.292 2.640 20 0 HFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1Cl ZINC001560330375 1126210139 /nfs/dbraw/zinc/21/01/39/1126210139.db2.gz MDXHRLSSBXPPPN-HOCLYGCPSA-N 1 0 422.856 2.612 20 0 HFADRO COC(=O)c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cn1C ZINC001560532521 1126211866 /nfs/dbraw/zinc/21/18/66/1126211866.db2.gz MNOHNAFUJPTJOZ-LJQANCHMSA-N 1 0 407.308 2.584 20 0 HFADRO COC1(c2nc(CC(F)(F)F)no2)CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000583615883 560776246 /nfs/dbraw/zinc/77/62/46/560776246.db2.gz JAHZWOUDJKADEH-CQSZACIVSA-N 1 0 403.376 2.985 20 0 HFADRO COCCn1cc([C@H]2[C@H](C[NH2+]C3Cc4ccccc4C3)CC(=O)N2C(C)(C)C)cn1 ZINC000328605790 569418319 /nfs/dbraw/zinc/41/83/19/569418319.db2.gz PDLCLAPCAMWARN-WMZHIEFXSA-N 1 0 410.562 2.975 20 0 HFADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1)CC2 ZINC001164387314 718801923 /nfs/dbraw/zinc/80/19/23/718801923.db2.gz MFXRSVPNKQGXKC-UHFFFAOYSA-N 1 0 400.857 2.949 20 0 HFADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164392235 718826279 /nfs/dbraw/zinc/82/62/79/718826279.db2.gz ZNDXVEUBIQTPIO-NVXWUHKLSA-N 1 0 410.852 2.918 20 0 HFADRO Clc1nc2c(c(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164401102 718861695 /nfs/dbraw/zinc/86/16/95/718861695.db2.gz BZYFCOPSNWBEPB-XLIONFOSSA-N 1 0 413.953 2.503 20 0 HFADRO FC(F)(Oc1ccc(Cl)nc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416527 718885695 /nfs/dbraw/zinc/88/56/95/718885695.db2.gz YMZOALOFXALJFZ-UHFFFAOYSA-N 1 0 405.236 2.504 20 0 HFADRO [NH3+][C@]12C[C@H]1CN([C@@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164420742 718887571 /nfs/dbraw/zinc/88/75/71/718887571.db2.gz VSMKWAFMCSBOED-AGRHKRQWSA-N 1 0 408.308 2.955 20 0 HFADRO Fc1cccc2c(Cl)nc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)nc12 ZINC001164422224 718913522 /nfs/dbraw/zinc/91/35/22/718913522.db2.gz XOIQRSMYBQZZIO-KRWDZBQOSA-N 1 0 416.831 2.553 20 0 HFADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424107 718918555 /nfs/dbraw/zinc/91/85/55/718918555.db2.gz LHVUYKJTKCIIMY-LJQANCHMSA-N 1 0 424.879 2.927 20 0 HFADRO Cc1cccc(CN2C(=O)COC3(CCN(c4cc(C[NH+](C)C)ccn4)CC3)[C@H]2C)n1 ZINC001164427126 718951608 /nfs/dbraw/zinc/95/16/08/718951608.db2.gz AYSFHWGDGLFGQS-LJQANCHMSA-N 1 0 423.561 2.633 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164432633 718967784 /nfs/dbraw/zinc/96/77/84/718967784.db2.gz HZXLEUQFMWWYOL-ZIAGYGMSSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(Cl)c4cccnc43)CC2)CC1 ZINC001164618503 719026821 /nfs/dbraw/zinc/02/68/21/719026821.db2.gz XTNZXEIYNWKJDL-UHFFFAOYSA-N 1 0 403.914 2.922 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4ncn(C(C)C)c4n3)CC2)CC1 ZINC001164617122 719032121 /nfs/dbraw/zinc/03/21/21/719032121.db2.gz HBRJULMGEZMXJP-UHFFFAOYSA-N 1 0 400.527 2.651 20 0 HFADRO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164626653 719082691 /nfs/dbraw/zinc/08/26/91/719082691.db2.gz OXLCHXJACAOBJS-UONOGXRCSA-N 1 0 406.317 2.983 20 0 HFADRO CC(C)NS(=O)(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164627921 719097518 /nfs/dbraw/zinc/09/75/18/719097518.db2.gz LEHKDDITCCAOKN-TZIWHRDSSA-N 1 0 414.575 2.869 20 0 HFADRO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164630930 719099286 /nfs/dbraw/zinc/09/92/86/719099286.db2.gz XRMXOGHILRJINI-NQIIRXRSSA-N 1 0 412.559 2.623 20 0 HFADRO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164630929 719099320 /nfs/dbraw/zinc/09/93/20/719099320.db2.gz XRMXOGHILRJINI-GHTZIAJQSA-N 1 0 412.559 2.623 20 0 HFADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1C ZINC001164618952 719122529 /nfs/dbraw/zinc/12/25/29/719122529.db2.gz APIVTCWHNBIWIJ-HZPDHXFCSA-N 1 0 419.570 2.654 20 0 HFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164634853 719228232 /nfs/dbraw/zinc/22/82/32/719228232.db2.gz HTXKZJIPKJRZJC-KBPBESRZSA-N 1 0 419.938 2.851 20 0 HFADRO C[C@@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)[C@@H](C)C[N@@H+]1C ZINC001164634512 719237725 /nfs/dbraw/zinc/23/77/25/719237725.db2.gz MTIRJYKSJAWCHJ-CABCVRRESA-N 1 0 401.580 2.541 20 0 HFADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)nn2)CC1 ZINC001164646170 719287610 /nfs/dbraw/zinc/28/76/10/719287610.db2.gz NJJMDURBNIUWIF-CGTJXYLNSA-N 1 0 412.563 2.529 20 0 HFADRO CC(C)n1nc(CN(C)C)c2c1CN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164646102 719309378 /nfs/dbraw/zinc/30/93/78/719309378.db2.gz BCSCWDSOIJJCTO-UHFFFAOYSA-N 1 0 417.989 2.999 20 0 HFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164673763 719443135 /nfs/dbraw/zinc/44/31/35/719443135.db2.gz UEJILIYTPFRYTG-DLBZAZTESA-N 1 0 413.591 2.685 20 0 HFADRO Cn1ncc2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@@H]2COc1cccnc1 ZINC001164683711 719598446 /nfs/dbraw/zinc/59/84/46/719598446.db2.gz ICVIRWPGGOLGCV-LJQANCHMSA-N 1 0 404.518 2.989 20 0 HFADRO COCc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccccc2)n1 ZINC001164683112 719604850 /nfs/dbraw/zinc/60/48/50/719604850.db2.gz HKVNEFKTUGYMBQ-UHFFFAOYSA-N 1 0 406.534 2.962 20 0 HFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncccc3N)CC2)c2ccccc21 ZINC001164680330 719662701 /nfs/dbraw/zinc/66/27/01/719662701.db2.gz FQPDYGAJEAHLSS-GOSISDBHSA-N 1 0 407.562 2.757 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(c4ncccn4)[C@H]3C2)nc1 ZINC001164692418 719801326 /nfs/dbraw/zinc/80/13/26/719801326.db2.gz OHKDXAITPLZRTE-HKBOAZHASA-N 1 0 408.550 2.903 20 0 HFADRO COC(=O)c1ncnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1OC ZINC001164704522 719817079 /nfs/dbraw/zinc/81/70/79/719817079.db2.gz ZCFAWOFFXSMUAW-UHFFFAOYSA-N 1 0 417.535 2.672 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@H]2C1 ZINC001164704294 719885644 /nfs/dbraw/zinc/88/56/44/719885644.db2.gz UZYLFYSMYNMVSX-KBMXLJTQSA-N 1 0 401.898 2.593 20 0 HFADRO NC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695328 719887569 /nfs/dbraw/zinc/88/75/69/719887569.db2.gz OCDABCYKYXVJCT-UHFFFAOYSA-N 1 0 406.939 2.767 20 0 HFADRO CCOC(=O)c1ncnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C ZINC001164697631 719893574 /nfs/dbraw/zinc/89/35/74/719893574.db2.gz MDAJANKLPYYDBF-UHFFFAOYSA-N 1 0 416.547 2.895 20 0 HFADRO O=C(NC1CC1)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164696719 719893872 /nfs/dbraw/zinc/89/38/72/719893872.db2.gz HRJTZUCBWOGFHT-UHFFFAOYSA-N 1 0 412.559 2.907 20 0 HFADRO CON(C)C(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698967 719895973 /nfs/dbraw/zinc/89/59/73/719895973.db2.gz UWXRHOQLJSLYRN-UHFFFAOYSA-N 1 0 416.547 2.648 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)c(OC)cc31)C2 ZINC001164814788 720085825 /nfs/dbraw/zinc/08/58/25/720085825.db2.gz WPZYZQBNTLWIFO-HXOBKFHXSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)c(OC)cc31)C2 ZINC001164814797 720086441 /nfs/dbraw/zinc/08/64/41/720086441.db2.gz WPZYZQBNTLWIFO-UZUQRXQVSA-N 1 0 412.534 2.832 20 0 HFADRO CCOC(=O)c1cc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2[nH]1 ZINC001164809060 720103266 /nfs/dbraw/zinc/10/32/66/720103266.db2.gz GNPGGEZWSISTAF-WZONZLPQSA-N 1 0 412.534 2.924 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164810046 720118127 /nfs/dbraw/zinc/11/81/27/720118127.db2.gz JIHCVVRZMUAMKH-CVDCTZTESA-N 1 0 400.567 2.795 20 0 HFADRO COCOc1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164716165 720120856 /nfs/dbraw/zinc/12/08/56/720120856.db2.gz JIBMZZXWUJEWHU-HXUWFJFHSA-N 1 0 412.534 2.967 20 0 HFADRO Cc1ccc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)ccc2c1 ZINC001164716168 720166500 /nfs/dbraw/zinc/16/65/00/720166500.db2.gz YLDNYZFWHIJOFQ-NRFANRHFSA-N 1 0 406.534 2.888 20 0 HFADRO Cn1nnc2c1CCN(c1nc(Cl)cc3[nH]ccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164712914 720172988 /nfs/dbraw/zinc/17/29/88/720172988.db2.gz IGCXLOOIZBZIQK-KRWDZBQOSA-N 1 0 415.929 2.561 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164816252 720173995 /nfs/dbraw/zinc/17/39/95/720173995.db2.gz KLQXVICYJXCRMN-YJBOKZPZSA-N 1 0 416.900 2.782 20 0 HFADRO Cc1cc2ccccc2nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719232 720174341 /nfs/dbraw/zinc/17/43/41/720174341.db2.gz VFJDDLWIGSORTM-NRFANRHFSA-N 1 0 406.534 2.888 20 0 HFADRO CSc1cc(Cl)ncc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164720170 720177497 /nfs/dbraw/zinc/17/74/97/720177497.db2.gz ZWKOMRLFKPBPHN-INIZCTEOSA-N 1 0 422.986 2.802 20 0 HFADRO CC(C)c1c(Cl)ncnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718480 720203609 /nfs/dbraw/zinc/20/36/09/720203609.db2.gz ZSIGHWQZCOYHMR-MRXNPFEDSA-N 1 0 419.961 2.598 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](F)Oc1cccc(Cl)n1)CCC2 ZINC001164813433 720224436 /nfs/dbraw/zinc/22/44/36/720224436.db2.gz MBVUMTCNTZVFOM-IBGZPJMESA-N 1 0 409.893 2.670 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3[nH]cc(F)c32)CC1 ZINC001164817583 720288385 /nfs/dbraw/zinc/28/83/85/720288385.db2.gz DQOLFGHJROLELK-CABCVRRESA-N 1 0 420.920 2.662 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3ncccc32)CC1 ZINC001164819580 720301020 /nfs/dbraw/zinc/30/10/20/720301020.db2.gz DLGKPCLYWZFIHK-DLBZAZTESA-N 1 0 414.941 2.590 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164821621 720308723 /nfs/dbraw/zinc/30/87/23/720308723.db2.gz LLUAMECRRAKQHR-CVEARBPZSA-N 1 0 416.957 2.831 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3[C@H](F)Oc2cccc(Cl)n2)CC1 ZINC001164828442 720318748 /nfs/dbraw/zinc/31/87/48/720318748.db2.gz JMPSCVDYFORLES-GUXCAODWSA-N 1 0 410.921 2.774 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3ncsc32)CC1 ZINC001164829072 720319970 /nfs/dbraw/zinc/31/99/70/720319970.db2.gz LQJVVEUWSUYXNK-UONOGXRCSA-N 1 0 420.970 2.651 20 0 HFADRO COc1cccc2cnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164823277 720321128 /nfs/dbraw/zinc/32/11/28/720321128.db2.gz AFRNCMXEVCKHSJ-RTBURBONSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC001164831391 720332303 /nfs/dbraw/zinc/33/23/03/720332303.db2.gz RWPYWQGXYLLRRH-CVEARBPZSA-N 1 0 402.930 2.523 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(C)nc2c1 ZINC001164827486 720344207 /nfs/dbraw/zinc/34/42/07/720344207.db2.gz MGIXKODSNSMZFQ-FCHUYYIVSA-N 1 0 423.561 2.858 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(Cn4ccnc4)c3C2)nc1 ZINC001164830555 720399641 /nfs/dbraw/zinc/39/96/41/720399641.db2.gz SCQHUWQMVCTFRN-HXUWFJFHSA-N 1 0 406.538 2.875 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735128 720415089 /nfs/dbraw/zinc/41/50/89/720415089.db2.gz WGISKLJWYAHQCB-WOJBJXKFSA-N 1 0 409.534 2.807 20 0 HFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725818 720418696 /nfs/dbraw/zinc/41/86/96/720418696.db2.gz BAKIIIFFDWWEPG-UNQUKWGNSA-N 1 0 403.486 2.997 20 0 HFADRO CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164728321 720487394 /nfs/dbraw/zinc/48/73/94/720487394.db2.gz PEMZCQSWGRRSAO-DLBZAZTESA-N 1 0 400.914 2.518 20 0 HFADRO O=C(C[C@@H]1OC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@H]21)N1CCCCC1 ZINC001164835746 720501902 /nfs/dbraw/zinc/50/19/02/720501902.db2.gz KVFWRUIIPHDLRJ-VSKRKVRLSA-N 1 0 412.578 2.921 20 0 HFADRO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164731131 720502487 /nfs/dbraw/zinc/50/24/87/720502487.db2.gz VYYSXWBCVJFHAN-NFBKMPQASA-N 1 0 407.518 2.697 20 0 HFADRO O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164731133 720502552 /nfs/dbraw/zinc/50/25/52/720502552.db2.gz VYYSXWBCVJFHAN-OFNKIYASSA-N 1 0 407.518 2.697 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836553 720505020 /nfs/dbraw/zinc/50/50/20/720505020.db2.gz NESCFYGSAYGFBB-PWRODBHTSA-N 1 0 409.582 2.960 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4nc[nH]c43)CC[C@@H]21 ZINC001164835298 720509399 /nfs/dbraw/zinc/50/93/99/720509399.db2.gz JTSKAXXQZPGAJL-KKUMJFAQSA-N 1 0 400.918 2.581 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3COC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835238 720524947 /nfs/dbraw/zinc/52/49/47/720524947.db2.gz JFCNAZYOJYJQJL-RLFYNMQTSA-N 1 0 402.930 2.735 20 0 HFADRO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839981 720524983 /nfs/dbraw/zinc/52/49/83/720524983.db2.gz VCHYUDMTEUQJRB-WSTZPKSXSA-N 1 0 412.538 2.536 20 0 HFADRO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164834708 720546834 /nfs/dbraw/zinc/54/68/34/720546834.db2.gz FXHCJKAZCIVHBH-NJDAHSKKSA-N 1 0 411.550 2.762 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)CC[C@@H]21 ZINC001164834193 720550917 /nfs/dbraw/zinc/55/09/17/720550917.db2.gz CONKQMWFIJJUJO-VCBZYWHSSA-N 1 0 414.941 2.804 20 0 HFADRO Cc1cn(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cn1 ZINC001164837416 720572788 /nfs/dbraw/zinc/57/27/88/720572788.db2.gz MMGWBQPUGSGXSV-SLFFLAALSA-N 1 0 406.538 2.545 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4ncnc(Cl)c4n3)CC[C@@H]21 ZINC001164840174 720572905 /nfs/dbraw/zinc/57/29/05/720572905.db2.gz SAOMQOBXHHGGLS-VYDXJSESSA-N 1 0 412.929 2.648 20 0 HFADRO CSc1nc2sccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740846 720630054 /nfs/dbraw/zinc/63/00/54/720630054.db2.gz JLBZXRNZNMAZCP-QWHCGFSZSA-N 1 0 400.533 2.545 20 0 HFADRO Clc1cc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)ccn1 ZINC001164743105 720653998 /nfs/dbraw/zinc/65/39/98/720653998.db2.gz OYNFMRNPNBNQPS-ROUUACIJSA-N 1 0 408.893 2.929 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccnc(N3CCOCC3)n1)CC2 ZINC001164844493 720699493 /nfs/dbraw/zinc/69/94/93/720699493.db2.gz SLZJWLVKRXCCDP-NRFANRHFSA-N 1 0 423.561 2.573 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164841186 720702024 /nfs/dbraw/zinc/70/20/24/720702024.db2.gz ICAMYEROKZIMKZ-FQEVSTJZSA-N 1 0 404.518 2.922 20 0 HFADRO Clc1cccc(-c2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)c1 ZINC001164738944 720770757 /nfs/dbraw/zinc/77/07/57/720770757.db2.gz HAKRQQGVNUXFFK-MSOLQXFVSA-N 1 0 408.893 2.929 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747531 720800317 /nfs/dbraw/zinc/80/03/17/720800317.db2.gz OOTNTYYLUVPAJJ-DLBZAZTESA-N 1 0 423.908 2.632 20 0 HFADRO FC(F)(N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164740889 720804864 /nfs/dbraw/zinc/80/48/64/720804864.db2.gz AQNPXEBPPQJNHW-JKSUJKDBSA-N 1 0 421.879 2.987 20 0 HFADRO Clc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744879 720814879 /nfs/dbraw/zinc/81/48/79/720814879.db2.gz JEDONFGVZSBGFM-RCCFBDPRSA-N 1 0 413.957 2.978 20 0 HFADRO Fc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752083 720814943 /nfs/dbraw/zinc/81/49/43/720814943.db2.gz YOBWCKPYXBVGNM-YRISNDGFSA-N 1 0 407.497 2.740 20 0 HFADRO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739203 720819182 /nfs/dbraw/zinc/81/91/82/720819182.db2.gz HRYJOIGHKGTBQF-QKNQBKEWSA-N 1 0 403.534 2.909 20 0 HFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743287 720820093 /nfs/dbraw/zinc/82/00/93/720820093.db2.gz RXDBXICLPVFXLK-HNAWSFBYSA-N 1 0 420.920 2.833 20 0 HFADRO COc1cc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738799 720821991 /nfs/dbraw/zinc/82/19/91/720821991.db2.gz GTXVKHIPTPGRDQ-GVDBMIGSSA-N 1 0 402.930 2.715 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ncccc12 ZINC001164740137 720829525 /nfs/dbraw/zinc/82/95/25/720829525.db2.gz JCLFYHCVSHXCEP-XYJFISCASA-N 1 0 424.940 2.649 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C ZINC001164739532 720831952 /nfs/dbraw/zinc/83/19/52/720831952.db2.gz AZFAVATVKOILMC-SFHLNBCPSA-N 1 0 424.549 2.538 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164747798 720834288 /nfs/dbraw/zinc/83/42/88/720834288.db2.gz RRDOJNSFXAHDBA-WAOWUJCRSA-N 1 0 419.533 2.609 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2occc21 ZINC001164742955 720838166 /nfs/dbraw/zinc/83/81/66/720838166.db2.gz HOURRFZODSEZNF-HLLBOEOZSA-N 1 0 413.913 2.847 20 0 HFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748377 720840217 /nfs/dbraw/zinc/84/02/17/720840217.db2.gz UNOTVBRXVDZXGZ-XUVXKRRUSA-N 1 0 424.549 2.538 20 0 HFADRO Cc1csc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164741691 720842952 /nfs/dbraw/zinc/84/29/52/720842952.db2.gz FNLHQICGCZNXAL-OKZBNKHCSA-N 1 0 409.563 2.971 20 0 HFADRO COc1nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc21 ZINC001164748017 720846317 /nfs/dbraw/zinc/84/63/17/720846317.db2.gz SETUTENOHPLPPY-LVCYWYKZSA-N 1 0 419.533 2.609 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@H]2C1 ZINC001164850954 720849674 /nfs/dbraw/zinc/84/96/74/720849674.db2.gz FWIJHAKSUFHGHY-SJCJKPOMSA-N 1 0 412.868 2.735 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc2ccccc21 ZINC001164854963 720853291 /nfs/dbraw/zinc/85/32/91/720853291.db2.gz LWBVMJSCCSZHCN-UWJYYQICSA-N 1 0 413.518 2.585 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@@H]2C1 ZINC001164858318 720864961 /nfs/dbraw/zinc/86/49/61/720864961.db2.gz RWOHIABNFUDQIK-OXQOHEQNSA-N 1 0 402.926 2.971 20 0 HFADRO COc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755744 720871968 /nfs/dbraw/zinc/87/19/68/720871968.db2.gz YOYZWJXIUDCECM-REWPJTCUSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@@H]2C1 ZINC001164863833 720879043 /nfs/dbraw/zinc/87/90/43/720879043.db2.gz UUPAQJHLLIMHGY-XLIONFOSSA-N 1 0 402.926 2.971 20 0 HFADRO CCOc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)nn2)cc1 ZINC001164862101 720881974 /nfs/dbraw/zinc/88/19/74/720881974.db2.gz QPDNZBMFMYJDSY-KNQAVFIVSA-N 1 0 412.534 2.716 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)cc(OCc4ccccc4)n3)CC[C@H]2C1 ZINC001164858581 720885290 /nfs/dbraw/zinc/88/52/90/720885290.db2.gz LFJCKYKCQWBVMH-SFTDATJTSA-N 1 0 412.534 2.538 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC[C@H]2C1 ZINC001164865244 720886025 /nfs/dbraw/zinc/88/60/25/720886025.db2.gz ZCQSGXVTWNXMCQ-ROUUACIJSA-N 1 0 417.941 2.674 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@H]2C1 ZINC001164856915 720893269 /nfs/dbraw/zinc/89/32/69/720893269.db2.gz HYCCGMIYTUZOHP-KSSFIOAISA-N 1 0 415.912 2.942 20 0 HFADRO COCc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164746511 720933008 /nfs/dbraw/zinc/93/30/08/720933008.db2.gz BFAGEHGYUOAXQM-ZJSXRUAMSA-N 1 0 423.561 2.773 20 0 HFADRO CCOC(=O)c1cc(Cl)nnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856201 720941881 /nfs/dbraw/zinc/94/18/81/720941881.db2.gz CQHCFUMUYFRUIQ-ZDUSSCGKSA-N 1 0 406.918 2.925 20 0 HFADRO CCOC(=O)c1nnc(Cl)cc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859976 720954518 /nfs/dbraw/zinc/95/45/18/720954518.db2.gz OSYDYKIBQDYJJD-CYBMUJFWSA-N 1 0 406.918 2.925 20 0 HFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164861273 720964416 /nfs/dbraw/zinc/96/44/16/720964416.db2.gz SGBKUSRJMIQGHZ-CQSZACIVSA-N 1 0 420.945 2.854 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@@H](CNC(=O)N(C)C)[C@H]3C2)nc1 ZINC001164758293 721000169 /nfs/dbraw/zinc/00/01/69/721000169.db2.gz UWIPCZPGIMVKPH-MHTWAQMVSA-N 1 0 415.582 2.741 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870444 721041966 /nfs/dbraw/zinc/04/19/66/721041966.db2.gz VWHWPGPHYOVDGM-ZWKOTPCHSA-N 1 0 416.909 2.786 20 0 HFADRO Fc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866094 721045218 /nfs/dbraw/zinc/04/52/18/721045218.db2.gz CSFLFLVQTSOXFC-KGLIPLIRSA-N 1 0 402.861 2.625 20 0 HFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870890 721049024 /nfs/dbraw/zinc/04/90/24/721049024.db2.gz XEBDEMGDDNXALH-CVEARBPZSA-N 1 0 409.868 2.858 20 0 HFADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCCCC1 ZINC001164869512 721050470 /nfs/dbraw/zinc/05/04/70/721050470.db2.gz TZZALWXPSYPRFP-SFTDATJTSA-N 1 0 421.545 2.582 20 0 HFADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869988 721070234 /nfs/dbraw/zinc/07/02/34/721070234.db2.gz VBMQSTVLWWXUJI-JKSUJKDBSA-N 1 0 415.925 2.770 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(NC(=O)OC(C)(C)C)ncn4)C[C@H]3C2)cn1 ZINC001164762105 721091926 /nfs/dbraw/zinc/09/19/26/721091926.db2.gz CNDSYSFWCSRHSH-IAGOWNOFSA-N 1 0 413.526 2.515 20 0 HFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164771393 721107366 /nfs/dbraw/zinc/10/73/66/721107366.db2.gz SNEAYXHVNJRNER-SJORKVTESA-N 1 0 417.941 2.912 20 0 HFADRO COc1cc2c(cc1F)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865466 721112126 /nfs/dbraw/zinc/11/21/26/721112126.db2.gz LNNABGDIHMSZLI-DLBZAZTESA-N 1 0 409.465 2.652 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863459 721112686 /nfs/dbraw/zinc/11/26/86/721112686.db2.gz CIKRKHNFOAHZLN-PMACEKPBSA-N 1 0 418.497 2.896 20 0 HFADRO CCCN(CCC)c1cncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865152 721116688 /nfs/dbraw/zinc/11/66/88/721116688.db2.gz IUAANEQOIUDHFB-RTWAWAEBSA-N 1 0 410.566 2.978 20 0 HFADRO CCCN(CCC)c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164862803 721116958 /nfs/dbraw/zinc/11/69/58/721116958.db2.gz AOODYIRWYNSRKB-LEWJYISDSA-N 1 0 410.566 2.978 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1OC ZINC001164873659 721134455 /nfs/dbraw/zinc/13/44/55/721134455.db2.gz JWHKUJQEBRRSNQ-CVEARBPZSA-N 1 0 401.898 2.656 20 0 HFADRO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164768983 721138355 /nfs/dbraw/zinc/13/83/55/721138355.db2.gz OOTFLMHHBBHPPL-JKSUJKDBSA-N 1 0 412.925 2.984 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762075 721149349 /nfs/dbraw/zinc/14/93/49/721149349.db2.gz BUIVBDYFNYJIQY-IAGOWNOFSA-N 1 0 417.941 2.912 20 0 HFADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164880282 721150596 /nfs/dbraw/zinc/15/05/96/721150596.db2.gz VSDTVZOGXWQUOF-CVEARBPZSA-N 1 0 409.868 2.858 20 0 HFADRO COc1cccc(-c2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164770858 721202621 /nfs/dbraw/zinc/20/26/21/721202621.db2.gz OXKNBECRBASROB-WOJBJXKFSA-N 1 0 404.518 2.844 20 0 HFADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164768437 721219519 /nfs/dbraw/zinc/21/95/19/721219519.db2.gz KZSKSDTVVNTGNB-RTWAWAEBSA-N 1 0 403.534 2.847 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164766217 721231491 /nfs/dbraw/zinc/23/14/91/721231491.db2.gz SZDKMCBRVXITPL-MOPGFXCFSA-N 1 0 405.506 2.701 20 0 HFADRO COC(=O)c1cc(Cl)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C ZINC001164760512 721236353 /nfs/dbraw/zinc/23/63/53/721236353.db2.gz FIRCPDFGEVWTQT-JKSUJKDBSA-N 1 0 403.914 2.522 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)C[C@H]3C2)cn1 ZINC001164759521 721238023 /nfs/dbraw/zinc/23/80/23/721238023.db2.gz ARTCWASUJRNOKV-QZTJIDSGSA-N 1 0 409.925 2.884 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@@H]3C2)cn1 ZINC001164769740 721246199 /nfs/dbraw/zinc/24/61/99/721246199.db2.gz ZMABCSGZNPCXIK-GJZGRUSLSA-N 1 0 412.588 2.622 20 0 HFADRO C[N@H+](Cc1ccc(N2C[C@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164890175 721351916 /nfs/dbraw/zinc/35/19/16/721351916.db2.gz ZZAOOJBWKMZRAG-IFMALSPDSA-N 1 0 406.530 2.653 20 0 HFADRO COCc1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164784208 721367986 /nfs/dbraw/zinc/36/79/86/721367986.db2.gz QXIIKHZVZUUUCL-QFIPXVFZSA-N 1 0 400.523 2.952 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ccoc54)C3)O2)CC1 ZINC001164894486 721389592 /nfs/dbraw/zinc/38/95/92/721389592.db2.gz YJMUFRRMWJRDDK-FOIQADDNSA-N 1 0 405.930 2.642 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893644 721430279 /nfs/dbraw/zinc/43/02/79/721430279.db2.gz JSERHHUKSGDGIE-HNAYVOBHSA-N 1 0 412.003 2.617 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(C5CC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164886017 721447949 /nfs/dbraw/zinc/44/79/49/721447949.db2.gz GCSQNLUIGPFBLQ-FDDCHVKYSA-N 1 0 410.566 2.601 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cccnc31)CC2 ZINC001164789237 721452756 /nfs/dbraw/zinc/45/27/56/721452756.db2.gz UDZIVTBRGGIVKF-IBGZPJMESA-N 1 0 411.550 2.759 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3onc(C)c31)CC2 ZINC001164790613 721470159 /nfs/dbraw/zinc/47/01/59/721470159.db2.gz SGHANDQHZIZTGZ-GOSISDBHSA-N 1 0 415.538 2.660 20 0 HFADRO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164896628 721502750 /nfs/dbraw/zinc/50/27/50/721502750.db2.gz ITCNATOEUNUEMF-HXUWFJFHSA-N 1 0 400.567 2.825 20 0 HFADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCC1 ZINC001164900324 721509577 /nfs/dbraw/zinc/50/95/77/721509577.db2.gz QDORNYYDWAHWKU-UYAOXDASSA-N 1 0 410.493 2.799 20 0 HFADRO COC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899668 721518031 /nfs/dbraw/zinc/51/80/31/721518031.db2.gz LOZYZHJQHJHCRF-HKUYNNGSSA-N 1 0 422.460 2.897 20 0 HFADRO COC(=O)c1cc2ccncc2nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908152 721538194 /nfs/dbraw/zinc/53/81/94/721538194.db2.gz PDABEDQOTVMRKF-IEBWSBKVSA-N 1 0 422.460 2.897 20 0 HFADRO CNC(=O)c1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164903426 721542250 /nfs/dbraw/zinc/54/22/50/721542250.db2.gz CLTCZQUAEIVYRA-GOEBONIOSA-N 1 0 404.873 2.576 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164807906 721554997 /nfs/dbraw/zinc/55/49/97/721554997.db2.gz UAXKBUWLRFDRMY-KCZVDYSFSA-N 1 0 423.561 2.873 20 0 HFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164903102 721561243 /nfs/dbraw/zinc/56/12/43/721561243.db2.gz AKRFZPWFIFPNBI-MJGOQNOKSA-N 1 0 415.538 2.511 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164802392 721568074 /nfs/dbraw/zinc/56/80/74/721568074.db2.gz IHECTZKYKXHTGK-QZNHQXDQSA-N 1 0 421.545 2.581 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)ncn2)[C@@H]2CCCO[C@H]12 ZINC001164803943 721576123 /nfs/dbraw/zinc/57/61/23/721576123.db2.gz JWNYKBQEFPXFHD-VIZSFHNOSA-N 1 0 408.550 2.730 20 0 HFADRO NC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907511 721586474 /nfs/dbraw/zinc/58/64/74/721586474.db2.gz UZNAPEPMJUXVDH-IBGZPJMESA-N 1 0 421.879 2.967 20 0 HFADRO COc1cc(OC)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903627 721693149 /nfs/dbraw/zinc/69/31/49/721693149.db2.gz AWBNOGUJCUYHRG-LJQANCHMSA-N 1 0 405.449 2.627 20 0 HFADRO FC1(F)CCN(c2ncc3c(n2)CCCN3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906905 721704052 /nfs/dbraw/zinc/70/40/52/721704052.db2.gz PACPSYFWTKUMCB-FQEVSTJZSA-N 1 0 400.477 2.967 20 0 HFADRO CCNC(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906260 721714704 /nfs/dbraw/zinc/71/47/04/721714704.db2.gz LVWNWWAUEWYWEU-OAQYLSRUSA-N 1 0 415.488 2.964 20 0 HFADRO CNC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907051 721714965 /nfs/dbraw/zinc/71/49/65/721714965.db2.gz PWZUPMPGGWWNKB-FQEVSTJZSA-N 1 0 401.461 2.574 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3ccc(F)cc32)CC1 ZINC001165008213 721731735 /nfs/dbraw/zinc/73/17/35/721731735.db2.gz KYUONURIZGTOCY-UHFFFAOYSA-N 1 0 405.905 2.945 20 0 HFADRO COC(=O)c1ccc2ccnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1 ZINC001165010099 721735860 /nfs/dbraw/zinc/73/58/60/721735860.db2.gz AEGYIVUDRZJXBP-UHFFFAOYSA-N 1 0 410.518 2.544 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C(=O)Nc3ccccc3)ccn2)CC1 ZINC001165010609 721738522 /nfs/dbraw/zinc/73/85/22/721738522.db2.gz GTGNMMDPUNTKBJ-UHFFFAOYSA-N 1 0 421.545 2.857 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(F)cc3ncnc(Cl)c32)CC1 ZINC001165009422 721743519 /nfs/dbraw/zinc/74/35/19/721743519.db2.gz CLUJVEFVENGJKR-UHFFFAOYSA-N 1 0 405.905 2.945 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3ccccc3nc2N2CCCC2)CC1 ZINC001165009269 721744512 /nfs/dbraw/zinc/74/45/12/721744512.db2.gz AUQMUVRDINHAEI-UHFFFAOYSA-N 1 0 422.577 2.753 20 0 HFADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164910045 721748705 /nfs/dbraw/zinc/74/87/05/721748705.db2.gz ZKMGKTYCXKEMCN-UHFFFAOYSA-N 1 0 424.936 2.958 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3[nH]c4cc(F)ccc4c32)CC1 ZINC001165012526 721750528 /nfs/dbraw/zinc/75/05/28/721750528.db2.gz KDBWEJZIEMMLIY-UHFFFAOYSA-N 1 0 410.497 2.773 20 0 HFADRO CN(C)c1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2nc[nH]c21 ZINC001165026805 721816101 /nfs/dbraw/zinc/81/61/01/721816101.db2.gz RGGPCTAJBWQXQK-JQHSSLGASA-N 1 0 406.538 2.551 20 0 HFADRO CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025048 721831434 /nfs/dbraw/zinc/83/14/34/721831434.db2.gz LAFHSVFAIXSSCM-ZVZYQTTQSA-N 1 0 414.941 2.622 20 0 HFADRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164920695 721836923 /nfs/dbraw/zinc/83/69/23/721836923.db2.gz APEFEWFASFTRRY-NZQKXSOJSA-N 1 0 408.550 2.730 20 0 HFADRO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2cc1OC ZINC001164925758 721858620 /nfs/dbraw/zinc/85/86/20/721858620.db2.gz FXLVXZFDSDZYMU-HZPDHXFCSA-N 1 0 405.930 2.515 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926009 721876549 /nfs/dbraw/zinc/87/65/49/721876549.db2.gz PUQFOLFHQUHXJN-HZPDHXFCSA-N 1 0 415.542 2.520 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164931497 721882387 /nfs/dbraw/zinc/88/23/87/721882387.db2.gz FYQGWNAWPPAECK-HOTGVXAUSA-N 1 0 422.911 2.952 20 0 HFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC001165036824 721916563 /nfs/dbraw/zinc/91/65/63/721916563.db2.gz DFQRHFIRMKCKTR-HNNXBMFYSA-N 1 0 404.898 2.761 20 0 HFADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164946831 721978385 /nfs/dbraw/zinc/97/83/85/721978385.db2.gz LKIVRGNABZTSJK-UHFFFAOYSA-N 1 0 419.573 2.648 20 0 HFADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055840 722014077 /nfs/dbraw/zinc/01/40/77/722014077.db2.gz MEOMGXNRLLCCKJ-UHFFFAOYSA-N 1 0 417.492 2.773 20 0 HFADRO COC(=O)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1F ZINC001164962185 722054308 /nfs/dbraw/zinc/05/43/08/722054308.db2.gz AVROTJIUBLUCIY-UHFFFAOYSA-N 1 0 414.481 2.521 20 0 HFADRO CCOC(=O)Cc1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164966306 722062302 /nfs/dbraw/zinc/06/23/02/722062302.db2.gz QNXVAGBZGXIIAL-UHFFFAOYSA-N 1 0 424.545 2.701 20 0 HFADRO Fc1ccc(Oc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)cc1 ZINC001164966666 722073531 /nfs/dbraw/zinc/07/35/31/722073531.db2.gz FWFRSKORSGYQQH-IYBDPMFKSA-N 1 0 405.861 2.756 20 0 HFADRO CS(=O)(=O)N1C[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@H]2c2ccccc21 ZINC001164972354 722090896 /nfs/dbraw/zinc/09/08/96/722090896.db2.gz GHTMCDMOJWQEKL-AZUAARDMSA-N 1 0 412.559 2.677 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@@H]3C2)nc1 ZINC001164982932 722095988 /nfs/dbraw/zinc/09/59/88/722095988.db2.gz SHCGLOWWMNYQMP-CEWLAPEOSA-N 1 0 408.550 2.851 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)nc1 ZINC001164982934 722096076 /nfs/dbraw/zinc/09/60/76/722096076.db2.gz SHCGLOWWMNYQMP-HLAWJBBLSA-N 1 0 408.550 2.851 20 0 HFADRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1N1CCCC1 ZINC001164978207 722099006 /nfs/dbraw/zinc/09/90/06/722099006.db2.gz GESKSEBFPUUXLC-NHCUHLMSSA-N 1 0 408.550 2.508 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977254 722099125 /nfs/dbraw/zinc/09/91/25/722099125.db2.gz FKGVRFONTDBLIA-FPOVZHCZSA-N 1 0 410.518 2.689 20 0 HFADRO CCOC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164986194 722099793 /nfs/dbraw/zinc/09/97/93/722099793.db2.gz YIPGDWLPYBODGF-PZJWPPBQSA-N 1 0 410.518 2.689 20 0 HFADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980077 722105642 /nfs/dbraw/zinc/10/56/42/722105642.db2.gz JFAYCLFYZAIYGA-CVEARBPZSA-N 1 0 409.868 2.797 20 0 HFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164970930 722125852 /nfs/dbraw/zinc/12/58/52/722125852.db2.gz ASUUAMZAYUOZBO-RDJZCZTQSA-N 1 0 423.895 2.984 20 0 HFADRO CCOCc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973371 722135731 /nfs/dbraw/zinc/13/57/31/722135731.db2.gz BZEVKRZKEWKBKA-HKUYNNGSSA-N 1 0 417.941 2.789 20 0 HFADRO COc1cccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981703 722142895 /nfs/dbraw/zinc/14/28/95/722142895.db2.gz PZXITJWJEXQBAR-NQIIRXRSSA-N 1 0 405.502 2.761 20 0 HFADRO Cc1noc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)n1 ZINC001164979575 722144477 /nfs/dbraw/zinc/14/44/77/722144477.db2.gz LGECFDPDBKHJKS-VQTJNVASSA-N 1 0 406.490 2.562 20 0 HFADRO c1csc(-c2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164972171 722157197 /nfs/dbraw/zinc/15/71/97/722157197.db2.gz GIWOWWJPKHJKLN-ZWKOTPCHSA-N 1 0 408.531 2.722 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3ccc(F)cc3)ncn1)CCC2 ZINC001165003852 722256792 /nfs/dbraw/zinc/25/67/92/722256792.db2.gz JPAUDRAUECGZBR-UHFFFAOYSA-N 1 0 410.497 2.968 20 0 HFADRO COc1ccc(C(=O)NCC[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000790467826 1078045087 /nfs/dbraw/zinc/04/50/87/1078045087.db2.gz KFBCLYBKRDPYIT-UHFFFAOYSA-N 1 0 411.502 2.816 20 0 HFADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790499592 1078045342 /nfs/dbraw/zinc/04/53/42/1078045342.db2.gz DJKUGTMARQVYGA-JOCHJYFZSA-N 1 0 405.502 2.745 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000790541164 1078047448 /nfs/dbraw/zinc/04/74/48/1078047448.db2.gz ZWOVODXLFVSBKR-RDJZCZTQSA-N 1 0 411.930 2.564 20 0 HFADRO CCCNC(=O)CN1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790519726 1078049727 /nfs/dbraw/zinc/04/97/27/1078049727.db2.gz RYTXEBVTRBVSKB-UHFFFAOYSA-N 1 0 403.958 2.665 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000793017585 1078050507 /nfs/dbraw/zinc/05/05/07/1078050507.db2.gz WITRWICBOBFEPF-UHFFFAOYSA-N 1 0 423.355 2.897 20 0 HFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000793031548 1078051720 /nfs/dbraw/zinc/05/17/20/1078051720.db2.gz KWKRVKSKKMMVTM-KRWDZBQOSA-N 1 0 418.538 2.562 20 0 HFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cccc(I)c1 ZINC000790551304 1078054311 /nfs/dbraw/zinc/05/43/11/1078054311.db2.gz SSKNXVHAERGLKX-ZDUSSCGKSA-N 1 0 408.305 2.522 20 0 HFADRO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1OC ZINC000793046010 1078055571 /nfs/dbraw/zinc/05/55/71/1078055571.db2.gz ZAOLDQOFSINBDK-FHSNZYRGSA-N 1 0 401.429 2.969 20 0 HFADRO CSCCONC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000793048312 1078056032 /nfs/dbraw/zinc/05/60/32/1078056032.db2.gz JNJHOGSLNNOWIK-UHFFFAOYSA-N 1 0 406.474 2.551 20 0 HFADRO C[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000793049997 1078056791 /nfs/dbraw/zinc/05/67/91/1078056791.db2.gz CIDXBOUMSDVWAB-OVQGTLEDSA-N 1 0 424.545 2.957 20 0 HFADRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccnn2-c2ccc(Br)cn2)CC1 ZINC000790582234 1078061027 /nfs/dbraw/zinc/06/10/27/1078061027.db2.gz FGBDTDZJWKNWJG-UHFFFAOYSA-N 1 0 407.316 2.978 20 0 HFADRO Cc1ccc(CCC[N@@H+]2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)cn1 ZINC000793089541 1078066100 /nfs/dbraw/zinc/06/61/00/1078066100.db2.gz VONYXTHOTUNDOJ-FQEVSTJZSA-N 1 0 416.566 2.866 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000793091120 1078066913 /nfs/dbraw/zinc/06/69/13/1078066913.db2.gz HYXGUXBTAGNBGV-GTCCEBARSA-N 1 0 400.523 2.570 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1F ZINC000790575474 1078067039 /nfs/dbraw/zinc/06/70/39/1078067039.db2.gz HDSUPOLHHMZFNN-GOSISDBHSA-N 1 0 413.559 2.706 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000790577158 1078067070 /nfs/dbraw/zinc/06/70/70/1078067070.db2.gz RTGVTJGLXGKEQF-KRWDZBQOSA-N 1 0 413.971 2.730 20 0 HFADRO CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3CC(c4cccnc4)=NO3)CCCCC2)CCO1 ZINC000790607563 1078074025 /nfs/dbraw/zinc/07/40/25/1078074025.db2.gz WZWRMPJVABOPIM-IBGZPJMESA-N 1 0 400.523 2.505 20 0 HFADRO CNC(=O)c1ccc(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1 ZINC000790609251 1078074590 /nfs/dbraw/zinc/07/45/90/1078074590.db2.gz NSANZCWUNAECIR-QHCPKHFHSA-N 1 0 406.486 2.561 20 0 HFADRO CN(CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C(=O)OCc1ccccc1 ZINC000793105567 1078079085 /nfs/dbraw/zinc/07/90/85/1078079085.db2.gz YWBWDVHDKJSWQX-UHFFFAOYSA-N 1 0 410.518 2.821 20 0 HFADRO Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000746936472 1078081629 /nfs/dbraw/zinc/08/16/29/1078081629.db2.gz SVFUFUKUDCIAON-MRXNPFEDSA-N 1 0 412.534 2.596 20 0 HFADRO CN(c1ccc(NC(=O)[C@H]2COCCN2C2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000793132834 1078086788 /nfs/dbraw/zinc/08/67/88/1078086788.db2.gz UONMXKMMEVSTCU-JOCHJYFZSA-N 1 0 400.567 2.799 20 0 HFADRO COCC1(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793167654 1078089683 /nfs/dbraw/zinc/08/96/83/1078089683.db2.gz HALBZZKMIIFZBK-ZWKOTPCHSA-N 1 0 411.587 2.887 20 0 HFADRO Cc1cc(S(=O)(=O)N(C)C(=O)c2ccc3c[nH+]cn3c2)ccc1Br ZINC000793144996 1078089773 /nfs/dbraw/zinc/08/97/73/1078089773.db2.gz KPLNKMNDUVPIFX-UHFFFAOYSA-N 1 0 408.277 2.866 20 0 HFADRO O=C(OCCCOCCC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793150182 1078091026 /nfs/dbraw/zinc/09/10/26/1078091026.db2.gz WZOXVAWXVOLOJT-LJQANCHMSA-N 1 0 409.548 2.774 20 0 HFADRO O=C1C(=O)N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000772828643 1078093880 /nfs/dbraw/zinc/09/38/80/1078093880.db2.gz NZWIDKPKCTVIGN-UYAOXDASSA-N 1 0 414.550 2.574 20 0 HFADRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1nnnn1C1CC1 ZINC000790721312 1078108368 /nfs/dbraw/zinc/10/83/68/1078108368.db2.gz IFYQMRGZKVRMDS-JTSKRJEESA-N 1 0 409.538 2.767 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793255662 1078111760 /nfs/dbraw/zinc/11/17/60/1078111760.db2.gz RFGVJWMRBTWXAC-GBESFXJTSA-N 1 0 409.571 2.735 20 0 HFADRO O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000793267795 1078113992 /nfs/dbraw/zinc/11/39/92/1078113992.db2.gz WHOAWYPLIXGGIW-VMBOVVBDSA-N 1 0 401.429 2.935 20 0 HFADRO C[NH+](C)CCCNC(=S)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000793284605 1078118005 /nfs/dbraw/zinc/11/80/05/1078118005.db2.gz BHEGSBPDNFTIGB-PMACEKPBSA-N 1 0 418.607 2.840 20 0 HFADRO C[NH+](C)CCCNC(=S)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000793284637 1078118012 /nfs/dbraw/zinc/11/80/12/1078118012.db2.gz BHEGSBPDNFTIGB-WOJBJXKFSA-N 1 0 418.607 2.840 20 0 HFADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790738240 1078120017 /nfs/dbraw/zinc/12/00/17/1078120017.db2.gz FOPKTADFFZMTPH-CDNPAEQRSA-N 1 0 411.521 2.806 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000790738243 1078120050 /nfs/dbraw/zinc/12/00/50/1078120050.db2.gz FOPKTADFFZMTPH-TZYHBYERSA-N 1 0 411.521 2.806 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000793292106 1078120168 /nfs/dbraw/zinc/12/01/68/1078120168.db2.gz YNUOGYCGTKCWAY-HOTGVXAUSA-N 1 0 400.425 2.789 20 0 HFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790747457 1078123516 /nfs/dbraw/zinc/12/35/16/1078123516.db2.gz OIXQKNNMIOFCCK-SUMWQHHRSA-N 1 0 404.873 2.982 20 0 HFADRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790747455 1078123650 /nfs/dbraw/zinc/12/36/50/1078123650.db2.gz OIXQKNNMIOFCCK-GUYCJALGSA-N 1 0 404.873 2.982 20 0 HFADRO C[NH+](C)CCNC(=S)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000793309120 1078124435 /nfs/dbraw/zinc/12/44/35/1078124435.db2.gz WBASONQSWWDSSM-YLJYHZDGSA-N 1 0 403.523 2.603 20 0 HFADRO CSC1(CNC(=O)c2sccc2NC(=O)c2ccncc2)CC[NH+](C)CC1 ZINC000793367349 1078150096 /nfs/dbraw/zinc/15/00/96/1078150096.db2.gz JTYJFUHSGDVGRN-UHFFFAOYSA-N 1 0 404.561 2.953 20 0 HFADRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790884018 1078170270 /nfs/dbraw/zinc/17/02/70/1078170270.db2.gz QJDNVUARFYAXNN-SRUXOGRHSA-N 1 0 404.514 2.992 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 ZINC000793513307 1078196416 /nfs/dbraw/zinc/19/64/16/1078196416.db2.gz BCJMQJXORQJBCG-UWJYYQICSA-N 1 0 413.493 2.915 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C2CCN(C(=O)OCC(C)C)CC2)cc1 ZINC000793513347 1078196463 /nfs/dbraw/zinc/19/64/63/1078196463.db2.gz BJCLFILXRSIHQX-FQEVSTJZSA-N 1 0 405.539 2.919 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000793515349 1078197360 /nfs/dbraw/zinc/19/73/60/1078197360.db2.gz DOPPYYYXTYEVEN-NHCUHLMSSA-N 1 0 411.502 2.998 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1 ZINC000793519557 1078198230 /nfs/dbraw/zinc/19/82/30/1078198230.db2.gz QUWBJOMBFLBYFH-NRFANRHFSA-N 1 0 408.502 2.593 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000793492516 1078201163 /nfs/dbraw/zinc/20/11/63/1078201163.db2.gz VBKSYAPTFFMAPC-GFCCVEGCSA-N 1 0 404.552 2.593 20 0 HFADRO C[NH+](C)CCOC1CCN(C(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000793496932 1078202601 /nfs/dbraw/zinc/20/26/01/1078202601.db2.gz QMZZNUFLQTVTKE-HSZRJFAPSA-N 1 0 417.550 2.604 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793533571 1078205804 /nfs/dbraw/zinc/20/58/04/1078205804.db2.gz JHFJQPBGJJDMKL-HKUYNNGSSA-N 1 0 409.571 2.593 20 0 HFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2cc(C)nn2C)c1 ZINC000793543456 1078207263 /nfs/dbraw/zinc/20/72/63/1078207263.db2.gz UNULOFMOCPPDJV-ZDUSSCGKSA-N 1 0 409.328 2.970 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170434865 1078210471 /nfs/dbraw/zinc/21/04/71/1078210471.db2.gz ANHDWUKFASBZDX-MXBUBSDBSA-N 1 0 423.513 2.793 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(c1nccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170434876 1078210735 /nfs/dbraw/zinc/21/07/35/1078210735.db2.gz APQUZOVEKABLHD-RBUKOAKNSA-N 1 0 412.534 2.888 20 0 HFADRO C[N@H+](Cc1cccc(I)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000793577864 1078213229 /nfs/dbraw/zinc/21/32/29/1078213229.db2.gz BODZIFVMRLBZDA-LBPRGKRZSA-N 1 0 412.193 2.886 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000793648277 1078241056 /nfs/dbraw/zinc/24/10/56/1078241056.db2.gz FYPUZFOJBCTAIZ-NPPFBWRTSA-N 1 0 409.530 2.525 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000793645321 1078239662 /nfs/dbraw/zinc/23/96/62/1078239662.db2.gz AQXKBDJLIGPGGY-RPCJCACASA-N 1 0 401.551 2.515 20 0 HFADRO O=C(C[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC001170436313 1078250606 /nfs/dbraw/zinc/25/06/06/1078250606.db2.gz ZTZBQVGJDBVPIC-UHFFFAOYSA-N 1 0 421.944 2.767 20 0 HFADRO O=C(NCc1ccn(-c2ccccc2)n1)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000793654715 1078258312 /nfs/dbraw/zinc/25/83/12/1078258312.db2.gz LGNCXGWXCJQEOO-UHFFFAOYSA-N 1 0 423.561 2.603 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000793658070 1078259636 /nfs/dbraw/zinc/25/96/36/1078259636.db2.gz ZVANOMUSLKCLOG-IPJJNNNSSA-N 1 0 423.557 2.773 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCCCNC(=O)OCc1ccccc1 ZINC000747144489 1078263245 /nfs/dbraw/zinc/26/32/45/1078263245.db2.gz DQSRISXQCSTZMC-HKBOAZHASA-N 1 0 417.550 2.793 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000793718396 1078263531 /nfs/dbraw/zinc/26/35/31/1078263531.db2.gz JJQZPUZNGJJVJZ-DHIUTWEWSA-N 1 0 423.557 2.686 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000793718251 1078263872 /nfs/dbraw/zinc/26/38/72/1078263872.db2.gz IDEKTVUKDBUQQK-SMCIBBBJSA-N 1 0 423.557 2.661 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000793717713 1078263907 /nfs/dbraw/zinc/26/39/07/1078263907.db2.gz GXFKKFBBJAZWGM-FCHUYYIVSA-N 1 0 411.546 2.604 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000793717715 1078263946 /nfs/dbraw/zinc/26/39/46/1078263946.db2.gz GXFKKFBBJAZWGM-VXKWHMMOSA-N 1 0 411.546 2.604 20 0 HFADRO C[C@@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1nc2ccccc2s1 ZINC000793721626 1078266276 /nfs/dbraw/zinc/26/62/76/1078266276.db2.gz YXGSWVNSMPMFOS-WBVHZDCISA-N 1 0 410.543 2.763 20 0 HFADRO COCc1nn(CN2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)c(=O)o1 ZINC000793726698 1078268119 /nfs/dbraw/zinc/26/81/19/1078268119.db2.gz YJGSACHARNLQAR-HXUWFJFHSA-N 1 0 402.539 2.605 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000793729344 1078268867 /nfs/dbraw/zinc/26/88/67/1078268867.db2.gz HLPHGEYDHZASSH-UHFFFAOYSA-N 1 0 402.492 2.671 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1)[NH+]1CCCCC1 ZINC000793694815 1078271183 /nfs/dbraw/zinc/27/11/83/1078271183.db2.gz BNNMOLQZKSHIEU-IRXDYDNUSA-N 1 0 418.607 2.719 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000793697862 1078272540 /nfs/dbraw/zinc/27/25/40/1078272540.db2.gz RZKUVOLWBJYARJ-DYXWJJEUSA-N 1 0 409.530 2.739 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000793702731 1078275371 /nfs/dbraw/zinc/27/53/71/1078275371.db2.gz PXDZNOKHUDLWQS-HNAYVOBHSA-N 1 0 403.910 2.643 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)[NH+]1CCCCC1 ZINC000793709182 1078277853 /nfs/dbraw/zinc/27/78/53/1078277853.db2.gz KETGFRHZHRBCDO-SFHVURJKSA-N 1 0 413.562 2.883 20 0 HFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c1)CC2 ZINC000793762408 1078280511 /nfs/dbraw/zinc/28/05/11/1078280511.db2.gz LJVAYGNDTRXKSE-BGYRXZFFSA-N 1 0 422.529 2.665 20 0 HFADRO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793736970 1078285488 /nfs/dbraw/zinc/28/54/88/1078285488.db2.gz FXUAVKDZZZKQMC-LJQANCHMSA-N 1 0 400.567 2.623 20 0 HFADRO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793742080 1078287438 /nfs/dbraw/zinc/28/74/38/1078287438.db2.gz NOUWLSUTJIUZJR-FPOVZHCZSA-N 1 0 415.578 2.992 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000793746324 1078288836 /nfs/dbraw/zinc/28/88/36/1078288836.db2.gz FQHWWKLRCQWINX-OCCSQVGLSA-N 1 0 418.579 2.793 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747145267 1078290212 /nfs/dbraw/zinc/29/02/12/1078290212.db2.gz JEAVLMRUILOJQF-CEXWTWQISA-N 1 0 409.571 2.734 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747145268 1078290232 /nfs/dbraw/zinc/29/02/32/1078290232.db2.gz JEAVLMRUILOJQF-GUDVDZBRSA-N 1 0 409.571 2.734 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000793781177 1078292400 /nfs/dbraw/zinc/29/24/00/1078292400.db2.gz FDFVMVAZWVOGRQ-RTWAWAEBSA-N 1 0 415.578 2.993 20 0 HFADRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)c2ccccc2)CC1 ZINC000793782334 1078292566 /nfs/dbraw/zinc/29/25/66/1078292566.db2.gz GOEMRBZJNNPOCB-GMAHTHKFSA-N 1 0 420.557 2.987 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000793783548 1078292973 /nfs/dbraw/zinc/29/29/73/1078292973.db2.gz TZEUHUZTIZMVFJ-HXUWFJFHSA-N 1 0 415.578 2.993 20 0 HFADRO Cc1ncc(CCNC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)s1 ZINC000793788179 1078296181 /nfs/dbraw/zinc/29/61/81/1078296181.db2.gz XNGWNOOXTHNEFH-HXUWFJFHSA-N 1 0 414.575 2.700 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000793808999 1078306517 /nfs/dbraw/zinc/30/65/17/1078306517.db2.gz DFDPCDMVIVAVCS-RFWXGWTQSA-N 1 0 403.567 2.504 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793792515 1078298364 /nfs/dbraw/zinc/29/83/64/1078298364.db2.gz PIYUFKCKGXFTIJ-IPJJNNNSSA-N 1 0 409.530 2.515 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793796163 1078300428 /nfs/dbraw/zinc/30/04/28/1078300428.db2.gz XHJVTZUETQELLQ-PZJWPPBQSA-N 1 0 409.530 2.517 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000793778068 1078309140 /nfs/dbraw/zinc/30/91/40/1078309140.db2.gz IDBSUMGYGWOUDH-XEVCZEQESA-N 1 0 401.551 2.792 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793780908 1078310270 /nfs/dbraw/zinc/31/02/70/1078310270.db2.gz PCFHMALELYYTHV-JTAQYXEDSA-N 1 0 423.557 2.905 20 0 HFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000793839375 1078311108 /nfs/dbraw/zinc/31/11/08/1078311108.db2.gz CVPNVWCIJLLFLK-IRLDBZIGSA-N 1 0 421.541 2.525 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000793846422 1078313298 /nfs/dbraw/zinc/31/32/98/1078313298.db2.gz FQLWVLKTEKEXOU-HZPDHXFCSA-N 1 0 400.548 2.971 20 0 HFADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000793813360 1078315252 /nfs/dbraw/zinc/31/52/52/1078315252.db2.gz IIUAGUPSJLRRRB-QGZVFWFLSA-N 1 0 411.468 2.869 20 0 HFADRO CS[C@@H]1CN(C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000793813451 1078315294 /nfs/dbraw/zinc/31/52/94/1078315294.db2.gz JFUKOXSEYBQCJZ-RTBURBONSA-N 1 0 405.564 2.683 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)CC1 ZINC000793824555 1078317825 /nfs/dbraw/zinc/31/78/25/1078317825.db2.gz LISKWWQBFSDLHP-JOCHJYFZSA-N 1 0 414.594 2.660 20 0 HFADRO Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000793830111 1078320099 /nfs/dbraw/zinc/32/00/99/1078320099.db2.gz QEPBROONTKUMFU-LJQANCHMSA-N 1 0 411.546 2.907 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000793849601 1078321309 /nfs/dbraw/zinc/32/13/09/1078321309.db2.gz NHBCKYUHUBXCGB-KRWDZBQOSA-N 1 0 414.575 2.794 20 0 HFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000793913272 1078336476 /nfs/dbraw/zinc/33/64/76/1078336476.db2.gz QQFAFNLOTXTJLR-FZKCQIBNSA-N 1 0 402.564 2.956 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170439929 1078342027 /nfs/dbraw/zinc/34/20/27/1078342027.db2.gz ANHDWUKFASBZDX-UGTOYMOASA-N 1 0 423.513 2.793 20 0 HFADRO COCC1(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793982842 1078356039 /nfs/dbraw/zinc/35/60/39/1078356039.db2.gz QUGAXSNJFQHBGC-QGZVFWFLSA-N 1 0 411.587 2.887 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001170441705 1078356664 /nfs/dbraw/zinc/35/66/64/1078356664.db2.gz JTHDDWKLXRANKV-JTAQYXEDSA-N 1 0 413.518 2.883 20 0 HFADRO COCCCN(C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000794041800 1078364226 /nfs/dbraw/zinc/36/42/26/1078364226.db2.gz KOSOULNAFUNGJK-GOSISDBHSA-N 1 0 406.445 2.687 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001170443290 1078375712 /nfs/dbraw/zinc/37/57/12/1078375712.db2.gz OYXNCFZIGSCMTR-MBSDFSHPSA-N 1 0 410.518 2.989 20 0 HFADRO CC(C)[C@@H](CO)[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(C)C ZINC001170443185 1078374185 /nfs/dbraw/zinc/37/41/85/1078374185.db2.gz NCIBACGPVADFIL-IFMALSPDSA-N 1 0 409.615 2.506 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000794206154 1078380072 /nfs/dbraw/zinc/38/00/72/1078380072.db2.gz JAPOEFHTNTXEEI-UHFFFAOYSA-N 1 0 411.955 2.627 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C ZINC001170444685 1078391180 /nfs/dbraw/zinc/39/11/80/1078391180.db2.gz UGHVDAKQEQOOFE-NOXFTYBFSA-N 1 0 413.518 2.926 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001170443959 1078391933 /nfs/dbraw/zinc/39/19/33/1078391933.db2.gz SATLEKJWJASPPC-CVDCTZTESA-N 1 0 410.518 2.898 20 0 HFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000794256554 1078392894 /nfs/dbraw/zinc/39/28/94/1078392894.db2.gz HNJCGWHUGKAFNP-INIZCTEOSA-N 1 0 413.559 2.851 20 0 HFADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)c2ccccc2O1 ZINC000772844096 1078394086 /nfs/dbraw/zinc/39/40/86/1078394086.db2.gz JNRWRVVAVNCQHS-QGZVFWFLSA-N 1 0 400.500 2.969 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000794211186 1078394095 /nfs/dbraw/zinc/39/40/95/1078394095.db2.gz XSZWRTPAFWMMDX-UHFFFAOYSA-N 1 0 411.543 2.601 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001170445120 1078401828 /nfs/dbraw/zinc/40/18/28/1078401828.db2.gz VSRHJYBANSXYLU-XAPVIXHLSA-N 1 0 414.546 2.990 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000794338034 1078418833 /nfs/dbraw/zinc/41/88/33/1078418833.db2.gz DXMDNECCKMJAHT-IRXDYDNUSA-N 1 0 418.538 2.774 20 0 HFADRO CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)o1 ZINC000794319442 1078412700 /nfs/dbraw/zinc/41/27/00/1078412700.db2.gz HHRNWQLWZPSEGN-MRXNPFEDSA-N 1 0 408.543 2.788 20 0 HFADRO Cc1cccc(N2CC[NH+](CCC(=O)N(CCO)Cc3cccnc3Cl)CC2)c1 ZINC000794333413 1078417315 /nfs/dbraw/zinc/41/73/15/1078417315.db2.gz VAVUZKGWARSHOP-UHFFFAOYSA-N 1 0 416.953 2.577 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 ZINC000794342850 1078420483 /nfs/dbraw/zinc/42/04/83/1078420483.db2.gz HHBYZKPGIHJRKT-LJQANCHMSA-N 1 0 422.529 2.799 20 0 HFADRO CC[C@@]1(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000794346822 1078421574 /nfs/dbraw/zinc/42/15/74/1078421574.db2.gz XGLAHRZZJZFYMT-QFIPXVFZSA-N 1 0 418.538 2.919 20 0 HFADRO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 ZINC000794348904 1078421856 /nfs/dbraw/zinc/42/18/56/1078421856.db2.gz YSVKPOQFGYFVEH-GOSISDBHSA-N 1 0 412.534 2.953 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000794387188 1078433339 /nfs/dbraw/zinc/43/33/39/1078433339.db2.gz WOLQMHQQSKWWGL-MSOLQXFVSA-N 1 0 408.926 2.589 20 0 HFADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C2=O ZINC001129395944 1078438108 /nfs/dbraw/zinc/43/81/08/1078438108.db2.gz WTGIHPGWKIMNTM-MBSDFSHPSA-N 1 0 418.582 2.744 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420306 1078469346 /nfs/dbraw/zinc/46/93/46/1078469346.db2.gz GSBDNXGQVNXNSK-ZFWWWQNUSA-N 1 0 401.429 2.753 20 0 HFADRO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC001170460647 1078475735 /nfs/dbraw/zinc/47/57/35/1078475735.db2.gz QYIPGWAODUFKPM-CDXJDZJCSA-N 1 0 422.529 2.910 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cc2)CC1 ZINC000804657371 1078489496 /nfs/dbraw/zinc/48/94/96/1078489496.db2.gz PSENOMWMOWPEJJ-OAQYLSRUSA-N 1 0 416.566 2.910 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000804461113 1078501824 /nfs/dbraw/zinc/50/18/24/1078501824.db2.gz ZWCNRYRBHZKCHI-HZNDTHDVSA-N 1 0 417.525 2.918 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000804441698 1078506961 /nfs/dbraw/zinc/50/69/61/1078506961.db2.gz JENUBCDQAKDMTQ-UHFFFAOYSA-N 1 0 406.328 2.978 20 0 HFADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NC(C)(C)C[NH+]3CCCC3)s2)CC1 ZINC001129809021 1078507554 /nfs/dbraw/zinc/50/75/54/1078507554.db2.gz FXBNBKNEIYTCHR-UHFFFAOYSA-N 1 0 413.609 2.773 20 0 HFADRO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC(C)(C)C[NH+](C)C ZINC001129488495 1078508322 /nfs/dbraw/zinc/50/83/22/1078508322.db2.gz UXLPOVCBFNQXRV-UHFFFAOYSA-N 1 0 409.486 2.561 20 0 HFADRO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC(C)(C)C[NH+](C)C)ccc2Cl)C1 ZINC001129488436 1078508465 /nfs/dbraw/zinc/50/84/65/1078508465.db2.gz SFOGVNHVFNDLCA-AWEZNQCLSA-N 1 0 415.987 2.831 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC001129813802 1078511776 /nfs/dbraw/zinc/51/17/76/1078511776.db2.gz VBFMLSLRSUFOFB-VAMGGRTRSA-N 1 0 417.550 2.649 20 0 HFADRO CCc1nn(C)c(Cl)c1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446613 1078513175 /nfs/dbraw/zinc/51/31/75/1078513175.db2.gz LSIJIIWYQGXEQX-GOSISDBHSA-N 1 0 415.969 2.668 20 0 HFADRO COC(=O)COCC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001129532423 1078523783 /nfs/dbraw/zinc/52/37/83/1078523783.db2.gz PMXSKIKLMWKZES-OAQYLSRUSA-N 1 0 402.535 2.859 20 0 HFADRO COC(=O)COCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001129532422 1078523873 /nfs/dbraw/zinc/52/38/73/1078523873.db2.gz PMXSKIKLMWKZES-NRFANRHFSA-N 1 0 402.535 2.859 20 0 HFADRO C[N@H+](CCCCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CC1 ZINC001129515314 1078527861 /nfs/dbraw/zinc/52/78/61/1078527861.db2.gz IHYOAMPQRDRYQJ-UHFFFAOYSA-N 1 0 407.580 2.856 20 0 HFADRO C[N@H+](CCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C1CC1 ZINC001129516182 1078528714 /nfs/dbraw/zinc/52/87/14/1078528714.db2.gz DCWDOYXQSPWXSS-XMMPIXPASA-N 1 0 422.529 2.597 20 0 HFADRO C[NH+]1CCC(CNC(=O)[C@@H](Oc2ccccc2)c2ccccc2)(N2CCOCC2)CC1 ZINC001129846631 1078530299 /nfs/dbraw/zinc/53/02/99/1078530299.db2.gz BZDVXLNYHDCNMR-QHCPKHFHSA-N 1 0 423.557 2.720 20 0 HFADRO C[NH+]1CCC(CNC(=O)C2(Cc3ccc(Cl)cc3)CC2)(N2CCOCC2)CC1 ZINC001129848007 1078531083 /nfs/dbraw/zinc/53/10/83/1078531083.db2.gz NCRGLAILBBWYRC-UHFFFAOYSA-N 1 0 405.970 2.576 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000804696743 1078538883 /nfs/dbraw/zinc/53/88/83/1078538883.db2.gz BZKQZMWOSGESKG-HNNXBMFYSA-N 1 0 402.926 2.905 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)c1 ZINC001129548853 1078539696 /nfs/dbraw/zinc/53/96/96/1078539696.db2.gz XTFLZTZIYQJBIX-UHFFFAOYSA-N 1 0 414.550 2.944 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804509700 1078544930 /nfs/dbraw/zinc/54/49/30/1078544930.db2.gz BZWJRWFQOPRJAV-NOZRDPDXSA-N 1 0 408.542 2.904 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000804524017 1078563363 /nfs/dbraw/zinc/56/33/63/1078563363.db2.gz HJRCYPAADCRIRB-BRWVUGGUSA-N 1 0 417.554 2.833 20 0 HFADRO C[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCNC(=O)C1 ZINC001129564791 1078558478 /nfs/dbraw/zinc/55/84/78/1078558478.db2.gz ZKGOUKVUXRTVBK-IMSXRSKXSA-N 1 0 409.505 2.826 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000804525097 1078563853 /nfs/dbraw/zinc/56/38/53/1078563853.db2.gz YFIVZOGYRJIZSJ-CZUORRHYSA-N 1 0 405.955 2.972 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000804524452 1078562993 /nfs/dbraw/zinc/56/29/93/1078562993.db2.gz QNDFGHAOXRTHEP-GOEBONIOSA-N 1 0 411.955 2.579 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000804526448 1078564664 /nfs/dbraw/zinc/56/46/64/1078564664.db2.gz RMWQCLQENSMCSJ-FBQYSQIDSA-N 1 0 404.514 2.938 20 0 HFADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)ccc1Cl ZINC000804530211 1078567491 /nfs/dbraw/zinc/56/74/91/1078567491.db2.gz AQQVDVRBOPSRJS-UHFFFAOYSA-N 1 0 421.950 2.547 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804533993 1078571377 /nfs/dbraw/zinc/57/13/77/1078571377.db2.gz LGMHKXRJQRWYGR-HSZRJFAPSA-N 1 0 417.550 2.652 20 0 HFADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001129599593 1078573729 /nfs/dbraw/zinc/57/37/29/1078573729.db2.gz NRFKBWHOCQIWLU-OFVILXPXSA-N 1 0 405.542 2.863 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC001129585656 1078584078 /nfs/dbraw/zinc/58/40/78/1078584078.db2.gz USBUCRCNEPXZBL-UHFFFAOYSA-N 1 0 423.604 2.983 20 0 HFADRO CN(C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804563347 1078597105 /nfs/dbraw/zinc/59/71/05/1078597105.db2.gz NXQOSKQERMDVNS-XYPWUTKMSA-N 1 0 405.955 2.971 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000804567410 1078601692 /nfs/dbraw/zinc/60/16/92/1078601692.db2.gz QTIJFLFRNSJIRU-UHFFFAOYSA-N 1 0 407.989 2.695 20 0 HFADRO O=C(N1CCC[C@@H](n2ccnn2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001129933250 1078598406 /nfs/dbraw/zinc/59/84/06/1078598406.db2.gz QZLJJUZQCZGYOH-IEBWSBKVSA-N 1 0 407.440 2.896 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170467335 1078630007 /nfs/dbraw/zinc/63/00/07/1078630007.db2.gz CXWIUTBNSWHMTF-TVFCKZIOSA-N 1 0 417.616 2.957 20 0 HFADRO CCC1([NH+]2CCCC2)CCN(C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)CC1 ZINC001170467683 1078634837 /nfs/dbraw/zinc/63/48/37/1078634837.db2.gz KPDKNPLBPHQYNJ-MRXNPFEDSA-N 1 0 408.568 2.910 20 0 HFADRO CC(C)(C)n1ncc2c1ncnc2N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804807093 1078636882 /nfs/dbraw/zinc/63/68/82/1078636882.db2.gz ATRWXGGYBWPXBF-HXUWFJFHSA-N 1 0 419.577 2.978 20 0 HFADRO Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129679460 1078643357 /nfs/dbraw/zinc/64/33/57/1078643357.db2.gz NXFXOTILBDZFRB-SFHVURJKSA-N 1 0 424.471 2.641 20 0 HFADRO CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C\N[C@@H](C)C[NH+](C)C)C2=O)cc1 ZINC000804600742 1078645281 /nfs/dbraw/zinc/64/52/81/1078645281.db2.gz DSOJNESWTAPRII-YIRPMMGJSA-N 1 0 421.497 2.931 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000804845887 1078652756 /nfs/dbraw/zinc/65/27/56/1078652756.db2.gz QYLWMEBXGIAKST-GPMSIDNRSA-N 1 0 420.554 2.786 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000804828794 1078667682 /nfs/dbraw/zinc/66/76/82/1078667682.db2.gz ANCDTOSPDUIQBK-UGKGYDQZSA-N 1 0 422.573 2.786 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000804832769 1078672236 /nfs/dbraw/zinc/67/22/36/1078672236.db2.gz VDMAXVZPLRTYRD-NRFANRHFSA-N 1 0 408.546 2.540 20 0 HFADRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)c1 ZINC001129738246 1078686438 /nfs/dbraw/zinc/68/64/38/1078686438.db2.gz BNWSTFKGNONPHM-UHFFFAOYSA-N 1 0 404.474 2.581 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NCc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000804862883 1078688955 /nfs/dbraw/zinc/68/89/55/1078688955.db2.gz RVPXMXYKBQUTKK-FEFAJXRQSA-N 1 0 400.544 2.835 20 0 HFADRO CCCCCCn1nc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c2ccccc2c1=O ZINC000747218321 1078690808 /nfs/dbraw/zinc/69/08/08/1078690808.db2.gz LHSOXGRMTUTPQF-UHFFFAOYSA-N 1 0 410.522 2.987 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)CCC[N@H+](C)Cc3ccco3)C2)c1 ZINC000804868108 1078692338 /nfs/dbraw/zinc/69/23/38/1078692338.db2.gz VVUQBRNFHUTESN-NRFANRHFSA-N 1 0 415.490 2.770 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804642918 1078695415 /nfs/dbraw/zinc/69/54/15/1078695415.db2.gz AAFXOGQGVOZKFZ-OXQOHEQNSA-N 1 0 412.534 2.510 20 0 HFADRO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001129742575 1078714404 /nfs/dbraw/zinc/71/44/04/1078714404.db2.gz KZPWJUHXACOWSZ-DHZHZOJOSA-N 1 0 407.514 2.722 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000804896628 1078752778 /nfs/dbraw/zinc/75/27/78/1078752778.db2.gz SHOQYGYIIYDHDV-LIRRHRJNSA-N 1 0 413.440 2.570 20 0 HFADRO CCC(CC)[C@H](CNC(=O)NCc1cccc(NC(=O)OC)c1)[NH+]1CCOCC1 ZINC000804902458 1078757914 /nfs/dbraw/zinc/75/79/14/1078757914.db2.gz HEIBJFLIMSDOGL-IBGZPJMESA-N 1 0 406.527 2.801 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000804951653 1078779499 /nfs/dbraw/zinc/77/94/99/1078779499.db2.gz WAAWEJLZNURPGP-UHFFFAOYSA-N 1 0 401.454 2.895 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170471708 1078781571 /nfs/dbraw/zinc/78/15/71/1078781571.db2.gz UQMMIXXZGFICDX-LDLYASANSA-N 1 0 410.603 2.697 20 0 HFADRO Cc1nc(Cl)ccc1S(=O)(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000804957573 1078797893 /nfs/dbraw/zinc/79/78/93/1078797893.db2.gz LQLOGYCPVQMVGG-UHFFFAOYSA-N 1 0 422.982 2.924 20 0 HFADRO Cc1nc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(Br)n1C ZINC000804963399 1078801436 /nfs/dbraw/zinc/80/14/36/1078801436.db2.gz UTMKUXWLSXRZDE-SCRDCRAPSA-N 1 0 419.389 2.517 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000804970710 1078806078 /nfs/dbraw/zinc/80/60/78/1078806078.db2.gz SXNRMOFJQDQJIT-APWZRJJASA-N 1 0 413.440 2.788 20 0 HFADRO CC[C@@H]1CC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170473162 1078818894 /nfs/dbraw/zinc/81/88/94/1078818894.db2.gz DIAUWNDMJGLSAD-XJNFMUPTSA-N 1 0 413.559 2.599 20 0 HFADRO Cc1cc(-n2c(C)cc(C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)c2C)no1 ZINC000747226653 1078880484 /nfs/dbraw/zinc/88/04/84/1078880484.db2.gz PWDFKLJJPZNSRV-UHFFFAOYSA-N 1 0 400.523 2.965 20 0 HFADRO Cc1nc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C(C)C)c(Br)n1C ZINC000805107663 1078891629 /nfs/dbraw/zinc/89/16/29/1078891629.db2.gz WHCIFLOYASYUQT-UHFFFAOYSA-N 1 0 421.405 2.766 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000805107382 1078892443 /nfs/dbraw/zinc/89/24/43/1078892443.db2.gz RZQWOXHSGUBXGZ-UHFFFAOYSA-N 1 0 409.552 2.918 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000805119039 1078902316 /nfs/dbraw/zinc/90/23/16/1078902316.db2.gz HFJPTVCRRBZNRD-QFBILLFUSA-N 1 0 413.440 2.788 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000747231057 1078944308 /nfs/dbraw/zinc/94/43/08/1078944308.db2.gz DXXSMHIEONZCBX-FPOVZHCZSA-N 1 0 406.486 2.506 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC=C(c3ccc(C)cc3)CC2)CC1 ZINC000805157266 1078950682 /nfs/dbraw/zinc/95/06/82/1078950682.db2.gz PKIBJFSCUHPJEX-UHFFFAOYSA-N 1 0 413.562 2.616 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)ccc1F ZINC000747228765 1078951763 /nfs/dbraw/zinc/95/17/63/1078951763.db2.gz LAQOOUKDNFZDAK-YLJYHZDGSA-N 1 0 418.490 2.917 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1F ZINC000747228753 1078951826 /nfs/dbraw/zinc/95/18/26/1078951826.db2.gz LAQOOUKDNFZDAK-FXAWDEMLSA-N 1 0 418.490 2.917 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199272 1078952691 /nfs/dbraw/zinc/95/26/91/1078952691.db2.gz QEWXWWUQJYRPRX-TVTNDZMWSA-N 1 0 406.571 2.902 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000747232076 1078956573 /nfs/dbraw/zinc/95/65/73/1078956573.db2.gz QZQAAUHDJBMNHZ-KCZVDYSFSA-N 1 0 406.482 2.734 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000805170544 1078957208 /nfs/dbraw/zinc/95/72/08/1078957208.db2.gz HOPGRBNJOFKOPE-FXAWDEMLSA-N 1 0 402.539 2.675 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000805170548 1078957608 /nfs/dbraw/zinc/95/76/08/1078957608.db2.gz HOPGRBNJOFKOPE-XLIONFOSSA-N 1 0 402.539 2.675 20 0 HFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 ZINC000805180534 1078964909 /nfs/dbraw/zinc/96/49/09/1078964909.db2.gz KUIRLNKUINSJTO-XXBNENTESA-N 1 0 416.610 2.724 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)CCSC1 ZINC000805181367 1078965272 /nfs/dbraw/zinc/96/52/72/1078965272.db2.gz KMQMHNMJOJRBOM-YLJYHZDGSA-N 1 0 412.600 2.657 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)CCSC1 ZINC000805181366 1078965321 /nfs/dbraw/zinc/96/53/21/1078965321.db2.gz KMQMHNMJOJRBOM-XLIONFOSSA-N 1 0 412.600 2.657 20 0 HFADRO C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)C[NH+]1CCCCC1 ZINC000805182662 1078965617 /nfs/dbraw/zinc/96/56/17/1078965617.db2.gz OTLQNWXUOPORDB-VGWMRTNUSA-N 1 0 406.493 2.595 20 0 HFADRO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184227 1078966069 /nfs/dbraw/zinc/96/60/69/1078966069.db2.gz LDPSLZRXUFWETQ-IEBWSBKVSA-N 1 0 402.539 2.914 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000747236217 1078994351 /nfs/dbraw/zinc/99/43/51/1078994351.db2.gz BPLCXPIEWYSPSL-IBWPDUFMSA-N 1 0 404.488 2.581 20 0 HFADRO CNC(=O)c1cncc(/C=C\C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000805276937 1079005232 /nfs/dbraw/zinc/00/52/32/1079005232.db2.gz LTRWXHCXMMSRPN-JLXOPUERSA-N 1 0 410.518 2.661 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236681 1079011787 /nfs/dbraw/zinc/01/17/87/1079011787.db2.gz NUJSXPFXUKUCJT-OLZOCXBDSA-N 1 0 412.387 2.623 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1F ZINC000805332379 1079022921 /nfs/dbraw/zinc/02/29/21/1079022921.db2.gz SRSAODAJGWDATB-MAUKXSAKSA-N 1 0 411.543 2.555 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000805397744 1079039466 /nfs/dbraw/zinc/03/94/66/1079039466.db2.gz UORDOPSJLMHLKT-VQIMIIECSA-N 1 0 413.440 2.646 20 0 HFADRO O=S(=O)(/C=C/c1ccc(F)cc1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000747241680 1079055966 /nfs/dbraw/zinc/05/59/66/1079055966.db2.gz DCCHZHYNNKJSED-WOJGMQOQSA-N 1 0 417.550 2.924 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000805434772 1079062893 /nfs/dbraw/zinc/06/28/93/1079062893.db2.gz ZLLDIVZIZRLULO-YJBOKZPZSA-N 1 0 405.461 2.921 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000805434771 1079062938 /nfs/dbraw/zinc/06/29/38/1079062938.db2.gz ZLLDIVZIZRLULO-QAPCUYQASA-N 1 0 405.461 2.921 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000805636086 1079189564 /nfs/dbraw/zinc/18/95/64/1079189564.db2.gz KNXMKYJTOAQBAP-QRVBRYPASA-N 1 0 419.566 2.711 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2cnn(C)c2C2CC2)CC1 ZINC000747256846 1079188233 /nfs/dbraw/zinc/18/82/33/1079188233.db2.gz QZROAJRHTAFCKN-UHFFFAOYSA-N 1 0 410.518 2.544 20 0 HFADRO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001130301076 1079192127 /nfs/dbraw/zinc/19/21/27/1079192127.db2.gz GRKVOPXWNNUGBA-RTBURBONSA-N 1 0 415.563 2.810 20 0 HFADRO COc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001130301635 1079193869 /nfs/dbraw/zinc/19/38/69/1079193869.db2.gz SKNUCRRZLJQKTR-QZTJIDSGSA-N 1 0 401.536 2.501 20 0 HFADRO CCOc1cnc(Cl)nc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170487216 1079222986 /nfs/dbraw/zinc/22/29/86/1079222986.db2.gz TXGFDKFXGFOXKV-WLYUNCDWSA-N 1 0 403.914 2.900 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)C[C@@H](O)CC(C)(C)C)CC1 ZINC000805728887 1079238038 /nfs/dbraw/zinc/23/80/38/1079238038.db2.gz VTUOWQIQZXTUGN-HXUWFJFHSA-N 1 0 404.551 2.760 20 0 HFADRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)N1CCC2(CC1)OCCO2 ZINC000805772249 1079246252 /nfs/dbraw/zinc/24/62/52/1079246252.db2.gz HSJHZTPLDKGEOG-HNNXBMFYSA-N 1 0 400.441 2.934 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCO[C@H]3CCCC[C@H]31)C2 ZINC000805792398 1079257549 /nfs/dbraw/zinc/25/75/49/1079257549.db2.gz BLKBOVHVUKWQFF-MSYCTHLASA-N 1 0 421.582 2.879 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805832175 1079272317 /nfs/dbraw/zinc/27/23/17/1079272317.db2.gz AAUHHKVQNMRRNX-HXUWFJFHSA-N 1 0 402.539 2.628 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805763779 1079265570 /nfs/dbraw/zinc/26/55/70/1079265570.db2.gz XFOVDTLAFKDHNR-KRWDZBQOSA-N 1 0 404.511 2.894 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(CCOC)C(=O)[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170488392 1079266454 /nfs/dbraw/zinc/26/64/54/1079266454.db2.gz GHKGMZPOLUQVLG-OBKDMQGPSA-N 1 0 423.598 2.980 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000805766601 1079267386 /nfs/dbraw/zinc/26/73/86/1079267386.db2.gz AGIRMSVOKJEDLP-LAUBAEHRSA-N 1 0 410.518 2.707 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000805765886 1079268294 /nfs/dbraw/zinc/26/82/94/1079268294.db2.gz RINKGELQINOHBD-KRWDZBQOSA-N 1 0 411.568 2.734 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](C(=O)OC(C)C)C(C)C)CC1 ZINC001170489540 1079293859 /nfs/dbraw/zinc/29/38/59/1079293859.db2.gz GBLDDXRRIMDZQQ-QFIPXVFZSA-N 1 0 403.567 2.641 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)cc1Cl ZINC000747273348 1079303745 /nfs/dbraw/zinc/30/37/45/1079303745.db2.gz MEPNUBIRHVGWRD-LLVKDONJSA-N 1 0 409.335 2.742 20 0 HFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@]2(COC)CCCN2C(=O)OC(C)(C)C)C1 ZINC000805857466 1079304582 /nfs/dbraw/zinc/30/45/82/1079304582.db2.gz CDTYWKJYSSHFSD-UTKZUKDTSA-N 1 0 412.575 2.528 20 0 HFADRO COC[C@@]1(CNC(=O)N(C)CC2([NH+](C)C)CCC2)CCCN1C(=O)OC(C)(C)C ZINC000805859984 1079307731 /nfs/dbraw/zinc/30/77/31/1079307731.db2.gz XCFDMQNMRDGMQA-NRFANRHFSA-N 1 0 412.575 2.528 20 0 HFADRO Cc1cccnc1[C@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)C(C)C ZINC000805872741 1079314083 /nfs/dbraw/zinc/31/40/83/1079314083.db2.gz UHCWYTBCAHNZAZ-OAQYLSRUSA-N 1 0 410.562 2.836 20 0 HFADRO CCOC(=O)c1sc2nc(C[NH2+][C@H]([C@H](CO)C3CC3)C3CC3)nc(N)c2c1C ZINC001170490469 1079317207 /nfs/dbraw/zinc/31/72/07/1079317207.db2.gz MHINHYCDCHSMST-CJNGLKHVSA-N 1 0 404.536 2.645 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)C(C)(C)C1 ZINC001130421267 1079340779 /nfs/dbraw/zinc/34/07/79/1079340779.db2.gz NCZVLXPYKSFEJO-VGSWGCGISA-N 1 0 409.571 2.593 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000805941897 1079344357 /nfs/dbraw/zinc/34/43/57/1079344357.db2.gz CFGJAUNFBAORJY-XXBNENTESA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000805940946 1079344367 /nfs/dbraw/zinc/34/43/67/1079344367.db2.gz IMWXCSGCUYAYHO-OAQYLSRUSA-N 1 0 422.573 2.670 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(Cn4cncn4)cc3)cc2)CC1 ZINC001170493252 1079346363 /nfs/dbraw/zinc/34/63/63/1079346363.db2.gz JSSKECLYRISQQS-QHGAOEGBSA-N 1 0 404.518 2.698 20 0 HFADRO CC1(C(=O)OC[C@@H]2CN(c3ncccn3)CCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000805931121 1079360341 /nfs/dbraw/zinc/36/03/41/1079360341.db2.gz DUYKZJLKMRUONI-FQEVSTJZSA-N 1 0 410.518 2.527 20 0 HFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)CC1 ZINC000747278994 1079360429 /nfs/dbraw/zinc/36/04/29/1079360429.db2.gz OBHBGTWIZJWELO-ZROIWOOFSA-N 1 0 417.369 2.792 20 0 HFADRO C[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001130458888 1079382626 /nfs/dbraw/zinc/38/26/26/1079382626.db2.gz WTKQYZBBRJZIND-XZWCOCNFSA-N 1 0 405.542 2.954 20 0 HFADRO COC(=O)CC[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)O1 ZINC001130459007 1079383075 /nfs/dbraw/zinc/38/30/75/1079383075.db2.gz YJEUXMVRAQZUPE-CPDPWVEUSA-N 1 0 402.535 2.997 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000747284152 1079384277 /nfs/dbraw/zinc/38/42/77/1079384277.db2.gz XHUGPYUKDRGXLB-IMTHGLKYSA-N 1 0 414.527 2.768 20 0 HFADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001130517976 1079448766 /nfs/dbraw/zinc/44/87/66/1079448766.db2.gz BRXYKRGKABDIFT-SJORKVTESA-N 1 0 408.340 2.702 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@@H+](C)CC(C)C)C2)s1 ZINC001130523648 1079459142 /nfs/dbraw/zinc/45/91/42/1079459142.db2.gz HSMAOYXSBOZANF-QGZVFWFLSA-N 1 0 415.625 2.551 20 0 HFADRO COc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519866 1079451565 /nfs/dbraw/zinc/45/15/65/1079451565.db2.gz YLAMMFPOTUSLGT-DLBZAZTESA-N 1 0 423.579 2.519 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000806169661 1079459970 /nfs/dbraw/zinc/45/99/70/1079459970.db2.gz ISCAQOHPOWPQKT-GOSISDBHSA-N 1 0 417.554 2.961 20 0 HFADRO Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001130542295 1079462833 /nfs/dbraw/zinc/46/28/33/1079462833.db2.gz SJDYZUGSKYOGGK-UHFFFAOYSA-N 1 0 413.566 2.986 20 0 HFADRO Cn1nc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1C(F)(F)F ZINC001130527854 1079464440 /nfs/dbraw/zinc/46/44/40/1079464440.db2.gz IZTLZSLYGSRCGQ-DLBZAZTESA-N 1 0 408.424 2.554 20 0 HFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806146719 1079467170 /nfs/dbraw/zinc/46/71/70/1079467170.db2.gz CTCDEOMCVIYBQZ-MRXNPFEDSA-N 1 0 408.907 2.600 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)N[C@H]2CSc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000806151829 1079468057 /nfs/dbraw/zinc/46/80/57/1079468057.db2.gz QZAWPNKGUGBNLG-CVDCTZTESA-N 1 0 409.555 2.978 20 0 HFADRO COC[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000806165250 1079475118 /nfs/dbraw/zinc/47/51/18/1079475118.db2.gz FBYMSAAZBHJRTC-ZWKOTPCHSA-N 1 0 412.575 2.576 20 0 HFADRO COC[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000806165245 1079475130 /nfs/dbraw/zinc/47/51/30/1079475130.db2.gz FBYMSAAZBHJRTC-MSOLQXFVSA-N 1 0 412.575 2.576 20 0 HFADRO COCc1cc([C@@H](C)[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1OC ZINC000806183095 1079476691 /nfs/dbraw/zinc/47/66/91/1079476691.db2.gz LYTZSGNJGNTKER-APWZRJJASA-N 1 0 404.532 2.955 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000806248543 1079501792 /nfs/dbraw/zinc/50/17/92/1079501792.db2.gz FNTVPAPOTCYQAH-PBHICJAKSA-N 1 0 402.520 2.973 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000787334784 1076746048 /nfs/dbraw/zinc/74/60/48/1076746048.db2.gz FICUFORIDWLAQC-UHFFFAOYSA-N 1 0 419.566 2.823 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335853 1076746641 /nfs/dbraw/zinc/74/66/41/1076746641.db2.gz VWOARKMIXJMFFG-KZNAEPCWSA-N 1 0 424.586 2.669 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1cccnc1Oc1cccc(F)c1)[NH+]1CCCCC1 ZINC000787300268 1076749062 /nfs/dbraw/zinc/74/90/62/1076749062.db2.gz YREZHOLSIGBJPG-MRXNPFEDSA-N 1 0 414.481 2.620 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322280 1076766158 /nfs/dbraw/zinc/76/61/58/1076766158.db2.gz CZESIGJXWQVRAU-KURKYZTESA-N 1 0 424.586 2.717 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787377443 1076779805 /nfs/dbraw/zinc/77/98/05/1076779805.db2.gz NQRVWXYHTABTRC-HZPDHXFCSA-N 1 0 405.543 2.738 20 0 HFADRO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000787440133 1076811361 /nfs/dbraw/zinc/81/13/61/1076811361.db2.gz IOGUDAMGLLMGFR-UHFFFAOYSA-N 1 0 401.479 2.928 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000787530698 1076850393 /nfs/dbraw/zinc/85/03/93/1076850393.db2.gz BLHGVFYVQIGYIE-GOSISDBHSA-N 1 0 407.559 2.869 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000787531771 1076850486 /nfs/dbraw/zinc/85/04/86/1076850486.db2.gz HWPOCHHKSWKTJI-UHFFFAOYSA-N 1 0 414.531 2.661 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000787534158 1076851359 /nfs/dbraw/zinc/85/13/59/1076851359.db2.gz SKRIIXQMWJTUTA-UHFFFAOYSA-N 1 0 403.976 2.831 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)CC)ccc1Br ZINC000787535650 1076852105 /nfs/dbraw/zinc/85/21/05/1076852105.db2.gz HQBWWXOWSJNGAX-UHFFFAOYSA-N 1 0 405.358 2.657 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)[NH+]1CCCCC1 ZINC000787611723 1076878326 /nfs/dbraw/zinc/87/83/26/1076878326.db2.gz VSUZPIZNGQTDTM-YLJYHZDGSA-N 1 0 420.985 2.584 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000787616381 1076879337 /nfs/dbraw/zinc/87/93/37/1076879337.db2.gz LUHSUNSOBVXUCH-NRFANRHFSA-N 1 0 402.583 2.632 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)ncc21)c1ccsc1 ZINC000787617845 1076880328 /nfs/dbraw/zinc/88/03/28/1076880328.db2.gz UBNIZYQNFCJVID-OALUTQOASA-N 1 0 415.563 2.539 20 0 HFADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000787621511 1076881964 /nfs/dbraw/zinc/88/19/64/1076881964.db2.gz HLGMXVSCOBGJIQ-KXTWHKPSSA-N 1 0 412.534 2.744 20 0 HFADRO CC[C@H](CNC(=O)C(=O)N[C@@H](C)COc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000787631192 1076883947 /nfs/dbraw/zinc/88/39/47/1076883947.db2.gz ISHJHFDQRXPWDZ-GHTZIAJQSA-N 1 0 409.530 2.523 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000787600749 1076888039 /nfs/dbraw/zinc/88/80/39/1076888039.db2.gz XUAOTEIGSWAGHI-HXUWFJFHSA-N 1 0 416.566 2.890 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000746701879 1076906342 /nfs/dbraw/zinc/90/63/42/1076906342.db2.gz KOGDTZDEPGCTOV-BYCMXARLSA-N 1 0 415.968 2.822 20 0 HFADRO CC(C)c1ccc(N2CC[C@H](C(=O)N3CC[N@@H+](C4CCOCC4)C[C@H]3C)C2=O)cc1 ZINC000787679420 1076908455 /nfs/dbraw/zinc/90/84/55/1076908455.db2.gz QLBAUVDYJNNPLY-XMSQKQJNSA-N 1 0 413.562 2.875 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000787686765 1076911875 /nfs/dbraw/zinc/91/18/75/1076911875.db2.gz GFVFFXPVHKELFV-UHFFFAOYSA-N 1 0 414.594 2.805 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000787688167 1076912215 /nfs/dbraw/zinc/91/22/15/1076912215.db2.gz ZQKOWIQVBGPDHX-KUHUBIRLSA-N 1 0 400.441 2.625 20 0 HFADRO CN1CC[C@@H]([NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1c1ccccc1 ZINC000787689539 1076913453 /nfs/dbraw/zinc/91/34/53/1076913453.db2.gz LKNOSDROOLGINY-OXQOHEQNSA-N 1 0 412.559 2.699 20 0 HFADRO C[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2s1 ZINC000787708154 1076920778 /nfs/dbraw/zinc/92/07/78/1076920778.db2.gz RZDFWEJWLCQWPC-OWCLPIDISA-N 1 0 402.564 2.958 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000787715224 1076923781 /nfs/dbraw/zinc/92/37/81/1076923781.db2.gz BUMCUZKQUNQTNI-UHFFFAOYSA-N 1 0 407.511 2.734 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000787751298 1076926350 /nfs/dbraw/zinc/92/63/50/1076926350.db2.gz XTIVZYYHLDFIFL-UHFFFAOYSA-N 1 0 422.574 2.654 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000787752142 1076927048 /nfs/dbraw/zinc/92/70/48/1076927048.db2.gz SDGINFYZYIJXTK-DENIHFKCSA-N 1 0 409.530 2.832 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000787753620 1076927963 /nfs/dbraw/zinc/92/79/63/1076927963.db2.gz ZRBYMZIJOWNCDF-SFHVURJKSA-N 1 0 400.910 2.613 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)CCN1C(=O)OC(C)(C)C ZINC000787759416 1076929022 /nfs/dbraw/zinc/92/90/22/1076929022.db2.gz GELYJUGJHUJMHC-ZACQAIPSSA-N 1 0 412.527 2.593 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc2ncc(I)n2c1 ZINC000787767368 1076930505 /nfs/dbraw/zinc/93/05/05/1076930505.db2.gz NCXUVYUWPMTUJE-UHFFFAOYSA-N 1 0 414.291 2.743 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000787737359 1076936058 /nfs/dbraw/zinc/93/60/58/1076936058.db2.gz OZMTUSQYDHIDII-RCZVLFRGSA-N 1 0 423.557 2.744 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000787737357 1076936086 /nfs/dbraw/zinc/93/60/86/1076936086.db2.gz OZMTUSQYDHIDII-DHLKQENFSA-N 1 0 423.557 2.744 20 0 HFADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000787739352 1076936643 /nfs/dbraw/zinc/93/66/43/1076936643.db2.gz UBSMACAEQKSMIL-IRLDBZIGSA-N 1 0 406.530 2.741 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000787740971 1076937786 /nfs/dbraw/zinc/93/77/86/1076937786.db2.gz XQLFOYVJYTWTFA-XMSQKQJNSA-N 1 0 409.530 2.700 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CCN1C(=O)OC(C)(C)C ZINC000787767194 1076941007 /nfs/dbraw/zinc/94/10/07/1076941007.db2.gz URPHZIXUGZDTSO-IHSNIMORSA-N 1 0 414.568 2.572 20 0 HFADRO CC(C)Oc1ccc(CC[C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000787877341 1076972161 /nfs/dbraw/zinc/97/21/61/1076972161.db2.gz XANKQBAGVRCHAD-RBUKOAKNSA-N 1 0 403.567 2.902 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000787880742 1076975588 /nfs/dbraw/zinc/97/55/88/1076975588.db2.gz UJNPXRBANORWGW-UHFFFAOYSA-N 1 0 405.502 2.969 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CCCc3ccccc32)cc1 ZINC000787883142 1076976422 /nfs/dbraw/zinc/97/64/22/1076976422.db2.gz HHGVVLXREQAMIP-XMMPIXPASA-N 1 0 409.530 2.807 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)Nc2cc(C)cnc2Cl)CC1 ZINC000787892764 1076981072 /nfs/dbraw/zinc/98/10/72/1076981072.db2.gz XKHPNYAFGYHNMR-UHFFFAOYSA-N 1 0 410.946 2.579 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CCC2 ZINC000787904470 1076988643 /nfs/dbraw/zinc/98/86/43/1076988643.db2.gz SSWRCPSOZJVJPM-MJGOQNOKSA-N 1 0 403.571 2.728 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc1C ZINC000787909713 1076991823 /nfs/dbraw/zinc/99/18/23/1076991823.db2.gz MLWDOBPVRUITIX-LJQANCHMSA-N 1 0 414.594 2.580 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000787916002 1076994577 /nfs/dbraw/zinc/99/45/77/1076994577.db2.gz UVAAFTIXUOYDGG-OYRHEFFESA-N 1 0 414.594 2.518 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000787916840 1076994780 /nfs/dbraw/zinc/99/47/80/1076994780.db2.gz YQJUMMQTUIHMMU-WSTZPKSXSA-N 1 0 417.598 2.832 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c1 ZINC000787902375 1077004790 /nfs/dbraw/zinc/00/47/90/1077004790.db2.gz XJSMSMADHUJSTA-UHFFFAOYSA-N 1 0 416.909 2.750 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000787969825 1077012626 /nfs/dbraw/zinc/01/26/26/1077012626.db2.gz WHONNBCFTFZSJK-UHFFFAOYSA-N 1 0 408.506 2.549 20 0 HFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000746719258 1077014782 /nfs/dbraw/zinc/01/47/82/1077014782.db2.gz AHTLQVFMASBGBH-MJGOQNOKSA-N 1 0 409.889 2.821 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000787941002 1077018018 /nfs/dbraw/zinc/01/80/18/1077018018.db2.gz ORIUCJIGCXMJGC-JHMKDJTOSA-N 1 0 409.530 2.744 20 0 HFADRO Cc1ccc2c(C[NH+]3CCC(CO)(NC(=O)OC(C)(C)C)CC3)cc(=O)oc2c1 ZINC000788004520 1077025997 /nfs/dbraw/zinc/02/59/97/1077025997.db2.gz VGOUMPJEWGSASY-UHFFFAOYSA-N 1 0 402.491 2.953 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000746726118 1077041917 /nfs/dbraw/zinc/04/19/17/1077041917.db2.gz MHZXNXQKXFMEMF-UHFFFAOYSA-N 1 0 420.554 2.826 20 0 HFADRO C[C@H](C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCc2ccccc21 ZINC000788137811 1077062576 /nfs/dbraw/zinc/06/25/76/1077062576.db2.gz NQRDZEMQTAARMF-XQBPLPMBSA-N 1 0 421.541 2.760 20 0 HFADRO CC(=O)CC(C)(C)CC(=O)OCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000788142262 1077063798 /nfs/dbraw/zinc/06/37/98/1077063798.db2.gz UWFQYFQCPAMKGQ-UHFFFAOYSA-N 1 0 402.535 2.968 20 0 HFADRO COc1cc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cnc1Br ZINC000788174747 1077066930 /nfs/dbraw/zinc/06/69/30/1077066930.db2.gz KOBJEBLTBAGXDS-UHFFFAOYSA-N 1 0 419.323 2.852 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)CC3CCC4(CC3)OCCO4)CC2)c1 ZINC000788154523 1077070222 /nfs/dbraw/zinc/07/02/22/1077070222.db2.gz ITDKQHAKJYYXIR-UHFFFAOYSA-N 1 0 415.578 2.947 20 0 HFADRO COc1cc(CNC(=O)CC2CCC3(CC2)OCCO3)ccc1OCC[NH+](C)C ZINC000788194017 1077075616 /nfs/dbraw/zinc/07/56/16/1077075616.db2.gz POHXCNWKVYTBEY-UHFFFAOYSA-N 1 0 406.523 2.575 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cnc(Br)c(OC)c2)[C@@H](C)C1 ZINC000788222035 1077082607 /nfs/dbraw/zinc/08/26/07/1077082607.db2.gz HIRKKHDGICVCMM-DZGCQCFKSA-N 1 0 414.344 2.720 20 0 HFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CC1CCC2(CC1)OCCO2 ZINC000788227227 1077083462 /nfs/dbraw/zinc/08/34/62/1077083462.db2.gz LYDORXQBKYMXHX-UHFFFAOYSA-N 1 0 421.626 2.965 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000788259499 1077088178 /nfs/dbraw/zinc/08/81/78/1077088178.db2.gz WGWCVZGSCWPRSO-ZWKOTPCHSA-N 1 0 415.600 2.759 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000788259494 1077088223 /nfs/dbraw/zinc/08/82/23/1077088223.db2.gz WGWCVZGSCWPRSO-QZTJIDSGSA-N 1 0 415.600 2.759 20 0 HFADRO O=C(c1nc(Br)sc1C1CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000788305720 1077092739 /nfs/dbraw/zinc/09/27/39/1077092739.db2.gz IRLSDTQLLGBTBV-UHFFFAOYSA-N 1 0 414.369 2.967 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NC[C@]2(O)CCc3ccccc32)c1-c1ccccc1 ZINC000788307561 1077093188 /nfs/dbraw/zinc/09/31/88/1077093188.db2.gz CQDHPYUGCUPNGJ-XMMPIXPASA-N 1 0 404.514 2.676 20 0 HFADRO CC1(C(=O)O[C@H]2CCN(C3CCOCC3)C2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000772717763 1077093420 /nfs/dbraw/zinc/09/34/20/1077093420.db2.gz IDSJPZBYZVFRLY-FQEVSTJZSA-N 1 0 400.519 2.612 20 0 HFADRO CN(C(=S)NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2cnccn2)CC1 ZINC000788339524 1077109034 /nfs/dbraw/zinc/10/90/34/1077109034.db2.gz XJOIACFMXXWHJS-UHFFFAOYSA-N 1 0 424.618 2.916 20 0 HFADRO C[NH+](C)CC1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000788309150 1077115097 /nfs/dbraw/zinc/11/50/97/1077115097.db2.gz SDWOHIXBAUZIJN-JBBFKITRSA-N 1 0 424.545 2.815 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744762 1077125907 /nfs/dbraw/zinc/12/59/07/1077125907.db2.gz WRAMMJDOOKTCMA-ROUUACIJSA-N 1 0 400.454 2.784 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCCSC(C)(C)C ZINC000788365116 1077127169 /nfs/dbraw/zinc/12/71/69/1077127169.db2.gz TVIXVECWSCFJTJ-DZFIZOCASA-N 1 0 405.608 2.907 20 0 HFADRO Cn1cc(-c2ccc(=O)n(CN3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)n2)cn1 ZINC000788372874 1077131728 /nfs/dbraw/zinc/13/17/28/1077131728.db2.gz GQMALJSXMUCTDF-REWPJTCUSA-N 1 0 418.545 2.588 20 0 HFADRO COc1cccc([C@H](O)C[NH2+][C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000788430820 1077144178 /nfs/dbraw/zinc/14/41/78/1077144178.db2.gz QOOWSIXCCQIXRH-HSALFYBXSA-N 1 0 406.523 2.733 20 0 HFADRO CC1(C(=O)OCC(=O)NC[C@H]2Cc3ccccc3O2)CC[NH+](Cc2ccccc2)CC1 ZINC000772718767 1077145484 /nfs/dbraw/zinc/14/54/84/1077145484.db2.gz MUFKVYFGVNQYRK-OAQYLSRUSA-N 1 0 422.525 2.952 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)C2CC2)C1 ZINC000788438354 1077147390 /nfs/dbraw/zinc/14/73/90/1077147390.db2.gz UCSVUDDZXFMTRU-CMKODMSKSA-N 1 0 402.539 2.664 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000788483762 1077176169 /nfs/dbraw/zinc/17/61/69/1077176169.db2.gz JZZNSNZGLUUPJJ-CYBMUJFWSA-N 1 0 413.440 2.753 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCN(C/C=C\c3ccccc3)CC2)CC1 ZINC000788484516 1077176821 /nfs/dbraw/zinc/17/68/21/1077176821.db2.gz ZCLJCEKPMGOSTA-YFHOEESVSA-N 1 0 414.594 2.870 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000788536744 1077192658 /nfs/dbraw/zinc/19/26/58/1077192658.db2.gz NOCNECSPTFDOEB-UHFFFAOYSA-N 1 0 419.975 2.716 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1c1cccs1 ZINC000788543363 1077195286 /nfs/dbraw/zinc/19/52/86/1077195286.db2.gz UTOJPGWGLIIDEY-DGCLKSJQSA-N 1 0 409.499 2.616 20 0 HFADRO Cc1cc(S(C)(=O)=O)ccc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000788531273 1077204169 /nfs/dbraw/zinc/20/41/69/1077204169.db2.gz QXHDUDIVFYHIBN-KPKJPENVSA-N 1 0 402.516 2.991 20 0 HFADRO CNC(=O)Cn1ccc2ccc(NC(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)cc21 ZINC000788531810 1077204840 /nfs/dbraw/zinc/20/48/40/1077204840.db2.gz DAHLIWXALVBRCU-IZZDOVSWSA-N 1 0 420.513 2.980 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000788535407 1077205646 /nfs/dbraw/zinc/20/56/46/1077205646.db2.gz CWLRKFQFGBFSMR-UHFFFAOYSA-N 1 0 417.522 2.600 20 0 HFADRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c(Cl)n1 ZINC000788610228 1077206586 /nfs/dbraw/zinc/20/65/86/1077206586.db2.gz GZGJWODXEONEGA-UHFFFAOYSA-N 1 0 408.955 2.766 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)NC[C@@]3(O)CCO[C@@H]3C)cc2Cl)CC1 ZINC000788576437 1077211211 /nfs/dbraw/zinc/21/12/11/1077211211.db2.gz IRNBIBCGASYNID-QRWLVFNGSA-N 1 0 410.946 2.533 20 0 HFADRO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000788594692 1077216703 /nfs/dbraw/zinc/21/67/03/1077216703.db2.gz XPQDSQPLKCJUQJ-LJQANCHMSA-N 1 0 416.566 2.572 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(C)c1Cl ZINC000788597045 1077217540 /nfs/dbraw/zinc/21/75/40/1077217540.db2.gz YCYLBSUSKIMBDH-UHFFFAOYSA-N 1 0 406.957 2.649 20 0 HFADRO COC(=O)c1cncc(S(=O)(=O)Oc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000788601027 1077219608 /nfs/dbraw/zinc/21/96/08/1077219608.db2.gz NJAYPMHGXROCMS-UHFFFAOYSA-N 1 0 420.487 2.501 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000788643857 1077222836 /nfs/dbraw/zinc/22/28/36/1077222836.db2.gz BRDIXIPFLQLGDB-PWRODBHTSA-N 1 0 422.529 2.665 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCn2c(C)nc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788646131 1077223682 /nfs/dbraw/zinc/22/36/82/1077223682.db2.gz QYKVUTZAUTXMGS-MJGOQNOKSA-N 1 0 416.522 2.875 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788649377 1077224571 /nfs/dbraw/zinc/22/45/71/1077224571.db2.gz BDYSRZJWIHNMJL-DGQTTZFYSA-N 1 0 424.545 2.815 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCC(C)CC1 ZINC000788651211 1077225860 /nfs/dbraw/zinc/22/58/60/1077225860.db2.gz ZAOINESQMQFVOF-UIFIKXQLSA-N 1 0 424.545 2.815 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCC(C)CC1 ZINC000788651209 1077225898 /nfs/dbraw/zinc/22/58/98/1077225898.db2.gz ZAOINESQMQFVOF-QMMLZNLJSA-N 1 0 424.545 2.815 20 0 HFADRO COc1ccc(CCS(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000788617017 1077229478 /nfs/dbraw/zinc/22/94/78/1077229478.db2.gz BUKCGLRKEUHSED-NRFANRHFSA-N 1 0 402.560 2.722 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000788619370 1077230222 /nfs/dbraw/zinc/23/02/22/1077230222.db2.gz DKBPCIVHIVQCKG-OAHLLOKOSA-N 1 0 400.483 2.626 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)=NO1 ZINC000788621893 1077232456 /nfs/dbraw/zinc/23/24/56/1077232456.db2.gz YFLLLUXDNQTIMW-GDBMZVCRSA-N 1 0 422.551 2.671 20 0 HFADRO COc1cc(C)c(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000788624548 1077234153 /nfs/dbraw/zinc/23/41/53/1077234153.db2.gz CXNXSEXFOGZWSJ-OAHLLOKOSA-N 1 0 402.944 2.579 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000788627507 1077235725 /nfs/dbraw/zinc/23/57/25/1077235725.db2.gz YGQXZMQOQBBOLS-QGZVFWFLSA-N 1 0 411.568 2.674 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641155 1077243465 /nfs/dbraw/zinc/24/34/65/1077243465.db2.gz VMZZGLVTYTTWQW-RTBURBONSA-N 1 0 414.506 2.903 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788643162 1077244519 /nfs/dbraw/zinc/24/45/19/1077244519.db2.gz JLOVROOFLIYFQK-AHRSYUTCSA-N 1 0 410.518 2.569 20 0 HFADRO COc1ccc(CCS(=O)(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)cc1 ZINC000788682380 1077249057 /nfs/dbraw/zinc/24/90/57/1077249057.db2.gz LYZBWFWLGNIBKQ-UHFFFAOYSA-N 1 0 406.548 2.640 20 0 HFADRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788681877 1077249271 /nfs/dbraw/zinc/24/92/71/1077249271.db2.gz ZRPLPDUUXMERLH-DOTOQJQBSA-N 1 0 411.568 2.815 20 0 HFADRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788681879 1077249286 /nfs/dbraw/zinc/24/92/86/1077249286.db2.gz ZRPLPDUUXMERLH-RDJZCZTQSA-N 1 0 411.568 2.815 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@@H]1C ZINC000790946886 1077251721 /nfs/dbraw/zinc/25/17/21/1077251721.db2.gz SPFMWGLJFJBLFO-LXGFNABISA-N 1 0 416.566 2.570 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690168 1077251771 /nfs/dbraw/zinc/25/17/71/1077251771.db2.gz WMCWJRNIVCSCNF-YRPNKDGESA-N 1 0 417.550 2.963 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)o1 ZINC000788656182 1077254489 /nfs/dbraw/zinc/25/44/89/1077254489.db2.gz KYLXYOODROIWSO-NVXWUHKLSA-N 1 0 420.510 2.511 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C1CC1 ZINC000790968966 1077258516 /nfs/dbraw/zinc/25/85/16/1077258516.db2.gz QTAVHWRNXIKBSL-LJQANCHMSA-N 1 0 404.507 2.870 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)C1CC1 ZINC000790968963 1077258561 /nfs/dbraw/zinc/25/85/61/1077258561.db2.gz QTAVHWRNXIKBSL-IBGZPJMESA-N 1 0 404.507 2.870 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788667081 1077260136 /nfs/dbraw/zinc/26/01/36/1077260136.db2.gz FLGOMEVEBGMEAU-RDJZCZTQSA-N 1 0 420.554 2.826 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788670286 1077261589 /nfs/dbraw/zinc/26/15/89/1077261589.db2.gz IOUXWLSDMKTDFW-NQYYFHDYSA-N 1 0 406.523 2.509 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)C1CC1 ZINC000788672243 1077262498 /nfs/dbraw/zinc/26/24/98/1077262498.db2.gz PJDYFMRDCLUZJA-KURKYZTESA-N 1 0 415.600 2.568 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000746758253 1077263521 /nfs/dbraw/zinc/26/35/21/1077263521.db2.gz UYDJXAATRVUIRE-YLJYHZDGSA-N 1 0 418.538 2.847 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000788698311 1077275594 /nfs/dbraw/zinc/27/55/94/1077275594.db2.gz ZHMHNUUDEMLHCJ-ZCNNSNEGSA-N 1 0 416.566 2.516 20 0 HFADRO C[C@]1(CNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000791054010 1077284626 /nfs/dbraw/zinc/28/46/26/1077284626.db2.gz BGUIJWNEMCMNND-NZQKXSOJSA-N 1 0 412.555 2.976 20 0 HFADRO CN(c1ccc(NC(=O)CN2CCc3ccccc3C2=O)cc1)C1CC[NH+](C)CC1 ZINC000788741066 1077286461 /nfs/dbraw/zinc/28/64/61/1077286461.db2.gz DORIQMXGEXSJGM-UHFFFAOYSA-N 1 0 406.530 2.854 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000791062264 1077286803 /nfs/dbraw/zinc/28/68/03/1077286803.db2.gz TVNKFSZYZLDLLH-KRWDZBQOSA-N 1 0 413.971 2.585 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2nc(Br)ccc2F)CC1 ZINC000788743688 1077287463 /nfs/dbraw/zinc/28/74/63/1077287463.db2.gz ZWDAWVVHDDHNTN-NSHDSACASA-N 1 0 408.337 2.696 20 0 HFADRO O=C(c1nc(Cl)cs1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000788745409 1077287771 /nfs/dbraw/zinc/28/77/71/1077287771.db2.gz FMZXIEAGLJWKLX-OAHLLOKOSA-N 1 0 405.955 2.866 20 0 HFADRO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC000788800107 1077292075 /nfs/dbraw/zinc/29/20/75/1077292075.db2.gz IVGDUFQTNBFAJX-IBGZPJMESA-N 1 0 414.550 2.630 20 0 HFADRO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788807321 1077293799 /nfs/dbraw/zinc/29/37/99/1077293799.db2.gz UBIZQJZEKSGSLW-IAQYHMDHSA-N 1 0 412.328 2.821 20 0 HFADRO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788816483 1077306505 /nfs/dbraw/zinc/30/65/05/1077306505.db2.gz OUVBMXWBNWKVNV-IBGZPJMESA-N 1 0 417.550 2.890 20 0 HFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788826021 1077311283 /nfs/dbraw/zinc/31/12/83/1077311283.db2.gz NPIINJHAXHEDJD-KNQAVFIVSA-N 1 0 408.546 2.949 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1C(=O)OC(C)(C)C ZINC000791137589 1077317471 /nfs/dbraw/zinc/31/74/71/1077317471.db2.gz RLOYRDXFWPCOHN-MJGOQNOKSA-N 1 0 418.538 2.713 20 0 HFADRO C[NH+](C)CCC(=O)Nc1ccc(NS(=O)(=O)C2=Cc3ccccc3OC2)cc1 ZINC000788842880 1077317604 /nfs/dbraw/zinc/31/76/04/1077317604.db2.gz VDFQXJIWLYPHDD-UHFFFAOYSA-N 1 0 401.488 2.752 20 0 HFADRO Cc1c(C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2cn3ccccc3n2)cnn1C ZINC000788857932 1077321962 /nfs/dbraw/zinc/32/19/62/1077321962.db2.gz YNWXACGSKJRYBV-KRWDZBQOSA-N 1 0 412.538 2.849 20 0 HFADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCC(Oc4ccc(F)nc4)CC3)c2)CC1 ZINC000791170750 1077325919 /nfs/dbraw/zinc/32/59/19/1077325919.db2.gz IRSRHFIYDMEEII-UHFFFAOYSA-N 1 0 412.509 2.652 20 0 HFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1 ZINC000746769349 1077335815 /nfs/dbraw/zinc/33/58/15/1077335815.db2.gz GXENDXSCBLTNLQ-UHFFFAOYSA-N 1 0 411.502 2.666 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc4c(c3)CS(=O)(=O)N4)nc3ccc(C)cc3n12 ZINC001170150218 1077337291 /nfs/dbraw/zinc/33/72/91/1077337291.db2.gz RTDOEIBFCSQTFU-UHFFFAOYSA-N 1 0 422.514 2.851 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc(=O)n(CC4CCC4)n3)nc3ccc(C)cc3n12 ZINC001170150377 1077340035 /nfs/dbraw/zinc/34/00/35/1077340035.db2.gz VMVIARNVBLINKV-UHFFFAOYSA-N 1 0 417.517 2.953 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl)c1ccco1 ZINC000791215543 1077347337 /nfs/dbraw/zinc/34/73/37/1077347337.db2.gz VTZBYLQCWQTMMT-LLVKDONJSA-N 1 0 419.956 2.763 20 0 HFADRO O=C1OCc2c1cccc2S(=O)(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000788915414 1077352713 /nfs/dbraw/zinc/35/27/13/1077352713.db2.gz DAEILPMGCWPZTH-LJQANCHMSA-N 1 0 400.500 2.863 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccc1F ZINC000788915811 1077353901 /nfs/dbraw/zinc/35/39/01/1077353901.db2.gz KYMWUNKAKHLQIM-KUHUBIRLSA-N 1 0 408.495 2.890 20 0 HFADRO Cc1nc(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)nn1-c1ccccc1 ZINC000791293623 1077358392 /nfs/dbraw/zinc/35/83/92/1077358392.db2.gz HUQQVIUBVQNZAI-UHFFFAOYSA-N 1 0 405.502 2.979 20 0 HFADRO O=C(C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)NCc1ccccc1 ZINC000788961181 1077363983 /nfs/dbraw/zinc/36/39/83/1077363983.db2.gz SAPQVQDMEGWVIQ-UHFFFAOYSA-N 1 0 418.335 2.692 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc(OC)cc3)cc2)CC1 ZINC000746995355 1077365234 /nfs/dbraw/zinc/36/52/34/1077365234.db2.gz ZQKRANQJRKYKMU-KRWDZBQOSA-N 1 0 410.518 2.653 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3cnc(N4CCOCC4)s3)C2=O)c(C)c1 ZINC000788973191 1077366944 /nfs/dbraw/zinc/36/69/44/1077366944.db2.gz OIKJUXQOCGRHEA-GOSISDBHSA-N 1 0 400.548 2.800 20 0 HFADRO CC[C@H](C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1)[NH+](CC)CC ZINC000791285996 1077370347 /nfs/dbraw/zinc/37/03/47/1077370347.db2.gz COPPAVAFORVIAJ-OAHLLOKOSA-N 1 0 421.343 2.565 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NC(=O)N3CCN(c4cc[nH+]cc4)CC3)C2=O)c(C)c1 ZINC000788944507 1077373025 /nfs/dbraw/zinc/37/30/25/1077373025.db2.gz QRXNOHNRSJSVQE-HXUWFJFHSA-N 1 0 407.518 2.644 20 0 HFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000788981852 1077373943 /nfs/dbraw/zinc/37/39/43/1077373943.db2.gz PPXSYCGGPUUBMQ-FXAWDEMLSA-N 1 0 415.559 2.976 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000788988081 1077374482 /nfs/dbraw/zinc/37/44/82/1077374482.db2.gz PHJUZEZCMXSAMT-YZGWKJHDSA-N 1 0 409.571 2.689 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC000791343423 1077380256 /nfs/dbraw/zinc/38/02/56/1077380256.db2.gz KZYJLCVZOAHLAU-LJQANCHMSA-N 1 0 417.550 2.842 20 0 HFADRO CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H](O)c1ccccc1 ZINC000789040681 1077391559 /nfs/dbraw/zinc/39/15/59/1077391559.db2.gz VIUKVUDHXFVQHH-YADHBBJMSA-N 1 0 416.610 2.994 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2OCc2ccccc2)CC1 ZINC000746787866 1077418996 /nfs/dbraw/zinc/41/89/96/1077418996.db2.gz KITOCTLTZFNZAD-UHFFFAOYSA-N 1 0 410.518 2.978 20 0 HFADRO CC(C)c1cc(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000747017595 1077434857 /nfs/dbraw/zinc/43/48/57/1077434857.db2.gz KLXRSDXKRWIYPH-KRWDZBQOSA-N 1 0 412.534 2.870 20 0 HFADRO CCOC1CC(CC(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000789152180 1077436551 /nfs/dbraw/zinc/43/65/51/1077436551.db2.gz NZGUNMHMYQMZQS-UHFFFAOYSA-N 1 0 402.535 2.778 20 0 HFADRO Cc1nc(CC2CC2)oc1C(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789153156 1077436890 /nfs/dbraw/zinc/43/68/90/1077436890.db2.gz VVWPHTINRPCPPB-VQIMIIECSA-N 1 0 411.502 2.872 20 0 HFADRO CC(C)[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H](O)c1ccccc1 ZINC000789174578 1077443928 /nfs/dbraw/zinc/44/39/28/1077443928.db2.gz HCNFDFIPKIZNAU-VABKMULXSA-N 1 0 411.546 2.811 20 0 HFADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC(c3cccc(OC)c3)=NO2)CC1 ZINC000791471970 1077444129 /nfs/dbraw/zinc/44/41/29/1077444129.db2.gz CNNOBLRRIPADLI-JOCHJYFZSA-N 1 0 408.502 2.969 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC000791473414 1077445816 /nfs/dbraw/zinc/44/58/16/1077445816.db2.gz UWSUGVALGQMUMB-QFIPXVFZSA-N 1 0 424.501 2.587 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(C[NH+](C)C)ccc3OC)C2)c1 ZINC000791508235 1077448104 /nfs/dbraw/zinc/44/81/04/1077448104.db2.gz ORJNPVXEEGVJIE-OAQYLSRUSA-N 1 0 413.474 2.906 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000789221978 1077448770 /nfs/dbraw/zinc/44/87/70/1077448770.db2.gz JMLOAMDSAVTTQX-NRFANRHFSA-N 1 0 423.513 2.592 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)[NH+](C)C)cc1 ZINC000746792581 1077456252 /nfs/dbraw/zinc/45/62/52/1077456252.db2.gz GPBNYURYXOXRND-FQEVSTJZSA-N 1 0 424.501 2.618 20 0 HFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792368 1077456849 /nfs/dbraw/zinc/45/68/49/1077456849.db2.gz BTOZOMOMHMYKAL-IBGZPJMESA-N 1 0 409.534 2.965 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000789349183 1077512506 /nfs/dbraw/zinc/51/25/06/1077512506.db2.gz OBCSZODIYYOQTG-JYJNAYRXSA-N 1 0 402.580 2.625 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C)o3)C2)c1 ZINC000791636192 1077521170 /nfs/dbraw/zinc/52/11/70/1077521170.db2.gz FFVCSEZLQVKWJU-NRFANRHFSA-N 1 0 415.490 2.689 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000789326525 1077521218 /nfs/dbraw/zinc/52/12/18/1077521218.db2.gz ZPBORHMXEDDVHA-CQSZACIVSA-N 1 0 423.526 2.557 20 0 HFADRO Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746802526 1077526372 /nfs/dbraw/zinc/52/63/72/1077526372.db2.gz CKTSRCOHUPFYCJ-MRXNPFEDSA-N 1 0 413.440 2.712 20 0 HFADRO C[N@H+](CCCCCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000789340945 1077528023 /nfs/dbraw/zinc/52/80/23/1077528023.db2.gz NDIZRRXBYKHDIT-UHFFFAOYSA-N 1 0 413.474 2.701 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)C2)c1 ZINC000791699348 1077532178 /nfs/dbraw/zinc/53/21/78/1077532178.db2.gz GCBGGANKEJNWSC-VVBPWWLESA-N 1 0 415.534 2.966 20 0 HFADRO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000789389524 1077534235 /nfs/dbraw/zinc/53/42/35/1077534235.db2.gz SXXBYGIDKKZIEJ-RTBURBONSA-N 1 0 411.587 2.813 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000791720871 1077539628 /nfs/dbraw/zinc/53/96/28/1077539628.db2.gz XTPREKYTOTVTAX-UHFFFAOYSA-N 1 0 401.551 2.772 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000789367969 1077540757 /nfs/dbraw/zinc/54/07/57/1077540757.db2.gz YHKZMPYAFIKVHQ-QGZVFWFLSA-N 1 0 402.539 2.625 20 0 HFADRO C[C@H](CCNC(=O)C(=O)Nc1ccccc1N1CCOC1=O)[N@H+](C)Cc1ccccc1 ZINC000746811277 1077552507 /nfs/dbraw/zinc/55/25/07/1077552507.db2.gz RBAADLPPVSRGIR-QGZVFWFLSA-N 1 0 424.501 2.609 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791753409 1077552734 /nfs/dbraw/zinc/55/27/34/1077552734.db2.gz VQIHLIROEPJZLF-INIZCTEOSA-N 1 0 418.538 2.683 20 0 HFADRO CN(Cc1nccs1)C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000746811697 1077553959 /nfs/dbraw/zinc/55/39/59/1077553959.db2.gz RHCRNMRFELIEEG-UHFFFAOYSA-N 1 0 415.563 2.518 20 0 HFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000746812546 1077553984 /nfs/dbraw/zinc/55/39/84/1077553984.db2.gz FACXLKVSSKHQFV-UHFFFAOYSA-N 1 0 405.886 2.709 20 0 HFADRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NC[C@H]2CCOC2)cc1 ZINC000789403246 1077561068 /nfs/dbraw/zinc/56/10/68/1077561068.db2.gz LUFRUOGQNNNLNN-OAHLLOKOSA-O 1 0 416.571 2.844 20 0 HFADRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000789406140 1077562311 /nfs/dbraw/zinc/56/23/11/1077562311.db2.gz VWIVJFPFIRDNNR-UHFFFAOYSA-O 1 0 410.479 2.717 20 0 HFADRO CC(C)Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000746806844 1077565060 /nfs/dbraw/zinc/56/50/60/1077565060.db2.gz HVKFSQCIZZZCHD-FQEVSTJZSA-N 1 0 411.550 2.680 20 0 HFADRO Cc1nccn1-c1ccc(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000746808141 1077566130 /nfs/dbraw/zinc/56/61/30/1077566130.db2.gz FWHIICCZDRNCOP-QGZVFWFLSA-N 1 0 420.517 2.541 20 0 HFADRO O=C(CCS(=O)(=O)c1ccc(F)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791819910 1077567185 /nfs/dbraw/zinc/56/71/85/1077567185.db2.gz MHUZXCPOEKWTPQ-SFHVURJKSA-N 1 0 404.507 2.628 20 0 HFADRO CC(C)(C)OC(=O)N1CC(OCCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000791825558 1077574675 /nfs/dbraw/zinc/57/46/75/1077574675.db2.gz BFTZIRWDUVSQPH-LJQANCHMSA-N 1 0 417.550 2.651 20 0 HFADRO CC(=O)[C@H]1CC(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828716 1077576919 /nfs/dbraw/zinc/57/69/19/1077576919.db2.gz OVAKAEZJDAJISY-NFBKMPQASA-N 1 0 404.514 2.849 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000791840223 1077580984 /nfs/dbraw/zinc/58/09/84/1077580984.db2.gz WCYVADPFHVHEMP-FQEVSTJZSA-N 1 0 403.523 2.529 20 0 HFADRO Cc1ccc(CN2CC[C@H](NC(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000791877827 1077595709 /nfs/dbraw/zinc/59/57/09/1077595709.db2.gz HHVSEPUUDZCSKF-OCUNKTDNSA-N 1 0 421.541 2.866 20 0 HFADRO Cc1ccc(CN2CC[C@@H](NC(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000791877826 1077595788 /nfs/dbraw/zinc/59/57/88/1077595788.db2.gz HHVSEPUUDZCSKF-JGDYFIEFSA-N 1 0 421.541 2.866 20 0 HFADRO C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940530 1077600930 /nfs/dbraw/zinc/60/09/30/1077600930.db2.gz UVSBWPCZDYLNLV-YUXAGFNASA-N 1 0 407.514 2.892 20 0 HFADRO CC(C)([NH2+]CC(=O)N1CCC2(CC1)OCCO2)c1ccc(OC(F)(F)F)cc1 ZINC000789514733 1077607189 /nfs/dbraw/zinc/60/71/89/1077607189.db2.gz WDPCSQOIPAOPMW-UHFFFAOYSA-N 1 0 402.413 2.775 20 0 HFADRO C[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789519192 1077613430 /nfs/dbraw/zinc/61/34/30/1077613430.db2.gz XOSQMLNUHLCPHT-PZJWPPBQSA-N 1 0 402.922 2.950 20 0 HFADRO O=c1oc2cc(I)ccc2n1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000789538364 1077633455 /nfs/dbraw/zinc/63/34/55/1077633455.db2.gz AGBRTCMJUJSHBF-MRXNPFEDSA-N 1 0 414.243 2.659 20 0 HFADRO CC(C)=CC(=O)NCc1ccc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000791967004 1077639109 /nfs/dbraw/zinc/63/91/09/1077639109.db2.gz WIEPIWQFZYWMMT-UHFFFAOYSA-N 1 0 401.551 2.842 20 0 HFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000792057182 1077664213 /nfs/dbraw/zinc/66/42/13/1077664213.db2.gz IKBAAYGEIACCEW-QHCPKHFHSA-N 1 0 422.529 2.964 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000746828200 1077666450 /nfs/dbraw/zinc/66/64/50/1077666450.db2.gz LJCUZVMEIJUYRX-KRWDZBQOSA-N 1 0 404.555 2.876 20 0 HFADRO Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000789590802 1077673057 /nfs/dbraw/zinc/67/30/57/1077673057.db2.gz ZKLMLRXWXQBBRT-UHFFFAOYSA-N 1 0 405.502 2.839 20 0 HFADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1 ZINC000789560161 1077678036 /nfs/dbraw/zinc/67/80/36/1077678036.db2.gz HEYLHLMJRXVNBY-IBGZPJMESA-N 1 0 407.449 2.707 20 0 HFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000789560344 1077678048 /nfs/dbraw/zinc/67/80/48/1077678048.db2.gz JCYRFQJFZFQVIB-SFHVURJKSA-N 1 0 409.877 2.913 20 0 HFADRO CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1 ZINC000789561250 1077679352 /nfs/dbraw/zinc/67/93/52/1077679352.db2.gz QUEWXDCILNMHEK-OAQYLSRUSA-N 1 0 417.513 2.881 20 0 HFADRO CC[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@@H](O)c1ccccc1 ZINC000789601425 1077704867 /nfs/dbraw/zinc/70/48/67/1077704867.db2.gz OEVIWGMZTJANMM-SXLOBPIMSA-N 1 0 411.502 2.639 20 0 HFADRO COCC[N@@H+]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792082848 1077707166 /nfs/dbraw/zinc/70/71/66/1077707166.db2.gz HIHXGHPWQDPESK-IBGZPJMESA-N 1 0 423.529 2.615 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000792150393 1077723611 /nfs/dbraw/zinc/72/36/11/1077723611.db2.gz HQYVAHMKWSPXAF-MOPGFXCFSA-N 1 0 411.587 2.981 20 0 HFADRO CC(C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000789692575 1077730854 /nfs/dbraw/zinc/73/08/54/1077730854.db2.gz AHSGZHTVBBSNHD-ZCNNSNEGSA-N 1 0 421.969 2.913 20 0 HFADRO COC1(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC000792167012 1077732702 /nfs/dbraw/zinc/73/27/02/1077732702.db2.gz JZHBBCQMPJECQH-GOSISDBHSA-N 1 0 409.571 2.737 20 0 HFADRO COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792177659 1077735507 /nfs/dbraw/zinc/73/55/07/1077735507.db2.gz FYORQHOVKXGHTI-FYZZASKESA-N 1 0 414.550 2.627 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)C2)c1 ZINC000792199294 1077742759 /nfs/dbraw/zinc/74/27/59/1077742759.db2.gz KKRDXRDEKJWIIQ-IIBYNOLFSA-N 1 0 401.507 2.531 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792225214 1077751204 /nfs/dbraw/zinc/75/12/04/1077751204.db2.gz JHBYZNBCOSBLRF-RBUKOAKNSA-N 1 0 402.539 2.817 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000792250645 1077771379 /nfs/dbraw/zinc/77/13/79/1077771379.db2.gz KQCPCPJWDSLQLC-PKOBYXMFSA-N 1 0 419.570 2.991 20 0 HFADRO Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3OCC[NH+](C)C)CC2=O)cc1F ZINC000746855636 1077776265 /nfs/dbraw/zinc/77/62/65/1077776265.db2.gz QXFVFXHYDMUWAG-SFHVURJKSA-N 1 0 413.493 2.744 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCC(O)(c4ccccc4)CC3)cccc21 ZINC000789745837 1077778967 /nfs/dbraw/zinc/77/89/67/1077778967.db2.gz HFAOYCUFAQANDR-FQEVSTJZSA-N 1 0 423.513 2.521 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1C ZINC000789746653 1077780051 /nfs/dbraw/zinc/78/00/51/1077780051.db2.gz OHJJZFKKYCHDDR-IBGZPJMESA-N 1 0 410.474 2.916 20 0 HFADRO CCC[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792255293 1077781734 /nfs/dbraw/zinc/78/17/34/1077781734.db2.gz POVQECCHIRYQRF-CEXWTWQISA-N 1 0 404.551 2.744 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)c1 ZINC000792256130 1077782659 /nfs/dbraw/zinc/78/26/59/1077782659.db2.gz QUDLRVLZQYBYSH-QPJICYPMSA-N 1 0 413.518 2.672 20 0 HFADRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC000792257370 1077783321 /nfs/dbraw/zinc/78/33/21/1077783321.db2.gz KQKZAAYZQUMERW-AWEZNQCLSA-N 1 0 414.497 2.951 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)C2)c1 ZINC000792272375 1077788645 /nfs/dbraw/zinc/78/86/45/1077788645.db2.gz MPUYVUDKLKNXKM-AOMKIAJQSA-N 1 0 408.502 2.925 20 0 HFADRO C[NH+]1CCN(c2cc(-c3nc(C(C)(C)NC(=O)OC(C)(C)C)no3)ccn2)CC1 ZINC000789784763 1077794305 /nfs/dbraw/zinc/79/43/05/1077794305.db2.gz DQJWPLMZQLUXSP-UHFFFAOYSA-N 1 0 402.499 2.643 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC(F)(c3ccccc3)CC2)CC1 ZINC000789785881 1077795117 /nfs/dbraw/zinc/79/51/17/1077795117.db2.gz TWKSERAGXMZOKK-UHFFFAOYSA-N 1 0 424.520 2.864 20 0 HFADRO C[NH+]1CCN(C[C@@H](NC(=O)c2nc(Br)cs2)c2ccccc2)CC1 ZINC000792312029 1077801571 /nfs/dbraw/zinc/80/15/71/1077801571.db2.gz CEPHFOHWNAHKTO-CQSZACIVSA-N 1 0 409.353 2.624 20 0 HFADRO CC(C)CNC(=O)NC(=O)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792326081 1077807695 /nfs/dbraw/zinc/80/76/95/1077807695.db2.gz GZQXPNGTOLZMBI-UHFFFAOYSA-N 1 0 410.559 2.581 20 0 HFADRO CC1(C)CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C1 ZINC000789810778 1077821358 /nfs/dbraw/zinc/82/13/58/1077821358.db2.gz ZRFPVPLSIMRGKK-UHFFFAOYSA-N 1 0 400.523 2.698 20 0 HFADRO COc1ccc(COC[C@H](O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1OC ZINC000792388314 1077831368 /nfs/dbraw/zinc/83/13/68/1077831368.db2.gz DBDZKJVQPTXUQD-QGZVFWFLSA-N 1 0 420.481 2.659 20 0 HFADRO CN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789883564 1077834728 /nfs/dbraw/zinc/83/47/28/1077834728.db2.gz AFXJKRIWKZIRHT-VXKWHMMOSA-N 1 0 406.530 2.553 20 0 HFADRO O=C(Nc1ccc(Cl)nc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792398808 1077834850 /nfs/dbraw/zinc/83/48/50/1077834850.db2.gz QEFZHHBIADEWMO-UHFFFAOYSA-N 1 0 404.820 2.595 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)C(F)F)cc2Cl)CC1 ZINC000792403213 1077837527 /nfs/dbraw/zinc/83/75/27/1077837527.db2.gz IFISFIRJWFTAOG-UHFFFAOYSA-N 1 0 416.900 2.970 20 0 HFADRO COc1cc(Cl)ccc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792403375 1077837573 /nfs/dbraw/zinc/83/75/73/1077837573.db2.gz ASEFYNPUIZZRLT-CALCHBBNSA-N 1 0 413.905 2.878 20 0 HFADRO CCOC(OCC)c1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC001170166482 1077849452 /nfs/dbraw/zinc/84/94/52/1077849452.db2.gz LOWPGJSFLAMQCN-UHFFFAOYSA-N 1 0 414.510 2.725 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nc(Br)cs1 ZINC000792424251 1077850814 /nfs/dbraw/zinc/85/08/14/1077850814.db2.gz MXJCDHWSNXVQQC-UONOGXRCSA-N 1 0 410.337 2.518 20 0 HFADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1N1CCSCC1 ZINC000792465218 1077859129 /nfs/dbraw/zinc/85/91/29/1077859129.db2.gz LZMLMFKVUXPJPL-UHFFFAOYSA-N 1 0 418.607 2.725 20 0 HFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc(Br)cs1 ZINC000792465155 1077859293 /nfs/dbraw/zinc/85/92/93/1077859293.db2.gz KKWPEMNAQQNHHD-KRWDZBQOSA-N 1 0 410.337 2.615 20 0 HFADRO COC(=O)c1ncc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc1C(F)(F)F ZINC001170167273 1077876761 /nfs/dbraw/zinc/87/67/61/1077876761.db2.gz YHPMUNQJUOPGDQ-UHFFFAOYSA-N 1 0 423.395 2.755 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH2+][C@H]2CCO[C@@H](CC)C2)C1 ZINC001170169944 1077894293 /nfs/dbraw/zinc/89/42/93/1077894293.db2.gz IROCOWUXZHCWST-GLOJMNGXSA-N 1 0 424.582 2.874 20 0 HFADRO C[N@H+](CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)Cc1ccccc1 ZINC000790031133 1077903560 /nfs/dbraw/zinc/90/35/60/1077903560.db2.gz DWONOLSOLDWMJV-UHFFFAOYSA-N 1 0 422.573 2.584 20 0 HFADRO CC(=O)Nc1cc(C(F)(F)F)c(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cn1 ZINC001170171195 1077904934 /nfs/dbraw/zinc/90/49/34/1077904934.db2.gz XCKBAWKWZJRZIW-UHFFFAOYSA-N 1 0 422.411 2.927 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)CCO1 ZINC001170213163 1077908338 /nfs/dbraw/zinc/90/83/38/1077908338.db2.gz HHBZYVGBKBZINT-QZTJIDSGSA-N 1 0 408.564 2.739 20 0 HFADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746871002 1077913830 /nfs/dbraw/zinc/91/38/30/1077913830.db2.gz KSHKREFKYNCVIE-UHFFFAOYSA-N 1 0 413.566 2.724 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227967 1077917806 /nfs/dbraw/zinc/91/78/06/1077917806.db2.gz RAUZTBHXOIVDEF-RTBURBONSA-N 1 0 403.548 2.889 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[NH2+]CCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001170257357 1077919913 /nfs/dbraw/zinc/91/99/13/1077919913.db2.gz ZDWLLTWLEUBOPJ-SFHVURJKSA-N 1 0 421.994 2.867 20 0 HFADRO C[NH+]1CCN(c2cc(C(=O)N3CCCC[C@H]3C(=O)OCc3ccccc3)ccn2)CC1 ZINC000792598611 1077920592 /nfs/dbraw/zinc/92/05/92/1077920592.db2.gz HOLORELCQNPLFL-NRFANRHFSA-N 1 0 422.529 2.572 20 0 HFADRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2cncc(N)c2)cc1 ZINC001170268590 1077922889 /nfs/dbraw/zinc/92/28/89/1077922889.db2.gz VANSMZDEEXQCBJ-UHFFFAOYSA-N 1 0 413.478 2.943 20 0 HFADRO COC(=O)c1ccc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])nc1-c1ccc(F)cc1 ZINC001170272318 1077925546 /nfs/dbraw/zinc/92/55/46/1077925546.db2.gz ICQGPAMZGDVAHD-CBGDNZLLSA-N 1 0 403.454 2.811 20 0 HFADRO CCS(=O)(=O)N([C@H](C)Cc1ccccc1Cl)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001170272358 1077925586 /nfs/dbraw/zinc/92/55/86/1077925586.db2.gz GRZUCSRAQVFLNH-HYEGPXJVSA-N 1 0 400.972 2.690 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000790051268 1077931156 /nfs/dbraw/zinc/93/11/56/1077931156.db2.gz DETRTSXWAFPJMC-UGKGYDQZSA-N 1 0 414.594 2.667 20 0 HFADRO O=C(N1C[C@H]2CC[N@@H+](C[C@H](O)c3ccc(Br)cc3)C[C@@H]2C1)C(F)(F)F ZINC001170280409 1077936111 /nfs/dbraw/zinc/93/61/11/1077936111.db2.gz DWSKETUBKHPCGV-NFAWXSAZSA-N 1 0 421.257 2.825 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001170285699 1077937591 /nfs/dbraw/zinc/93/75/91/1077937591.db2.gz UMAAOSXJDMTRSW-ZWQIFLOQSA-N 1 0 402.926 2.666 20 0 HFADRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)Cc1ccccc1 ZINC000790114249 1077942212 /nfs/dbraw/zinc/94/22/12/1077942212.db2.gz NXHHMTFOAZOESP-GOSISDBHSA-N 1 0 400.498 2.946 20 0 HFADRO COC(=O)Nc1ccc(CNC(=O)CN2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001170333820 1077946128 /nfs/dbraw/zinc/94/61/28/1077946128.db2.gz SLZJRLYCSHFJES-IBGZPJMESA-N 1 0 424.545 2.935 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[N@@H+]2CC[C@@H](O)C23CCCC3)C1 ZINC001206047599 1077948555 /nfs/dbraw/zinc/94/85/55/1077948555.db2.gz JSLMHLVYOMDSOB-SJLPKXTDSA-N 1 0 405.543 2.730 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000790136046 1077954108 /nfs/dbraw/zinc/95/41/08/1077954108.db2.gz WYXSFBVLJUKHEN-JOCHJYFZSA-N 1 0 411.550 2.775 20 0 HFADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC001170384956 1077956791 /nfs/dbraw/zinc/95/67/91/1077956791.db2.gz DWFONVOMGISBAI-ZWKOTPCHSA-N 1 0 414.506 2.509 20 0 HFADRO COc1ccc([C@H](CNC(=O)[C@H]2CC(c3cccnc3)=NO2)[NH+]2CCCCC2)cc1 ZINC000790125508 1077959309 /nfs/dbraw/zinc/95/93/09/1077959309.db2.gz UXGUSQASHCYQLA-FCHUYYIVSA-N 1 0 408.502 2.927 20 0 HFADRO [NH3+][C@H]1CCCN(c2cc(NCC(=O)NCc3ccco3)nc(Oc3ccccc3)n2)C1 ZINC001170380344 1077963600 /nfs/dbraw/zinc/96/36/00/1077963600.db2.gz QHPNIBANSXYDJW-INIZCTEOSA-N 1 0 422.489 2.518 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(-n3ccnc3C)nc2)c1 ZINC000790186635 1077966370 /nfs/dbraw/zinc/96/63/70/1077966370.db2.gz RFFGBSOIKNUVKH-UHFFFAOYSA-N 1 0 422.533 2.858 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000790187451 1077966752 /nfs/dbraw/zinc/96/67/52/1077966752.db2.gz BCTCQDDGPBZFCG-KNQAVFIVSA-N 1 0 411.550 2.633 20 0 HFADRO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000792712752 1077972290 /nfs/dbraw/zinc/97/22/90/1077972290.db2.gz RDAFFVXUUPBOSJ-INIZCTEOSA-N 1 0 409.577 2.701 20 0 HFADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000790239821 1077974271 /nfs/dbraw/zinc/97/42/71/1077974271.db2.gz WPAZHOGXSSXTIM-PBHICJAKSA-N 1 0 407.511 2.940 20 0 HFADRO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000790239824 1077974305 /nfs/dbraw/zinc/97/43/05/1077974305.db2.gz WPAZHOGXSSXTIM-WMLDXEAASA-N 1 0 407.511 2.940 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792747390 1077983297 /nfs/dbraw/zinc/98/32/97/1077983297.db2.gz QBWNHZWZEOHELA-MRXNPFEDSA-N 1 0 408.486 2.825 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1nc(Br)ccc1Br ZINC000790318977 1077995759 /nfs/dbraw/zinc/99/57/59/1077995759.db2.gz OIEROZCTIXKPLS-GHMZBOCLSA-N 1 0 403.118 2.963 20 0 HFADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790318679 1077995957 /nfs/dbraw/zinc/99/59/57/1077995957.db2.gz NZWABAKZDBMWFL-CDNPAEQRSA-N 1 0 414.594 2.702 20 0 HFADRO CN(CCOc1ccc(Br)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790360025 1078003752 /nfs/dbraw/zinc/00/37/52/1078003752.db2.gz BTPVVJVZKIXTPI-IBGZPJMESA-N 1 0 424.339 2.634 20 0 HFADRO CCc1ccc([C@@H]2CN(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CCO2)cc1 ZINC000790363670 1078005097 /nfs/dbraw/zinc/00/50/97/1078005097.db2.gz ZACTUKZMDRRZKI-VXKWHMMOSA-N 1 0 401.551 2.975 20 0 HFADRO CC(C)Oc1ncccc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792831246 1078007550 /nfs/dbraw/zinc/00/75/50/1078007550.db2.gz AZVYNZIPCJWDBP-PKOBYXMFSA-N 1 0 411.502 2.805 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(C(N)=O)CCN(Cc2ccccc2)CC1 ZINC001170421912 1078009301 /nfs/dbraw/zinc/00/93/01/1078009301.db2.gz SPNSQJAWWGDWSX-FQEVSTJZSA-N 1 0 409.530 2.846 20 0 HFADRO O=C(NC[C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792861122 1078010347 /nfs/dbraw/zinc/01/03/47/1078010347.db2.gz XVTJWZYRJTUIIU-WOJBJXKFSA-N 1 0 414.550 2.819 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792863921 1078011100 /nfs/dbraw/zinc/01/11/00/1078011100.db2.gz VVFTXGADTQURSW-REWPJTCUSA-N 1 0 417.550 2.508 20 0 HFADRO O=C(c1ccc(F)cc1)C1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790385611 1078011460 /nfs/dbraw/zinc/01/14/60/1078011460.db2.gz JZYXXVVCRNZXJU-JOCHJYFZSA-N 1 0 401.482 2.595 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000792869741 1078011953 /nfs/dbraw/zinc/01/19/53/1078011953.db2.gz BQBNUWYJEUHYBJ-UHFFFAOYSA-N 1 0 404.552 2.549 20 0 HFADRO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790387570 1078012079 /nfs/dbraw/zinc/01/20/79/1078012079.db2.gz QRAIULQXXFLNET-XMSQKQJNSA-N 1 0 422.570 2.582 20 0 HFADRO CN(Cc1ccc(Br)c(F)c1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790389067 1078012239 /nfs/dbraw/zinc/01/22/39/1078012239.db2.gz PBBKDXBJELYLTQ-GOSISDBHSA-N 1 0 412.303 2.894 20 0 HFADRO COc1ccc(Br)c(CN(C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790392102 1078013515 /nfs/dbraw/zinc/01/35/15/1078013515.db2.gz XJPWPKJZJZMAQL-LJQANCHMSA-N 1 0 424.339 2.764 20 0 HFADRO Cc1ccc(CCN(C[C@H]2CCCO2)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365949 1078014946 /nfs/dbraw/zinc/01/49/46/1078014946.db2.gz IVWUKOJYYCKBGM-VWNXMTODSA-N 1 0 413.562 2.893 20 0 HFADRO O=C1O[C@@]2(CN1CN(Cc1cccc(F)c1)C[C@H]1CCCO1)C[NH+]1CCC2CC1 ZINC000790367218 1078015728 /nfs/dbraw/zinc/01/57/28/1078015728.db2.gz HONGBRXHJSYXRG-IFMALSPDSA-N 1 0 403.498 2.681 20 0 HFADRO COCC[N@@H+]1CC[C@H](NC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000790373667 1078017535 /nfs/dbraw/zinc/01/75/35/1078017535.db2.gz GKUYTXWTGCYBQA-SFHVURJKSA-N 1 0 424.586 2.530 20 0 HFADRO CC[N@H+](CCNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1CC1 ZINC000792911044 1078023671 /nfs/dbraw/zinc/02/36/71/1078023671.db2.gz GFMMVROMNBEFFB-LJQANCHMSA-N 1 0 402.539 2.819 20 0 HFADRO C[C@@H]1C[NH+](CCCNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000792914673 1078024394 /nfs/dbraw/zinc/02/43/94/1078024394.db2.gz SDQNTEXRLBHTDZ-PWHSHALESA-N 1 0 417.550 2.651 20 0 HFADRO CCOC(=O)C1C(C[NH+]2CCC3(CCOCC3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000792933268 1078028448 /nfs/dbraw/zinc/02/84/48/1078028448.db2.gz JUDKSFMDIKOAKO-HXUWFJFHSA-N 1 0 413.518 2.750 20 0 HFADRO Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000792977679 1078030850 /nfs/dbraw/zinc/03/08/50/1078030850.db2.gz LKRFUOKWWRIMIO-FQEVSTJZSA-N 1 0 419.566 2.599 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+](C[C@H](C)C(=O)OC)C3CC3)c2ccc1Br ZINC000790440694 1078032260 /nfs/dbraw/zinc/03/22/60/1078032260.db2.gz VIYVJSRZGCQQNF-NSHDSACASA-N 1 0 424.295 2.816 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2ccc1Br ZINC000790442653 1078033123 /nfs/dbraw/zinc/03/31/23/1078033123.db2.gz OGSNOJVGLNUHAF-CJNGLKHVSA-N 1 0 421.339 2.959 20 0 HFADRO COC(=O)c1c2cnn(CN3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2ccc1Br ZINC000790443659 1078033372 /nfs/dbraw/zinc/03/33/72/1078033372.db2.gz ZYSKRBMLKFATML-CZUORRHYSA-N 1 0 421.339 2.959 20 0 HFADRO COC(=O)c1c2cnn(CN3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2ccc1Br ZINC000790443660 1078033520 /nfs/dbraw/zinc/03/35/20/1078033520.db2.gz ZYSKRBMLKFATML-XJKSGUPXSA-N 1 0 421.339 2.959 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000792960184 1078036403 /nfs/dbraw/zinc/03/64/03/1078036403.db2.gz QNBQSJYTBUTGGK-QGZVFWFLSA-N 1 0 400.523 2.726 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cn1 ZINC000790468688 1078038448 /nfs/dbraw/zinc/03/84/48/1078038448.db2.gz RUKQVRPMALDKRC-GCJKJVERSA-N 1 0 411.550 2.799 20 0 HFADRO Cc1nn(C)c(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1Br ZINC000790473167 1078039317 /nfs/dbraw/zinc/03/93/17/1078039317.db2.gz NLXGLEZCVYUJAZ-CYBMUJFWSA-N 1 0 416.703 2.739 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)nc1Br ZINC000792984248 1078040583 /nfs/dbraw/zinc/04/05/83/1078040583.db2.gz KEQPJVVIFVISKA-UHFFFAOYSA-N 1 0 423.286 2.608 20 0 HFADRO C[NH+]1CCC(CCNC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792985223 1078040740 /nfs/dbraw/zinc/04/07/40/1078040740.db2.gz XNHWMWXELDHVLV-QFIPXVFZSA-N 1 0 402.539 2.819 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792984997 1078040887 /nfs/dbraw/zinc/04/08/87/1078040887.db2.gz MCPGOEWMJMCYQC-RBUKOAKNSA-N 1 0 400.523 2.571 20 0 HFADRO O=C1c2ccc(Br)cc2N(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772825616 1078042411 /nfs/dbraw/zinc/04/24/11/1078042411.db2.gz CMZTYYFUBRBWBT-GUYCJALGSA-N 1 0 418.335 2.885 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000806254096 1079522780 /nfs/dbraw/zinc/52/27/80/1079522780.db2.gz QYRUCZSTROFSBX-KURKYZTESA-N 1 0 407.580 2.543 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000806301518 1079554201 /nfs/dbraw/zinc/55/42/01/1079554201.db2.gz YJTBXZNEQSZKGV-FQEVSTJZSA-N 1 0 415.582 2.871 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000806306752 1079557857 /nfs/dbraw/zinc/55/78/57/1079557857.db2.gz HFKARPNIGBSZLN-QZTJIDSGSA-N 1 0 420.558 2.700 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 ZINC000806307469 1079559628 /nfs/dbraw/zinc/55/96/28/1079559628.db2.gz PXIUKQVFCAWROC-NRFANRHFSA-N 1 0 420.558 2.700 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000806307344 1079560200 /nfs/dbraw/zinc/56/02/00/1079560200.db2.gz CEWSIOSAMSWHCU-ICSRJNTNSA-N 1 0 420.554 2.950 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000806292578 1079580636 /nfs/dbraw/zinc/58/06/36/1079580636.db2.gz FHXKHWUFQDNUGT-QUCCMNQESA-N 1 0 418.538 2.752 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000806294184 1079581215 /nfs/dbraw/zinc/58/12/15/1079581215.db2.gz BWQCSPSBZUFDPK-KSSFIOAISA-N 1 0 417.428 2.944 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000806297474 1079587056 /nfs/dbraw/zinc/58/70/56/1079587056.db2.gz OCPTXHOARVWBCD-UXHICEINSA-N 1 0 415.582 2.871 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CCCCCC1 ZINC000806319985 1079590825 /nfs/dbraw/zinc/59/08/25/1079590825.db2.gz WSIMLGGSTPMNTA-RBUKOAKNSA-N 1 0 424.586 2.720 20 0 HFADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747324658 1079592944 /nfs/dbraw/zinc/59/29/44/1079592944.db2.gz CTNUNOQEFICEAY-RTBURBONSA-N 1 0 402.926 2.664 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)(C)C ZINC000806321357 1079593613 /nfs/dbraw/zinc/59/36/13/1079593613.db2.gz UGVJVYRINHDVEF-UFYCRDLUSA-N 1 0 409.615 2.982 20 0 HFADRO CCCCC[C@@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C(C)(C)C ZINC000806322492 1079594646 /nfs/dbraw/zinc/59/46/46/1079594646.db2.gz WZXXGMASMNKWAB-WOJBJXKFSA-N 1 0 408.631 2.726 20 0 HFADRO Cc1cc(NC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000806333466 1079605026 /nfs/dbraw/zinc/60/50/26/1079605026.db2.gz JQFMBKXCKODRIA-QGZVFWFLSA-N 1 0 406.531 2.543 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000806335038 1079606910 /nfs/dbraw/zinc/60/69/10/1079606910.db2.gz ZCGAKDWCAACFGU-IBGZPJMESA-N 1 0 413.440 2.919 20 0 HFADRO CCCCC[N@H+](CCNC(=O)c1cnc2c(c1)NC(=O)CN2C)Cc1ccccc1 ZINC001130595296 1079608280 /nfs/dbraw/zinc/60/82/80/1079608280.db2.gz RRYTYQURTAGZOA-UHFFFAOYSA-N 1 0 409.534 2.892 20 0 HFADRO C[C@]1(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001130609279 1079628237 /nfs/dbraw/zinc/62/82/37/1079628237.db2.gz DZGXAXCJPNVNKF-DEOSSOPVSA-N 1 0 405.498 2.730 20 0 HFADRO C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613976 1079641671 /nfs/dbraw/zinc/64/16/71/1079641671.db2.gz NZMUACPKKBASQB-JTSKRJEESA-N 1 0 400.544 2.974 20 0 HFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)C(C)(C)C ZINC000806391519 1079643173 /nfs/dbraw/zinc/64/31/73/1079643173.db2.gz XISCGWCMTICBKB-UXHICEINSA-N 1 0 421.557 2.580 20 0 HFADRO COc1cc2nc(-c3ccccc3)nc(NCCOCCOCC[NH3+])c2cc1OC ZINC001170507273 1079655181 /nfs/dbraw/zinc/65/51/81/1079655181.db2.gz GBBKDHXWSLUKSX-UHFFFAOYSA-N 1 0 412.490 2.718 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000806371529 1079659766 /nfs/dbraw/zinc/65/97/66/1079659766.db2.gz KNGIGXYMVBLXBN-HXUWFJFHSA-N 1 0 417.554 2.746 20 0 HFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806413103 1079660958 /nfs/dbraw/zinc/66/09/58/1079660958.db2.gz XZMJEYDWLBAHQG-UHFFFAOYSA-N 1 0 402.539 2.912 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806423762 1079668392 /nfs/dbraw/zinc/66/83/92/1079668392.db2.gz DHXWUXXXTLWRCJ-GOTSBHOMSA-N 1 0 423.557 2.658 20 0 HFADRO O=C(c1cc(Br)ncc1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000806434717 1079682155 /nfs/dbraw/zinc/68/21/55/1079682155.db2.gz SNICBKDEYLBNNN-LBPRGKRZSA-N 1 0 402.720 2.824 20 0 HFADRO C[C@]1(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806434582 1079682579 /nfs/dbraw/zinc/68/25/79/1079682579.db2.gz OXMIXIMPINRTEN-IIBYNOLFSA-N 1 0 405.926 2.936 20 0 HFADRO CC[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC000806397782 1079685785 /nfs/dbraw/zinc/68/57/85/1079685785.db2.gz QHVSKWUWYRTQGL-WOJBJXKFSA-N 1 0 402.539 2.743 20 0 HFADRO CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cn(C)cn1 ZINC001130630811 1079710935 /nfs/dbraw/zinc/71/09/35/1079710935.db2.gz WMVAJHGQFAXAAF-GWIHDIDNSA-N 1 0 400.567 2.866 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000806462728 1079735243 /nfs/dbraw/zinc/73/52/43/1079735243.db2.gz KSVJCAKLWPFZKW-FQEVSTJZSA-N 1 0 417.554 2.746 20 0 HFADRO COc1cc(CCNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000806466363 1079736916 /nfs/dbraw/zinc/73/69/16/1079736916.db2.gz XTHKQHUVTYZAGM-RUZDIDTESA-N 1 0 423.557 2.691 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccnc1-2 ZINC000806491374 1079741452 /nfs/dbraw/zinc/74/14/52/1079741452.db2.gz IZFVZJAVBYTSMK-RXVVDRJESA-N 1 0 404.518 2.860 20 0 HFADRO O=C(OCc1ccccc1)N1CCCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000747333221 1079743599 /nfs/dbraw/zinc/74/35/99/1079743599.db2.gz YNQSWUTYYLRPGY-NRFANRHFSA-N 1 0 415.534 2.501 20 0 HFADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000806502130 1079752443 /nfs/dbraw/zinc/75/24/43/1079752443.db2.gz JUPZUWGRWGAWQZ-DOIPELPJSA-N 1 0 401.551 2.602 20 0 HFADRO CS[C@@H]1CN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C[C@@H]1[NH+](C)C ZINC000772847544 1079781937 /nfs/dbraw/zinc/78/19/37/1079781937.db2.gz TXAMPWSCOADFMG-ZWKOTPCHSA-N 1 0 419.591 2.553 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2nc(Cc3ccccc3)no2)cc1 ZINC000806547045 1079785659 /nfs/dbraw/zinc/78/56/59/1079785659.db2.gz COUFKTITGVBAOX-LJQANCHMSA-N 1 0 409.490 2.771 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)C1 ZINC000806512957 1079788907 /nfs/dbraw/zinc/78/89/07/1079788907.db2.gz YKIMGFHTKQCDQN-GUDVDZBRSA-N 1 0 424.586 2.576 20 0 HFADRO C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc[nH]1 ZINC000806528052 1079801361 /nfs/dbraw/zinc/80/13/61/1079801361.db2.gz VDWKKRIDECVFLK-WPKBUWHJSA-N 1 0 406.889 2.794 20 0 HFADRO O=C(N1CC[C@@H]2NC(=O)CC[C@@H]2C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001130690244 1079851380 /nfs/dbraw/zinc/85/13/80/1079851380.db2.gz KPXRPGILOAGOSC-FUHIMQAGSA-N 1 0 409.452 2.568 20 0 HFADRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nccn1-c1ccccc1 ZINC000806615689 1079856781 /nfs/dbraw/zinc/85/67/81/1079856781.db2.gz RSXMBAOHVZLHGN-ZDUSSCGKSA-N 1 0 402.442 2.837 20 0 HFADRO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000806659617 1079877030 /nfs/dbraw/zinc/87/70/30/1079877030.db2.gz AWNWXFAYIJYGNX-ZCVJKFOLSA-N 1 0 411.546 2.876 20 0 HFADRO COCCNC(=O)c1cccc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000806628724 1079886423 /nfs/dbraw/zinc/88/64/23/1079886423.db2.gz LHCBNDBDXSZCNM-UHFFFAOYSA-N 1 0 402.539 2.981 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000806639444 1079896089 /nfs/dbraw/zinc/89/60/89/1079896089.db2.gz OBHPLLAVLYTYES-IAGOWNOFSA-N 1 0 408.568 2.880 20 0 HFADRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000747344138 1079906966 /nfs/dbraw/zinc/90/69/66/1079906966.db2.gz UYKDSDBGTRLMFQ-IAGOWNOFSA-N 1 0 411.550 2.965 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1=O ZINC001130707556 1079927607 /nfs/dbraw/zinc/92/76/07/1079927607.db2.gz YJMFKLRSJFIXRF-NRFANRHFSA-N 1 0 415.534 2.892 20 0 HFADRO CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000806741399 1079940554 /nfs/dbraw/zinc/94/05/54/1079940554.db2.gz IYMSSOCOUKTAHZ-IBGZPJMESA-N 1 0 424.586 2.674 20 0 HFADRO CC(C)C(=O)Nc1cc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC001130733711 1079973042 /nfs/dbraw/zinc/97/30/42/1079973042.db2.gz WZWXWPGNNNCMDM-SFTDATJTSA-N 1 0 422.529 2.792 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000806759300 1079977462 /nfs/dbraw/zinc/97/74/62/1079977462.db2.gz XHVFUNOCBMEHPH-QGZVFWFLSA-N 1 0 412.575 2.528 20 0 HFADRO COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC001130740365 1079993823 /nfs/dbraw/zinc/99/38/23/1079993823.db2.gz LHQIFOZPDKBTME-IBGZPJMESA-N 1 0 411.502 2.659 20 0 HFADRO Cc1c(Cl)c(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)nn1C ZINC001130741652 1080004620 /nfs/dbraw/zinc/00/46/20/1080004620.db2.gz APZPWHQXRQWWQX-UHFFFAOYSA-N 1 0 405.930 2.651 20 0 HFADRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000806790198 1080011328 /nfs/dbraw/zinc/01/13/28/1080011328.db2.gz SMRKARQKVGMSHJ-AZUAARDMSA-N 1 0 403.954 2.837 20 0 HFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801786 1080018069 /nfs/dbraw/zinc/01/80/69/1080018069.db2.gz CLTLCDLGBRNJCS-SNVBAGLBSA-N 1 0 424.265 2.620 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000806812427 1080025238 /nfs/dbraw/zinc/02/52/38/1080025238.db2.gz JOKPQXFBHMZZRE-PKOBYXMFSA-N 1 0 420.554 2.997 20 0 HFADRO CN(Cc1nc(-c2cccs2)no1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806815070 1080027885 /nfs/dbraw/zinc/02/78/85/1080027885.db2.gz ZLYZJDIMMVMCMG-OAHLLOKOSA-N 1 0 405.524 2.583 20 0 HFADRO CN1CC[NH+](CCCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747359900 1080030522 /nfs/dbraw/zinc/03/05/22/1080030522.db2.gz WTXYJSPZRZUSQQ-UHFFFAOYSA-N 1 0 406.621 2.780 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)NC3CC[NH+](Cc4ccncc4)CC3)ccc2c1 ZINC000806851495 1080036369 /nfs/dbraw/zinc/03/63/69/1080036369.db2.gz RDLATESKVOVFMG-UHFFFAOYSA-N 1 0 418.497 2.963 20 0 HFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21)[NH+]1CCCCC1 ZINC000806857244 1080061856 /nfs/dbraw/zinc/06/18/56/1080061856.db2.gz OLYBHSAVLRYPJQ-ZDUSSCGKSA-N 1 0 419.323 2.926 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000806928581 1080096232 /nfs/dbraw/zinc/09/62/32/1080096232.db2.gz VHXWNDDIUSHSDU-RLLQIKCJSA-N 1 0 402.539 2.960 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806935358 1080142998 /nfs/dbraw/zinc/14/29/98/1080142998.db2.gz XIJGVYRBHDFNQJ-LAUBAEHRSA-N 1 0 409.530 2.879 20 0 HFADRO COC(=O)c1c(C)csc1NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806935990 1080144996 /nfs/dbraw/zinc/14/49/96/1080144996.db2.gz NFZBMISIHLQCJJ-UHFFFAOYSA-N 1 0 407.536 2.695 20 0 HFADRO COc1ccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)c(I)c1 ZINC001130798386 1080185511 /nfs/dbraw/zinc/18/55/11/1080185511.db2.gz BXIRUZHHDLAYES-MRXNPFEDSA-N 1 0 400.260 2.514 20 0 HFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)cc2)C1 ZINC000806978906 1080187387 /nfs/dbraw/zinc/18/73/87/1080187387.db2.gz JAVCFNCAJSANQN-RHSMWYFYSA-N 1 0 413.440 2.899 20 0 HFADRO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2COC3(CCOCC3)O2)[NH+](C)C)cc1 ZINC000807077494 1080258725 /nfs/dbraw/zinc/25/87/25/1080258725.db2.gz HVHSMLGLSGNEEK-RTWAWAEBSA-N 1 0 419.566 2.709 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)C(C)C ZINC000807085228 1080262928 /nfs/dbraw/zinc/26/29/28/1080262928.db2.gz UPZWYTQSPWOIQU-OAQYLSRUSA-N 1 0 403.567 2.896 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000807088969 1080265597 /nfs/dbraw/zinc/26/55/97/1080265597.db2.gz UGYXQCFVBQMLCZ-RXVVDRJESA-N 1 0 401.551 2.509 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000807088376 1080267218 /nfs/dbraw/zinc/26/72/18/1080267218.db2.gz AFTGEOKISSSQRK-LVCYWYKZSA-N 1 0 401.551 2.507 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000807090107 1080270161 /nfs/dbraw/zinc/27/01/61/1080270161.db2.gz NBJHZQOEAHGIHX-VXKWHMMOSA-N 1 0 413.562 2.747 20 0 HFADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807092017 1080270563 /nfs/dbraw/zinc/27/05/63/1080270563.db2.gz MZMJRBXEMVDWKW-OAQYLSRUSA-N 1 0 415.578 2.851 20 0 HFADRO CON(Cc1ccccc1)C(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000807113770 1080290575 /nfs/dbraw/zinc/29/05/75/1080290575.db2.gz GJMMVQQWKVZBBX-OALUTQOASA-N 1 0 409.530 2.849 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000807113535 1080291122 /nfs/dbraw/zinc/29/11/22/1080291122.db2.gz FTNRBXJQUAPLGN-JROBLHLSSA-N 1 0 420.557 2.670 20 0 HFADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000807139614 1080299588 /nfs/dbraw/zinc/29/95/88/1080299588.db2.gz UMNGQOAVFSFKMU-HNJRGHQBSA-N 1 0 402.539 2.816 20 0 HFADRO CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000807149633 1080306852 /nfs/dbraw/zinc/30/68/52/1080306852.db2.gz FVHOGSOSOBWCJS-KXBFYZLASA-N 1 0 408.518 2.985 20 0 HFADRO C[C@@H]1CN(C(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000807176812 1080330668 /nfs/dbraw/zinc/33/06/68/1080330668.db2.gz HWUACAKXFAJGSR-CNDZOEFASA-N 1 0 418.969 2.708 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000807181266 1080375328 /nfs/dbraw/zinc/37/53/28/1080375328.db2.gz PJLKLSFSYLYSAB-RTBURBONSA-N 1 0 412.575 2.578 20 0 HFADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000747381975 1080389959 /nfs/dbraw/zinc/38/99/59/1080389959.db2.gz YTTNSHJKRWXODG-SFHVURJKSA-N 1 0 417.579 2.502 20 0 HFADRO C[NH+](C)CCN(C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C1CC1 ZINC000807267109 1080417545 /nfs/dbraw/zinc/41/75/45/1080417545.db2.gz PRTUXQZBPZKSHO-GOSISDBHSA-N 1 0 405.543 2.621 20 0 HFADRO COCC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807267153 1080417951 /nfs/dbraw/zinc/41/79/51/1080417951.db2.gz RFXUAADMRNLUNP-UHFFFAOYSA-N 1 0 414.591 2.632 20 0 HFADRO O=C(c1ccccc1CSC1=NCCS1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000747382687 1080422592 /nfs/dbraw/zinc/42/25/92/1080422592.db2.gz BFYCFSJSMLRCDT-QZTJIDSGSA-N 1 0 405.589 2.694 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)c3cccs3)cc2)CC1 ZINC000807277086 1080430166 /nfs/dbraw/zinc/43/01/66/1080430166.db2.gz MQBXKOCEEFQCGJ-UHFFFAOYSA-N 1 0 400.548 2.880 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)c3ncc(C)s3)cc2)CC1 ZINC000807276629 1080430920 /nfs/dbraw/zinc/43/09/20/1080430920.db2.gz YVHGWZSITSJMHN-UHFFFAOYSA-N 1 0 415.563 2.583 20 0 HFADRO CCOC(=O)C1=C(Nc2ccc(S(=O)(=O)c3ccccc3F)cc2)CC[NH2+]C1 ZINC001170521509 1080465973 /nfs/dbraw/zinc/46/59/73/1080465973.db2.gz WLPCESUOKGMCQV-UHFFFAOYSA-N 1 0 404.463 2.881 20 0 HFADRO Cc1cc2c(cc1C)N(C(=O)C(=O)Nc1cccc(CN3CC[NH+](C)CC3)c1)CC2 ZINC000807308805 1080502313 /nfs/dbraw/zinc/50/23/13/1080502313.db2.gz TZYSOUPADVMUGF-UHFFFAOYSA-N 1 0 406.530 2.579 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1ccco1 ZINC000807310994 1080503916 /nfs/dbraw/zinc/50/39/16/1080503916.db2.gz XDCKBTIMMSYCFF-AAEUAGOBSA-N 1 0 409.284 2.621 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cnc(Br)cc1C)c1ccco1 ZINC000807310837 1080504442 /nfs/dbraw/zinc/50/44/42/1080504442.db2.gz UDWJFAKCKOWUQD-TZMCWYRMSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccccc1-c1noc(C)n1)c1ccco1 ZINC000807310527 1080504894 /nfs/dbraw/zinc/50/48/94/1080504894.db2.gz LPFOUEILZMAPJC-DYVFJYSZSA-N 1 0 411.462 2.822 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1)c1ccco1 ZINC000807312064 1080505221 /nfs/dbraw/zinc/50/52/21/1080505221.db2.gz JWTLQGADCKUIKJ-CJNGLKHVSA-N 1 0 402.451 2.642 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1)c1ccco1 ZINC000807313058 1080506154 /nfs/dbraw/zinc/50/61/54/1080506154.db2.gz VZOLVVTWZFHTPR-BLLLJJGKSA-N 1 0 420.441 2.781 20 0 HFADRO CCN1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)[C@@H](C)C1 ZINC000807319155 1080512514 /nfs/dbraw/zinc/51/25/14/1080512514.db2.gz UGBOQQAWRYAXDA-HNNXBMFYSA-N 1 0 404.511 2.833 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807354182 1080514742 /nfs/dbraw/zinc/51/47/42/1080514742.db2.gz GUSGWBDAMSWPBX-ZYHUDNBSSA-N 1 0 415.719 2.521 20 0 HFADRO CC(C)Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n(C)n1 ZINC000807355781 1080517577 /nfs/dbraw/zinc/51/75/77/1080517577.db2.gz YMVHNNAXLRUCRT-DEOSSOPVSA-N 1 0 423.561 2.682 20 0 HFADRO COc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc(OC)c1C(C)C ZINC000807355634 1080518112 /nfs/dbraw/zinc/51/81/12/1080518112.db2.gz TXVSISDAKXFZSR-DOTOQJQBSA-N 1 0 403.523 2.851 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000807359319 1080519977 /nfs/dbraw/zinc/51/99/77/1080519977.db2.gz XXQVOHBQCCELQE-UHFFFAOYSA-N 1 0 418.513 2.616 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000807359203 1080520479 /nfs/dbraw/zinc/52/04/79/1080520479.db2.gz VWWLKBWNUHXYRE-UHFFFAOYSA-N 1 0 404.511 2.552 20 0 HFADRO Cc1ccc([C@H](O)[C@@H](C)NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000807348015 1080553806 /nfs/dbraw/zinc/55/38/06/1080553806.db2.gz SCPOHXPKDIDSCO-XMSQKQJNSA-N 1 0 409.530 2.810 20 0 HFADRO CCOC(=O)C1(CNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CCCC1 ZINC000807393032 1080560515 /nfs/dbraw/zinc/56/05/15/1080560515.db2.gz SUOPXCMFUWQECE-UHFFFAOYSA-N 1 0 412.534 2.965 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000747394619 1080570191 /nfs/dbraw/zinc/57/01/91/1080570191.db2.gz VLELYCDFFXSISP-MRXNPFEDSA-N 1 0 405.568 2.725 20 0 HFADRO CNC(=O)Oc1cccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130932629 1080578627 /nfs/dbraw/zinc/57/86/27/1080578627.db2.gz NMSALWBVWGYGET-RBUKOAKNSA-N 1 0 400.479 2.558 20 0 HFADRO CCOC(=O)C1=C(Nc2cccn(CCOC)c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC001170522704 1080585382 /nfs/dbraw/zinc/58/53/82/1080585382.db2.gz RNZXOFIZFJVFAV-UHFFFAOYSA-N 1 0 411.502 2.630 20 0 HFADRO C[C@H]1CC[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000807410133 1080604788 /nfs/dbraw/zinc/60/47/88/1080604788.db2.gz UUSQQBZPEJHOMR-QFBILLFUSA-N 1 0 400.523 2.744 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807452935 1080633444 /nfs/dbraw/zinc/63/34/44/1080633444.db2.gz IKLZGBHVAREYDL-ZWNOBZJWSA-N 1 0 415.719 2.521 20 0 HFADRO C[N@@H+]1CCCN(C(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000807438895 1080659772 /nfs/dbraw/zinc/65/97/72/1080659772.db2.gz FXSQEVAVVXFLGU-LJQANCHMSA-N 1 0 402.539 2.868 20 0 HFADRO Cc1c(C(=O)N2CCS[C@@H]2C(F)(F)F)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001130953094 1080661031 /nfs/dbraw/zinc/66/10/31/1080661031.db2.gz QOPDTAQSMRRPTB-QGZVFWFLSA-N 1 0 411.453 2.641 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1)c1ccco1 ZINC000807441704 1080663357 /nfs/dbraw/zinc/66/33/57/1080663357.db2.gz NDIXLIHPQUGVSC-WNRNVDISSA-N 1 0 405.495 2.836 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1C ZINC000807486193 1080668788 /nfs/dbraw/zinc/66/87/88/1080668788.db2.gz MMRNNFGBKSCONQ-GOSISDBHSA-N 1 0 416.453 2.670 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)c1ccccc1 ZINC000807504910 1080705322 /nfs/dbraw/zinc/70/53/22/1080705322.db2.gz TVKHXCKMZFYFGY-HSZRJFAPSA-N 1 0 415.578 2.563 20 0 HFADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000807485344 1080740675 /nfs/dbraw/zinc/74/06/75/1080740675.db2.gz DUAXOCMFTZMYKG-GOSISDBHSA-N 1 0 416.453 2.752 20 0 HFADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000807485332 1080740751 /nfs/dbraw/zinc/74/07/51/1080740751.db2.gz DHKGLNFAQGZOGG-HNNXBMFYSA-N 1 0 423.286 2.649 20 0 HFADRO COc1cc(C)cc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807539988 1080754906 /nfs/dbraw/zinc/75/49/06/1080754906.db2.gz SNYUJIJNBWLBDK-DEOSSOPVSA-N 1 0 409.530 2.648 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1C ZINC000807544562 1080761402 /nfs/dbraw/zinc/76/14/02/1080761402.db2.gz VWKLQKNYDWRFJR-HRAATJIYSA-N 1 0 408.502 2.671 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C3CC3)C(F)(F)F)cc2)CC1 ZINC000807546374 1080762085 /nfs/dbraw/zinc/76/20/85/1080762085.db2.gz UVUAWAYUUYEWPX-KRWDZBQOSA-N 1 0 412.456 2.613 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000807526272 1080778045 /nfs/dbraw/zinc/77/80/45/1080778045.db2.gz ZWLRBIYBSOFAPF-UHFFFAOYSA-N 1 0 402.539 2.771 20 0 HFADRO Cn1cc(/C=C\C(=O)OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000807581178 1080793112 /nfs/dbraw/zinc/79/31/12/1080793112.db2.gz QLZPVXIPIRBHSQ-OLHLWXQYSA-N 1 0 416.909 2.583 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000807556960 1080808533 /nfs/dbraw/zinc/80/85/33/1080808533.db2.gz WNEBWFIFBRHVAI-UHFFFAOYSA-N 1 0 406.958 2.774 20 0 HFADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ncc(I)s1 ZINC000512007222 1126095468 /nfs/dbraw/zinc/09/54/68/1126095468.db2.gz MROVDKOWYCMIRI-NSHDSACASA-N 1 0 413.284 2.922 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1OC ZINC001198230187 1126155816 /nfs/dbraw/zinc/15/58/16/1126155816.db2.gz PHQVYPHZOAENLX-DEOSSOPVSA-N 1 0 414.546 2.619 20 0 HFADRO CCOC(=O)Cn1cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c(-c2cccnc2)n1 ZINC001308804390 1126168407 /nfs/dbraw/zinc/16/84/07/1126168407.db2.gz SVMINAUTLMEXPO-JOCHJYFZSA-N 1 0 422.529 2.818 20 0 HFADRO Cc1cn2c(nc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cc2=O)s1 ZINC001460871428 1126193184 /nfs/dbraw/zinc/19/31/84/1126193184.db2.gz UFJIZAUPZKRTIB-GOSISDBHSA-N 1 0 422.348 2.910 20 0 HFADRO O[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC001461812882 1126197200 /nfs/dbraw/zinc/19/72/00/1126197200.db2.gz UZBPWEWYGAMJPQ-IFMALSPDSA-N 1 0 402.922 2.799 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001461733988 1126196658 /nfs/dbraw/zinc/19/66/58/1126196658.db2.gz BFYHIAWJJOQXGQ-OAQYLSRUSA-N 1 0 402.495 2.916 20 0 HFADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@](C)(CO)Cc3ccc(F)cc3)nc2c1 ZINC001473840315 1126200861 /nfs/dbraw/zinc/20/08/61/1126200861.db2.gz VOCGVSKXYWGWPT-HXUWFJFHSA-N 1 0 406.479 2.844 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)cc1OC ZINC001560184050 1126209690 /nfs/dbraw/zinc/20/96/90/1126209690.db2.gz DNCJQPLUWMUUAC-NRFANRHFSA-N 1 0 416.547 2.991 20 0 HFADRO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@@H](CO)Cc3ccc(O)cc3)sc2C1 ZINC001560752301 1126213863 /nfs/dbraw/zinc/21/38/63/1126213863.db2.gz AOGGGLCIUHINEH-OAHLLOKOSA-N 1 0 419.547 2.835 20 0 HFADRO CCOc1ccccc1N1C[C@H](C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1=O ZINC000025329123 602211268 /nfs/dbraw/zinc/21/12/68/602211268.db2.gz AGHNLGYOZCHWNJ-AEFFLSMTSA-N 1 0 401.532 2.919 20 0 HFADRO NC(=O)c1ccc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1Cl ZINC001164387909 718813949 /nfs/dbraw/zinc/81/39/49/718813949.db2.gz JOSAVDJTXXNSQD-CYBMUJFWSA-N 1 0 412.790 2.890 20 0 HFADRO COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164390077 718826209 /nfs/dbraw/zinc/82/62/09/718826209.db2.gz LUBSQZKJQFKPPG-DOTOQJQBSA-N 1 0 410.852 2.918 20 0 HFADRO OC[C@@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164401608 718854074 /nfs/dbraw/zinc/85/40/74/718854074.db2.gz CJSSMOBUVPUGSI-APWZRJJASA-N 1 0 409.864 2.877 20 0 HFADRO Clc1nc2c(c(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164401098 718861703 /nfs/dbraw/zinc/86/17/03/718861703.db2.gz BZYFCOPSNWBEPB-FXAWDEMLSA-N 1 0 413.953 2.503 20 0 HFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(F)(F)[C@@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164406914 718870057 /nfs/dbraw/zinc/87/00/57/718870057.db2.gz HTVWLGQATHEFFB-YQQAZPJKSA-N 1 0 422.520 2.972 20 0 HFADRO [NH3+][C@@]12C[C@@H]1CN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164416676 718888066 /nfs/dbraw/zinc/88/80/66/718888066.db2.gz FNVHQGVMKINSPH-OPAMFIHVSA-N 1 0 407.543 2.728 20 0 HFADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424458 718915054 /nfs/dbraw/zinc/91/50/54/718915054.db2.gz NSEJYMJMHWRHQH-IBGZPJMESA-N 1 0 424.879 2.927 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164432040 718967773 /nfs/dbraw/zinc/96/77/73/718967773.db2.gz FCJNZZANXJCNNC-KBPBESRZSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164614444 719010062 /nfs/dbraw/zinc/01/00/62/719010062.db2.gz FJZRJTFVCGMGEA-SCLBCKFNSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)c(NCC4CC4)n3)CC2)CC1 ZINC001164614126 719020704 /nfs/dbraw/zinc/02/07/04/719020704.db2.gz COLDIOONVSQWNX-UHFFFAOYSA-N 1 0 401.555 2.851 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164619265 719021477 /nfs/dbraw/zinc/02/14/77/719021477.db2.gz VGMLTPYVKVXKSN-UHFFFAOYSA-N 1 0 424.929 2.551 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4ncccc43)CC2)CC1 ZINC001164614489 719022783 /nfs/dbraw/zinc/02/27/83/719022783.db2.gz TXYJSCQIDCYINW-UHFFFAOYSA-N 1 0 403.914 2.922 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4ncsc43)CC2)CC1 ZINC001164617541 719027482 /nfs/dbraw/zinc/02/74/82/719027482.db2.gz OCCWCCBFQPLTOE-UHFFFAOYSA-N 1 0 409.943 2.984 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cncc(N4CCCCC4)n3)CC2)CC1 ZINC001164618497 719029356 /nfs/dbraw/zinc/02/93/56/719029356.db2.gz XRIOWCQPWWIXCP-UHFFFAOYSA-N 1 0 401.555 2.711 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)cc3/C=C\C(=O)OC)CC2)CC1 ZINC001164618010 719029989 /nfs/dbraw/zinc/02/99/89/719029989.db2.gz UKSGBAVRQRUAIM-WAYWQWQTSA-N 1 0 415.534 2.820 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCC[C@@H](C)C4)ncn3)CC2)CC1 ZINC001164617625 719033163 /nfs/dbraw/zinc/03/31/63/719033163.db2.gz OEFPAKSJEOTFDG-GOSISDBHSA-N 1 0 415.582 2.957 20 0 HFADRO O=C1CCC(=O)N1Cc1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164628067 719087827 /nfs/dbraw/zinc/08/78/27/719087827.db2.gz LXSFOKQQBXDTOT-RTWAWAEBSA-N 1 0 404.514 2.831 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000301667335 719467006 /nfs/dbraw/zinc/46/70/06/719467006.db2.gz OXUHVJUVNVLSKE-MSOLQXFVSA-N 1 0 409.559 2.939 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164678097 719555555 /nfs/dbraw/zinc/55/55/55/719555555.db2.gz VNZRXOFPGVGDHF-PMACEKPBSA-N 1 0 416.566 2.519 20 0 HFADRO Cn1ncc2c1CN(c1ccc(C[N@H+](C)C3CC3)cn1)C[C@@H]2COc1cccnc1 ZINC001164683043 719599051 /nfs/dbraw/zinc/59/90/51/719599051.db2.gz DKWOFXQVLRJRNG-GOSISDBHSA-N 1 0 404.518 2.987 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(C)c1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682068 719624880 /nfs/dbraw/zinc/62/48/80/719624880.db2.gz LRBGXDXUQNEARM-UHFFFAOYSA-N 1 0 405.930 2.892 20 0 HFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(N)cn3)CC2)c2ccccc21 ZINC001164680292 719659210 /nfs/dbraw/zinc/65/92/10/719659210.db2.gz FAHJYZOSQQIUOA-GOSISDBHSA-N 1 0 407.562 2.757 20 0 HFADRO Cc1cnnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681381 719660189 /nfs/dbraw/zinc/66/01/89/719660189.db2.gz NEGWWOHCKBKFGW-LJQANCHMSA-N 1 0 407.562 2.878 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164686660 719720484 /nfs/dbraw/zinc/72/04/84/719720484.db2.gz QNUTWYHGIYRPNH-UHFFFAOYSA-N 1 0 411.884 2.942 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccccc3nc1N1CCCCC1)CC2 ZINC001164690300 719736978 /nfs/dbraw/zinc/73/69/78/719736978.db2.gz YWZSDVBEDKANCM-UHFFFAOYSA-N 1 0 422.577 2.801 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164689900 719751317 /nfs/dbraw/zinc/75/13/17/719751317.db2.gz OFGGAJPMIZTMKI-UHFFFAOYSA-N 1 0 422.558 2.934 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001164689372 719756337 /nfs/dbraw/zinc/75/63/37/719756337.db2.gz DBTHIZIQNFTFMJ-UHFFFAOYSA-N 1 0 423.291 2.994 20 0 HFADRO CCOC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164695678 719888159 /nfs/dbraw/zinc/88/81/59/719888159.db2.gz QOUALSMFLZVWIR-UHFFFAOYSA-N 1 0 402.520 2.586 20 0 HFADRO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cn1 ZINC001164694561 719891567 /nfs/dbraw/zinc/89/15/67/719891567.db2.gz ADKUFRNBKSFJDH-UHFFFAOYSA-N 1 0 402.520 2.586 20 0 HFADRO COCc1nc(OC)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707685 719907108 /nfs/dbraw/zinc/90/71/08/719907108.db2.gz UVQNLJQQECPWQR-UHFFFAOYSA-N 1 0 404.536 2.565 20 0 HFADRO Cc1noc([C@@]23COC[C@@H]2CN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164807747 720056233 /nfs/dbraw/zinc/05/62/33/720056233.db2.gz WRURMDWTGFKGBY-RDPSFJRHSA-N 1 0 417.513 2.736 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3cc(C(=O)OC)ccc3n1)C2 ZINC001164812317 720083649 /nfs/dbraw/zinc/08/36/49/720083649.db2.gz QOOJAZSQNRLYPZ-WMZHIEFXSA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(N)n1)CC2 ZINC001164712542 720093229 /nfs/dbraw/zinc/09/32/29/720093229.db2.gz WXFUPEZCHCZWNM-INIZCTEOSA-N 1 0 402.930 2.615 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3cnccc3cc1C(=O)OC)C2 ZINC001164816521 720125853 /nfs/dbraw/zinc/12/58/53/720125853.db2.gz ZUSMJNRBXWJVLP-FDDCHVKYSA-N 1 0 410.518 2.601 20 0 HFADRO Cn1nnc2c1CCN(c1cc(Cl)cc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711260 720166405 /nfs/dbraw/zinc/16/64/05/720166405.db2.gz AKXMVACZTSDPQH-OAHLLOKOSA-N 1 0 411.337 2.733 20 0 HFADRO Cn1nnc2c1CCN([C@@H](F)c1ccnc(Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715388 720181603 /nfs/dbraw/zinc/18/16/03/720181603.db2.gz ALHZBYQEGKJDQG-QFBILLFUSA-N 1 0 408.909 2.543 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(OC)cc(OC)cc31)C2 ZINC001164811522 720200717 /nfs/dbraw/zinc/20/07/17/720200717.db2.gz JGFKSKCVCJNWNK-SBUREZEXSA-N 1 0 412.534 2.832 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3[nH]ccc3cc1Cl)CCC2 ZINC001164811911 720227021 /nfs/dbraw/zinc/22/70/21/720227021.db2.gz AFVSCFIBXXHRKL-UHFFFAOYSA-N 1 0 400.914 2.975 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(nc1Cl)CCCC3)CCC2 ZINC001164817827 720245049 /nfs/dbraw/zinc/24/50/49/720245049.db2.gz USIDKCFSOKWTBC-UHFFFAOYSA-N 1 0 416.957 2.816 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)n2)CC1 ZINC001164818510 720285125 /nfs/dbraw/zinc/28/51/25/720285125.db2.gz LYUHTJOORLKSJL-HUUCEWRRSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cn2)CC1 ZINC001164821912 720297080 /nfs/dbraw/zinc/29/70/80/720297080.db2.gz LYQDTIMQZRXJTR-CABCVRRESA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3nc(Cl)ccc32)CC1 ZINC001164825151 720301509 /nfs/dbraw/zinc/30/15/09/720301509.db2.gz SSJFFYARIBRSLA-IRXDYDNUSA-N 1 0 414.941 2.590 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164821623 720308416 /nfs/dbraw/zinc/30/84/16/720308416.db2.gz LLUAMECRRAKQHR-HZPDHXFCSA-N 1 0 416.957 2.831 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2CSC3)CC1 ZINC001164821906 720308900 /nfs/dbraw/zinc/30/89/00/720308900.db2.gz LXKQDYDOXJKSAW-IAGOWNOFSA-N 1 0 421.998 2.788 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(Cl)nc3nc[nH]c32)CC1 ZINC001164824548 720314376 /nfs/dbraw/zinc/31/43/76/720314376.db2.gz RMASWPOCXNXHQR-GJZGRUSLSA-N 1 0 402.930 2.523 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833868 720321545 /nfs/dbraw/zinc/32/15/45/720321545.db2.gz XUQJPBZLGZSYGH-CABCVRRESA-N 1 0 409.987 2.763 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3nc[nH]c3cc2Cl)CC1 ZINC001164831441 720325224 /nfs/dbraw/zinc/32/52/24/720325224.db2.gz SAYMLFUOSXRJTN-IAGOWNOFSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cncc(Cl)n2)CC1 ZINC001164826181 720331532 /nfs/dbraw/zinc/33/15/32/720331532.db2.gz FNSMHPAIMCILIS-CABCVRRESA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nccnc2Cl)CC1 ZINC001164829486 720334131 /nfs/dbraw/zinc/33/41/31/720334131.db2.gz MSUBFMYMUKCKOS-LSDHHAIUSA-N 1 0 413.900 2.586 20 0 HFADRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)o1 ZINC001164829562 720345228 /nfs/dbraw/zinc/34/52/28/720345228.db2.gz SNIDGRPCJQNQDR-VQTJNVASSA-N 1 0 409.534 2.957 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164827807 720346052 /nfs/dbraw/zinc/34/60/52/720346052.db2.gz MRYSAVGBCHYMRN-ZWKOTPCHSA-N 1 0 403.596 2.889 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccnc(-c3nccs3)n2)CC1 ZINC001164825748 720354471 /nfs/dbraw/zinc/35/44/71/720354471.db2.gz JRDMECJUGQKBKX-IRXDYDNUSA-N 1 0 412.563 2.512 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735126 720415169 /nfs/dbraw/zinc/41/51/69/720415169.db2.gz WGISKLJWYAHQCB-UXHICEINSA-N 1 0 409.534 2.807 20 0 HFADRO COc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734458 720432270 /nfs/dbraw/zinc/43/22/70/720432270.db2.gz SFKNZKBPEWOWHZ-OALUTQOASA-N 1 0 409.538 2.509 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836550 720507964 /nfs/dbraw/zinc/50/79/64/720507964.db2.gz NENPPVWCGVUGHP-YESZJQIVSA-N 1 0 403.962 2.770 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc(N(C)C)n3)CC[C@@H]21 ZINC001164836549 720508043 /nfs/dbraw/zinc/50/80/43/720508043.db2.gz NENPPVWCGVUGHP-ULQDDVLXSA-N 1 0 403.962 2.770 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)C1 ZINC001164730004 720517692 /nfs/dbraw/zinc/51/76/92/720517692.db2.gz PNQIAUNSKZDJHA-AWEZNQCLSA-N 1 0 404.946 2.658 20 0 HFADRO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164840064 720520416 /nfs/dbraw/zinc/52/04/16/720520416.db2.gz WFPHCMCYYNBKIR-QWFCFKBJSA-N 1 0 412.538 2.616 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCC[C@H]4COc4ccccn4)C3)n2)CC1 ZINC001164735817 720540083 /nfs/dbraw/zinc/54/00/83/720540083.db2.gz RUPHJUYAPSJHCI-GBXCKJPGSA-N 1 0 423.561 2.683 20 0 HFADRO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164834713 720546408 /nfs/dbraw/zinc/54/64/08/720546408.db2.gz FXHCJKAZCIVHBH-QHAWAJNXSA-N 1 0 411.550 2.762 20 0 HFADRO Clc1nc2c(c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n1)CSCC2 ZINC001164732944 720553724 /nfs/dbraw/zinc/55/37/24/720553724.db2.gz GEWYQLXDSYKGGK-UHFFFAOYSA-N 1 0 404.971 2.774 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836774 720554282 /nfs/dbraw/zinc/55/42/82/720554282.db2.gz KWZTVEHPLNRMJC-SESVDKBCSA-N 1 0 408.550 2.548 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4ncnc(Cl)c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840176 720573395 /nfs/dbraw/zinc/57/33/95/720573395.db2.gz SAOMQOBXHHGGLS-YQQAZPJKSA-N 1 0 412.929 2.648 20 0 HFADRO Cc1cn(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cn1 ZINC001164837417 720573734 /nfs/dbraw/zinc/57/37/34/720573734.db2.gz MMGWBQPUGSGXSV-VAMGGRTRSA-N 1 0 406.538 2.545 20 0 HFADRO COC(=O)c1ccc2cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ncc2c1 ZINC001164736125 720578748 /nfs/dbraw/zinc/57/87/48/720578748.db2.gz DGXNOHCYCOTLBC-UHFFFAOYSA-N 1 0 405.502 2.876 20 0 HFADRO Clc1cc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)ccn1 ZINC001164743106 720653276 /nfs/dbraw/zinc/65/32/76/720653276.db2.gz OYNFMRNPNBNQPS-ZWKOTPCHSA-N 1 0 408.893 2.929 20 0 HFADRO CCOC(=O)c1cncnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836975 720654431 /nfs/dbraw/zinc/65/44/31/720654431.db2.gz AMASVKVJVRXAEZ-IBGZPJMESA-N 1 0 410.518 2.913 20 0 HFADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)C1 ZINC001164738519 720691897 /nfs/dbraw/zinc/69/18/97/720691897.db2.gz KJAOLLURKSPJHH-BZUAXINKSA-N 1 0 422.558 2.948 20 0 HFADRO c1ccc(COc2cccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164739892 720738799 /nfs/dbraw/zinc/73/87/99/720738799.db2.gz JIZBLHGHFYNIBJ-VQTJNVASSA-N 1 0 403.486 2.793 20 0 HFADRO CCc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164741131 720757822 /nfs/dbraw/zinc/75/78/22/720757822.db2.gz MIMZQBIWHCKFLQ-LSDHHAIUSA-N 1 0 422.558 2.874 20 0 HFADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745847 720773992 /nfs/dbraw/zinc/77/39/92/720773992.db2.gz WAQXGFHHKUTZCT-VQTJNVASSA-N 1 0 416.529 2.967 20 0 HFADRO Fc1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164744200 720777526 /nfs/dbraw/zinc/77/75/26/720777526.db2.gz RLYWDXUQIXEWSH-SJLPKXTDSA-N 1 0 408.437 2.540 20 0 HFADRO Clc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164738573 720778035 /nfs/dbraw/zinc/77/80/35/720778035.db2.gz GBJOXYHMUSUGKY-IAGOWNOFSA-N 1 0 408.893 2.929 20 0 HFADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746063 720802261 /nfs/dbraw/zinc/80/22/61/720802261.db2.gz LROHXTKCNSELKE-CVEARBPZSA-N 1 0 400.914 2.838 20 0 HFADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746069 720802277 /nfs/dbraw/zinc/80/22/77/720802277.db2.gz LROHXTKCNSELKE-HZPDHXFCSA-N 1 0 400.914 2.838 20 0 HFADRO Cc1csc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164744901 720809881 /nfs/dbraw/zinc/80/98/81/720809881.db2.gz JLIZYSPLFWUCOR-RCCFBDPRSA-N 1 0 409.563 2.971 20 0 HFADRO Clc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748710 720812738 /nfs/dbraw/zinc/81/27/38/720812738.db2.gz RBUAZIIROLQEEL-IIAWOOMASA-N 1 0 408.337 2.754 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746906 720817447 /nfs/dbraw/zinc/81/74/47/720817447.db2.gz ZLBNGSHHVUVNEL-SFHLNBCPSA-N 1 0 424.549 2.538 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740296 720818598 /nfs/dbraw/zinc/81/85/98/720818598.db2.gz KBGWWJFCCMEIHB-LVCYWYKZSA-N 1 0 419.533 2.609 20 0 HFADRO Cc1cccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739202 720819036 /nfs/dbraw/zinc/81/90/36/720819036.db2.gz HRYJOIGHKGTBQF-IRFCIJBXSA-N 1 0 403.534 2.909 20 0 HFADRO Clc1nc2cnccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739848 720821545 /nfs/dbraw/zinc/82/15/45/720821545.db2.gz JBZIHSGSQYZXGL-GPMSIDNRSA-N 1 0 424.940 2.649 20 0 HFADRO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737670 720828972 /nfs/dbraw/zinc/82/89/72/720828972.db2.gz BRNKGOYZVGMZNA-BHYGNILZSA-N 1 0 423.899 2.646 20 0 HFADRO COc1cccc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164739234 720830609 /nfs/dbraw/zinc/83/06/09/720830609.db2.gz HVVYTLQHMYMCDE-XUVXKRRUSA-N 1 0 419.533 2.609 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C ZINC001164739531 720832099 /nfs/dbraw/zinc/83/20/99/720832099.db2.gz AZFAVATVKOILMC-QKNQBKEWSA-N 1 0 424.549 2.538 20 0 HFADRO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751824 720833939 /nfs/dbraw/zinc/83/39/39/720833939.db2.gz YZYUCHNJFXZTPR-SZVBFZGTSA-N 1 0 424.940 2.649 20 0 HFADRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)c1Cl ZINC001164749416 720834757 /nfs/dbraw/zinc/83/47/57/720834757.db2.gz VUSLWPLIEBUVER-KZNAEPCWSA-N 1 0 401.946 2.718 20 0 HFADRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)c1Cl ZINC001164749414 720834951 /nfs/dbraw/zinc/83/49/51/720834951.db2.gz VUSLWPLIEBUVER-FGTMMUONSA-N 1 0 401.946 2.718 20 0 HFADRO Clc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c2n1 ZINC001164750327 720842016 /nfs/dbraw/zinc/84/20/16/720842016.db2.gz XGGMRIXAPQBMKO-ZMSDIMECSA-N 1 0 412.929 2.582 20 0 HFADRO FC(F)(c1nccnc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743624 720842922 /nfs/dbraw/zinc/84/29/22/720842922.db2.gz JQHFXFZMCLEYEX-OWCLPIDISA-N 1 0 423.899 2.646 20 0 HFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741914 720849907 /nfs/dbraw/zinc/84/99/07/720849907.db2.gz FWGFYEDTPGGAAL-KCZVDYSFSA-N 1 0 416.533 2.510 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]2C1 ZINC001164852740 720853183 /nfs/dbraw/zinc/85/31/83/720853183.db2.gz FPKFRLDTBULVSM-JFIYKMOQSA-N 1 0 416.591 2.990 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@@H]2C1 ZINC001164851563 720855294 /nfs/dbraw/zinc/85/52/94/720855294.db2.gz AYYCMPNCVVDNMV-CJNGLKHVSA-N 1 0 414.884 2.935 20 0 HFADRO CN(C)c1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753319 720874497 /nfs/dbraw/zinc/87/44/97/720874497.db2.gz OZJXGRMOWVZCSI-ZJSXRUAMSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@H]2C1 ZINC001164864636 720888123 /nfs/dbraw/zinc/88/81/23/720888123.db2.gz WGEAMJDGYMVMFL-ICSRJNTNSA-N 1 0 414.575 2.942 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C)c(-c4ccccc4F)n3)CC[C@@H]2C1 ZINC001164857449 720888839 /nfs/dbraw/zinc/88/88/39/720888839.db2.gz JRYPARYJKZXBBN-YLJYHZDGSA-N 1 0 400.498 2.765 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)[C@@H]2C ZINC001164858868 720969288 /nfs/dbraw/zinc/96/92/88/720969288.db2.gz IRAZWKICCGIMRE-LLVKDONJSA-N 1 0 406.893 2.735 20 0 HFADRO CCOC(=O)c1cnc(CC)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858840 721014970 /nfs/dbraw/zinc/01/49/70/721014970.db2.gz HWVNJQNEWZYPTM-HNNXBMFYSA-N 1 0 400.527 2.834 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164762225 721039032 /nfs/dbraw/zinc/03/90/32/721039032.db2.gz GWUSDTSVPMKZDD-NJYVYQBISA-N 1 0 408.550 2.855 20 0 HFADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCCCC1 ZINC001164869508 721050664 /nfs/dbraw/zinc/05/06/64/721050664.db2.gz TZZALWXPSYPRFP-NHCUHLMSSA-N 1 0 421.545 2.582 20 0 HFADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164865874 721060923 /nfs/dbraw/zinc/06/09/23/721060923.db2.gz BCWTZVORSFUOQS-ZWKOTPCHSA-N 1 0 421.501 2.522 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164762509 721071291 /nfs/dbraw/zinc/07/12/91/721071291.db2.gz FDHBFXMFBURIBS-NVXWUHKLSA-N 1 0 403.914 2.604 20 0 HFADRO CCOC(=O)c1cc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2[nH]1 ZINC001164865510 721076338 /nfs/dbraw/zinc/07/63/38/721076338.db2.gz MDOBNKLTTTUDLB-MOPGFXCFSA-N 1 0 421.501 2.614 20 0 HFADRO COC(=O)c1ccc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865561 721076847 /nfs/dbraw/zinc/07/68/47/721076847.db2.gz MVQYPCXSHCAOJI-SFTDATJTSA-N 1 0 418.497 2.896 20 0 HFADRO CCOC(=O)/C=C\c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865317 721112109 /nfs/dbraw/zinc/11/21/09/721112109.db2.gz JUWLWMSNFHZUPF-ZMEWGYROSA-N 1 0 408.502 2.533 20 0 HFADRO COC(=O)c1ccc2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164871108 721135334 /nfs/dbraw/zinc/13/53/34/721135334.db2.gz DRHYUMSDOHWOBO-YADHBBJMSA-N 1 0 418.497 2.896 20 0 HFADRO COc1cc2nc(C)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164763405 721135811 /nfs/dbraw/zinc/13/58/11/721135811.db2.gz FMNWOEPCEPDTPA-ROUUACIJSA-N 1 0 422.533 2.647 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164879817 721138240 /nfs/dbraw/zinc/13/82/40/721138240.db2.gz UHOBTLXOCTTXPL-PMACEKPBSA-N 1 0 402.502 2.722 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880751 721154870 /nfs/dbraw/zinc/15/48/70/721154870.db2.gz XMFXRZDRVKLWTI-UXHICEINSA-N 1 0 418.497 2.896 20 0 HFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(C)nc2c1 ZINC001164880455 721160538 /nfs/dbraw/zinc/16/05/38/721160538.db2.gz WTTDJFYPSNXOEF-ICSRJNTNSA-N 1 0 405.502 2.822 20 0 HFADRO Cc1nc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(Cl)c1C ZINC001164766515 721161109 /nfs/dbraw/zinc/16/11/09/721161109.db2.gz LVUTWZJGUHTVTB-HOTGVXAUSA-N 1 0 410.900 2.984 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164765684 721166111 /nfs/dbraw/zinc/16/61/11/721166111.db2.gz IDDOUBHJSXNLCC-OALUTQOASA-N 1 0 405.502 2.713 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@H]3C2)cn1 ZINC001164766002 721179704 /nfs/dbraw/zinc/17/97/04/721179704.db2.gz IUKGPASBKWWIQU-CHWSQXEVSA-N 1 0 414.913 2.655 20 0 HFADRO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1)C1CC1 ZINC001164762726 721190881 /nfs/dbraw/zinc/19/08/81/721190881.db2.gz DMZUGBLZUCURIP-FKBYEOEOSA-N 1 0 423.561 2.830 20 0 HFADRO COc1ccccc1-c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nn1 ZINC001164770790 721201036 /nfs/dbraw/zinc/20/10/36/721201036.db2.gz OKLJVQWPNYJFEH-OALUTQOASA-N 1 0 404.518 2.844 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@H]3C2)cn1 ZINC001164764291 721204913 /nfs/dbraw/zinc/20/49/13/721204913.db2.gz GZUNHKRVABYRLR-LSDHHAIUSA-N 1 0 422.911 2.855 20 0 HFADRO Cc1nc(C)c(-c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)s1 ZINC001164761882 721228783 /nfs/dbraw/zinc/22/87/83/721228783.db2.gz JSAONBFECJYINF-MSOLQXFVSA-N 1 0 409.563 2.909 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164761903 721229640 /nfs/dbraw/zinc/22/96/40/721229640.db2.gz JZWGFWJBJBENGD-OALUTQOASA-N 1 0 414.517 2.507 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@H]3C2)cn1 ZINC001164761518 721244582 /nfs/dbraw/zinc/24/45/82/721244582.db2.gz JHOYFEMBFDCYFP-HZPDHXFCSA-N 1 0 405.481 2.942 20 0 HFADRO Cc1cccc2c(C)cc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)nc12 ZINC001164874372 721263269 /nfs/dbraw/zinc/26/32/69/721263269.db2.gz KUJQKKUIOGMVNY-UHFFFAOYSA-N 1 0 410.562 2.859 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)C1 ZINC001164868538 721264065 /nfs/dbraw/zinc/26/40/65/721264065.db2.gz BAEYSUANUJOWCK-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO COCOc1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164779067 721352460 /nfs/dbraw/zinc/35/24/60/721352460.db2.gz QCFMSXRUKFAIRA-QFIPXVFZSA-N 1 0 416.522 2.788 20 0 HFADRO Cc1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164885002 721380138 /nfs/dbraw/zinc/38/01/38/721380138.db2.gz BLVPXYPUWIPFJH-LAUBAEHRSA-N 1 0 401.580 2.765 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893609 721382761 /nfs/dbraw/zinc/38/27/61/721382761.db2.gz WBNGAZPQQHLCAQ-KXBFYZLASA-N 1 0 412.003 2.617 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886343 721410964 /nfs/dbraw/zinc/41/09/64/721410964.db2.gz JCZVZOWCARBDFN-HNAYVOBHSA-N 1 0 412.003 2.617 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)ncn4)C3)O2)CC1 ZINC001164896428 721432395 /nfs/dbraw/zinc/43/23/95/721432395.db2.gz RIHAZNBWEHNYNW-ZJSXRUAMSA-N 1 0 407.562 2.909 20 0 HFADRO CCCSc1cncc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893687 721439683 /nfs/dbraw/zinc/43/96/83/721439683.db2.gz JYUSHUCPSNRPDL-GHTZIAJQSA-N 1 0 405.612 2.744 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164896704 721440486 /nfs/dbraw/zinc/44/04/86/721440486.db2.gz RUVAPWGOCJIISZ-QPPBQGQZSA-N 1 0 422.577 2.612 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889570 721440563 /nfs/dbraw/zinc/44/05/63/721440563.db2.gz BTWLBYRHHRUGCV-RDGATRHJSA-N 1 0 421.589 2.833 20 0 HFADRO CCN(C)c1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164784520 721448287 /nfs/dbraw/zinc/44/82/87/721448287.db2.gz FZGPQELHTRAJSK-FQEVSTJZSA-N 1 0 417.598 2.667 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(OC)n1)CC2 ZINC001164790574 721450757 /nfs/dbraw/zinc/45/07/57/721450757.db2.gz ZPJUMEPSNPZHEI-QGZVFWFLSA-N 1 0 424.973 2.873 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(SC)n1)CC2 ZINC001164787947 721469347 /nfs/dbraw/zinc/46/93/47/721469347.db2.gz GIPDRHFAQQXNOP-GOSISDBHSA-N 1 0 406.596 2.932 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(SC)n1)CC2 ZINC001164787948 721469460 /nfs/dbraw/zinc/46/94/60/721469460.db2.gz GIPDRHFAQQXNOP-SFHVURJKSA-N 1 0 406.596 2.932 20 0 HFADRO c1cncc(NCc2nnn3c2CN(c2ccc(C[NH+]4CCCC4)cn2)CCC3)c1 ZINC001164791695 721474969 /nfs/dbraw/zinc/47/49/69/721474969.db2.gz XQHWSDBVNJYNSV-UHFFFAOYSA-N 1 0 404.522 2.686 20 0 HFADRO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164896624 721502656 /nfs/dbraw/zinc/50/26/56/721502656.db2.gz ITCNATOEUNUEMF-FQEVSTJZSA-N 1 0 400.567 2.825 20 0 HFADRO Cc1ccc(Cl)nc1C(F)(F)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164799246 721515801 /nfs/dbraw/zinc/51/58/01/721515801.db2.gz ZVTFGRRPCODXLA-UHFFFAOYSA-N 1 0 410.900 2.552 20 0 HFADRO COC(=O)c1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc2c1 ZINC001164896990 721517708 /nfs/dbraw/zinc/51/77/08/721517708.db2.gz DESMKVDMIRQKIJ-UYAOXDASSA-N 1 0 422.460 2.897 20 0 HFADRO COC(=O)c1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncc2c1 ZINC001164896983 721517740 /nfs/dbraw/zinc/51/77/40/721517740.db2.gz DESMKVDMIRQKIJ-ICSRJNTNSA-N 1 0 422.460 2.897 20 0 HFADRO COC(=O)c1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ncc2c1 ZINC001164896955 721517756 /nfs/dbraw/zinc/51/77/56/721517756.db2.gz DESMKVDMIRQKIJ-AZUAARDMSA-N 1 0 422.460 2.897 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4c(F)cccc24)CC3)CC1 ZINC001164795042 721521799 /nfs/dbraw/zinc/52/17/99/721521799.db2.gz IXERVHIBLSAHPQ-UHFFFAOYSA-N 1 0 414.916 2.991 20 0 HFADRO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(C)c1 ZINC001164802299 721542366 /nfs/dbraw/zinc/54/23/66/721542366.db2.gz FXPMOUGELAETRE-ACRUOGEOSA-N 1 0 410.518 2.830 20 0 HFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(OC)c1 ZINC001164905860 721542560 /nfs/dbraw/zinc/54/25/60/721542560.db2.gz JHSDSLQICDTWEJ-PKOBYXMFSA-N 1 0 415.465 2.748 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)ccc12 ZINC001164810621 721543253 /nfs/dbraw/zinc/54/32/53/721543253.db2.gz XKUSSDAHVOOXDG-IRFCIJBXSA-N 1 0 421.501 2.613 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164905300 721550811 /nfs/dbraw/zinc/55/08/11/721550811.db2.gz GMVZMRGVRRJRIM-HOCLYGCPSA-N 1 0 416.888 2.806 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1C ZINC001164905298 721551152 /nfs/dbraw/zinc/55/11/52/721551152.db2.gz GMVZMRGVRRJRIM-GDBMZVCRSA-N 1 0 416.888 2.806 20 0 HFADRO NC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164904656 721557906 /nfs/dbraw/zinc/55/79/06/721557906.db2.gz FBIKUPNDWSYHSJ-PKOBYXMFSA-N 1 0 406.461 2.815 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164802394 721568372 /nfs/dbraw/zinc/56/83/72/721568372.db2.gz IHECTZKYKXHTGK-XJUOHMSHSA-N 1 0 421.545 2.581 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)ccn2)[C@H]2CCCO[C@H]12 ZINC001164801395 721569262 /nfs/dbraw/zinc/56/92/62/721569262.db2.gz GLZQBQDOKPRWCL-VWPQPMDRSA-N 1 0 423.561 2.873 20 0 HFADRO Cc1noc(-c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2)n1 ZINC001164809550 721581171 /nfs/dbraw/zinc/58/11/71/721581171.db2.gz TVFTWCMSSCKVEQ-SVFBPWRDSA-N 1 0 406.490 2.703 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(N)=O)cc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164807637 721582146 /nfs/dbraw/zinc/58/21/46/721582146.db2.gz PBHQSNZHGYZQGL-BDTNDASRSA-N 1 0 417.513 2.597 20 0 HFADRO C[C@@H]1CCCN(c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ncn2)C1 ZINC001164800178 721584864 /nfs/dbraw/zinc/58/48/64/721584864.db2.gz CILIGHKGDJQGPA-HWXYTADMSA-N 1 0 422.577 2.976 20 0 HFADRO C[C@@H]1CN(c2cc(C[NH+](C)C)ccn2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008903 721691668 /nfs/dbraw/zinc/69/16/68/721691668.db2.gz LRGXVWWPZVLEPJ-MONBJTKQSA-N 1 0 409.534 2.941 20 0 HFADRO C[C@@H]1CN(c2cc(C[NH+](C)C)ccn2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008899 721691773 /nfs/dbraw/zinc/69/17/73/721691773.db2.gz LRGXVWWPZVLEPJ-HCLVMJGWSA-N 1 0 409.534 2.941 20 0 HFADRO COc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(OC)n1 ZINC001164907052 721693640 /nfs/dbraw/zinc/69/36/40/721693640.db2.gz QNUGEJQRSHWJQL-IBGZPJMESA-N 1 0 405.449 2.627 20 0 HFADRO Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C(N)=O ZINC001164907097 721700468 /nfs/dbraw/zinc/70/04/68/721700468.db2.gz RNJUVBJZYZRKCB-FQEVSTJZSA-N 1 0 401.461 2.622 20 0 HFADRO O=C1COc2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2N1 ZINC001164906527 721710088 /nfs/dbraw/zinc/71/00/88/721710088.db2.gz MMQFUVOUKSIOCH-FQEVSTJZSA-N 1 0 415.444 2.545 20 0 HFADRO COc1ccccc1-c1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ncn1 ZINC001165009463 721745700 /nfs/dbraw/zinc/74/57/00/721745700.db2.gz DXNNRROZJALZHM-UHFFFAOYSA-N 1 0 409.534 2.675 20 0 HFADRO CN(C)c1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc2nc[nH]c21 ZINC001165026806 721816182 /nfs/dbraw/zinc/81/61/82/721816182.db2.gz RGGPCTAJBWQXQK-RYQLBKOJSA-N 1 0 406.538 2.551 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(-n4ccccc4=O)n3)C[C@H]21 ZINC001165021303 721825919 /nfs/dbraw/zinc/82/59/19/721825919.db2.gz DUGIIXSZOZBWHI-CEWLAPEOSA-N 1 0 416.529 2.759 20 0 HFADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cc5[nH]ccc5c(C)[nH+]4)CCO3)C2)cs1 ZINC001164922258 721831164 /nfs/dbraw/zinc/83/11/64/721831164.db2.gz NPUDOMWAGRJELD-NRFANRHFSA-N 1 0 413.547 2.744 20 0 HFADRO CCOC(=O)c1cncnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165017196 721837586 /nfs/dbraw/zinc/83/75/86/721837586.db2.gz IWDREYBCINKYBV-UHFFFAOYSA-N 1 0 414.506 2.771 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164933625 721887381 /nfs/dbraw/zinc/88/73/81/721887381.db2.gz NLIWMLJFIMGWFU-LSDHHAIUSA-N 1 0 417.888 2.587 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936348 721887868 /nfs/dbraw/zinc/88/78/68/721887868.db2.gz ZPSBKFLRULFQQI-OALUTQOASA-N 1 0 401.942 2.924 20 0 HFADRO CCOC(=O)c1nccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939050 721931814 /nfs/dbraw/zinc/93/18/14/721931814.db2.gz HXIQUHLNWQTKRS-UHFFFAOYSA-N 1 0 410.518 2.833 20 0 HFADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049855 721972852 /nfs/dbraw/zinc/97/28/52/721972852.db2.gz SRZDPCYXUXPYOO-HNNXBMFYSA-N 1 0 420.945 2.888 20 0 HFADRO COc1ccc(OC)c(-c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)c1 ZINC001165054822 722018608 /nfs/dbraw/zinc/01/86/08/722018608.db2.gz DUVZFAKLRBBUBI-UHFFFAOYSA-N 1 0 405.502 2.921 20 0 HFADRO CCOC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164960484 722052230 /nfs/dbraw/zinc/05/22/30/722052230.db2.gz PHJQFRGWOVAFBX-UHFFFAOYSA-N 1 0 410.518 2.772 20 0 HFADRO COC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960485 722052957 /nfs/dbraw/zinc/05/29/57/722052957.db2.gz PHQJXNXHRMDXCN-UHFFFAOYSA-N 1 0 414.481 2.521 20 0 HFADRO CSc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963250 722054330 /nfs/dbraw/zinc/05/43/30/722054330.db2.gz JUDFZDUANYXBEK-UHFFFAOYSA-N 1 0 420.970 2.761 20 0 HFADRO CCCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164961595 722059836 /nfs/dbraw/zinc/05/98/36/722059836.db2.gz MKGYSEUKYTXFFY-UHFFFAOYSA-N 1 0 423.561 2.735 20 0 HFADRO Cc1noc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2)n1 ZINC001164959962 722060287 /nfs/dbraw/zinc/06/02/87/722060287.db2.gz AQWHLNCWUHCUMR-UHFFFAOYSA-N 1 0 420.517 2.954 20 0 HFADRO CC(C)(C)OC(=O)Nc1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c2[nH]cnc21 ZINC001164967470 722074790 /nfs/dbraw/zinc/07/47/90/722074790.db2.gz RGNGLUULVVQZJV-GASCZTMLSA-N 1 0 414.510 2.604 20 0 HFADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980084 722105667 /nfs/dbraw/zinc/10/56/67/722105667.db2.gz JFAYCLFYZAIYGA-JKSUJKDBSA-N 1 0 409.868 2.797 20 0 HFADRO Clc1nc2cccnc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982295 722106467 /nfs/dbraw/zinc/10/64/67/722106467.db2.gz NDXDCTYXARBFRJ-AEFFLSMTSA-N 1 0 410.909 2.801 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164986200 722106960 /nfs/dbraw/zinc/10/69/60/722106960.db2.gz YJCHDJKWHNHMKC-GHTZIAJQSA-N 1 0 405.502 2.761 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001164981835 722108897 /nfs/dbraw/zinc/10/88/97/722108897.db2.gz VGFWTRAIIUSVPE-TZIWHRDSSA-N 1 0 410.518 2.689 20 0 HFADRO COc1nc(Cl)nc(C)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975794 722118156 /nfs/dbraw/zinc/11/81/56/722118156.db2.gz KYMMBIFXFWDEII-SJORKVTESA-N 1 0 403.914 2.569 20 0 HFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979799 722118549 /nfs/dbraw/zinc/11/85/49/722118549.db2.gz QENMPUJEJRLNNT-QKLQHJQFSA-N 1 0 406.889 2.985 20 0 HFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979801 722118594 /nfs/dbraw/zinc/11/85/94/722118594.db2.gz QENMPUJEJRLNNT-UWVAXJGDSA-N 1 0 406.889 2.985 20 0 HFADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2ncccc12 ZINC001164971944 722119154 /nfs/dbraw/zinc/11/91/54/722119154.db2.gz DZCHGSGLLWVXML-AEFFLSMTSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1nc2ncsc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983650 722120103 /nfs/dbraw/zinc/12/01/03/722120103.db2.gz YVJMQWOGZVFAHH-HUUCEWRRSA-N 1 0 416.938 2.862 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C ZINC001164972496 722122230 /nfs/dbraw/zinc/12/22/30/722122230.db2.gz FRYLJFQSSPPORB-TZIWHRDSSA-N 1 0 410.518 2.689 20 0 HFADRO COC(=O)c1ccc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974888 722123642 /nfs/dbraw/zinc/12/36/42/722123642.db2.gz ITWBOZIIDIIWSB-LPHOPBHVSA-N 1 0 416.909 2.644 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4nccc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164972702 722128904 /nfs/dbraw/zinc/12/89/04/722128904.db2.gz AIBJWLJPOQOBHQ-RTWAWAEBSA-N 1 0 408.550 2.589 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164980925 722131757 /nfs/dbraw/zinc/13/17/57/722131757.db2.gz NTRHIARKFIAGTM-NHCUHLMSSA-N 1 0 408.550 2.589 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976135 722137114 /nfs/dbraw/zinc/13/71/14/722137114.db2.gz HKBFOFCPPNYMOK-CVEARBPZSA-N 1 0 405.955 2.974 20 0 HFADRO COc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc21 ZINC001164985486 722139452 /nfs/dbraw/zinc/13/94/52/722139452.db2.gz ZQCJXSLUOZHTIM-NQIIRXRSSA-N 1 0 405.502 2.761 20 0 HFADRO Fc1cccc(-c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164978916 722145772 /nfs/dbraw/zinc/14/57/72/722145772.db2.gz KXLZWMIUPAATDG-PZJWPPBQSA-N 1 0 420.492 2.800 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984212 722147260 /nfs/dbraw/zinc/14/72/60/722147260.db2.gz WLDCBTKMNKCRPI-GGAORHGYSA-N 1 0 416.529 2.969 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977150 722153251 /nfs/dbraw/zinc/15/32/51/722153251.db2.gz XRTGQIHJQWGCOW-PZJWPPBQSA-N 1 0 410.518 2.769 20 0 HFADRO C[NH+]1CCN(c2ccc(N3CCC[C@]4(C[C@H](OCC5CCCC5)CO4)C3)nn2)CC1 ZINC001164975962 722163802 /nfs/dbraw/zinc/16/38/02/722163802.db2.gz ASCWMDMUIPVCBS-REWPJTCUSA-N 1 0 415.582 2.563 20 0 HFADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164989701 722187744 /nfs/dbraw/zinc/18/77/44/722187744.db2.gz JFSPVICKQMJPSC-FQEVSTJZSA-N 1 0 400.567 2.779 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cncc(OCc3ccccc3)n1)CCC2 ZINC001165000468 722251326 /nfs/dbraw/zinc/25/13/26/722251326.db2.gz PYMHXNOATVNEMO-UHFFFAOYSA-N 1 0 422.533 2.741 20 0 HFADRO CCOC(=O)c1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(Cl)c1 ZINC001165003065 722253601 /nfs/dbraw/zinc/25/36/01/722253601.db2.gz YVAJNBSHAOWEMN-UHFFFAOYSA-N 1 0 421.929 2.597 20 0 HFADRO CCCN(CCC)c1cncc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165002598 722255171 /nfs/dbraw/zinc/25/51/71/722255171.db2.gz RFILARHBKOWRRI-UHFFFAOYSA-N 1 0 415.586 2.788 20 0 HFADRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2ccccn2)n1 ZINC001165004498 722255852 /nfs/dbraw/zinc/25/58/52/722255852.db2.gz SSXTUHAJMJVTSV-UHFFFAOYSA-N 1 0 407.522 2.532 20 0 HFADRO Cc1cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(Cl)nn1 ZINC001165003397 722256702 /nfs/dbraw/zinc/25/67/02/722256702.db2.gz BSSUFNGARGIFGN-UHFFFAOYSA-N 1 0 414.888 2.668 20 0 HFADRO C[NH+]1CCN(c2ccc(N3CC[C@H](OCC4CC4)[C@H]3Cc3ccccc3)nn2)CC1 ZINC001165005935 722271483 /nfs/dbraw/zinc/27/14/83/722271483.db2.gz KMBDBFKQHYMDIQ-YADHBBJMSA-N 1 0 407.562 2.845 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000790537273 1078053328 /nfs/dbraw/zinc/05/33/28/1078053328.db2.gz CKHIPTAFUUSJDI-IBGZPJMESA-N 1 0 400.523 2.831 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)CC1 ZINC000793054616 1078057495 /nfs/dbraw/zinc/05/74/95/1078057495.db2.gz MROGSDWRKUCXFR-LJQANCHMSA-N 1 0 409.534 2.899 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000790599054 1078063957 /nfs/dbraw/zinc/06/39/57/1078063957.db2.gz RMXUHPKRDBOWHE-ROUUACIJSA-N 1 0 403.523 2.946 20 0 HFADRO CCOC(=O)N1CCC([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1 ZINC000790601437 1078064988 /nfs/dbraw/zinc/06/49/88/1078064988.db2.gz LYKFTDMLHBCBHL-UHFFFAOYSA-N 1 0 408.442 2.819 20 0 HFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1cccc(Br)n1)[NH+](C)C ZINC000793059229 1078069234 /nfs/dbraw/zinc/06/92/34/1078069234.db2.gz WPUXJUFWRQQGKH-SUMWQHHRSA-N 1 0 419.323 2.899 20 0 HFADRO COCC1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793126767 1078072061 /nfs/dbraw/zinc/07/20/61/1078072061.db2.gz AOTMPVSAILVREO-SFHVURJKSA-N 1 0 411.587 2.888 20 0 HFADRO C[C@H]1OCC[C@]12CN(C(=S)NC1CC[NH+](Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC000790608672 1078074600 /nfs/dbraw/zinc/07/46/00/1078074600.db2.gz NPIUGJFCZPGARM-HMFYCAOWSA-N 1 0 403.592 2.794 20 0 HFADRO COCC1(C(=O)NC2CC[NH+](CC3CC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793117008 1078083648 /nfs/dbraw/zinc/08/36/48/1078083648.db2.gz LNXQWLLRJJKSCI-UHFFFAOYSA-N 1 0 409.571 2.641 20 0 HFADRO CC[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC001170141907 1078084902 /nfs/dbraw/zinc/08/49/02/1078084902.db2.gz YADQSPGKJWGAJY-HNNXBMFYSA-N 1 0 401.525 2.501 20 0 HFADRO COC(=O)[C@H](COCc1ccccc1)Nc1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1 ZINC001170142336 1078092789 /nfs/dbraw/zinc/09/27/89/1078092789.db2.gz ONAVODDWHXHYJZ-FIXSFTCYSA-N 1 0 410.514 2.877 20 0 HFADRO Cc1cc(C)c(C(=O)N2CCC(CC(=O)N3CCC([NH+](C)C)CC3)CC2)cc1C=O ZINC000793235285 1078102825 /nfs/dbraw/zinc/10/28/25/1078102825.db2.gz FKMFWTFYKISAHX-UHFFFAOYSA-N 1 0 413.562 2.911 20 0 HFADRO COc1ccc(-n2cnn(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2=S)cn1 ZINC000772829142 1078105985 /nfs/dbraw/zinc/10/59/85/1078105985.db2.gz RNTGYXYDCCPBAE-CRAIPNDOSA-N 1 0 400.552 2.713 20 0 HFADRO COc1ccc(-n2cnn(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2=S)cn1 ZINC000772829148 1078105995 /nfs/dbraw/zinc/10/59/95/1078105995.db2.gz RNTGYXYDCCPBAE-YJBOKZPZSA-N 1 0 400.552 2.713 20 0 HFADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768557 1078114234 /nfs/dbraw/zinc/11/42/34/1078114234.db2.gz VJVQFLURCSUTEN-GZMMTYOYSA-N 1 0 403.118 2.819 20 0 HFADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790727652 1078117401 /nfs/dbraw/zinc/11/74/01/1078117401.db2.gz PBZAUGKQOHNISE-QHCPKHFHSA-N 1 0 422.529 2.762 20 0 HFADRO Cc1cc(C)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1I ZINC000793290821 1078119516 /nfs/dbraw/zinc/11/95/16/1078119516.db2.gz IAFWZSJQCQRUDK-ZIAGYGMSSA-N 1 0 414.287 2.501 20 0 HFADRO COC1(C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCC(C)CC1 ZINC000793290255 1078119536 /nfs/dbraw/zinc/11/95/36/1078119536.db2.gz DNQCNFSDASTHJL-DBQDNQAGSA-N 1 0 403.976 2.889 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000793292114 1078120460 /nfs/dbraw/zinc/12/04/60/1078120460.db2.gz YNUOGYCGTKCWAY-JKSUJKDBSA-N 1 0 400.425 2.789 20 0 HFADRO NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000793294069 1078120478 /nfs/dbraw/zinc/12/04/78/1078120478.db2.gz DPILXYZBFRBZPX-FQEVSTJZSA-N 1 0 411.502 2.689 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H]3COC4(CCCC4)O3)cc2)CC1 ZINC000790801389 1078139174 /nfs/dbraw/zinc/13/91/74/1078139174.db2.gz QRBALIBZFJHLAA-HXUWFJFHSA-N 1 0 403.523 2.645 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)c2ncnc3c2c(Br)nn3C)c1 ZINC000790801322 1078139179 /nfs/dbraw/zinc/13/91/79/1078139179.db2.gz UCAFBXJAZOOOST-UHFFFAOYSA-N 1 0 419.327 2.703 20 0 HFADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000793359768 1078147187 /nfs/dbraw/zinc/14/71/87/1078147187.db2.gz XEGKJTIXOTXYAO-MRXNPFEDSA-N 1 0 418.538 2.659 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3COCCN3C3CCCC3)cc2F)CC1 ZINC000793402062 1078168031 /nfs/dbraw/zinc/16/80/31/1078168031.db2.gz HTQIYOZKCWTDHY-QFIPXVFZSA-N 1 0 418.557 2.938 20 0 HFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc(C3CC3)cnc2Cl)cc1 ZINC000793447702 1078173884 /nfs/dbraw/zinc/17/38/84/1078173884.db2.gz QDKBFLAHQVYSIL-UHFFFAOYSA-N 1 0 400.910 2.834 20 0 HFADRO Cc1cc(C)c(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C=O ZINC000793465899 1078181325 /nfs/dbraw/zinc/18/13/25/1078181325.db2.gz KFPICIWTOYBJEQ-HXUWFJFHSA-N 1 0 407.514 2.743 20 0 HFADRO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793481087 1078188361 /nfs/dbraw/zinc/18/83/61/1078188361.db2.gz CQDUWDZOWQLVPQ-XFXZXTDPSA-N 1 0 403.523 2.718 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1 ZINC000793519558 1078198143 /nfs/dbraw/zinc/19/81/43/1078198143.db2.gz QUWBJOMBFLBYFH-OAQYLSRUSA-N 1 0 408.502 2.593 20 0 HFADRO COc1cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c(Br)cn1 ZINC001170434054 1078201515 /nfs/dbraw/zinc/20/15/15/1078201515.db2.gz DVLHDOAYTSLIOP-MRXNPFEDSA-N 1 0 421.339 2.982 20 0 HFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc(C=O)c(C)cc2C)CC1 ZINC000793494388 1078202012 /nfs/dbraw/zinc/20/20/12/1078202012.db2.gz XBGWPUJLHYZAJL-UHFFFAOYSA-N 1 0 401.551 2.816 20 0 HFADRO COCC1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793497906 1078203142 /nfs/dbraw/zinc/20/31/42/1078203142.db2.gz KALPHEXVXDITHP-UHFFFAOYSA-N 1 0 423.598 2.985 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793560169 1078210289 /nfs/dbraw/zinc/21/02/89/1078210289.db2.gz FMDUOBWUTXBXQJ-UHFFFAOYSA-N 1 0 411.587 2.888 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(c1nccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170434875 1078210699 /nfs/dbraw/zinc/21/06/99/1078210699.db2.gz APQUZOVEKABLHD-OALUTQOASA-N 1 0 412.534 2.888 20 0 HFADRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000793566963 1078211653 /nfs/dbraw/zinc/21/16/53/1078211653.db2.gz GONBZYCYYBLNPH-OYHNWAKOSA-N 1 0 400.523 2.648 20 0 HFADRO CC[NH+](CC)CC(=O)N1CCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793582095 1078214457 /nfs/dbraw/zinc/21/44/57/1078214457.db2.gz ZUSJYQNNRFLZJM-UHFFFAOYSA-N 1 0 403.958 2.571 20 0 HFADRO COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1C ZINC000793603603 1078222250 /nfs/dbraw/zinc/22/22/50/1078222250.db2.gz CIPWSJORAZMRCE-JOCHJYFZSA-N 1 0 420.554 2.896 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000793635953 1078236308 /nfs/dbraw/zinc/23/63/08/1078236308.db2.gz JFTBBPQCDMVNKB-AUSIDOKSSA-N 1 0 423.557 2.946 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793642196 1078238874 /nfs/dbraw/zinc/23/88/74/1078238874.db2.gz JAABTLKFJGTSJO-QPXQOZNCSA-N 1 0 423.557 2.629 20 0 HFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793641708 1078239134 /nfs/dbraw/zinc/23/91/34/1078239134.db2.gz HRJZKSQFGPEFNR-OAHLLOKOSA-N 1 0 410.584 2.918 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000793651132 1078241718 /nfs/dbraw/zinc/24/17/18/1078241718.db2.gz KYUBYIQGTHYCIU-MSOLQXFVSA-N 1 0 409.571 2.735 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000793650513 1078242044 /nfs/dbraw/zinc/24/20/44/1078242044.db2.gz KZKQAUCYFUFYNO-PGRDOPGGSA-N 1 0 423.557 2.773 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793684112 1078254432 /nfs/dbraw/zinc/25/44/32/1078254432.db2.gz SOQOSFGMGLDMKT-PZJWPPBQSA-N 1 0 409.530 2.599 20 0 HFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793687636 1078256872 /nfs/dbraw/zinc/25/68/72/1078256872.db2.gz PIRBIPGAEURXMC-ZBFHGGJFSA-N 1 0 408.568 2.767 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1)[NH+]1CCCCC1 ZINC000793715473 1078262049 /nfs/dbraw/zinc/26/20/49/1078262049.db2.gz YVFCIWVYLZOUGG-OAHLLOKOSA-N 1 0 411.468 2.844 20 0 HFADRO COc1cccc(-c2ccc(CNC(=O)C(=O)NC[C@H](C)[NH+]3CCCCC3)cc2)c1 ZINC000793716696 1078263584 /nfs/dbraw/zinc/26/35/84/1078263584.db2.gz KXTFZROIYIBETC-SFHVURJKSA-N 1 0 409.530 2.969 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000793717714 1078263883 /nfs/dbraw/zinc/26/38/83/1078263883.db2.gz GXFKKFBBJAZWGM-FGZHOGPDSA-N 1 0 411.546 2.604 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC(CCc2ccc(O)cc2)CC1)[NH+]1CCCCC1 ZINC000793719400 1078264249 /nfs/dbraw/zinc/26/42/49/1078264249.db2.gz DRRVYUFFHOODOB-GOSISDBHSA-N 1 0 401.551 2.554 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000793698008 1078272497 /nfs/dbraw/zinc/27/24/97/1078272497.db2.gz SVIOAUSDELXBJU-WOJBJXKFSA-N 1 0 401.551 2.541 20 0 HFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793700935 1078273786 /nfs/dbraw/zinc/27/37/86/1078273786.db2.gz NBFJMPCJXDOYLY-HZPDHXFCSA-N 1 0 424.383 2.877 20 0 HFADRO C[C@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793700930 1078273803 /nfs/dbraw/zinc/27/38/03/1078273803.db2.gz NBFJMPCJXDOYLY-CVEARBPZSA-N 1 0 424.383 2.877 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000793706359 1078276188 /nfs/dbraw/zinc/27/61/88/1078276188.db2.gz CABCOOVTJNZSPM-GJZGRUSLSA-N 1 0 415.456 2.796 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)[NH+]1CCCCC1 ZINC000793706630 1078276996 /nfs/dbraw/zinc/27/69/96/1078276996.db2.gz CYMRJERCFLIRLL-INIZCTEOSA-N 1 0 414.481 2.620 20 0 HFADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)NCC1CCCCCCC1 ZINC000793754357 1078277843 /nfs/dbraw/zinc/27/78/43/1078277843.db2.gz MCIJVAJPYJNASY-QFIPXVFZSA-N 1 0 415.578 2.870 20 0 HFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C[C@@H]1C ZINC000793754915 1078278713 /nfs/dbraw/zinc/27/87/13/1078278713.db2.gz JAMKSICUBPVOKE-CPLUKWAASA-N 1 0 410.518 2.519 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@](C)(c4ccc(Cl)c(Cl)c4)C3=O)C2)C1 ZINC000793763227 1078281359 /nfs/dbraw/zinc/28/13/59/1078281359.db2.gz DKIPNUVAGSOWTD-RTBURBONSA-N 1 0 411.333 2.746 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000793738475 1078285733 /nfs/dbraw/zinc/28/57/33/1078285733.db2.gz RIMAKTKWDZSJQP-INIZCTEOSA-N 1 0 412.534 2.913 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000793739324 1078286235 /nfs/dbraw/zinc/28/62/35/1078286235.db2.gz YMVXADNEZHAKHM-WOJBJXKFSA-N 1 0 419.541 2.619 20 0 HFADRO Cc1cc(C)c(N2C[C@H](C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)CC2=O)c(C)c1 ZINC000747146236 1078289659 /nfs/dbraw/zinc/28/96/59/1078289659.db2.gz MLKNOQIXAHSLLU-MXEMCNAFSA-N 1 0 413.562 2.675 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000793781172 1078292410 /nfs/dbraw/zinc/29/24/10/1078292410.db2.gz FDFVMVAZWVOGRQ-LEWJYISDSA-N 1 0 415.578 2.993 20 0 HFADRO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793781442 1078292413 /nfs/dbraw/zinc/29/24/13/1078292413.db2.gz CIJYSDBZGWAEJO-IPJUCJBFSA-N 1 0 405.514 2.623 20 0 HFADRO Cc1cccc(OC[C@H](C)NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000793798847 1078302000 /nfs/dbraw/zinc/30/20/00/1078302000.db2.gz MCJMXSKOVOSXPC-HDYDNRTBSA-N 1 0 401.551 2.792 20 0 HFADRO C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000793803220 1078303239 /nfs/dbraw/zinc/30/32/39/1078303239.db2.gz WXXDHIYALYYVTG-HNNXBMFYSA-N 1 0 419.472 2.569 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000793790821 1078298060 /nfs/dbraw/zinc/29/80/60/1078298060.db2.gz NYBIYSUPRAWQNE-OTWHNJEPSA-N 1 0 401.551 2.648 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000793793326 1078298950 /nfs/dbraw/zinc/29/89/50/1078298950.db2.gz QDCJBNXUNHQDTP-QKNQBKEWSA-N 1 0 409.530 2.658 20 0 HFADRO CSC[C@H]1CCCN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797917 1078301268 /nfs/dbraw/zinc/30/12/68/1078301268.db2.gz RTXBNVMAPPQBCU-SIKLNZKXSA-N 1 0 416.591 2.606 20 0 HFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc(C3CC3)cnc2Cl)c1 ZINC000793819991 1078317073 /nfs/dbraw/zinc/31/70/73/1078317073.db2.gz ZGIYJXQTTYTREX-UHFFFAOYSA-N 1 0 422.938 2.705 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000793780916 1078310275 /nfs/dbraw/zinc/31/02/75/1078310275.db2.gz PCFHMALELYYTHV-ZRCGQRJVSA-N 1 0 423.557 2.905 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000793824591 1078317754 /nfs/dbraw/zinc/31/77/54/1078317754.db2.gz LKGPBECCRXWVJR-UHFFFAOYSA-N 1 0 414.594 2.697 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)Cc1ccn(-c2ccccc2)n1)c1ccco1 ZINC000793841264 1078311745 /nfs/dbraw/zinc/31/17/45/1078311745.db2.gz CZGSZHPWMFUMPR-FQEVSTJZSA-N 1 0 423.517 2.623 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2nc(C)sc21)c1ccco1 ZINC000793840869 1078311849 /nfs/dbraw/zinc/31/18/49/1078311849.db2.gz BFLVTFKJEUDGOP-CVEARBPZSA-N 1 0 404.536 2.737 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793845320 1078312782 /nfs/dbraw/zinc/31/27/82/1078312782.db2.gz YZALYCHSPYPDKA-OAQYLSRUSA-N 1 0 423.557 2.559 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)c2ccc(C)s2)c1 ZINC000793869421 1078328775 /nfs/dbraw/zinc/32/87/75/1078328775.db2.gz UPBLKZJAWKQLFE-INIZCTEOSA-N 1 0 403.548 2.833 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)[C@@H](C)C1 ZINC000793872430 1078329347 /nfs/dbraw/zinc/32/93/47/1078329347.db2.gz ABPILVYEKOYGKA-ROUUACIJSA-N 1 0 411.587 2.765 20 0 HFADRO C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793873908 1078330737 /nfs/dbraw/zinc/33/07/37/1078330737.db2.gz DJEQQBLRRGXYCR-KURKYZTESA-N 1 0 411.587 2.573 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000793932480 1078341448 /nfs/dbraw/zinc/34/14/48/1078341448.db2.gz UIJSOHBOXKJXNP-WBVHZDCISA-N 1 0 400.910 2.611 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)CCC2 ZINC000793911384 1078335710 /nfs/dbraw/zinc/33/57/10/1078335710.db2.gz BBAWYBKTHODBLZ-GRDNDAEWSA-N 1 0 406.596 2.818 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)C1 ZINC000793912649 1078335955 /nfs/dbraw/zinc/33/59/55/1078335955.db2.gz ZXAOPTLSSUQIGG-SQNIBIBYSA-N 1 0 421.607 2.789 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000793950642 1078344819 /nfs/dbraw/zinc/34/48/19/1078344819.db2.gz OZKFEACYBWWTHJ-IEBWSBKVSA-N 1 0 409.615 2.961 20 0 HFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793972808 1078350127 /nfs/dbraw/zinc/35/01/27/1078350127.db2.gz UUGQNZBSPAHHQE-NHCUHLMSSA-N 1 0 422.529 2.569 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793940580 1078352635 /nfs/dbraw/zinc/35/26/35/1078352635.db2.gz WASIKHDWGZMDAN-OYRHEFFESA-N 1 0 424.545 2.913 20 0 HFADRO Cn1ccnc1[C@](O)(CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)C(F)(F)F ZINC000747162685 1078355270 /nfs/dbraw/zinc/35/52/70/1078355270.db2.gz HSGSHYGQRRSUPM-LJQANCHMSA-N 1 0 410.440 2.586 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001170441684 1078356364 /nfs/dbraw/zinc/35/63/64/1078356364.db2.gz JKLCSFNCHBDDJB-QTGUNEKASA-N 1 0 400.519 2.744 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)c(F)cc1F ZINC000794049722 1078365647 /nfs/dbraw/zinc/36/56/47/1078365647.db2.gz CRLPWHLAHDZAHI-CQSZACIVSA-N 1 0 424.469 2.823 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)cc1 ZINC000794050403 1078366004 /nfs/dbraw/zinc/36/60/04/1078366004.db2.gz HIKBIXFXABZQCX-XZGNNNQISA-N 1 0 414.527 2.945 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CCOC[C@H]2NC(=O)N(C)C)CC1 ZINC001170443791 1078381142 /nfs/dbraw/zinc/38/11/42/1078381142.db2.gz QAJNQAIEALDOCT-GHTZIAJQSA-N 1 0 417.550 2.879 20 0 HFADRO Cc1c(NC(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)cccc1N1C(=O)CNC1=O ZINC000794276691 1078398992 /nfs/dbraw/zinc/39/89/92/1078398992.db2.gz RIPQAMLZNWYOBW-XFXZXTDPSA-N 1 0 422.485 2.644 20 0 HFADRO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000794292964 1078402562 /nfs/dbraw/zinc/40/25/62/1078402562.db2.gz MKULXOVWVYDHJU-MSOLQXFVSA-N 1 0 417.554 2.637 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(Cc1nn(C)c2c1CC[NH2+]C2)c1ncccn1 ZINC001170446251 1078423414 /nfs/dbraw/zinc/42/34/14/1078423414.db2.gz ZHUAAGBWCLPADG-QGZVFWFLSA-N 1 0 420.517 2.612 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)CC1 ZINC000794339817 1078419496 /nfs/dbraw/zinc/41/94/96/1078419496.db2.gz RNPRBMNGGHPSFZ-UHFFFAOYSA-N 1 0 401.898 2.701 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000794339465 1078419750 /nfs/dbraw/zinc/41/97/50/1078419750.db2.gz NWTMBKIEMRYPPY-QGZVFWFLSA-N 1 0 404.511 2.528 20 0 HFADRO COC(=O)c1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)cc1C(F)(F)F ZINC000804396161 1078452778 /nfs/dbraw/zinc/45/27/78/1078452778.db2.gz COBUTDWICQJXLW-UHFFFAOYSA-N 1 0 401.429 2.826 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3c(C)nc(C(C)C)[nH]c3=O)CC2)c1 ZINC000747205631 1078483183 /nfs/dbraw/zinc/48/31/83/1078483183.db2.gz CWQLAZYDMHQDFU-UHFFFAOYSA-N 1 0 411.550 2.865 20 0 HFADRO O=C(Cn1nnnc1-c1ccsc1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001129486347 1078506373 /nfs/dbraw/zinc/50/63/73/1078506373.db2.gz HSBRMFGMLBUXTA-SFHVURJKSA-N 1 0 410.547 2.820 20 0 HFADRO O=C1[C@H]([N@@H+]2CCC[C@H](N3CCOCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC001170451837 1078506521 /nfs/dbraw/zinc/50/65/21/1078506521.db2.gz OEXURPKDEHBKMW-PKOBYXMFSA-N 1 0 409.477 2.580 20 0 HFADRO Cc1ccccc1OCCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000804443040 1078508455 /nfs/dbraw/zinc/50/84/55/1078508455.db2.gz BEXIAEMYSFYRNN-UHFFFAOYSA-N 1 0 401.551 2.793 20 0 HFADRO O=C(c1cccc(C2OCCO2)c1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447947 1078514640 /nfs/dbraw/zinc/51/46/40/1078514640.db2.gz KBNYINAPOAEYMZ-QHCPKHFHSA-N 1 0 421.541 2.764 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCc1nc(C(C)C)no1 ZINC001129812670 1078510429 /nfs/dbraw/zinc/51/04/29/1078510429.db2.gz CWJWYFQYNUBZFI-RTBURBONSA-N 1 0 400.523 2.779 20 0 HFADRO CC[C@H](C)CC[C@@H](O)CC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804448998 1078515916 /nfs/dbraw/zinc/51/59/16/1078515916.db2.gz SXSSTALXIOCVKV-MDNUFGMLSA-N 1 0 401.595 2.982 20 0 HFADRO CCn1nc(C)c(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC000804448840 1078516712 /nfs/dbraw/zinc/51/67/12/1078516712.db2.gz QXMHZIMVQITXMS-LJQANCHMSA-N 1 0 415.969 2.897 20 0 HFADRO C[NH+]1CCC(CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)(N2CCOCC2)CC1 ZINC001129850863 1078533506 /nfs/dbraw/zinc/53/35/06/1078533506.db2.gz KHKLYVLTIABWLP-UHFFFAOYSA-N 1 0 419.875 2.885 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000804525223 1078563872 /nfs/dbraw/zinc/56/38/72/1078563872.db2.gz IVLBKGRWSSRGBG-JKSUJKDBSA-N 1 0 411.543 2.553 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000804524725 1078564350 /nfs/dbraw/zinc/56/43/50/1078564350.db2.gz VEKRXOLXTFGANG-DOTOQJQBSA-N 1 0 415.563 2.718 20 0 HFADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001129572176 1078564788 /nfs/dbraw/zinc/56/47/88/1078564788.db2.gz QONVJVCKIYGTMM-SFHVURJKSA-N 1 0 407.580 2.545 20 0 HFADRO COc1cccc2c1CC[C@H]2NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000804529199 1078566913 /nfs/dbraw/zinc/56/69/13/1078566913.db2.gz SKYMBMUHWDKBNX-BWKNWUBXSA-N 1 0 421.541 2.827 20 0 HFADRO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1C ZINC001129872703 1078569295 /nfs/dbraw/zinc/56/92/95/1078569295.db2.gz NHEUPGCECIFSGE-UHFFFAOYSA-N 1 0 422.529 2.581 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC(=O)c4ccccc43)cc2)CC1 ZINC001129873304 1078570073 /nfs/dbraw/zinc/57/00/73/1078570073.db2.gz YKYZHCDMFNYOKJ-QFIPXVFZSA-N 1 0 419.525 2.760 20 0 HFADRO Cc1cccc(C2N=NC(=S)N2CC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000804533742 1078571478 /nfs/dbraw/zinc/57/14/78/1078571478.db2.gz HLSZJVZHUZIUHM-UHFFFAOYSA-N 1 0 407.543 2.885 20 0 HFADRO COc1ccc(Cn2ncc3cc(C(=O)N(C)C[C@@H]4CCC[N@@H+]4C)cnc32)c(OC)c1 ZINC001129905218 1078577137 /nfs/dbraw/zinc/57/71/37/1078577137.db2.gz KHNNZCCEJZYYOX-IBGZPJMESA-N 1 0 423.517 2.663 20 0 HFADRO C[C@@]1(CC(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCS(=O)(=O)N1 ZINC001129606878 1078577277 /nfs/dbraw/zinc/57/72/77/1078577277.db2.gz CCXVTESZQUZVPW-IBGZPJMESA-N 1 0 413.971 2.631 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O ZINC000804565886 1078601714 /nfs/dbraw/zinc/60/17/14/1078601714.db2.gz HMXOORPQTOBUDR-UHFFFAOYSA-N 1 0 421.563 2.578 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804776017 1078601761 /nfs/dbraw/zinc/60/17/61/1078601761.db2.gz UBQYEPSXRCIPOS-SLFFLAALSA-N 1 0 410.518 2.569 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000804567495 1078601872 /nfs/dbraw/zinc/60/18/72/1078601872.db2.gz RVOKEIZAAPMQKH-UHFFFAOYSA-N 1 0 415.987 2.928 20 0 HFADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccc4c[nH+]cn4c3)cc2)CC1 ZINC001129665363 1078625892 /nfs/dbraw/zinc/62/58/92/1078625892.db2.gz CZUNOZHFWLGOIU-UHFFFAOYSA-N 1 0 412.515 2.685 20 0 HFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)sc2C1 ZINC001129951068 1078626406 /nfs/dbraw/zinc/62/64/06/1078626406.db2.gz HYKBWVGIMPCAFW-NXEZZACHSA-N 1 0 404.458 2.553 20 0 HFADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)CCn1nnc2ccccc2c1=O ZINC001129683784 1078647429 /nfs/dbraw/zinc/64/74/29/1078647429.db2.gz IWVMNAYIRWFXTM-GOSISDBHSA-N 1 0 407.518 2.782 20 0 HFADRO CCOC(=O)c1ncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)s1 ZINC001129971071 1078664579 /nfs/dbraw/zinc/66/45/79/1078664579.db2.gz SCTDKDYEVPJNJO-IAGOWNOFSA-N 1 0 417.531 2.587 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C(F)(F)F)nn1C ZINC001129970930 1078664601 /nfs/dbraw/zinc/66/46/01/1078664601.db2.gz LTFDTBGBBQXLCM-NVXWUHKLSA-N 1 0 410.440 2.706 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000804829414 1078669313 /nfs/dbraw/zinc/66/93/13/1078669313.db2.gz TYUMIHWWIFZHOL-HXUWFJFHSA-N 1 0 422.573 2.882 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000804832173 1078672829 /nfs/dbraw/zinc/67/28/29/1078672829.db2.gz WZYBONUVHFVBHT-UHFFFAOYSA-N 1 0 410.562 2.869 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)C(F)(F)c2c(F)cccc2F)CC1 ZINC000804625967 1078677519 /nfs/dbraw/zinc/67/75/19/1078677519.db2.gz AEZQMCUJBBGVTC-UHFFFAOYSA-N 1 0 406.420 2.642 20 0 HFADRO COC(=O)c1cnc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804625837 1078678541 /nfs/dbraw/zinc/67/85/41/1078678541.db2.gz GLCBRBAPZNEVNT-HXUWFJFHSA-N 1 0 423.435 2.960 20 0 HFADRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)CC1 ZINC001170469701 1078686872 /nfs/dbraw/zinc/68/68/72/1078686872.db2.gz ZTWCCQLPNVAEJY-UHFFFAOYSA-N 1 0 419.591 2.916 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[NH+]1CCN(c3cccc(F)n3)CC1)O2 ZINC001170469852 1078691777 /nfs/dbraw/zinc/69/17/77/1078691777.db2.gz SBQQVULQDSJLIB-INIZCTEOSA-N 1 0 406.502 2.511 20 0 HFADRO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C)n1Cc1ccccc1 ZINC000804644333 1078698222 /nfs/dbraw/zinc/69/82/22/1078698222.db2.gz HKXOONBNHUVRLK-FRIKZZABSA-N 1 0 422.573 2.967 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000804645727 1078701645 /nfs/dbraw/zinc/70/16/45/1078701645.db2.gz XBHGWRYIURJUMD-QWFCFKBJSA-N 1 0 407.555 2.537 20 0 HFADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747224031 1078735757 /nfs/dbraw/zinc/73/57/57/1078735757.db2.gz ODGAFLTUDGKBOA-MRXNPFEDSA-N 1 0 406.621 2.778 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000804902071 1078758497 /nfs/dbraw/zinc/75/84/97/1078758497.db2.gz SNOBJSJFIIRWNO-JQVVWYNYSA-N 1 0 403.567 2.949 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000804904053 1078759710 /nfs/dbraw/zinc/75/97/10/1078759710.db2.gz UHPZRSSKBQHDTL-VQIMIIECSA-N 1 0 413.440 2.961 20 0 HFADRO Cc1nc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Br)n1C ZINC000804951843 1078778963 /nfs/dbraw/zinc/77/89/63/1078778963.db2.gz BPZOJEXLTWKHMA-BETUJISGSA-N 1 0 421.405 2.527 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000804953857 1078781609 /nfs/dbraw/zinc/78/16/09/1078781609.db2.gz BESADFTZUKWLII-QFIPXVFZSA-N 1 0 424.586 2.531 20 0 HFADRO Cc1nc(S(=O)(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(Br)n1C ZINC000804963397 1078801493 /nfs/dbraw/zinc/80/14/93/1078801493.db2.gz UTMKUXWLSXRZDE-MBNYWOFBSA-N 1 0 419.389 2.517 20 0 HFADRO COC(=O)N1CCC(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000805050987 1078863806 /nfs/dbraw/zinc/86/38/06/1078863806.db2.gz HHEPFTQQDHCNKZ-QFIPXVFZSA-N 1 0 400.523 2.525 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000805070264 1078879516 /nfs/dbraw/zinc/87/95/16/1078879516.db2.gz IPPVKOQWLWFCCE-CRAIPNDOSA-N 1 0 401.429 2.735 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000805110837 1078895097 /nfs/dbraw/zinc/89/50/97/1078895097.db2.gz KWCBHLSQTQIDQN-PWSUYJOCSA-N 1 0 408.749 2.745 20 0 HFADRO CC[C@@H]1CC([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170475364 1078917597 /nfs/dbraw/zinc/91/75/97/1078917597.db2.gz PEXBPMVOIVIGPK-USXIJHARSA-N 1 0 403.589 2.567 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000805139355 1078936651 /nfs/dbraw/zinc/93/66/51/1078936651.db2.gz REGHGKLGRLFQLE-OFNKIYASSA-N 1 0 414.594 2.619 20 0 HFADRO O=C(CCOc1ccc(Cl)cc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747229537 1078938193 /nfs/dbraw/zinc/93/81/93/1078938193.db2.gz KCCMKQCHMGOBDO-ZIAGYGMSSA-N 1 0 417.731 2.851 20 0 HFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCOc1ccccc1I ZINC001130098024 1078947954 /nfs/dbraw/zinc/94/79/54/1078947954.db2.gz JGXFZZRMQFWVSR-CYBMUJFWSA-N 1 0 402.276 2.613 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000805176745 1078962087 /nfs/dbraw/zinc/96/20/87/1078962087.db2.gz NQIJCEXIWYRWOD-PXNSSMCTSA-N 1 0 402.539 2.817 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000805181222 1078965252 /nfs/dbraw/zinc/96/52/52/1078965252.db2.gz SMNVYHWVHZVOEQ-GOSISDBHSA-N 1 0 422.017 2.618 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805185100 1078965664 /nfs/dbraw/zinc/96/56/64/1078965664.db2.gz SAIOZMOUGZRYJQ-QFIPXVFZSA-N 1 0 424.586 2.530 20 0 HFADRO COC[C@@]1(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000805191842 1078968568 /nfs/dbraw/zinc/96/85/68/1078968568.db2.gz RNKXDUAAYXWWNV-KKSFZXQISA-N 1 0 414.591 2.678 20 0 HFADRO CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000805301331 1078995952 /nfs/dbraw/zinc/99/59/52/1078995952.db2.gz LDHZHBYLDYMFAU-SIKLNZKXSA-N 1 0 400.523 2.525 20 0 HFADRO CC(C)CN1N=C(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CCC1=O ZINC000805276514 1079005643 /nfs/dbraw/zinc/00/56/43/1079005643.db2.gz GURBHQDRHNGIJA-HXUWFJFHSA-N 1 0 402.539 2.827 20 0 HFADRO CCOC(=O)N1CCC([C@H](C)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000805314632 1079015427 /nfs/dbraw/zinc/01/54/27/1079015427.db2.gz OHPWHAXPSNPFAI-KRWDZBQOSA-N 1 0 408.543 3.000 20 0 HFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1c2c(nn1C)CCC2 ZINC001130169597 1079050292 /nfs/dbraw/zinc/05/02/92/1079050292.db2.gz VFKATKDQTPRDBC-UHFFFAOYSA-N 1 0 420.355 2.921 20 0 HFADRO CC[C@@H]1CN(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)S1(=O)=O ZINC000805437010 1079063833 /nfs/dbraw/zinc/06/38/33/1079063833.db2.gz FTUGRGYREZRZFB-DSKINZAPSA-N 1 0 407.580 2.506 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000805453120 1079101963 /nfs/dbraw/zinc/10/19/63/1079101963.db2.gz PLQZGFXDXSOGQT-LJQANCHMSA-N 1 0 409.958 2.576 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000747246933 1079122520 /nfs/dbraw/zinc/12/25/20/1079122520.db2.gz YKLDKXNWMOGMAR-RMKNXTFCSA-N 1 0 424.588 2.513 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCCCn2ccnc2C)c(Cl)cc1Cl ZINC000747248313 1079143590 /nfs/dbraw/zinc/14/35/90/1079143590.db2.gz NARHWHIJWTVVOZ-UHFFFAOYSA-N 1 0 406.291 2.654 20 0 HFADRO C[C@H](OC(=O)C(C)(C)N1CCCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000805610687 1079174567 /nfs/dbraw/zinc/17/45/67/1079174567.db2.gz IKJMKWKEYVLYDQ-SFHVURJKSA-N 1 0 401.551 2.573 20 0 HFADRO COC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000747261264 1079199485 /nfs/dbraw/zinc/19/94/85/1079199485.db2.gz LIDQRUZIVJJLAQ-UHFFFAOYSA-N 1 0 404.532 2.972 20 0 HFADRO CCOC(=O)c1ccnc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1C ZINC001170485948 1079203742 /nfs/dbraw/zinc/20/37/42/1079203742.db2.gz FZHCHYYMZYERJF-WWDZGPRUSA-N 1 0 410.518 2.938 20 0 HFADRO C[C@H](OC(=O)C[C@@H](O)CC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000805726016 1079237705 /nfs/dbraw/zinc/23/77/05/1079237705.db2.gz IYHSNKOPCMYLGP-FXAWDEMLSA-N 1 0 404.551 2.886 20 0 HFADRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CC(=O)N1CCC2(CC1)OCCO2 ZINC000805772250 1079246248 /nfs/dbraw/zinc/24/62/48/1079246248.db2.gz HSJHZTPLDKGEOG-OAHLLOKOSA-N 1 0 400.441 2.934 20 0 HFADRO C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805790517 1079257138 /nfs/dbraw/zinc/25/71/38/1079257138.db2.gz ATVVYRHTJDONQO-WOJBJXKFSA-N 1 0 402.535 2.966 20 0 HFADRO COc1nc(C)cc(C)c1C[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805758707 1079260743 /nfs/dbraw/zinc/26/07/43/1079260743.db2.gz OVIFMNCRIPTQKH-GOSISDBHSA-N 1 0 404.555 2.834 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805763876 1079265551 /nfs/dbraw/zinc/26/55/51/1079265551.db2.gz YAGCLSKOLDISCD-KRWDZBQOSA-N 1 0 400.516 2.932 20 0 HFADRO C[C@@H]1[C@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)[C@@H](C)C[N@@H+]1C ZINC001130368839 1079266400 /nfs/dbraw/zinc/26/64/00/1079266400.db2.gz BJFUWNQLUJMYOF-KSZLIROESA-N 1 0 407.580 2.804 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000805766875 1079269889 /nfs/dbraw/zinc/26/98/89/1079269889.db2.gz CWPHZWPOIRWWQY-MOXWOTFGSA-N 1 0 400.567 2.797 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000805801508 1079280516 /nfs/dbraw/zinc/28/05/16/1079280516.db2.gz ZXOBPKJUOCFBKU-IRXDYDNUSA-N 1 0 412.575 2.527 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(Cl)cc1Cl ZINC000747273349 1079303880 /nfs/dbraw/zinc/30/38/80/1079303880.db2.gz MEPNUBIRHVGWRD-NSHDSACASA-N 1 0 409.335 2.742 20 0 HFADRO CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000805856418 1079304649 /nfs/dbraw/zinc/30/46/49/1079304649.db2.gz ZCISZNXTCINWEF-UHFFFAOYSA-N 1 0 400.500 2.946 20 0 HFADRO COC(=O)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@H](OC)C1 ZINC001130411673 1079313096 /nfs/dbraw/zinc/31/30/96/1079313096.db2.gz YZXPPJXZZCVTTR-MXEMCNAFSA-N 1 0 402.535 2.762 20 0 HFADRO COC(=O)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[C@H](OC)C1 ZINC001130411672 1079313187 /nfs/dbraw/zinc/31/31/87/1079313187.db2.gz YZXPPJXZZCVTTR-JSXRDJHFSA-N 1 0 402.535 2.762 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)C1 ZINC001130416938 1079334980 /nfs/dbraw/zinc/33/49/80/1079334980.db2.gz GRBHQFVDATWGPF-UHFFFAOYSA-N 1 0 403.567 2.673 20 0 HFADRO CC(=O)Nc1cc2c(cc1-n1ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc1)OCO2 ZINC001170493827 1079358314 /nfs/dbraw/zinc/35/83/14/1079358314.db2.gz SUJOSKGSVSWKSX-ODIFPOPNSA-N 1 0 424.501 2.745 20 0 HFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)C1 ZINC001130474998 1079387847 /nfs/dbraw/zinc/38/78/47/1079387847.db2.gz FSYXAFLIHSDAQC-FCEWJHQRSA-N 1 0 403.523 2.814 20 0 HFADRO O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000747301082 1079434312 /nfs/dbraw/zinc/43/43/12/1079434312.db2.gz PEDNOHWIQHTRSM-QGZVFWFLSA-N 1 0 401.429 2.792 20 0 HFADRO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519869 1079451513 /nfs/dbraw/zinc/45/15/13/1079451513.db2.gz YLAMMFPOTUSLGT-SJORKVTESA-N 1 0 423.579 2.519 20 0 HFADRO CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130529663 1079465833 /nfs/dbraw/zinc/46/58/33/1079465833.db2.gz XIVSETQPSDXLFR-PMACEKPBSA-N 1 0 402.535 2.858 20 0 HFADRO Clc1ccc2c(n1)CC[C@@H]2[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000806147602 1079467478 /nfs/dbraw/zinc/46/74/78/1079467478.db2.gz YVXXXXIOMBKUFK-WBVHZDCISA-N 1 0 414.941 2.608 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)cc2)CC1 ZINC000806155038 1079470025 /nfs/dbraw/zinc/47/00/25/1079470025.db2.gz LUWVCCCJCXBXRZ-CRAIPNDOSA-N 1 0 414.472 2.853 20 0 HFADRO Cc1cccc(F)c1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000806204174 1079490567 /nfs/dbraw/zinc/49/05/67/1079490567.db2.gz CXPPZYCJHZNUID-UHFFFAOYSA-N 1 0 407.555 2.618 20 0 HFADRO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000787334756 1076746081 /nfs/dbraw/zinc/74/60/81/1076746081.db2.gz DOMVUSGEVOCJHC-UHFFFAOYSA-N 1 0 421.538 2.547 20 0 HFADRO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C(C)(C)C1 ZINC000746676125 1076749490 /nfs/dbraw/zinc/74/94/90/1076749490.db2.gz SNXMDFFUZMWHIM-INIZCTEOSA-N 1 0 420.579 2.996 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@@H](C)C1 ZINC000787301662 1076749582 /nfs/dbraw/zinc/74/95/82/1076749582.db2.gz CBIXICIIMRNXTL-HRAATJIYSA-N 1 0 415.534 2.978 20 0 HFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000746676228 1076750761 /nfs/dbraw/zinc/75/07/61/1076750761.db2.gz IGSXRFKQLVVJAJ-XMSQKQJNSA-N 1 0 402.560 2.720 20 0 HFADRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000787310495 1076757155 /nfs/dbraw/zinc/75/71/55/1076757155.db2.gz YDYMEPMEEHCUEL-CSODHUTKSA-N 1 0 418.563 2.529 20 0 HFADRO C[C@@H](NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000787312321 1076758360 /nfs/dbraw/zinc/75/83/60/1076758360.db2.gz LMSTXIVBJQZTJG-GOSISDBHSA-N 1 0 414.550 2.985 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000787323189 1076766954 /nfs/dbraw/zinc/76/69/54/1076766954.db2.gz ARYNJTNROFFFOW-AOIWGVFYSA-N 1 0 424.586 2.527 20 0 HFADRO COC1(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000787337559 1076783212 /nfs/dbraw/zinc/78/32/12/1076783212.db2.gz RIASGNZDNHKONC-UHFFFAOYSA-N 1 0 419.566 2.823 20 0 HFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787392999 1076806035 /nfs/dbraw/zinc/80/60/35/1076806035.db2.gz FSKHECOXIGVGPI-CVEARBPZSA-N 1 0 405.543 2.690 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CCCN(CC)C(=O)C3)cc2Cl)CC1 ZINC000787399685 1076807910 /nfs/dbraw/zinc/80/79/10/1076807910.db2.gz ZQKBRQANBQAKOP-UHFFFAOYSA-N 1 0 421.973 2.958 20 0 HFADRO Cc1cc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cnc1Br ZINC000787434845 1076822913 /nfs/dbraw/zinc/82/29/13/1076822913.db2.gz VRLFTHYWTZOOGG-UHFFFAOYSA-N 1 0 410.360 2.644 20 0 HFADRO CCOCc1ccccc1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000787514207 1076831458 /nfs/dbraw/zinc/83/14/58/1076831458.db2.gz OGEJUDXQVSXRTD-UHFFFAOYSA-N 1 0 401.551 2.753 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C)[NH+]1CCCCC1 ZINC000787471695 1076835011 /nfs/dbraw/zinc/83/50/11/1076835011.db2.gz VVTODVOVSLXUPX-GFCCVEGCSA-N 1 0 409.943 2.731 20 0 HFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787483801 1076841868 /nfs/dbraw/zinc/84/18/68/1076841868.db2.gz TZKUUIKRKVCSQN-RDJZCZTQSA-N 1 0 419.570 2.936 20 0 HFADRO C[NH+](C)CC1(CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CCCC1 ZINC000787519007 1076844932 /nfs/dbraw/zinc/84/49/32/1076844932.db2.gz FBOXUZMNJXWJSC-MRXNPFEDSA-N 1 0 419.570 2.986 20 0 HFADRO C[NH+](C)CC1(CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CCCC1 ZINC000787519000 1076844937 /nfs/dbraw/zinc/84/49/37/1076844937.db2.gz FBOXUZMNJXWJSC-INIZCTEOSA-N 1 0 419.570 2.986 20 0 HFADRO COCc1cccc(CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000787518321 1076845195 /nfs/dbraw/zinc/84/51/95/1076845195.db2.gz HDFXUENZFKTTIB-UHFFFAOYSA-N 1 0 401.551 2.610 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000787534755 1076851690 /nfs/dbraw/zinc/85/16/90/1076851690.db2.gz WCLQIZHOTDFRIN-UHFFFAOYSA-N 1 0 403.976 2.784 20 0 HFADRO C[NH+](C)[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1ccc(Cl)cc1 ZINC000746696913 1076866969 /nfs/dbraw/zinc/86/69/69/1076866969.db2.gz BRNXZPNEHTYCCY-MRXNPFEDSA-N 1 0 416.330 2.674 20 0 HFADRO CN1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2Br)CC1 ZINC000787577580 1076870545 /nfs/dbraw/zinc/87/05/45/1076870545.db2.gz XJYXLZOCVQIYGL-GOSISDBHSA-N 1 0 407.356 2.766 20 0 HFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787580105 1076870888 /nfs/dbraw/zinc/87/08/88/1076870888.db2.gz CBFLCUJKEAESAW-CVEARBPZSA-N 1 0 405.543 2.690 20 0 HFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787580106 1076870983 /nfs/dbraw/zinc/87/09/83/1076870983.db2.gz CBFLCUJKEAESAW-HOTGVXAUSA-N 1 0 405.543 2.690 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000787604995 1076875061 /nfs/dbraw/zinc/87/50/61/1076875061.db2.gz RBFQMRXULYSAJP-ZDUSSCGKSA-N 1 0 413.490 2.652 20 0 HFADRO CC1(C)COC(c2ccccc2N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)=N1 ZINC001170075466 1076876339 /nfs/dbraw/zinc/87/63/39/1076876339.db2.gz ZJDPVYBCBXMIPV-UHFFFAOYSA-N 1 0 424.526 2.944 20 0 HFADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)[NH+]1CCC(C)CC1 ZINC000787616157 1076879544 /nfs/dbraw/zinc/87/95/44/1076879544.db2.gz LPGJSHSAXSAAOV-XUVXKRRUSA-N 1 0 419.566 2.567 20 0 HFADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000787621505 1076881916 /nfs/dbraw/zinc/88/19/16/1076881916.db2.gz HLGMXVSCOBGJIQ-CEQLMSFQSA-N 1 0 412.534 2.744 20 0 HFADRO CC[C@H](CNC(=O)C(=O)N[C@H](C)COc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000787631195 1076883975 /nfs/dbraw/zinc/88/39/75/1076883975.db2.gz ISHJHFDQRXPWDZ-WIYYLYMNSA-N 1 0 409.530 2.523 20 0 HFADRO Cc1csc([C@](O)(CC(=O)OCCCN2CC[NH+](C(C)C)CC2)C(F)(F)F)n1 ZINC000787605306 1076889437 /nfs/dbraw/zinc/88/94/37/1076889437.db2.gz AOCLOPZNWWHKDM-QGZVFWFLSA-N 1 0 423.501 2.551 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccoc1COc1ccc(C=O)cc1 ZINC000787681386 1076909176 /nfs/dbraw/zinc/90/91/76/1076909176.db2.gz BTCLQQBKEKQQCG-QGZVFWFLSA-N 1 0 412.486 2.996 20 0 HFADRO COc1cccc(N2CC[NH+]([C@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)c1 ZINC000787684372 1076910374 /nfs/dbraw/zinc/91/03/74/1076910374.db2.gz AAQVVZSWLLCLHS-UGKGYDQZSA-N 1 0 405.539 2.578 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)C1CCCCC1 ZINC000787686787 1076911821 /nfs/dbraw/zinc/91/18/21/1076911821.db2.gz GOXLABJCPVUPCI-RTBURBONSA-N 1 0 421.607 2.933 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1)C1CCCCC1 ZINC000787692227 1076914181 /nfs/dbraw/zinc/91/41/81/1076914181.db2.gz UOHXRFOQKNMWRV-OAQYLSRUSA-N 1 0 419.541 2.621 20 0 HFADRO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000787692844 1076914762 /nfs/dbraw/zinc/91/47/62/1076914762.db2.gz XVRDDIYQMPYTNM-ZJSXRUAMSA-N 1 0 403.530 2.635 20 0 HFADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C1 ZINC000787707469 1076919787 /nfs/dbraw/zinc/91/97/87/1076919787.db2.gz FVCBLDLSISYNSU-KCXPTXFHSA-N 1 0 411.587 2.764 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)C1 ZINC000787710048 1076921682 /nfs/dbraw/zinc/92/16/82/1076921682.db2.gz ZPHSOUXREWXAHL-RDGPPVDQSA-N 1 0 421.607 2.647 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000787760401 1076929625 /nfs/dbraw/zinc/92/96/25/1076929625.db2.gz ILLWGWQDBOEGON-HRCADAONSA-N 1 0 411.568 2.776 20 0 HFADRO CCOC(=O)N1CCC([NH2+][C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000787764027 1076930880 /nfs/dbraw/zinc/93/08/80/1076930880.db2.gz XFRHXWGEFMWMFN-MSOLQXFVSA-N 1 0 411.543 2.611 20 0 HFADRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000787731503 1076933717 /nfs/dbraw/zinc/93/37/17/1076933717.db2.gz RZDCLWWAVBTYPK-QFIPXVFZSA-N 1 0 400.523 2.828 20 0 HFADRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)C1(F)F ZINC000787776158 1076943129 /nfs/dbraw/zinc/94/31/29/1076943129.db2.gz NEPODUAZBYTFDH-RISCZKNCSA-N 1 0 405.239 2.730 20 0 HFADRO CC(C)[C@@H](OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCOCC1 ZINC000772708088 1076956162 /nfs/dbraw/zinc/95/61/62/1076956162.db2.gz CENVWNKDAUQZPS-HXUWFJFHSA-N 1 0 402.535 2.715 20 0 HFADRO Cc1cc(N2CC[C@H](OC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC000772707929 1076963468 /nfs/dbraw/zinc/96/34/68/1076963468.db2.gz AIQNELDHSYEZCL-IBGZPJMESA-N 1 0 410.518 2.679 20 0 HFADRO COc1cc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)ccc1OC(C)C ZINC000787869297 1076966645 /nfs/dbraw/zinc/96/66/45/1076966645.db2.gz BAQARPIWJKNDDH-IAGOWNOFSA-N 1 0 405.539 2.650 20 0 HFADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)cnc2Cl)[NH+]2CCCC2)cc1 ZINC000787873922 1076970581 /nfs/dbraw/zinc/97/05/81/1076970581.db2.gz PHWILQZXSDVQCC-SFHVURJKSA-N 1 0 416.909 2.944 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000787882660 1076975608 /nfs/dbraw/zinc/97/56/08/1076975608.db2.gz BBXQPEHUXZRPRS-UHFFFAOYSA-N 1 0 416.909 2.773 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000787884302 1076976695 /nfs/dbraw/zinc/97/66/95/1076976695.db2.gz UISMSGRWPXWAMJ-GOSISDBHSA-N 1 0 418.538 2.593 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000787893170 1076981141 /nfs/dbraw/zinc/98/11/41/1076981141.db2.gz CNXIJLMBYYPJIO-UHFFFAOYSA-N 1 0 414.594 2.662 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1C ZINC000787905665 1076989236 /nfs/dbraw/zinc/98/92/36/1076989236.db2.gz ZALUYIORVHUBAW-NRFANRHFSA-N 1 0 414.594 2.723 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000787907823 1076990401 /nfs/dbraw/zinc/99/04/01/1076990401.db2.gz BAUWNILEXGFTRD-UFYCRDLUSA-N 1 0 403.567 2.753 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)CCC2 ZINC000787913039 1076992884 /nfs/dbraw/zinc/99/28/84/1076992884.db2.gz UXJAHEKSAZRINT-HKUYNNGSSA-N 1 0 403.571 2.586 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000787919868 1076997421 /nfs/dbraw/zinc/99/74/21/1076997421.db2.gz MFWUXKCYVPRKID-UHFFFAOYSA-N 1 0 410.490 2.911 20 0 HFADRO CN(C(=O)COC(=O)c1ccnc(OCC[NH+](C)C)c1)[C@H]1CCCc2ccccc21 ZINC000787969044 1077012081 /nfs/dbraw/zinc/01/20/81/1077012081.db2.gz YLUWESLYQUPWFD-FQEVSTJZSA-N 1 0 411.502 2.715 20 0 HFADRO COc1ccc(OC)c2c1CN(C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C[C@H]2O ZINC000788011479 1077027802 /nfs/dbraw/zinc/02/78/02/1077027802.db2.gz JSYXXIGZMYWWKM-TZIWHRDSSA-N 1 0 412.530 2.844 20 0 HFADRO CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCCC[NH+]1CCCC1 ZINC000787988641 1077033761 /nfs/dbraw/zinc/03/37/61/1077033761.db2.gz LAVZRPPYFYUTBV-QHCPKHFHSA-N 1 0 413.518 2.651 20 0 HFADRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000788038962 1077037105 /nfs/dbraw/zinc/03/71/05/1077037105.db2.gz AHXPZZYUDDATJS-OAHLLOKOSA-N 1 0 417.597 2.580 20 0 HFADRO O=C1C(=O)N(CN2CC[C@H]([NH+]3CC=CC3)C2)c2ccc(Br)c(Cl)c21 ZINC000788049522 1077041612 /nfs/dbraw/zinc/04/16/12/1077041612.db2.gz WPXYFJGYOAACET-NSHDSACASA-N 1 0 410.699 2.535 20 0 HFADRO COC(=O)NCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCCC2)s1 ZINC000788062539 1077046317 /nfs/dbraw/zinc/04/63/17/1077046317.db2.gz PMUCPHHKCMFFCJ-UHFFFAOYSA-N 1 0 417.597 2.532 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CC(C)(C)CC(C)=O)CC2)cc1 ZINC000788148530 1077065248 /nfs/dbraw/zinc/06/52/48/1077065248.db2.gz KIYQSPQBGMXCJR-UHFFFAOYSA-N 1 0 418.534 2.668 20 0 HFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2ccc(C3SCCCS3)cc2)C1 ZINC000788210990 1077079956 /nfs/dbraw/zinc/07/99/56/1077079956.db2.gz XBQFRKXFABDXAX-HXUWFJFHSA-N 1 0 410.605 2.849 20 0 HFADRO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000788241695 1077085153 /nfs/dbraw/zinc/08/51/53/1077085153.db2.gz NAXXKAMXUOGGFJ-MSOLQXFVSA-N 1 0 411.568 2.781 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000788256652 1077087799 /nfs/dbraw/zinc/08/77/99/1077087799.db2.gz VVDVDMKKSOCHLQ-OJAHFUOMSA-N 1 0 419.566 2.736 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788258861 1077088152 /nfs/dbraw/zinc/08/81/52/1077088152.db2.gz YFJPQJVNOBFXPS-ROUUACIJSA-N 1 0 417.616 2.864 20 0 HFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788305249 1077093022 /nfs/dbraw/zinc/09/30/22/1077093022.db2.gz ONZXRRPLLKEDAP-UIFIKXQLSA-N 1 0 424.545 2.672 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc(Br)n[nH]3)cc2)C[C@H](C)O1 ZINC000788282553 1077097424 /nfs/dbraw/zinc/09/74/24/1077097424.db2.gz ZNISFZRSIYDHFG-BETUJISGSA-N 1 0 407.312 2.711 20 0 HFADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@@H]1c1ccccc1 ZINC000788288190 1077098891 /nfs/dbraw/zinc/09/88/91/1077098891.db2.gz ZDXVQFGXXWZZJN-UXHICEINSA-N 1 0 417.531 2.677 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000788338010 1077106738 /nfs/dbraw/zinc/10/67/38/1077106738.db2.gz FHXKIXFNALEEML-UHFFFAOYSA-N 1 0 422.957 2.986 20 0 HFADRO Cn1ccc2cccc(NC(=O)C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)c21 ZINC000788339834 1077108713 /nfs/dbraw/zinc/10/87/13/1077108713.db2.gz AGFNHEFANSPNLI-UHFFFAOYSA-N 1 0 405.502 2.897 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000788341058 1077109471 /nfs/dbraw/zinc/10/94/71/1077109471.db2.gz NGSQQOVISWVVOR-RTBURBONSA-N 1 0 416.566 2.573 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 ZINC000788346295 1077112655 /nfs/dbraw/zinc/11/26/55/1077112655.db2.gz XWTDQXNAJAKFQE-UHFFFAOYSA-N 1 0 418.607 2.821 20 0 HFADRO Cc1nc(-c2ccc(Br)cc2Cl)nn1C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000788380576 1077136003 /nfs/dbraw/zinc/13/60/03/1077136003.db2.gz CPHPMERJXPBQIW-QGZVFWFLSA-N 1 0 424.730 2.839 20 0 HFADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NCCSC(C)(C)C)CC2)cc1 ZINC000788380393 1077136033 /nfs/dbraw/zinc/13/60/33/1077136033.db2.gz QFKXTBMTSUPXDN-UHFFFAOYSA-N 1 0 421.607 2.671 20 0 HFADRO O=c1c(Br)nn(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c2ccccc12 ZINC000788380324 1077136131 /nfs/dbraw/zinc/13/61/31/1077136131.db2.gz FRPZVZYBNSRZOD-CQSZACIVSA-N 1 0 401.264 2.665 20 0 HFADRO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788436892 1077146156 /nfs/dbraw/zinc/14/61/56/1077146156.db2.gz OPPQZVSWYDFAQO-HZPDHXFCSA-N 1 0 400.527 2.904 20 0 HFADRO Cc1ccc(O[C@@H](C)CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000788414216 1077157697 /nfs/dbraw/zinc/15/76/97/1077157697.db2.gz VMBZKCNYOCIYAH-NBGIEHNGSA-N 1 0 423.557 2.907 20 0 HFADRO COc1ccc([C@H](CNc2ccnc(C(=O)N3CCCCC3)c2)[NH+](C)C)cc1OC ZINC000788450785 1077163518 /nfs/dbraw/zinc/16/35/18/1077163518.db2.gz YUEHAGTYLQAHQR-FQEVSTJZSA-N 1 0 412.534 2.862 20 0 HFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1 ZINC000788464062 1077168367 /nfs/dbraw/zinc/16/83/67/1077168367.db2.gz MNBPIIOTJPWBSM-QFIPXVFZSA-N 1 0 409.530 2.649 20 0 HFADRO C[NH+]1CCC(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000788471810 1077170338 /nfs/dbraw/zinc/17/03/38/1077170338.db2.gz UDZQOVJVAPSPHQ-UHFFFAOYSA-N 1 0 406.379 2.642 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788505552 1077185541 /nfs/dbraw/zinc/18/55/41/1077185541.db2.gz HPQZLYCEYIKFGU-HZPDHXFCSA-N 1 0 410.511 2.872 20 0 HFADRO O=S(=O)(Cc1ccccc1C[NH2+][C@@H]1CCc2ccc(Cl)nc21)N1CCOCC1 ZINC000788526838 1077202606 /nfs/dbraw/zinc/20/26/06/1077202606.db2.gz FVZQTFWMIHYMCM-GOSISDBHSA-N 1 0 421.950 2.674 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC000788535799 1077205404 /nfs/dbraw/zinc/20/54/04/1077205404.db2.gz GBTQGCWKEVJZQJ-UHFFFAOYSA-N 1 0 401.548 2.706 20 0 HFADRO C[C@H](OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000772722214 1077211465 /nfs/dbraw/zinc/21/14/65/1077211465.db2.gz LENYJFLDZBXOHC-HNNXBMFYSA-N 1 0 422.489 2.525 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000788587914 1077213469 /nfs/dbraw/zinc/21/34/69/1077213469.db2.gz KSPUJEFQNIAVST-ZDUSSCGKSA-N 1 0 414.344 2.988 20 0 HFADRO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1nc(Br)ccc1F ZINC000788593286 1077215876 /nfs/dbraw/zinc/21/58/76/1077215876.db2.gz ODRZYMIFDQTOQX-GFCCVEGCSA-N 1 0 401.324 2.577 20 0 HFADRO CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000788594689 1077216782 /nfs/dbraw/zinc/21/67/82/1077216782.db2.gz XPQDSQPLKCJUQJ-IBGZPJMESA-N 1 0 416.566 2.572 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1Cl ZINC000788653186 1077227201 /nfs/dbraw/zinc/22/72/01/1077227201.db2.gz QHEGBIXOPHOVIF-RYUDHWBXSA-N 1 0 406.957 2.601 20 0 HFADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)CC1 ZINC000788618858 1077230551 /nfs/dbraw/zinc/23/05/51/1077230551.db2.gz BJIFCERMGFIHPG-WOJBJXKFSA-N 1 0 420.579 2.527 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)=NO1 ZINC000788621919 1077232178 /nfs/dbraw/zinc/23/21/78/1077232178.db2.gz ZBVNHVVQCGNTOI-IEBWSBKVSA-N 1 0 416.522 2.609 20 0 HFADRO CCOC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000790923835 1077233470 /nfs/dbraw/zinc/23/34/70/1077233470.db2.gz ZQLMOWAVBRDVBE-SFHVURJKSA-N 1 0 418.538 2.580 20 0 HFADRO CC(C)(C)OC(=O)[C@H]1CN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000746754018 1077233836 /nfs/dbraw/zinc/23/38/36/1077233836.db2.gz ITKQMRJJKSNRHW-LJQANCHMSA-N 1 0 409.571 2.783 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000788632368 1077237246 /nfs/dbraw/zinc/23/72/46/1077237246.db2.gz WJNHNTBRVIXBAZ-KRWDZBQOSA-N 1 0 402.438 2.779 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641152 1077243437 /nfs/dbraw/zinc/24/34/37/1077243437.db2.gz VMZZGLVTYTTWQW-OALUTQOASA-N 1 0 414.506 2.903 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788640615 1077243875 /nfs/dbraw/zinc/24/38/75/1077243875.db2.gz SXHNQWOLCSQBFH-INIZCTEOSA-N 1 0 408.930 2.829 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000788675334 1077245676 /nfs/dbraw/zinc/24/56/76/1077245676.db2.gz DXOPJVNWMCIGHV-QGZVFWFLSA-N 1 0 411.568 2.816 20 0 HFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788678445 1077247025 /nfs/dbraw/zinc/24/70/25/1077247025.db2.gz PALGDDVHIJSMFD-UHFFFAOYSA-N 1 0 408.973 2.993 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1Cl ZINC000788677682 1077247292 /nfs/dbraw/zinc/24/72/92/1077247292.db2.gz VYUCHYFMQROOFI-QWRGUYRKSA-N 1 0 408.973 2.895 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nnc(CC)[nH]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788691160 1077252071 /nfs/dbraw/zinc/25/20/71/1077252071.db2.gz XWFSVIAMMAVFDV-CABCVRRESA-N 1 0 423.558 2.987 20 0 HFADRO C[C@H](OC(=O)c1cccc2c[nH]nc21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000746952085 1077252848 /nfs/dbraw/zinc/25/28/48/1077252848.db2.gz DIEFYNMSVUMFTP-INIZCTEOSA-N 1 0 406.486 2.889 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000790960498 1077254789 /nfs/dbraw/zinc/25/47/89/1077254789.db2.gz ZQNKXNVUJVCJEC-NRFANRHFSA-N 1 0 414.594 2.940 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788663816 1077259141 /nfs/dbraw/zinc/25/91/41/1077259141.db2.gz XLRJZTNNAROWDH-CVEARBPZSA-N 1 0 410.559 2.673 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000788666374 1077259822 /nfs/dbraw/zinc/25/98/22/1077259822.db2.gz BIANOOIMIRBTQZ-CRAIPNDOSA-N 1 0 415.600 2.568 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788667079 1077260120 /nfs/dbraw/zinc/26/01/20/1077260120.db2.gz FLGOMEVEBGMEAU-NVXWUHKLSA-N 1 0 420.554 2.826 20 0 HFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000788667645 1077260725 /nfs/dbraw/zinc/26/07/25/1077260725.db2.gz GZFBSHFRJPVEEZ-HXUWFJFHSA-N 1 0 403.500 2.647 20 0 HFADRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)C3CN(C(=O)OC(C)(C)C)C3)C2=O)c1 ZINC000788668045 1077260755 /nfs/dbraw/zinc/26/07/55/1077260755.db2.gz WPZKZHZJFPFNII-KUHUBIRLSA-N 1 0 419.522 2.654 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H](C)[C@H](O)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788670287 1077261514 /nfs/dbraw/zinc/26/15/14/1077261514.db2.gz IOUXWLSDMKTDFW-OWYHZJEWSA-N 1 0 406.523 2.509 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)C1CC1 ZINC000788672247 1077262519 /nfs/dbraw/zinc/26/25/19/1077262519.db2.gz PJDYFMRDCLUZJA-RCCFBDPRSA-N 1 0 415.600 2.568 20 0 HFADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1N1CCSCC1 ZINC000790975594 1077268140 /nfs/dbraw/zinc/26/81/40/1077268140.db2.gz RDZYOLAJUIXOCD-IBGZPJMESA-N 1 0 418.607 2.723 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000746758875 1077270771 /nfs/dbraw/zinc/27/07/71/1077270771.db2.gz ZJHZXELOYRPCJT-XLIONFOSSA-N 1 0 418.538 2.847 20 0 HFADRO CN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746758879 1077270818 /nfs/dbraw/zinc/27/08/18/1077270818.db2.gz KROFPWXPLACABZ-UHFFFAOYSA-N 1 0 424.586 2.672 20 0 HFADRO CCNC(=O)Nc1cccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000788726456 1077273113 /nfs/dbraw/zinc/27/31/13/1077273113.db2.gz MCTGWOQAQIIYSK-KRWDZBQOSA-N 1 0 403.527 2.901 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)C2=O)c(C)c1 ZINC000788698307 1077275553 /nfs/dbraw/zinc/27/55/53/1077275553.db2.gz ZHMHNUUDEMLHCJ-AQNXPRMDSA-N 1 0 416.566 2.516 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NC(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000788698308 1077275621 /nfs/dbraw/zinc/27/56/21/1077275621.db2.gz ZHMHNUUDEMLHCJ-HSALFYBXSA-N 1 0 416.566 2.516 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000791031696 1077276714 /nfs/dbraw/zinc/27/67/14/1077276714.db2.gz NZGWNDUVACEDJL-LLVKDONJSA-N 1 0 402.720 2.823 20 0 HFADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000788760707 1077279599 /nfs/dbraw/zinc/27/95/99/1077279599.db2.gz CGICTAUWHFLUMR-KGLIPLIRSA-N 1 0 414.344 2.846 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788764068 1077280639 /nfs/dbraw/zinc/28/06/39/1077280639.db2.gz BFHUVSOPDPXYDN-SFHVURJKSA-N 1 0 405.514 2.973 20 0 HFADRO CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1F ZINC000791044160 1077281681 /nfs/dbraw/zinc/28/16/81/1077281681.db2.gz KDIWYUKOCKGAQQ-KRWDZBQOSA-N 1 0 421.494 2.714 20 0 HFADRO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)[N@@H+]1CCc2ccccc2C1 ZINC000788730578 1077284141 /nfs/dbraw/zinc/28/41/41/1077284141.db2.gz APAUPROPDZXRKB-WMZHIEFXSA-N 1 0 420.557 2.876 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000791058292 1077285474 /nfs/dbraw/zinc/28/54/74/1077285474.db2.gz CPSIGWHIIULDAS-KRWDZBQOSA-N 1 0 417.579 2.869 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788745991 1077288340 /nfs/dbraw/zinc/28/83/40/1077288340.db2.gz BOWPXJSMRXABCD-UYAOXDASSA-N 1 0 400.567 2.939 20 0 HFADRO COC(=O)c1cc(OC)c(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)cn1 ZINC001170148226 1077289456 /nfs/dbraw/zinc/28/94/56/1077289456.db2.gz BCEGAZVFORQNJY-UHFFFAOYSA-N 1 0 420.473 2.786 20 0 HFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788793723 1077289995 /nfs/dbraw/zinc/28/99/95/1077289995.db2.gz DBUYTMXIRLAJBV-HOCLYGCPSA-N 1 0 409.452 2.622 20 0 HFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788793721 1077290041 /nfs/dbraw/zinc/29/00/41/1077290041.db2.gz DBUYTMXIRLAJBV-GDBMZVCRSA-N 1 0 409.452 2.622 20 0 HFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788793722 1077290096 /nfs/dbraw/zinc/29/00/96/1077290096.db2.gz DBUYTMXIRLAJBV-GOEBONIOSA-N 1 0 409.452 2.622 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H](C(N)=O)c3cccc(Br)c3)C2)C1 ZINC000788801797 1077292530 /nfs/dbraw/zinc/29/25/30/1077292530.db2.gz CKAAJHOUBYNPOW-HNNXBMFYSA-N 1 0 424.339 2.965 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)CCN1C(=O)OC(C)(C)C ZINC000788777220 1077297934 /nfs/dbraw/zinc/29/79/34/1077297934.db2.gz OLATWUDOEANTRP-LMMKCTJWSA-N 1 0 420.554 2.852 20 0 HFADRO Cc1cc(C)n(Cc2cccc(C(=O)O[C@@H]3CCCN(c4cc[nH+]c(N)n4)C3)c2)n1 ZINC000791109632 1077300305 /nfs/dbraw/zinc/30/03/05/1077300305.db2.gz SYSARTHWLGZTTP-LJQANCHMSA-N 1 0 406.490 2.746 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788814730 1077306633 /nfs/dbraw/zinc/30/66/33/1077306633.db2.gz UDYNBDKOSHBWPT-SFTDATJTSA-N 1 0 400.567 2.797 20 0 HFADRO C[C@@H]([NH2+]C[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000788820282 1077308252 /nfs/dbraw/zinc/30/82/52/1077308252.db2.gz UIGQIMWLSUJVOM-HIFRSBDPSA-N 1 0 418.460 2.921 20 0 HFADRO CCS(=O)(=O)c1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)nc1 ZINC001170149295 1077309877 /nfs/dbraw/zinc/30/98/77/1077309877.db2.gz QYJDMWBTQRIKIP-UHFFFAOYSA-N 1 0 424.530 2.785 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000788851076 1077320100 /nfs/dbraw/zinc/32/01/00/1077320100.db2.gz SKASYAWTXVXUFX-FXAWDEMLSA-N 1 0 418.538 2.702 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)C(=O)N(C)CC)cc2Cl)CC1 ZINC000788886006 1077330929 /nfs/dbraw/zinc/33/09/29/1077330929.db2.gz JDHZVDITWXIZJY-HNNXBMFYSA-N 1 0 409.962 2.860 20 0 HFADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN(CCC[NH3+])c2ccccc2F)C1 ZINC000788855854 1077334953 /nfs/dbraw/zinc/33/49/53/1077334953.db2.gz QVIRMQHZOQGXLW-QGZVFWFLSA-N 1 0 422.545 2.744 20 0 HFADRO Cc1c(Cl)c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)sc1S(N)(=O)=O ZINC000791208264 1077344518 /nfs/dbraw/zinc/34/45/18/1077344518.db2.gz GSERJNUCYSBAKB-QWRGUYRKSA-N 1 0 422.016 2.844 20 0 HFADRO COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000788915948 1077353607 /nfs/dbraw/zinc/35/36/07/1077353607.db2.gz NKZAIMVFDJXDAM-JXFKEZNVSA-N 1 0 404.532 2.892 20 0 HFADRO COc1cc(OC)cc([C@H](O)CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746777578 1077358941 /nfs/dbraw/zinc/35/89/41/1077358941.db2.gz MNROGGUUBITRLW-VQTJNVASSA-N 1 0 421.925 2.993 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000788958565 1077362990 /nfs/dbraw/zinc/36/29/90/1077362990.db2.gz TZWGCNFLBVWYLD-QGZVFWFLSA-N 1 0 418.538 2.847 20 0 HFADRO COc1cccc([C@@H](CNC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)[NH+](C)C)c1 ZINC000791301327 1077363633 /nfs/dbraw/zinc/36/36/33/1077363633.db2.gz QHTDKGBQEPOLKG-MOPGFXCFSA-N 1 0 403.429 2.886 20 0 HFADRO CCOC(=O)N1CCC[C@H](C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000791302474 1077364247 /nfs/dbraw/zinc/36/42/47/1077364247.db2.gz XPJNEWUNXPJRPD-SFHVURJKSA-N 1 0 403.523 2.644 20 0 HFADRO COc1ccc2nc(C[NH2+]CC[C@](O)(c3nccn3C)C(F)(F)F)sc2c1 ZINC000788967445 1077366013 /nfs/dbraw/zinc/36/60/13/1077366013.db2.gz PNJFPMSMWXTAHX-INIZCTEOSA-N 1 0 400.426 2.968 20 0 HFADRO COC(=O)[C@@]1(NC(=O)C[C@H](O)c2cccc(F)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000772771933 1077372523 /nfs/dbraw/zinc/37/25/23/1077372523.db2.gz DOMYXTYTMLUSQT-NZQKXSOJSA-N 1 0 414.477 2.573 20 0 HFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000788981854 1077374065 /nfs/dbraw/zinc/37/40/65/1077374065.db2.gz PPXSYCGGPUUBMQ-XLIONFOSSA-N 1 0 415.559 2.976 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 ZINC000791342010 1077379867 /nfs/dbraw/zinc/37/98/67/1077379867.db2.gz BWCDUPUUXORHRN-UHFFFAOYSA-N 1 0 408.502 2.768 20 0 HFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746780971 1077379999 /nfs/dbraw/zinc/37/99/99/1077379999.db2.gz FSQXHPZPLPGFGM-MRXNPFEDSA-N 1 0 401.536 2.952 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000789019696 1077386466 /nfs/dbraw/zinc/38/64/66/1077386466.db2.gz ASPJBNVDHBWRGL-OAQYLSRUSA-N 1 0 415.582 2.752 20 0 HFADRO O=C(Cc1cccnc1Br)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000791380319 1077388336 /nfs/dbraw/zinc/38/83/36/1077388336.db2.gz OPUWFEQOUZKVGM-UHFFFAOYSA-N 1 0 410.356 2.786 20 0 HFADRO CC(C)c1cc(C(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000747007931 1077395676 /nfs/dbraw/zinc/39/56/76/1077395676.db2.gz BIWLDDXOPYSLSO-QGZVFWFLSA-N 1 0 412.534 2.870 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)[NH+]1CCCCC1 ZINC000746786430 1077398282 /nfs/dbraw/zinc/39/82/82/1077398282.db2.gz HHFBKXBQHHLCNO-CYBMUJFWSA-N 1 0 415.469 2.682 20 0 HFADRO Cc1nc(CC2CC2)oc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789153154 1077436863 /nfs/dbraw/zinc/43/68/63/1077436863.db2.gz VVWPHTINRPCPPB-QFBILLFUSA-N 1 0 411.502 2.872 20 0 HFADRO CCOC1CC(CC(=O)OCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000789161828 1077438271 /nfs/dbraw/zinc/43/82/71/1077438271.db2.gz OPWPSPYEIKTHNB-UHFFFAOYSA-N 1 0 402.535 2.824 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000746788704 1077444326 /nfs/dbraw/zinc/44/43/26/1077444326.db2.gz VFQDWBOUOOHVJN-UHFFFAOYSA-N 1 0 420.517 2.738 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3cc(C[NH+](C)C)ccc3OC)C2)c1 ZINC000791508234 1077448044 /nfs/dbraw/zinc/44/80/44/1077448044.db2.gz ORJNPVXEEGVJIE-NRFANRHFSA-N 1 0 413.474 2.906 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000791522186 1077453659 /nfs/dbraw/zinc/45/36/59/1077453659.db2.gz NTLJRYFQWOWILS-OAQYLSRUSA-N 1 0 413.474 2.776 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)C2)c1 ZINC000791574728 1077467922 /nfs/dbraw/zinc/46/79/22/1077467922.db2.gz LCYXNNYVGRLJRH-IERDGZPVSA-N 1 0 401.507 2.674 20 0 HFADRO CC(C)c1cc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)n(-c2ncccn2)n1 ZINC000789249506 1077472724 /nfs/dbraw/zinc/47/27/24/1077472724.db2.gz KFWXJNBNCTXRPB-QGZVFWFLSA-N 1 0 413.526 2.551 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@@H]3CCC(=O)c4cccn43)CC2)cc1 ZINC000789227828 1077483706 /nfs/dbraw/zinc/48/37/06/1077483706.db2.gz MYCDINIIZLZIEL-NRFANRHFSA-N 1 0 423.513 2.592 20 0 HFADRO Cn1nnnc1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000789279576 1077494347 /nfs/dbraw/zinc/49/43/47/1077494347.db2.gz XKTZGOFJIHXKPR-RBUKOAKNSA-N 1 0 411.893 2.823 20 0 HFADRO CSc1ccccc1C[N@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000791599383 1077498033 /nfs/dbraw/zinc/49/80/33/1077498033.db2.gz QZHUZZISCNINBI-UHFFFAOYSA-N 1 0 404.536 2.516 20 0 HFADRO Cc1cccc(N2C[C@@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)c1C ZINC000791602437 1077500922 /nfs/dbraw/zinc/50/09/22/1077500922.db2.gz NCCKEHDNTFTOPV-FQEVSTJZSA-N 1 0 401.551 2.616 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C(F)(F)C3CCOCC3)CC2)cc1 ZINC000791602581 1077500977 /nfs/dbraw/zinc/50/09/77/1077500977.db2.gz HHRVYNTXYUVUBQ-UHFFFAOYSA-N 1 0 424.488 2.634 20 0 HFADRO CCS(=O)(=O)CCCCC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000789304948 1077507226 /nfs/dbraw/zinc/50/72/26/1077507226.db2.gz HBUVMOQTHHIPFB-UHFFFAOYSA-N 1 0 410.536 2.671 20 0 HFADRO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1ccccc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000791646402 1077509143 /nfs/dbraw/zinc/50/91/43/1077509143.db2.gz ACZRBUGDKPKDSC-UHFFFAOYSA-N 1 0 411.506 2.940 20 0 HFADRO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789313071 1077510195 /nfs/dbraw/zinc/51/01/95/1077510195.db2.gz KJJWARXQINWQAM-GOSISDBHSA-N 1 0 423.941 2.770 20 0 HFADRO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)O1 ZINC000789352411 1077513222 /nfs/dbraw/zinc/51/32/22/1077513222.db2.gz NGRRTFFZEMMNBP-FCGDIQPGSA-N 1 0 409.571 2.782 20 0 HFADRO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)O1 ZINC000789352416 1077513461 /nfs/dbraw/zinc/51/34/61/1077513461.db2.gz NGRRTFFZEMMNBP-MKXGPGLRSA-N 1 0 409.571 2.782 20 0 HFADRO CSc1ccc(N2C[C@@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)cc1 ZINC000791674762 1077524834 /nfs/dbraw/zinc/52/48/34/1077524834.db2.gz KJDVJFYEXXVDPQ-SFHVURJKSA-N 1 0 419.591 2.721 20 0 HFADRO COc1nc(Br)ccc1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000789384886 1077531265 /nfs/dbraw/zinc/53/12/65/1077531265.db2.gz QZRZFLCANCBJOR-UHFFFAOYSA-N 1 0 415.332 2.864 20 0 HFADRO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000791704211 1077533416 /nfs/dbraw/zinc/53/34/16/1077533416.db2.gz UHBHHDAKXQYSDJ-JOCHJYFZSA-N 1 0 415.578 2.807 20 0 HFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000791703524 1077533728 /nfs/dbraw/zinc/53/37/28/1077533728.db2.gz GRXAYUDBFMSIIC-INIZCTEOSA-N 1 0 405.543 2.782 20 0 HFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000791703528 1077533764 /nfs/dbraw/zinc/53/37/64/1077533764.db2.gz GRXAYUDBFMSIIC-MRXNPFEDSA-N 1 0 405.543 2.782 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000789377534 1077546196 /nfs/dbraw/zinc/54/61/96/1077546196.db2.gz KGNGCELRAYJTTP-UHFFFAOYSA-N 1 0 400.548 2.593 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000789378237 1077547523 /nfs/dbraw/zinc/54/75/23/1077547523.db2.gz PSLJTMYLBFYSGM-INIZCTEOSA-N 1 0 402.882 2.717 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000746803935 1077548570 /nfs/dbraw/zinc/54/85/70/1077548570.db2.gz QKYJMUJOMORXAI-OALUTQOASA-N 1 0 418.582 2.864 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000746812338 1077554283 /nfs/dbraw/zinc/55/42/83/1077554283.db2.gz KYABGJMFVGHFTK-QGZVFWFLSA-N 1 0 418.881 2.876 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCCCC3)c2)C1 ZINC000746813340 1077555545 /nfs/dbraw/zinc/55/55/45/1077555545.db2.gz JCCYVOCSZZEINX-NRFANRHFSA-N 1 0 416.566 2.575 20 0 HFADRO CCOC(=O)c1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2cccc(CO)c2)cc1 ZINC000789425358 1077556220 /nfs/dbraw/zinc/55/62/20/1077556220.db2.gz RXDOTJSYWDMVJQ-UHFFFAOYSA-O 1 0 413.519 2.996 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)NCCc2cccnc2)[n+]2ccc(C(C)(C)C)cc2)n1 ZINC000789403035 1077560252 /nfs/dbraw/zinc/56/02/52/1077560252.db2.gz KGVJZJYSIGBKTN-UHFFFAOYSA-O 1 0 423.566 2.839 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791821758 1077562661 /nfs/dbraw/zinc/56/26/61/1077562661.db2.gz DHBOGDCSUWYIKE-MBSDFSHPSA-N 1 0 423.513 2.835 20 0 HFADRO CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000791828354 1077576194 /nfs/dbraw/zinc/57/61/94/1077576194.db2.gz MRBPXELHKWJRFT-QGZVFWFLSA-N 1 0 404.507 2.871 20 0 HFADRO CC(C)CC[C@@]1(C2CC2)NC(=O)N(CN2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000789445280 1077577693 /nfs/dbraw/zinc/57/76/93/1077577693.db2.gz SSOISJDABYCVII-QHCPKHFHSA-N 1 0 420.598 2.658 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)[C@@H](COC)Cc3ccccc3)cc2)CC1 ZINC000789454672 1077580730 /nfs/dbraw/zinc/58/07/30/1077580730.db2.gz DJYRUDUPVZGQCM-XMMPIXPASA-N 1 0 424.589 2.957 20 0 HFADRO O=C(CN1CCc2ccccc2C1=O)O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000789461708 1077583472 /nfs/dbraw/zinc/58/34/72/1077583472.db2.gz DUKYIZNUNRUCLU-QFIPXVFZSA-N 1 0 404.510 2.991 20 0 HFADRO Cc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)nnn1-c1ccc(F)c(Cl)c1 ZINC000791884798 1077585981 /nfs/dbraw/zinc/58/59/81/1077585981.db2.gz QQWHDQOTMMNYMX-UHFFFAOYSA-N 1 0 423.920 2.941 20 0 HFADRO Cc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)nnn1-c1cccc2cnccc21 ZINC000791886333 1077586364 /nfs/dbraw/zinc/58/63/64/1077586364.db2.gz ZJFDZQASHSGCKC-UHFFFAOYSA-N 1 0 422.533 2.697 20 0 HFADRO CC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)C[NH+]1CCCC1 ZINC000791898520 1077589992 /nfs/dbraw/zinc/58/99/92/1077589992.db2.gz WOLGGHUPTYYSAB-UHFFFAOYSA-N 1 0 413.971 2.586 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](c2ccccc2)N2CCSCC2)CC1 ZINC000791930676 1077597677 /nfs/dbraw/zinc/59/76/77/1077597677.db2.gz MRZSZHHVOPQGEQ-NRFANRHFSA-N 1 0 405.608 2.736 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000791975537 1077617277 /nfs/dbraw/zinc/61/72/77/1077617277.db2.gz ZIBOXOJKYYPODZ-VKRLORBYSA-N 1 0 409.530 2.695 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](c3cccs3)[NH+](C)C)C2)c1 ZINC000792031139 1077658908 /nfs/dbraw/zinc/65/89/08/1077658908.db2.gz VNSTWBAFXKJTHD-FUHWJXTLSA-N 1 0 403.504 2.677 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)C2)c1 ZINC000792056677 1077661998 /nfs/dbraw/zinc/66/19/98/1077661998.db2.gz HXWMZURUJWRKGN-IIBYNOLFSA-N 1 0 403.523 2.825 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000792057236 1077663572 /nfs/dbraw/zinc/66/35/72/1077663572.db2.gz NWBPGYMDFAVQER-HRAATJIYSA-N 1 0 403.523 2.968 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000792057240 1077663665 /nfs/dbraw/zinc/66/36/65/1077663665.db2.gz NWBPGYMDFAVQER-IIBYNOLFSA-N 1 0 403.523 2.968 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000792057014 1077664126 /nfs/dbraw/zinc/66/41/26/1077664126.db2.gz LSUGZUSFBOGVRX-WZONZLPQSA-N 1 0 423.513 2.978 20 0 HFADRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1 ZINC000789560162 1077678080 /nfs/dbraw/zinc/67/80/80/1077678080.db2.gz HEYLHLMJRXVNBY-LJQANCHMSA-N 1 0 407.449 2.707 20 0 HFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000789559797 1077678551 /nfs/dbraw/zinc/67/85/51/1077678551.db2.gz DAAJMFPMKNFGKA-HNNXBMFYSA-N 1 0 418.291 2.748 20 0 HFADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1C ZINC000789562242 1077680727 /nfs/dbraw/zinc/68/07/27/1077680727.db2.gz WNXKPSUDUSVUEH-NRFANRHFSA-N 1 0 417.513 2.935 20 0 HFADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)C[C@H](C)O1 ZINC000746835601 1077705338 /nfs/dbraw/zinc/70/53/38/1077705338.db2.gz BSYRZWCEVWNUJP-KSZLIROESA-N 1 0 409.571 2.924 20 0 HFADRO CCc1noc(CONC(=[NH2+])[C@H](NC(=O)OC(C)(C)C)c2ccc(OC)cc2)n1 ZINC000789632522 1077712503 /nfs/dbraw/zinc/71/25/03/1077712503.db2.gz KTLXGDRXLROXJV-MRXNPFEDSA-N 1 0 405.455 2.905 20 0 HFADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000746843480 1077718646 /nfs/dbraw/zinc/71/86/46/1077718646.db2.gz FXDIGCRTWQSEAU-DEDYPNTBSA-N 1 0 400.502 2.698 20 0 HFADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792176277 1077735167 /nfs/dbraw/zinc/73/51/67/1077735167.db2.gz PBBHEZPJCWPQKB-QRQLOZEOSA-N 1 0 402.539 2.673 20 0 HFADRO COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792177664 1077735657 /nfs/dbraw/zinc/73/56/57/1077735657.db2.gz FYORQHOVKXGHTI-WLRLJWMZSA-N 1 0 414.550 2.627 20 0 HFADRO COC(=O)N1CCC([C@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000792180901 1077736657 /nfs/dbraw/zinc/73/66/57/1077736657.db2.gz WATDXQMYVCEZSW-DZFGPLHGSA-N 1 0 414.550 2.627 20 0 HFADRO Cc1ccnc(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000792207618 1077746227 /nfs/dbraw/zinc/74/62/27/1077746227.db2.gz DDSOGDYIYMKLIR-GOSISDBHSA-N 1 0 402.539 2.681 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000746850002 1077747473 /nfs/dbraw/zinc/74/74/73/1077747473.db2.gz YKWKTCLVHOGCOC-NHTFAYPBSA-N 1 0 405.564 2.935 20 0 HFADRO CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000792230646 1077753965 /nfs/dbraw/zinc/75/39/65/1077753965.db2.gz NQKGUPJIQGEXDR-XZOQPEGZSA-N 1 0 420.557 2.951 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)nc1 ZINC000792232784 1077755769 /nfs/dbraw/zinc/75/57/69/1077755769.db2.gz VZUHUMIOWSHTMX-IBGZPJMESA-N 1 0 418.538 2.684 20 0 HFADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1nc(Br)ccc1F ZINC000792238256 1077759683 /nfs/dbraw/zinc/75/96/83/1077759683.db2.gz MVOYDFORYWMTRO-HOCLYGCPSA-N 1 0 422.298 2.596 20 0 HFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1nc(Br)ccc1F ZINC000792209273 1077765432 /nfs/dbraw/zinc/76/54/32/1077765432.db2.gz NHRLFHFDLYGXOL-UHFFFAOYSA-N 1 0 422.298 2.870 20 0 HFADRO CC[C@@H](C)n1ncc(NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1C ZINC000792282880 1077774208 /nfs/dbraw/zinc/77/42/08/1077774208.db2.gz XXVUTCZOYJJPHI-MRXNPFEDSA-N 1 0 412.538 2.882 20 0 HFADRO COc1ccc(CN2CCC[N@H+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1 ZINC000792291552 1077777516 /nfs/dbraw/zinc/77/75/16/1077777516.db2.gz PVWWULQXUPHOGP-UHFFFAOYSA-N 1 0 424.545 2.824 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2)c1 ZINC000792256123 1077782641 /nfs/dbraw/zinc/78/26/41/1077782641.db2.gz QUDLRVLZQYBYSH-GNSUPJDDSA-N 1 0 413.518 2.672 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cnn(-c3ccncc3)c2C(F)F)CC1 ZINC000792261623 1077784683 /nfs/dbraw/zinc/78/46/83/1077784683.db2.gz KNVLEGOAHQVNBV-UHFFFAOYSA-N 1 0 407.465 2.778 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000792264495 1077786085 /nfs/dbraw/zinc/78/60/85/1077786085.db2.gz PMAANFBANGQELE-UHFFFAOYSA-N 1 0 406.534 2.775 20 0 HFADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC001170120231 1077800294 /nfs/dbraw/zinc/80/02/94/1077800294.db2.gz ZMHKZKKDGKNKLQ-QZTJIDSGSA-N 1 0 413.609 2.919 20 0 HFADRO CC(C)=CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000792312297 1077802470 /nfs/dbraw/zinc/80/24/70/1077802470.db2.gz OEOLGHXOAAPGEM-UHFFFAOYSA-N 1 0 400.523 2.912 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000792366050 1077817197 /nfs/dbraw/zinc/81/71/97/1077817197.db2.gz BPYBHGGDLHTNOV-LJQANCHMSA-N 1 0 408.502 2.530 20 0 HFADRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332258 1077822438 /nfs/dbraw/zinc/82/24/38/1077822438.db2.gz UQXGFBDDHOMGGI-MRXNPFEDSA-N 1 0 410.559 2.722 20 0 HFADRO C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000792387956 1077830383 /nfs/dbraw/zinc/83/03/83/1077830383.db2.gz OTFKICKMTRFKLQ-WMLDXEAASA-N 1 0 412.456 2.566 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C2CC2)C1 ZINC000796738554 1077832452 /nfs/dbraw/zinc/83/24/52/1077832452.db2.gz SIZWOCCUCNPQGV-HRCADAONSA-N 1 0 407.477 2.627 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)c1 ZINC000792399594 1077835327 /nfs/dbraw/zinc/83/53/27/1077835327.db2.gz GRWFDGFEOAHOTG-UHFFFAOYSA-N 1 0 424.423 2.638 20 0 HFADRO C[C@H](OC(=O)c1nc2cccnc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792382077 1077845877 /nfs/dbraw/zinc/84/58/77/1077845877.db2.gz QLIPLTGPYICHJM-HOCLYGCPSA-N 1 0 410.499 2.627 20 0 HFADRO Nn1c(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1[C@H]1CCCCO1 ZINC000789921551 1077848224 /nfs/dbraw/zinc/84/82/24/1077848224.db2.gz LNKRAWOAISVJDU-QZTJIDSGSA-N 1 0 403.552 2.617 20 0 HFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1nc(Br)cs1 ZINC000792424248 1077850836 /nfs/dbraw/zinc/85/08/36/1077850836.db2.gz MXJCDHWSNXVQQC-KGLIPLIRSA-N 1 0 410.337 2.518 20 0 HFADRO CN(C)C(=O)Sc1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)nc1 ZINC001170166266 1077857512 /nfs/dbraw/zinc/85/75/12/1077857512.db2.gz KMNQXLXAXMCKJB-UHFFFAOYSA-N 1 0 400.508 2.723 20 0 HFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc(Br)cs1 ZINC000792465156 1077859236 /nfs/dbraw/zinc/85/92/36/1077859236.db2.gz KKWPEMNAQQNHHD-QGZVFWFLSA-N 1 0 410.337 2.615 20 0 HFADRO CCOC(=O)C1=C(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000792466632 1077859987 /nfs/dbraw/zinc/85/99/87/1077859987.db2.gz ZYCGSJDCPMRDDQ-KHYOSLBOSA-N 1 0 405.495 2.588 20 0 HFADRO CCOC(=O)C1=C(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000792466634 1077860084 /nfs/dbraw/zinc/86/00/84/1077860084.db2.gz ZYCGSJDCPMRDDQ-QMTMVMCOSA-N 1 0 405.495 2.588 20 0 HFADRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000789947585 1077863766 /nfs/dbraw/zinc/86/37/66/1077863766.db2.gz YBQZKLLLRMBQHL-SFTDATJTSA-N 1 0 424.545 2.961 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792497192 1077867258 /nfs/dbraw/zinc/86/72/58/1077867258.db2.gz ZRRGGCDSPUJIDG-UXHICEINSA-N 1 0 417.550 2.651 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC[NH+](C3CCCC3)CC2)cs1 ZINC000789953947 1077867318 /nfs/dbraw/zinc/86/73/18/1077867318.db2.gz BYTVVEKAHLFPEF-UHFFFAOYSA-N 1 0 408.568 2.911 20 0 HFADRO O=C(CC1OCCCO1)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000789957217 1077868713 /nfs/dbraw/zinc/86/87/13/1077868713.db2.gz MYRNXJVZXSGKEK-UHFFFAOYSA-N 1 0 409.530 2.778 20 0 HFADRO CN(C(=O)c1ccc(NC(=O)c2ccn(CC(F)F)n2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000789961986 1077871804 /nfs/dbraw/zinc/87/18/04/1077871804.db2.gz QXKISEGEJBHHCB-MRXNPFEDSA-N 1 0 405.449 2.567 20 0 HFADRO C[C@@H](CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)NC(=O)OC(C)(C)C ZINC000792511789 1077880378 /nfs/dbraw/zinc/88/03/78/1077880378.db2.gz LTVKTVLNTFUPCQ-INIZCTEOSA-N 1 0 405.539 2.534 20 0 HFADRO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000772797989 1077900787 /nfs/dbraw/zinc/90/07/87/1077900787.db2.gz KVCXCCZSZNBHEB-SIKLNZKXSA-N 1 0 400.567 2.801 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000790032910 1077904945 /nfs/dbraw/zinc/90/49/45/1077904945.db2.gz WKRJEVZNDXMOGO-UHFFFAOYSA-N 1 0 408.543 2.769 20 0 HFADRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790038478 1077907298 /nfs/dbraw/zinc/90/72/98/1077907298.db2.gz IXRIXASRVFQFBU-DOTOQJQBSA-N 1 0 411.568 2.672 20 0 HFADRO CC[C@@H]1C[C@@H](N(CC(C)C)c2nc3c(cc2C(=O)N(C)C)CC[NH2+]CC3)CCO1 ZINC001170210217 1077908060 /nfs/dbraw/zinc/90/80/60/1077908060.db2.gz WMPCDXUXZJXUJW-RBUKOAKNSA-N 1 0 402.583 2.892 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(F)ccc1Br ZINC000790041689 1077908324 /nfs/dbraw/zinc/90/83/24/1077908324.db2.gz SRSQZVXBRLDEQI-UHFFFAOYSA-N 1 0 420.304 2.731 20 0 HFADRO CC[C@H]1C[C@H]([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214088 1077908714 /nfs/dbraw/zinc/90/87/14/1077908714.db2.gz MMWMWGFSSKMUCO-YUMYIRISSA-N 1 0 406.592 2.913 20 0 HFADRO C[NH+](C)CC[C@@H](c1ccc(Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)cc1)c1ccccn1 ZINC001170218603 1077910044 /nfs/dbraw/zinc/91/00/44/1077910044.db2.gz NWPORLFGYRCIIE-HNNXBMFYSA-N 1 0 405.462 2.938 20 0 HFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000790010206 1077911490 /nfs/dbraw/zinc/91/14/90/1077911490.db2.gz JZNSWVGRTDFHSM-INIZCTEOSA-N 1 0 401.532 2.915 20 0 HFADRO CCCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000790014393 1077913380 /nfs/dbraw/zinc/91/33/80/1077913380.db2.gz GFVFNQCPVVNWPS-LJQANCHMSA-N 1 0 409.596 2.845 20 0 HFADRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790020836 1077916820 /nfs/dbraw/zinc/91/68/20/1077916820.db2.gz NCWZJZDGLGCDQY-QGZVFWFLSA-N 1 0 413.584 2.966 20 0 HFADRO CC[C@H]1C[C@@H](N(CC2CC2)c2nc3c(cc2C(=O)N(C)C)CC[NH2+]CC3)CCO1 ZINC001170224933 1077917116 /nfs/dbraw/zinc/91/71/16/1077917116.db2.gz WKGOYJNXFRFNAC-OALUTQOASA-N 1 0 400.567 2.646 20 0 HFADRO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001626112241 1077917765 /nfs/dbraw/zinc/91/77/65/1077917765.db2.gz ZRRORUWMMGWWNH-FQEVSTJZSA-N 1 0 400.567 2.799 20 0 HFADRO C[C@H]1CN(c2ccc(NC(=O)COC(=O)c3ccc4c[nH+]cn4c3)cc2)C[C@H](C)O1 ZINC000792574254 1077918941 /nfs/dbraw/zinc/91/89/41/1077918941.db2.gz ZZGUQQOOBRHHNX-HOTGVXAUSA-N 1 0 408.458 2.743 20 0 HFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000790027940 1077919210 /nfs/dbraw/zinc/91/92/10/1077919210.db2.gz WHLUGQTZXATBFO-CRAIPNDOSA-N 1 0 411.568 2.672 20 0 HFADRO COc1ncc(NCC2C[NH+](C)C2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c21 ZINC001170256772 1077919550 /nfs/dbraw/zinc/91/95/50/1077919550.db2.gz WCQMABYWVMEELE-UHFFFAOYSA-N 1 0 400.504 2.564 20 0 HFADRO NC(=O)c1ncn(C2CC[NH+](CCCOc3cccc(C(F)(F)F)c3)CC2)c1N ZINC001170264795 1077921465 /nfs/dbraw/zinc/92/14/65/1077921465.db2.gz YHYGGJYDZDKDOB-UHFFFAOYSA-N 1 0 411.428 2.689 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001170275616 1077926467 /nfs/dbraw/zinc/92/64/67/1077926467.db2.gz HXQUEMBEQDKGBF-HKUYNNGSSA-N 1 0 406.954 2.858 20 0 HFADRO CC(C)(C)OC(=O)NCc1nc(CN2CCN(c3cc[nH+]c4ccccc43)CC2)no1 ZINC001170127145 1077926796 /nfs/dbraw/zinc/92/67/96/1077926796.db2.gz CPVSXSZHZAHJBS-UHFFFAOYSA-N 1 0 424.505 2.965 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000790050056 1077930529 /nfs/dbraw/zinc/93/05/29/1077930529.db2.gz XDPREGDYUVSXQT-RDJZCZTQSA-N 1 0 411.568 2.672 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000790051343 1077931128 /nfs/dbraw/zinc/93/11/28/1077931128.db2.gz FKLAQVUWZMYPMN-SIKLNZKXSA-N 1 0 414.594 2.524 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cnc(Br)c(Cl)c2)CC1 ZINC000792603906 1077931494 /nfs/dbraw/zinc/93/14/94/1077931494.db2.gz KAYLURPPGFPQGT-UHFFFAOYSA-N 1 0 418.719 2.643 20 0 HFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790054521 1077933131 /nfs/dbraw/zinc/93/31/31/1077933131.db2.gz SMITXEIPNZNUNS-UHFFFAOYSA-N 1 0 414.594 2.668 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(-c3ccc(N(C)C)cc3)nc3ccccc32)O1 ZINC001170277112 1077933812 /nfs/dbraw/zinc/93/38/12/1077933812.db2.gz HPFVFORGLQFRMR-LGVFNWMJSA-N 1 0 421.545 2.921 20 0 HFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC001170280351 1077936219 /nfs/dbraw/zinc/93/62/19/1077936219.db2.gz CZGFGUBBHCHITR-MOPGFXCFSA-N 1 0 410.536 2.520 20 0 HFADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC001170315744 1077941481 /nfs/dbraw/zinc/94/14/81/1077941481.db2.gz QFHZWKOHQCEPGS-INIZCTEOSA-N 1 0 423.504 2.909 20 0 HFADRO CNC(=O)c1cncc(/C=C/C(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001170321922 1077943003 /nfs/dbraw/zinc/94/30/03/1077943003.db2.gz WLMJXDCCCUGPIY-LKGOPFMKSA-N 1 0 420.435 2.892 20 0 HFADRO CCc1noc(COCC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)n1 ZINC001170328200 1077944504 /nfs/dbraw/zinc/94/45/04/1077944504.db2.gz RGZUXJKNVKHDOE-AWEZNQCLSA-N 1 0 400.401 2.587 20 0 HFADRO CCc1noc(COCC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)n1 ZINC001170328201 1077944590 /nfs/dbraw/zinc/94/45/90/1077944590.db2.gz RGZUXJKNVKHDOE-CQSZACIVSA-N 1 0 400.401 2.587 20 0 HFADRO COC(=O)Nc1ccc(CNC(=O)CN2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC001170333821 1077946097 /nfs/dbraw/zinc/94/60/97/1077946097.db2.gz SLZJRLYCSHFJES-LJQANCHMSA-N 1 0 424.545 2.935 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC001170334226 1077946382 /nfs/dbraw/zinc/94/63/82/1077946382.db2.gz YANLIXKOSHARAZ-SJORKVTESA-N 1 0 422.570 2.724 20 0 HFADRO O=C(C[N@@H+]1CCCc2ccccc2CC1)NCc1ccccc1CN1CCCC1=O ZINC001170342285 1077953676 /nfs/dbraw/zinc/95/36/76/1077953676.db2.gz LZIHEMYPGVCELU-UHFFFAOYSA-N 1 0 405.542 2.916 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC001170384477 1077956627 /nfs/dbraw/zinc/95/66/27/1077956627.db2.gz BYUSUCKVTAEFFG-BEVDRBHNSA-N 1 0 420.579 2.887 20 0 HFADRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]2CCCO[C@@H]21 ZINC001170385977 1077957271 /nfs/dbraw/zinc/95/72/71/1077957271.db2.gz LIWLUWNFRMJUHX-VHSSKADRSA-N 1 0 405.564 2.848 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000790122536 1077958182 /nfs/dbraw/zinc/95/81/82/1077958182.db2.gz QZPXGGXSZMEKJI-HXUWFJFHSA-N 1 0 415.607 2.721 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)C[NH+]1CCCC1 ZINC000790187847 1077966558 /nfs/dbraw/zinc/96/65/58/1077966558.db2.gz IGBWGDAICCGHPA-WBVHZDCISA-N 1 0 411.468 2.869 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001170411359 1077966550 /nfs/dbraw/zinc/96/65/50/1077966550.db2.gz JQZFVZUGIRUYAI-TVKQPGBESA-N 1 0 404.507 2.960 20 0 HFADRO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)C1CCN(c2cnccn2)CC1 ZINC000790211216 1077971399 /nfs/dbraw/zinc/97/13/99/1077971399.db2.gz FNUAWZUWXQOVHR-TWGQIWQCSA-N 1 0 409.534 2.558 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000790219937 1077972903 /nfs/dbraw/zinc/97/29/03/1077972903.db2.gz PFZJMWTXRCQKIT-DENIHFKCSA-N 1 0 413.566 2.880 20 0 HFADRO COC(=O)c1c(C)c(NC(=S)NC2CC[NH+](C)CC2)ccc1Br ZINC000792690379 1077976233 /nfs/dbraw/zinc/97/62/33/1077976233.db2.gz CAHLSGIVQUNQHJ-UHFFFAOYSA-N 1 0 400.342 2.925 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)C[C@H]1CCCOC1 ZINC000792748420 1077983872 /nfs/dbraw/zinc/98/38/72/1077983872.db2.gz PGNAPTWBWHERCA-INIZCTEOSA-N 1 0 408.486 2.825 20 0 HFADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@@H]1CC(c3cccnc3)=NO1)c1ccccc1O2 ZINC000790292810 1077987451 /nfs/dbraw/zinc/98/74/51/1077987451.db2.gz FFCDEEOICVXYAB-CTNGQTDRSA-N 1 0 406.486 2.679 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001170419610 1077989371 /nfs/dbraw/zinc/98/93/71/1077989371.db2.gz HAQXOFDWUBAGFG-HOTGVXAUSA-N 1 0 408.495 2.782 20 0 HFADRO O=C(NC[C@H]1CCCN(C(=O)NCCC[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000792793669 1077993678 /nfs/dbraw/zinc/99/36/78/1077993678.db2.gz SOLCSEIIWAYNHP-HXUWFJFHSA-N 1 0 402.539 2.820 20 0 HFADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H]2CC(C)(C)C)C1=O ZINC000747087327 1078005318 /nfs/dbraw/zinc/00/53/18/1078005318.db2.gz RNMOZUJUSQKKRE-VGOFRKELSA-N 1 0 400.523 2.776 20 0 HFADRO C[C@@]1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792855150 1078009321 /nfs/dbraw/zinc/00/93/21/1078009321.db2.gz OMEFWCALUKIEED-HSZRJFAPSA-N 1 0 408.502 2.779 20 0 HFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1nc(Br)ccc1Br ZINC000790382270 1078010028 /nfs/dbraw/zinc/01/00/28/1078010028.db2.gz RNVQMALKRIHGSF-SECBINFHSA-N 1 0 403.118 2.821 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCc3c(Br)ccc(F)c3C1)C[NH+]1CCC2CC1 ZINC000790386920 1078011798 /nfs/dbraw/zinc/01/17/98/1078011798.db2.gz QEGWLMNOIKBDKR-LJQANCHMSA-N 1 0 424.314 2.820 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCc3cc(Br)ccc3C1)C[NH+]1CCC2CC1 ZINC000790390341 1078012873 /nfs/dbraw/zinc/01/28/73/1078012873.db2.gz SPLMIWOTCSZGGM-LJQANCHMSA-N 1 0 406.324 2.681 20 0 HFADRO Cc1nc2ccccc2n1C[C@H]1CCCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364624 1078014641 /nfs/dbraw/zinc/01/46/41/1078014641.db2.gz AQYMGBDZKNCSIS-XXBNENTESA-N 1 0 409.534 2.683 20 0 HFADRO C[C@]1(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN(C(=O)OCc2ccccc2)C1 ZINC000792873569 1078014962 /nfs/dbraw/zinc/01/49/62/1078014962.db2.gz SZSCMLAVEZVXSD-IPJJNNNSSA-N 1 0 400.523 2.714 20 0 HFADRO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN(C(=O)OCc2ccccc2)C1 ZINC000792873575 1078014989 /nfs/dbraw/zinc/01/49/89/1078014989.db2.gz SZSCMLAVEZVXSD-KNKQGSTJSA-N 1 0 400.523 2.714 20 0 HFADRO C[C@@H](c1ccccc1Cl)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365342 1078015106 /nfs/dbraw/zinc/01/51/06/1078015106.db2.gz FYVLGGPXLVZWKX-JTSKRJEESA-N 1 0 418.969 2.893 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000792880772 1078016539 /nfs/dbraw/zinc/01/65/39/1078016539.db2.gz VAXSYZZMXJHAKA-RTWAWAEBSA-N 1 0 419.566 2.503 20 0 HFADRO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135115 1078021845 /nfs/dbraw/zinc/02/18/45/1078021845.db2.gz GLGGZWOAVLKXDT-VKSUQKOCSA-N 1 0 404.580 2.598 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001170422631 1078023766 /nfs/dbraw/zinc/02/37/66/1078023766.db2.gz XMEZSWAMDWUIJO-QGZVFWFLSA-N 1 0 417.531 2.574 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000792913210 1078024165 /nfs/dbraw/zinc/02/41/65/1078024165.db2.gz MIRVOMKOVPFHBJ-JKSUJKDBSA-N 1 0 407.363 2.831 20 0 HFADRO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747092948 1078027133 /nfs/dbraw/zinc/02/71/33/1078027133.db2.gz GTAABBDFQGUIRX-QRVBRYPASA-N 1 0 411.587 2.935 20 0 HFADRO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000792930836 1078028130 /nfs/dbraw/zinc/02/81/30/1078028130.db2.gz KXZAFTNQINQDQA-UHFFFAOYSA-N 1 0 411.506 2.592 20 0 HFADRO NC(=O)COc1ccc(C[NH+]2CCN(c3cccc(Br)c3)CC2)cc1 ZINC000792933715 1078028287 /nfs/dbraw/zinc/02/82/87/1078028287.db2.gz LTNCCHVLIUBGIZ-UHFFFAOYSA-N 1 0 404.308 2.635 20 0 HFADRO CCOC(=O)C1C(C[NH+]2CCC3(CCOCC3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000792933267 1078028522 /nfs/dbraw/zinc/02/85/22/1078028522.db2.gz JUDKSFMDIKOAKO-FQEVSTJZSA-N 1 0 413.518 2.750 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)nc3)cc2)CC1 ZINC000790437634 1078030840 /nfs/dbraw/zinc/03/08/40/1078030840.db2.gz GROABIZMNLXOPQ-UHFFFAOYSA-N 1 0 409.939 2.828 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccccc1 ZINC000792947754 1078032307 /nfs/dbraw/zinc/03/23/07/1078032307.db2.gz OJWXANKSFLFXLJ-OAHLLOKOSA-N 1 0 419.323 2.982 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)nc1Br ZINC000792947806 1078032493 /nfs/dbraw/zinc/03/24/93/1078032493.db2.gz QOMKYALQJLIJLM-CQSZACIVSA-N 1 0 423.286 2.649 20 0 HFADRO CC[NH+]1CCC(CNC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792962130 1078036677 /nfs/dbraw/zinc/03/66/77/1078036677.db2.gz ZREQQSCKDFYOPP-QFIPXVFZSA-N 1 0 402.539 2.819 20 0 HFADRO Fc1ccc(I)c(F)c1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000792967716 1078037769 /nfs/dbraw/zinc/03/77/69/1078037769.db2.gz AOQCFDVOGURYKU-QWRGUYRKSA-N 1 0 408.230 2.522 20 0 HFADRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3cccc(Br)n3)CC2)CC1 ZINC000792983796 1078040613 /nfs/dbraw/zinc/04/06/13/1078040613.db2.gz HIRQYZYWYLQMMQ-UHFFFAOYSA-N 1 0 409.328 2.506 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000792988555 1078041623 /nfs/dbraw/zinc/04/16/23/1078041623.db2.gz FCIDNFLJCSEHFM-YZGWKJHDSA-N 1 0 414.550 2.960 20 0 HFADRO C[C@H](CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000792990241 1078042309 /nfs/dbraw/zinc/04/23/09/1078042309.db2.gz SINGTOFAVZOKLW-MJGOQNOKSA-N 1 0 402.539 2.817 20 0 HFADRO C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1nnnn1C1CC1 ZINC000790490357 1078043020 /nfs/dbraw/zinc/04/30/20/1078043020.db2.gz NNGJKVJNSIXBBP-ABAIWWIYSA-N 1 0 411.432 2.690 20 0 HFADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000806239887 1079516366 /nfs/dbraw/zinc/51/63/66/1079516366.db2.gz ROOLAQBOEUWAAP-QFIPXVFZSA-N 1 0 423.561 2.649 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000806254294 1079523849 /nfs/dbraw/zinc/52/38/49/1079523849.db2.gz UGPWKBULNMZLQJ-OAHLLOKOSA-N 1 0 414.319 2.585 20 0 HFADRO CCOC(=O)c1sc2c(ccnc2Br)c1NCCN(C)CC[NH3+] ZINC001170504428 1079529288 /nfs/dbraw/zinc/52/92/88/1079529288.db2.gz GTALNNKPSGDKBP-UHFFFAOYSA-N 1 0 401.330 2.538 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CCC2 ZINC000806298762 1079549606 /nfs/dbraw/zinc/54/96/06/1079549606.db2.gz OIJGHWCGGDQQID-ZWOKBUDYSA-N 1 0 415.582 2.727 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000806298474 1079550808 /nfs/dbraw/zinc/55/08/08/1079550808.db2.gz IMQGBXGFRHRTKQ-SOAGJPPSSA-N 1 0 415.582 2.871 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CCC2 ZINC000806301772 1079554164 /nfs/dbraw/zinc/55/41/64/1079554164.db2.gz WLPUFMZQYKPKBU-JRGCBEDISA-N 1 0 423.561 2.737 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000806307343 1079560230 /nfs/dbraw/zinc/56/02/30/1079560230.db2.gz CEWSIOSAMSWHCU-AZUAARDMSA-N 1 0 420.554 2.950 20 0 HFADRO COc1cccc([C@H](CNC(=O)N2CCCC[C@H]2COC(=O)N(C)C)[NH+](C)C)c1 ZINC000806308552 1079562390 /nfs/dbraw/zinc/56/23/90/1079562390.db2.gz VBWRSKQJDWHJLL-HKUYNNGSSA-N 1 0 406.527 2.560 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)CCC2 ZINC000806295987 1079583876 /nfs/dbraw/zinc/58/38/76/1079583876.db2.gz VMYRHSWVNAOYPX-RBUKOAKNSA-N 1 0 415.513 2.516 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[NH+](CC3CCCCC3)CC1)CCC2 ZINC000806295450 1079584424 /nfs/dbraw/zinc/58/44/24/1079584424.db2.gz PTDAJBFIOFRSDR-HXUWFJFHSA-N 1 0 415.582 2.682 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CCCCCC1 ZINC000806319983 1079590926 /nfs/dbraw/zinc/59/09/26/1079590926.db2.gz WSIMLGGSTPMNTA-MOPGFXCFSA-N 1 0 424.586 2.720 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)C1 ZINC000806321838 1079592870 /nfs/dbraw/zinc/59/28/70/1079592870.db2.gz AVIHDTQBZUIZMW-WOJBJXKFSA-N 1 0 424.586 2.576 20 0 HFADRO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c12 ZINC000747325400 1079601231 /nfs/dbraw/zinc/60/12/31/1079601231.db2.gz IRELCGOMKNDRIR-ZWKOTPCHSA-N 1 0 405.502 2.537 20 0 HFADRO Cc1cc(NC(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000806334749 1079605653 /nfs/dbraw/zinc/60/56/53/1079605653.db2.gz USHCMOLTGVSWFF-GOSISDBHSA-N 1 0 420.558 2.979 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)[NH+](C)C)cc1 ZINC000806382662 1079632376 /nfs/dbraw/zinc/63/23/76/1079632376.db2.gz QXOFVQCZDCJWQK-FQEVSTJZSA-N 1 0 423.521 2.552 20 0 HFADRO C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613978 1079641631 /nfs/dbraw/zinc/64/16/31/1079641631.db2.gz NZMUACPKKBASQB-VGSWGCGISA-N 1 0 400.544 2.974 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806423766 1079668450 /nfs/dbraw/zinc/66/84/50/1079668450.db2.gz DHXWUXXXTLWRCJ-PKTZIBPZSA-N 1 0 423.557 2.658 20 0 HFADRO COCC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000806427682 1079673125 /nfs/dbraw/zinc/67/31/25/1079673125.db2.gz NDQJJVSGITZJGL-QZTJIDSGSA-N 1 0 424.586 2.576 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000806429230 1079674053 /nfs/dbraw/zinc/67/40/53/1079674053.db2.gz RNAPLFZNZYZCET-WSTZPKSXSA-N 1 0 406.571 2.903 20 0 HFADRO CCN(CCCC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1)c1ccc2c(=O)[nH][nH]c(=O)c2c1 ZINC001170507541 1079675380 /nfs/dbraw/zinc/67/53/80/1079675380.db2.gz CNCFPHHYGFUDKW-HUUCEWRRSA-N 1 0 402.495 2.579 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)Cc1ccccc1 ZINC000806393961 1079683284 /nfs/dbraw/zinc/68/32/84/1079683284.db2.gz YINCSABGEVVURK-PMACEKPBSA-N 1 0 404.555 2.860 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000806404920 1079692917 /nfs/dbraw/zinc/69/29/17/1079692917.db2.gz LFGAJQSLBPBPOV-PMACEKPBSA-N 1 0 424.586 2.578 20 0 HFADRO CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1c1cn(C)cn1 ZINC001130633061 1079718215 /nfs/dbraw/zinc/71/82/15/1079718215.db2.gz YNEYEQBXRNPFNQ-SXFAUFNYSA-N 1 0 402.583 2.947 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000806462657 1079735322 /nfs/dbraw/zinc/73/53/22/1079735322.db2.gz ICBJKMAFRFATKU-HXUWFJFHSA-N 1 0 417.554 2.698 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000806462729 1079735408 /nfs/dbraw/zinc/73/54/08/1079735408.db2.gz KSVJCAKLWPFZKW-HXUWFJFHSA-N 1 0 417.554 2.746 20 0 HFADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000806465159 1079736213 /nfs/dbraw/zinc/73/62/13/1079736213.db2.gz SWODLHJVGWSYEV-NRFANRHFSA-N 1 0 421.925 2.614 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2cccnc2-n2ccnc2C)cc1 ZINC000806506524 1079757877 /nfs/dbraw/zinc/75/78/77/1079757877.db2.gz XHOSJVMGQZCMBB-HXUWFJFHSA-N 1 0 408.506 2.686 20 0 HFADRO Cc1ccc(CC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(Cl)n1 ZINC000806543847 1079782490 /nfs/dbraw/zinc/78/24/90/1079782490.db2.gz KSVXBISKBGOALS-UHFFFAOYSA-N 1 0 408.974 2.529 20 0 HFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1ccnc(N2CCOCC2)n1 ZINC001130672845 1079823720 /nfs/dbraw/zinc/82/37/20/1079823720.db2.gz KSJQEQHWHCEUSE-UHFFFAOYSA-N 1 0 413.547 2.753 20 0 HFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806596733 1079840240 /nfs/dbraw/zinc/84/02/40/1079840240.db2.gz BQTNPQUUNKZKRK-KRWDZBQOSA-N 1 0 414.937 2.517 20 0 HFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000806599448 1079841931 /nfs/dbraw/zinc/84/19/31/1079841931.db2.gz SJVUQXMOGDIRCZ-UHFFFAOYSA-N 1 0 414.937 2.517 20 0 HFADRO CC(C)Cc1ccc([C@H](CNC(=S)NCCCN2CCOCC2)[NH+](C)C)cc1 ZINC000806603093 1079844742 /nfs/dbraw/zinc/84/47/42/1079844742.db2.gz GKKUBWPMOPVDTA-NRFANRHFSA-N 1 0 406.640 2.674 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000806612657 1079855502 /nfs/dbraw/zinc/85/55/02/1079855502.db2.gz JDMWGDUKMFODST-SUMWQHHRSA-N 1 0 405.417 2.800 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000747341997 1079873725 /nfs/dbraw/zinc/87/37/25/1079873725.db2.gz JIVMWTSEYNLECZ-MQSCRBSSSA-N 1 0 404.514 2.973 20 0 HFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747341881 1079875124 /nfs/dbraw/zinc/87/51/24/1079875124.db2.gz INNACQQYFUUEQX-SJORKVTESA-N 1 0 406.889 2.625 20 0 HFADRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC000806624086 1079881765 /nfs/dbraw/zinc/88/17/65/1079881765.db2.gz CZOHMKVSRZUCEF-LBPRGKRZSA-N 1 0 406.342 2.856 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2COC(=O)N(C)C)[NH+]2CCCC2)o1 ZINC000806672466 1079906261 /nfs/dbraw/zinc/90/62/61/1079906261.db2.gz DDOBLIQHYXVFDB-ZWKOTPCHSA-N 1 0 406.527 2.987 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000806738411 1079930167 /nfs/dbraw/zinc/93/01/67/1079930167.db2.gz CZDCRETXIUQSBA-VBQJREDUSA-N 1 0 402.322 2.579 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000806724618 1079948110 /nfs/dbraw/zinc/94/81/10/1079948110.db2.gz YTJPFKZFDVLQQR-QRWLVFNGSA-N 1 0 410.518 2.877 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000806727004 1079951403 /nfs/dbraw/zinc/95/14/03/1079951403.db2.gz LBYWZLADWHNMDB-SFTDATJTSA-N 1 0 416.566 2.861 20 0 HFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NCc3ccc(C(C)(C)O)cc3)C2)CC1 ZINC000806728929 1079953427 /nfs/dbraw/zinc/95/34/27/1079953427.db2.gz UOVVOFAJKAQWGF-HXUWFJFHSA-N 1 0 415.578 2.501 20 0 HFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCc3ccc(C(C)(C)O)cc3)C2)CC1 ZINC000806728927 1079953510 /nfs/dbraw/zinc/95/35/10/1079953510.db2.gz UOVVOFAJKAQWGF-FQEVSTJZSA-N 1 0 415.578 2.501 20 0 HFADRO COc1ccc([C@H](CNC(=O)CSc2n[n-]c(=S)s2)[NH+]2CCCC2)cc1 ZINC000747348067 1079970169 /nfs/dbraw/zinc/97/01/69/1079970169.db2.gz JSLKVXQGRXZQNV-AWEZNQCLSA-N 1 0 410.590 2.881 20 0 HFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000806778805 1080004485 /nfs/dbraw/zinc/00/44/85/1080004485.db2.gz AAVXJJHXGZHGBI-PMACEKPBSA-N 1 0 424.586 2.720 20 0 HFADRO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806791121 1080012124 /nfs/dbraw/zinc/01/21/24/1080012124.db2.gz ZAPVSZDCHDPSJC-UHYCVJNDSA-N 1 0 415.534 2.548 20 0 HFADRO O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806804259 1080020925 /nfs/dbraw/zinc/02/09/25/1080020925.db2.gz JBSMOMVFZWSZDS-KRWDZBQOSA-N 1 0 419.501 2.510 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000806862861 1080065669 /nfs/dbraw/zinc/06/56/69/1080065669.db2.gz REUOCBKDNCNKRW-RTWAWAEBSA-N 1 0 410.518 2.711 20 0 HFADRO C[C@H](CNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000806865121 1080066712 /nfs/dbraw/zinc/06/67/12/1080066712.db2.gz PRGUFJSAOCQJCE-QPPBQGQZSA-N 1 0 424.589 2.815 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000806878137 1080077451 /nfs/dbraw/zinc/07/74/51/1080077451.db2.gz MPVBFXBZOPZVAE-UHFFFAOYSA-N 1 0 415.559 2.942 20 0 HFADRO Cn1ncc(NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1-c1ccccc1 ZINC000806933689 1080097774 /nfs/dbraw/zinc/09/77/74/1080097774.db2.gz MYRATLNVKXAPRJ-UHFFFAOYSA-N 1 0 409.534 2.939 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000806890972 1080098862 /nfs/dbraw/zinc/09/88/62/1080098862.db2.gz GDNBCROSVZQKFM-KRWDZBQOSA-N 1 0 408.543 2.900 20 0 HFADRO C[C@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806964927 1080131557 /nfs/dbraw/zinc/13/15/57/1080131557.db2.gz HNGGZFMHVSEXHV-HKUYNNGSSA-N 1 0 409.530 2.879 20 0 HFADRO Cc1ccc(CC(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)c(Cl)n1 ZINC000806963985 1080133128 /nfs/dbraw/zinc/13/31/28/1080133128.db2.gz UJFUEDXWIJKSSD-UHFFFAOYSA-N 1 0 402.926 2.851 20 0 HFADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC12OCCO2 ZINC000807006474 1080184233 /nfs/dbraw/zinc/18/42/33/1080184233.db2.gz QNWOHTLCFHOESY-NRFANRHFSA-N 1 0 402.535 2.717 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000807027085 1080222021 /nfs/dbraw/zinc/22/20/21/1080222021.db2.gz NUBMTYGJCWLTKD-INIZCTEOSA-N 1 0 423.989 2.765 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)N2CCC(C3(C)OCCO3)CC2)c1-c1ccccc1 ZINC000807035090 1080226606 /nfs/dbraw/zinc/22/66/06/1080226606.db2.gz FPJRYXVRLLPOGK-UHFFFAOYSA-N 1 0 412.534 2.727 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000807037790 1080227499 /nfs/dbraw/zinc/22/74/99/1080227499.db2.gz CBQXMWLFCKCCGR-VXKWHMMOSA-N 1 0 424.545 2.788 20 0 HFADRO C[C@H]1[C@@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000807038475 1080229049 /nfs/dbraw/zinc/22/90/49/1080229049.db2.gz HRKKUAQUVHTDHP-LPHOPBHVSA-N 1 0 402.539 2.816 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807072444 1080255744 /nfs/dbraw/zinc/25/57/44/1080255744.db2.gz PONNANXFPBMHAL-DEOSSOPVSA-N 1 0 409.530 2.881 20 0 HFADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807088330 1080266792 /nfs/dbraw/zinc/26/67/92/1080266792.db2.gz OKFBSLCTIIOYSQ-JOCHJYFZSA-N 1 0 415.578 2.849 20 0 HFADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[C@@H]1c1ccccc1 ZINC000807088254 1080266869 /nfs/dbraw/zinc/26/68/69/1080266869.db2.gz NERQWHNUAFJPPB-ZRBLBEILSA-N 1 0 421.541 2.832 20 0 HFADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807092016 1080270648 /nfs/dbraw/zinc/27/06/48/1080270648.db2.gz MZMJRBXEMVDWKW-NRFANRHFSA-N 1 0 415.578 2.851 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N(C)OCc1ccccc1 ZINC000807115070 1080291568 /nfs/dbraw/zinc/29/15/68/1080291568.db2.gz VAVGZPBNHKODGL-NGRWLJPCSA-N 1 0 409.530 2.849 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000807116924 1080292478 /nfs/dbraw/zinc/29/24/78/1080292478.db2.gz RALNIWRUOJIVOI-QFQXNSOFSA-N 1 0 419.569 2.936 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000807119233 1080294820 /nfs/dbraw/zinc/29/48/20/1080294820.db2.gz OYJIGHKXCWCHEL-OAQYLSRUSA-N 1 0 407.558 2.541 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 ZINC000807123167 1080296222 /nfs/dbraw/zinc/29/62/22/1080296222.db2.gz GEGZJEYHCLSVPQ-SWCONJRYSA-N 1 0 412.534 2.823 20 0 HFADRO COC1(CNC(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCCC1 ZINC000807137181 1080298289 /nfs/dbraw/zinc/29/82/89/1080298289.db2.gz ZBMMLVBUJRDIQN-SFHVURJKSA-N 1 0 424.586 2.672 20 0 HFADRO CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)N3CC[NH+]4CCC3CC4)cc2C1 ZINC000807154879 1080311273 /nfs/dbraw/zinc/31/12/73/1080311273.db2.gz PIZJJLOQVIZZEH-UHFFFAOYSA-N 1 0 400.523 2.927 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)NCCCNC(=O)/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000807212424 1080362492 /nfs/dbraw/zinc/36/24/92/1080362492.db2.gz CEBCTXQBDFCJKL-XEGHISHKSA-N 1 0 412.509 2.947 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000807181261 1080375313 /nfs/dbraw/zinc/37/53/13/1080375313.db2.gz PJLKLSFSYLYSAB-OALUTQOASA-N 1 0 412.575 2.578 20 0 HFADRO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807246627 1080403554 /nfs/dbraw/zinc/40/35/54/1080403554.db2.gz NDNVERQGCXJQNN-DCCYDQLOSA-N 1 0 407.599 2.857 20 0 HFADRO COCC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807265556 1080417456 /nfs/dbraw/zinc/41/74/56/1080417456.db2.gz GAXOEZJMMBWLPB-MSOLQXFVSA-N 1 0 424.586 2.528 20 0 HFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895655 1080432494 /nfs/dbraw/zinc/43/24/94/1080432494.db2.gz UADJQUNRIVEBRJ-STQMWFEESA-N 1 0 420.000 2.544 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1nc(C)cc(C(=O)OC)n1 ZINC001170521972 1080491109 /nfs/dbraw/zinc/49/11/09/1080491109.db2.gz RUDFXJNLIFOURL-UHFFFAOYSA-N 1 0 410.474 2.707 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)OC)cc1)c1ccco1 ZINC000807310672 1080504357 /nfs/dbraw/zinc/50/43/57/1080504357.db2.gz PHFBUHXRLIQDRR-CZUORRHYSA-N 1 0 402.451 2.642 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccco1 ZINC000807310567 1080505363 /nfs/dbraw/zinc/50/53/63/1080505363.db2.gz NBWVTUMZDNZFFK-RYUDHWBXSA-N 1 0 409.284 2.621 20 0 HFADRO CCN1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@@H](C)C1 ZINC000807318857 1080512366 /nfs/dbraw/zinc/51/23/66/1080512366.db2.gz LJKVQXFXZSFVLH-ZDUSSCGKSA-N 1 0 408.474 2.664 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807354073 1080515198 /nfs/dbraw/zinc/51/51/98/1080515198.db2.gz DXKBXGXWERKEJJ-WBVHZDCISA-N 1 0 420.504 2.979 20 0 HFADRO Cc1ccc([C@@H](O)[C@H](C)NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000807348012 1080553784 /nfs/dbraw/zinc/55/37/84/1080553784.db2.gz SCPOHXPKDIDSCO-AVRDEDQJSA-N 1 0 409.530 2.810 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c([C@H](C)O)c3)cc2)CC1 ZINC000807398312 1080563723 /nfs/dbraw/zinc/56/37/23/1080563723.db2.gz PMDAMFYCVSHAMI-HNNXBMFYSA-N 1 0 414.481 2.598 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)[NH+](C)C ZINC000807406393 1080599960 /nfs/dbraw/zinc/59/99/60/1080599960.db2.gz MLPIGBDMNHNALU-QIJZPMMNSA-N 1 0 413.566 2.875 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)nc1Br ZINC000807413197 1080608890 /nfs/dbraw/zinc/60/88/90/1080608890.db2.gz FVIRXNAENOYNSF-UHFFFAOYSA-N 1 0 423.311 2.665 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807453406 1080632845 /nfs/dbraw/zinc/63/28/45/1080632845.db2.gz NGIDQABSVGTFDU-UWJYYQICSA-N 1 0 408.502 2.684 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000807454275 1080634253 /nfs/dbraw/zinc/63/42/53/1080634253.db2.gz USHVUCLFASUNHE-CRAIPNDOSA-N 1 0 404.942 2.964 20 0 HFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000807459331 1080635966 /nfs/dbraw/zinc/63/59/66/1080635966.db2.gz ZAAHIWABEBAEQK-ZDUSSCGKSA-N 1 0 416.385 2.980 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000807441115 1080661859 /nfs/dbraw/zinc/66/18/59/1080661859.db2.gz AGJJHTUNYIOYPT-AHIWAGSCSA-N 1 0 405.417 2.846 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)c1ccco1 ZINC000807441945 1080663431 /nfs/dbraw/zinc/66/34/31/1080663431.db2.gz SBDLDYKHXIZWPK-FAJBIJEISA-N 1 0 403.527 2.598 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC([C@H](O)c2nccn2C)CC1)c1ccco1 ZINC000807443537 1080664685 /nfs/dbraw/zinc/66/46/85/1080664685.db2.gz NIVOOHLCDDADPU-WDYCEAGBSA-N 1 0 403.527 2.598 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000807506596 1080709528 /nfs/dbraw/zinc/70/95/28/1080709528.db2.gz HPEKJIAPLQFTPO-DEOSSOPVSA-N 1 0 415.578 2.515 20 0 HFADRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)Nc1ccc(C2(O)COC2)cc1 ZINC000807532362 1080745044 /nfs/dbraw/zinc/74/50/44/1080745044.db2.gz GDQSXXVXXKDQGY-UHFFFAOYSA-N 1 0 423.513 2.510 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)C(F)(F)F)cc2Cl)CC1 ZINC000807541672 1080757703 /nfs/dbraw/zinc/75/77/03/1080757703.db2.gz SAOHCLZNCCEHRQ-LBPRGKRZSA-N 1 0 420.863 2.878 20 0 HFADRO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)cc2C1 ZINC000807543634 1080760487 /nfs/dbraw/zinc/76/04/87/1080760487.db2.gz JWYCSGXZPOGWTB-NPFVIJTESA-N 1 0 407.514 2.518 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807547005 1080762957 /nfs/dbraw/zinc/76/29/57/1080762957.db2.gz VKSRMJXREMJHMG-OIBXWCBGSA-N 1 0 423.557 2.514 20 0 HFADRO COC[C@@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000807550827 1080767230 /nfs/dbraw/zinc/76/72/30/1080767230.db2.gz KPVPJKCHIRIEBC-GCJKJVERSA-N 1 0 424.586 2.672 20 0 HFADRO CN(CC(F)(F)Br)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000807529453 1080781168 /nfs/dbraw/zinc/78/11/68/1080781168.db2.gz ULLTWCVTEULHPO-UHFFFAOYSA-N 1 0 418.282 2.710 20 0 HFADRO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C[C@H]1c1ccc(O)cc1 ZINC001170527963 1080783529 /nfs/dbraw/zinc/78/35/29/1080783529.db2.gz SHFFVIORBPTUHI-YZGWKJHDSA-N 1 0 410.470 2.502 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807582898 1080794974 /nfs/dbraw/zinc/79/49/74/1080794974.db2.gz WIACLPMSTQSCRV-YLJYHZDGSA-N 1 0 414.575 2.733 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807582897 1080795004 /nfs/dbraw/zinc/79/50/04/1080795004.db2.gz WIACLPMSTQSCRV-XLIONFOSSA-N 1 0 414.575 2.733 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807553220 1080802641 /nfs/dbraw/zinc/80/26/41/1080802641.db2.gz GYQCFGSPDCACHC-PGRDOPGGSA-N 1 0 424.586 2.672 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554379 1080803166 /nfs/dbraw/zinc/80/31/66/1080803166.db2.gz TWRHDXLVJYLNTC-NJNPRVFISA-N 1 0 424.586 2.528 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1OC ZINC001198230188 1126155874 /nfs/dbraw/zinc/15/58/74/1126155874.db2.gz PHQVYPHZOAENLX-XMMPIXPASA-N 1 0 414.546 2.619 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Br)nc2N)cc1OC ZINC001473839849 1126200001 /nfs/dbraw/zinc/20/00/01/1126200001.db2.gz KZPIHFJMDDPCOC-SFHVURJKSA-N 1 0 410.312 2.527 20 0 HFADRO Cn1cc(-c2cc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)on2)cn1 ZINC001559998310 1126207445 /nfs/dbraw/zinc/20/74/45/1126207445.db2.gz ZUDYNBLQJNFLKJ-LJQANCHMSA-N 1 0 417.307 2.847 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)cc1OC ZINC001560184051 1126209686 /nfs/dbraw/zinc/20/96/86/1126209686.db2.gz DNCJQPLUWMUUAC-OAQYLSRUSA-N 1 0 416.547 2.991 20 0 HFADRO OC[C@@]1([NH2+]Cc2cnn(CC(F)F)c2)CCc2cc(Br)ccc2C1 ZINC001560531974 1126211670 /nfs/dbraw/zinc/21/16/70/1126211670.db2.gz CJHPRLOPMFYSSH-QGZVFWFLSA-N 1 0 400.267 2.920 20 0 HFADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164392236 718826168 /nfs/dbraw/zinc/82/61/68/718826168.db2.gz ZNDXVEUBIQTPIO-RDJZCZTQSA-N 1 0 410.852 2.918 20 0 HFADRO COc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164390080 718826247 /nfs/dbraw/zinc/82/62/47/718826247.db2.gz LUBSQZKJQFKPPG-WBVHZDCISA-N 1 0 410.852 2.918 20 0 HFADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399532 718836957 /nfs/dbraw/zinc/83/69/57/718836957.db2.gz YXZASTCEWDNGDJ-OAHLLOKOSA-N 1 0 418.900 2.812 20 0 HFADRO OC[C@@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164401609 718854192 /nfs/dbraw/zinc/85/41/92/718854192.db2.gz CJSSMOBUVPUGSI-LPHOPBHVSA-N 1 0 409.864 2.877 20 0 HFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164423264 718941389 /nfs/dbraw/zinc/94/13/89/718941389.db2.gz FWTVVYJWUDSYRO-HZPDHXFCSA-N 1 0 421.879 2.587 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164433788 718967793 /nfs/dbraw/zinc/96/77/93/718967793.db2.gz NFGXHAFZDUZBPR-ZIAGYGMSSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)c1cnc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c(C)c1 ZINC001164613784 719024006 /nfs/dbraw/zinc/02/40/06/719024006.db2.gz DRBIJGWKRBJATA-UHFFFAOYSA-N 1 0 403.523 2.811 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)cc3/C=C/C(=O)OC)CC2)CC1 ZINC001164618008 719030346 /nfs/dbraw/zinc/03/03/46/719030346.db2.gz UKSGBAVRQRUAIM-AATRIKPKSA-N 1 0 415.534 2.820 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN([C@H](F)Oc3cncc(Cl)n3)CC2)CC1 ZINC001164617637 719034452 /nfs/dbraw/zinc/03/44/52/719034452.db2.gz OKKKTGUDLATRAD-SFHVURJKSA-N 1 0 400.882 2.501 20 0 HFADRO NC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164621279 719043880 /nfs/dbraw/zinc/04/38/80/719043880.db2.gz IEWXDRDGYIRHEE-DNVCBOLYSA-N 1 0 406.864 2.962 20 0 HFADRO COC(=O)c1nc2cnccc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629782 719083513 /nfs/dbraw/zinc/08/35/13/719083513.db2.gz ZATPHLDRJJGNBM-PXNSSMCTSA-N 1 0 403.486 2.912 20 0 HFADRO COC(=O)c1nc2cnccc2c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164629783 719083961 /nfs/dbraw/zinc/08/39/61/719083961.db2.gz ZATPHLDRJJGNBM-XLIONFOSSA-N 1 0 403.486 2.912 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](OCC(=O)NC)CO3)CC2)nc1 ZINC001164678099 719555382 /nfs/dbraw/zinc/55/53/82/719555382.db2.gz VNZRXOFPGVGDHF-UXHICEINSA-N 1 0 416.566 2.519 20 0 HFADRO Cn1ncc2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@H]2COc1cccnc1 ZINC001164683709 719598912 /nfs/dbraw/zinc/59/89/12/719598912.db2.gz ICVIRWPGGOLGCV-IBGZPJMESA-N 1 0 404.518 2.989 20 0 HFADRO CCOC(=O)c1c(C)nc(Cl)cc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685259 719614807 /nfs/dbraw/zinc/61/48/07/719614807.db2.gz UIXKCTDDYPZVIB-UHFFFAOYSA-N 1 0 405.930 2.892 20 0 HFADRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(Cl)nc(=S)[nH]2)c2c1CC[NH2+]C2 ZINC001164679745 719634104 /nfs/dbraw/zinc/63/41/04/719634104.db2.gz LKQUHSATBHXQCH-UHFFFAOYSA-N 1 0 402.902 2.699 20 0 HFADRO COc1nccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684467 719656554 /nfs/dbraw/zinc/65/65/54/719656554.db2.gz XNCSKIXLIJQHFQ-SFHVURJKSA-N 1 0 423.561 2.579 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164685970 719717950 /nfs/dbraw/zinc/71/79/50/719717950.db2.gz OAANYIIYWHMPBG-OAHLLOKOSA-N 1 0 413.591 2.997 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164686787 719726165 /nfs/dbraw/zinc/72/61/65/719726165.db2.gz SOJOWQCACMKHQK-UHFFFAOYSA-N 1 0 405.974 2.512 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164687371 719731570 /nfs/dbraw/zinc/73/15/70/719731570.db2.gz WLUUUOCKHXGSTH-UHFFFAOYSA-N 1 0 413.953 2.902 20 0 HFADRO COC(=O)c1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)ncc1N ZINC001164693914 719806580 /nfs/dbraw/zinc/80/65/80/719806580.db2.gz SEYBFCVQQMMDDY-UHFFFAOYSA-N 1 0 401.536 2.850 20 0 HFADRO COC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1F ZINC001164694681 719889919 /nfs/dbraw/zinc/88/99/19/719889919.db2.gz CCPJPQPPNAGFDS-UHFFFAOYSA-N 1 0 405.495 2.940 20 0 HFADRO NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696916 719893002 /nfs/dbraw/zinc/89/30/02/719893002.db2.gz IHWBZPNVHQNLMR-UHFFFAOYSA-N 1 0 406.939 2.767 20 0 HFADRO CCN(C)c1ccnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164712020 720092903 /nfs/dbraw/zinc/09/29/03/720092903.db2.gz UDHDZQLLNYWHSR-HXUWFJFHSA-N 1 0 410.566 2.835 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cccnc31)CC2 ZINC001164712038 720101414 /nfs/dbraw/zinc/10/14/14/720101414.db2.gz ULNCQFNMCVWOLD-LJQANCHMSA-N 1 0 404.518 2.927 20 0 HFADRO CCOC(=O)c1cc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2[nH]1 ZINC001164809057 720102016 /nfs/dbraw/zinc/10/20/16/720102016.db2.gz GNPGGEZWSISTAF-FDDCHVKYSA-N 1 0 412.534 2.924 20 0 HFADRO Cn1nnc2c1CCN([C@H](F)c1ccnc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715386 720181871 /nfs/dbraw/zinc/18/18/71/720181871.db2.gz ALHZBYQEGKJDQG-APWZRJJASA-N 1 0 408.909 2.543 20 0 HFADRO Cn1nnc2c1CCN(c1ccc3ccc(F)cc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718292 720198125 /nfs/dbraw/zinc/19/81/25/720198125.db2.gz ZHRZNKPDSZXDKK-HXUWFJFHSA-N 1 0 410.497 2.719 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)C2 ZINC001164811834 720201575 /nfs/dbraw/zinc/20/15/75/720201575.db2.gz KFSJRZDRSVHJKZ-WDUKFBBWSA-N 1 0 422.957 2.591 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)n2)CC1 ZINC001164818507 720285359 /nfs/dbraw/zinc/28/53/59/720285359.db2.gz LYUHTJOORLKSJL-CABCVRRESA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3[nH]cc(F)c32)CC1 ZINC001164817586 720288581 /nfs/dbraw/zinc/28/85/81/720288581.db2.gz DQOLFGHJROLELK-LSDHHAIUSA-N 1 0 420.920 2.662 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)nc2)CC1 ZINC001164818911 720302335 /nfs/dbraw/zinc/30/23/35/720302335.db2.gz BNIQJLUYZUVOQQ-JKSUJKDBSA-N 1 0 413.900 2.586 20 0 HFADRO COc1ccc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164826764 720304677 /nfs/dbraw/zinc/30/46/77/720304677.db2.gz WKEMHZKEJWOLBJ-NHCUHLMSSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3ncccc3nc2Cl)CC1 ZINC001164831941 720317184 /nfs/dbraw/zinc/31/71/84/720317184.db2.gz SINHEXYWZKWAHE-IRXDYDNUSA-N 1 0 414.941 2.590 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828956 720318482 /nfs/dbraw/zinc/31/84/82/720318482.db2.gz KSSXYWRIWYKYIH-SFTDATJTSA-N 1 0 409.534 2.550 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164824737 720321847 /nfs/dbraw/zinc/32/18/47/720321847.db2.gz CZLLVVFGNYOIOL-LEWJYISDSA-N 1 0 409.534 2.550 20 0 HFADRO COc1ccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(C)c2c1 ZINC001164823883 720324280 /nfs/dbraw/zinc/32/42/80/720324280.db2.gz BOCBLUGREQTMCF-YADHBBJMSA-N 1 0 423.561 2.858 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3nc[nH]c3cc2Cl)CC1 ZINC001164831439 720325111 /nfs/dbraw/zinc/32/51/11/720325111.db2.gz SAYMLFUOSXRJTN-DLBZAZTESA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cncc(Cl)n2)CC1 ZINC001164826184 720332042 /nfs/dbraw/zinc/33/20/42/720332042.db2.gz FNSMHPAIMCILIS-LSDHHAIUSA-N 1 0 413.900 2.586 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833982 720334931 /nfs/dbraw/zinc/33/49/31/720334931.db2.gz YJUOGPVZDVEMOL-HUUCEWRRSA-N 1 0 409.987 2.763 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833978 720334978 /nfs/dbraw/zinc/33/49/78/720334978.db2.gz YJUOGPVZDVEMOL-CABCVRRESA-N 1 0 409.987 2.763 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc(-c3cccc(F)c3)n2)CC1 ZINC001164825990 720342944 /nfs/dbraw/zinc/34/29/44/720342944.db2.gz KBPGGHKGGLZDHS-VQTJNVASSA-N 1 0 424.524 2.589 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc(-c3cccc(F)c3)n2)CC1 ZINC001164825984 720342995 /nfs/dbraw/zinc/34/29/95/720342995.db2.gz KBPGGHKGGLZDHS-PMACEKPBSA-N 1 0 424.524 2.589 20 0 HFADRO c1cc2nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729889 720348178 /nfs/dbraw/zinc/34/81/78/720348178.db2.gz YTUBGJSIXNZSMY-RTBURBONSA-N 1 0 422.558 2.776 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735125 720414768 /nfs/dbraw/zinc/41/47/68/720414768.db2.gz WGISKLJWYAHQCB-PMACEKPBSA-N 1 0 409.534 2.807 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(CN(C)C(C)=O)nnc3C2)nc1 ZINC001164828546 720415293 /nfs/dbraw/zinc/41/52/93/720415293.db2.gz XDGVIQNKJWMXMB-LJQANCHMSA-N 1 0 411.554 2.609 20 0 HFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164730257 720428394 /nfs/dbraw/zinc/42/83/94/720428394.db2.gz IXZSLOMQHJWTHF-LSDHHAIUSA-N 1 0 412.881 2.646 20 0 HFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731556 720482194 /nfs/dbraw/zinc/48/21/94/720482194.db2.gz WKTIRMRBEWZHIK-VNQPRFMTSA-N 1 0 401.898 2.655 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836551 720504539 /nfs/dbraw/zinc/50/45/39/720504539.db2.gz NESCFYGSAYGFBB-NJDAHSKKSA-N 1 0 409.582 2.960 20 0 HFADRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C(N)=O ZINC001164839404 720510962 /nfs/dbraw/zinc/51/09/62/720510962.db2.gz UAYJFAYQDWFLSK-IXDOHACOSA-N 1 0 416.957 2.717 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc(C(=O)NC3CCCC3)cc2Cl)C1 ZINC001164733841 720525812 /nfs/dbraw/zinc/52/58/12/720525812.db2.gz LWHCNIZNPPHGBH-OAHLLOKOSA-N 1 0 416.957 2.802 20 0 HFADRO Cc1ccc(-c2nc3c(ncnc3N3Cc4nccn4C[C@H](C[NH+](C)C)C3)o2)cc1 ZINC001164735149 720525884 /nfs/dbraw/zinc/52/58/84/720525884.db2.gz VDFMTXCEVRNLCK-INIZCTEOSA-N 1 0 403.490 2.988 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)C1 ZINC001164736534 720530602 /nfs/dbraw/zinc/53/06/02/720530602.db2.gz ZHFFRNQAOXLBSW-GFCCVEGCSA-N 1 0 423.855 2.724 20 0 HFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164734166 720554011 /nfs/dbraw/zinc/55/40/11/720554011.db2.gz XAWRUDJQFKKICL-UHFFFAOYSA-N 1 0 404.518 2.911 20 0 HFADRO COc1cc2ncc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2cc1OC ZINC001164729682 720560687 /nfs/dbraw/zinc/56/06/87/720560687.db2.gz SUFAEAAZSQKZFM-UHFFFAOYSA-N 1 0 408.506 2.502 20 0 HFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164736120 720589495 /nfs/dbraw/zinc/58/94/95/720589495.db2.gz DBTXTULIKWGMHJ-UHFFFAOYSA-N 1 0 415.545 2.882 20 0 HFADRO Clc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164740190 720637271 /nfs/dbraw/zinc/63/72/71/720637271.db2.gz HQGDOPTVWMOYAA-MSOLQXFVSA-N 1 0 408.893 2.929 20 0 HFADRO Clc1cc(-c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)ccn1 ZINC001164743103 720655570 /nfs/dbraw/zinc/65/55/70/720655570.db2.gz OYNFMRNPNBNQPS-MSOLQXFVSA-N 1 0 408.893 2.929 20 0 HFADRO Fc1cccc(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164743390 720743624 /nfs/dbraw/zinc/74/36/24/720743624.db2.gz PUVJDUXGSVDJIL-AEFFLSMTSA-N 1 0 408.437 2.540 20 0 HFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741489 720749610 /nfs/dbraw/zinc/74/96/10/720749610.db2.gz MRVWXMIDTUCESH-HUUCEWRRSA-N 1 0 413.913 2.798 20 0 HFADRO c1ccc(COc2cccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164746933 720755306 /nfs/dbraw/zinc/75/53/06/720755306.db2.gz YYPSTFKIQMCJKA-WOJBJXKFSA-N 1 0 403.486 2.793 20 0 HFADRO CCc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164741129 720758990 /nfs/dbraw/zinc/75/89/90/720758990.db2.gz MIMZQBIWHCKFLQ-HUUCEWRRSA-N 1 0 422.558 2.874 20 0 HFADRO Cc1ccc(C)c(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164741145 720772593 /nfs/dbraw/zinc/77/25/93/720772593.db2.gz MJSXQVCMJXQPGQ-RBUKOAKNSA-N 1 0 402.502 2.892 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)n2)CC1 ZINC001164843999 720775391 /nfs/dbraw/zinc/77/53/91/720775391.db2.gz BGCASWAIJZLIAV-FSSWDIPSSA-N 1 0 423.561 2.572 20 0 HFADRO CCOc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738633 720780152 /nfs/dbraw/zinc/78/01/52/720780152.db2.gz GMPPSIQQIJOTSH-UYAOXDASSA-N 1 0 418.501 2.674 20 0 HFADRO CCc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738037 720781735 /nfs/dbraw/zinc/78/17/35/720781735.db2.gz DOLQXZACYIMAPQ-UXHICEINSA-N 1 0 402.502 2.838 20 0 HFADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164751211 720800981 /nfs/dbraw/zinc/80/09/81/720800981.db2.gz XLOBUQXKEAQENY-HZPDHXFCSA-N 1 0 402.930 2.769 20 0 HFADRO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744191 720808036 /nfs/dbraw/zinc/80/80/36/720808036.db2.gz HWQYJONMCWHPGC-OWCLPIDISA-N 1 0 423.899 2.646 20 0 HFADRO Clc1nc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742359 720809461 /nfs/dbraw/zinc/80/94/61/720809461.db2.gz CYALROXLJJMMGK-BFYDXBDKSA-N 1 0 412.929 2.582 20 0 HFADRO Clc1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164747756 720813163 /nfs/dbraw/zinc/81/31/63/720813163.db2.gz PHHKMSUZXOPRMH-IJEWVQPXSA-N 1 0 408.337 2.754 20 0 HFADRO FC(F)(c1nccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752075 720814677 /nfs/dbraw/zinc/81/46/77/720814677.db2.gz YNZLTLHWRPDLSC-BZUAXINKSA-N 1 0 423.899 2.646 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743852 720816317 /nfs/dbraw/zinc/81/63/17/720816317.db2.gz SVYMPGCXZKKVCI-YQQAZPJKSA-N 1 0 419.986 2.823 20 0 HFADRO Cc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741445 720819279 /nfs/dbraw/zinc/81/92/79/720819279.db2.gz NVPJCHBXBYKRRT-WOIUINJBSA-N 1 0 403.534 2.909 20 0 HFADRO Fc1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164738793 720824479 /nfs/dbraw/zinc/82/44/79/720824479.db2.gz GRLUQMSHCAVTGO-YRISNDGFSA-N 1 0 407.497 2.740 20 0 HFADRO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737672 720829006 /nfs/dbraw/zinc/82/90/06/720829006.db2.gz BRNKGOYZVGMZNA-HYVNUMGLSA-N 1 0 423.899 2.646 20 0 HFADRO Cc1nc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164737433 720829500 /nfs/dbraw/zinc/82/95/00/720829500.db2.gz BCCCVJVGIVHEMB-RCCFBDPRSA-N 1 0 401.946 2.718 20 0 HFADRO COc1ccc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746748 720829627 /nfs/dbraw/zinc/82/96/27/720829627.db2.gz YTZZNGVYZJXHDE-SOLBZPMBSA-N 1 0 402.930 2.715 20 0 HFADRO Cc1[nH]c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164737385 720831003 /nfs/dbraw/zinc/83/10/03/720831003.db2.gz AQDANPSLYDOKDO-IPMKNSEASA-N 1 0 406.538 2.546 20 0 HFADRO COc1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739341 720832664 /nfs/dbraw/zinc/83/26/64/720832664.db2.gz AAVBSKWGVRNVOJ-IXDOHACOSA-N 1 0 402.930 2.715 20 0 HFADRO FC(F)(c1nccnc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743620 720842997 /nfs/dbraw/zinc/84/29/97/720842997.db2.gz JQHFXFZMCLEYEX-ARFHVFGLSA-N 1 0 423.899 2.646 20 0 HFADRO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747294 720850307 /nfs/dbraw/zinc/85/03/07/720850307.db2.gz QCQZTGYIOPADEL-SOLBZPMBSA-N 1 0 401.946 2.663 20 0 HFADRO CCCSc1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741928 720850844 /nfs/dbraw/zinc/85/08/44/720850844.db2.gz FYHQKDDLORPSKP-GUDVDZBRSA-N 1 0 413.595 2.950 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(-c4c[nH]c5ccccc54)n3)CC[C@@H]2C1 ZINC001164857487 720852776 /nfs/dbraw/zinc/85/27/76/720852776.db2.gz QYYAEBQWGJMJOF-VGSWGCGISA-N 1 0 407.518 2.798 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164748801 720853086 /nfs/dbraw/zinc/85/30/86/720853086.db2.gz MDZRHMUADWFLFB-GBESFXJTSA-N 1 0 413.595 2.948 20 0 HFADRO CCc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)nc1C ZINC001164748132 720859681 /nfs/dbraw/zinc/85/96/81/720859681.db2.gz KJMZNHBVGAUBCX-ZHALLVOQSA-N 1 0 415.973 2.972 20 0 HFADRO COc1nccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747988 720869159 /nfs/dbraw/zinc/86/91/59/720869159.db2.gz DBRMCJXILQBGEK-NFBKMPQASA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@@H]2C1 ZINC001164859495 720869884 /nfs/dbraw/zinc/86/98/84/720869884.db2.gz UDRGOAXXCBEGIJ-CABCVRRESA-N 1 0 414.884 2.935 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164864970 720874243 /nfs/dbraw/zinc/87/42/43/720874243.db2.gz XOEDGYDCHAJDFL-RDJZCZTQSA-N 1 0 402.564 2.662 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864967 720874575 /nfs/dbraw/zinc/87/45/75/720874575.db2.gz XOEDGYDCHAJDFL-NVXWUHKLSA-N 1 0 402.564 2.662 20 0 HFADRO CCN(c1ccccc1)c1cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)ncn1 ZINC001164853397 720884112 /nfs/dbraw/zinc/88/41/12/720884112.db2.gz CMOZIVZPXCREJS-TZIWHRDSSA-N 1 0 411.550 2.808 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@H]2C1 ZINC001164858465 720886127 /nfs/dbraw/zinc/88/61/27/720886127.db2.gz KXSBZDAZNIRSQF-GUYCJALGSA-N 1 0 410.440 2.880 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@@H]2C1 ZINC001164865220 720889563 /nfs/dbraw/zinc/88/95/63/720889563.db2.gz YWBHMBGFISHKGC-ZIAGYGMSSA-N 1 0 401.338 2.834 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@@H]2C1 ZINC001164865216 720889673 /nfs/dbraw/zinc/88/96/73/720889673.db2.gz YWBHMBGFISHKGC-KGLIPLIRSA-N 1 0 401.338 2.834 20 0 HFADRO Cc1nc2c3ccccc3oc2c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164751743 720958115 /nfs/dbraw/zinc/95/81/15/720958115.db2.gz SXCRJIBWCZVPLP-UHFFFAOYSA-N 1 0 420.473 2.527 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868739 721043886 /nfs/dbraw/zinc/04/38/86/721043886.db2.gz QENZHPQFCUYFDJ-IAGOWNOFSA-N 1 0 416.909 2.786 20 0 HFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867689 721057754 /nfs/dbraw/zinc/05/77/54/721057754.db2.gz JRMWYWQPXGLQJV-UXHICEINSA-N 1 0 410.518 2.912 20 0 HFADRO COC(=O)c1ccc2c(ccnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866370 721076974 /nfs/dbraw/zinc/07/69/74/721076974.db2.gz SVVKXAPECARKES-LEWJYISDSA-N 1 0 418.497 2.896 20 0 HFADRO CCOc1ccc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865436 721096034 /nfs/dbraw/zinc/09/60/34/721096034.db2.gz LHUXLQRJCJMPRD-QUCCMNQESA-N 1 0 405.502 2.903 20 0 HFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771392 721106580 /nfs/dbraw/zinc/10/65/80/721106580.db2.gz SNEAYXHVNJRNER-IRXDYDNUSA-N 1 0 417.941 2.912 20 0 HFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164769946 721106753 /nfs/dbraw/zinc/10/67/53/721106753.db2.gz QMJPJSQVVIODQU-IRXDYDNUSA-N 1 0 417.941 2.912 20 0 HFADRO COC(=O)c1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c1 ZINC001164768168 721115791 /nfs/dbraw/zinc/11/57/91/721115791.db2.gz NNCGWTXZYCUQNC-VQTJNVASSA-N 1 0 405.502 2.713 20 0 HFADRO COc1ccc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164772728 721125946 /nfs/dbraw/zinc/12/59/46/721125946.db2.gz VRUOFYDNASSNPM-HUUCEWRRSA-N 1 0 411.884 2.980 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1OC ZINC001164873662 721134136 /nfs/dbraw/zinc/13/41/36/721134136.db2.gz JWHKUJQEBRRSNQ-JKSUJKDBSA-N 1 0 401.898 2.656 20 0 HFADRO COc1cccc(-c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164773828 721167769 /nfs/dbraw/zinc/16/77/69/721167769.db2.gz XIVVKWLFHOQMST-VQTJNVASSA-N 1 0 404.518 2.844 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164770914 721209821 /nfs/dbraw/zinc/20/98/21/721209821.db2.gz PFMXOMYEDDAFDJ-MOPGFXCFSA-N 1 0 405.502 2.713 20 0 HFADRO CC(C)c1noc(-c2ccnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2)n1 ZINC001164773822 721223838 /nfs/dbraw/zinc/22/38/38/721223838.db2.gz XFGKEVMIBUPZMX-MOPGFXCFSA-N 1 0 407.522 2.947 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@@H]3C2)cn1 ZINC001164761515 721244852 /nfs/dbraw/zinc/24/48/52/721244852.db2.gz JHOYFEMBFDCYFP-HOTGVXAUSA-N 1 0 405.481 2.942 20 0 HFADRO c1ncn2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@H](COc1cccnc1)C2 ZINC001164769976 721275157 /nfs/dbraw/zinc/27/51/57/721275157.db2.gz QLHHZGPCUZCBHV-FQEVSTJZSA-N 1 0 404.518 2.984 20 0 HFADRO C[NH+](C)Cc1ccnc(N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)c1 ZINC001164874778 721299201 /nfs/dbraw/zinc/29/92/01/721299201.db2.gz CJACKXPJIAGWSO-PKOBYXMFSA-N 1 0 400.548 2.572 20 0 HFADRO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2C1 ZINC001164885921 721351163 /nfs/dbraw/zinc/35/11/63/721351163.db2.gz QUOULNZBBBQSTM-YADHBBJMSA-N 1 0 406.530 2.655 20 0 HFADRO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2C1 ZINC001164885918 721351372 /nfs/dbraw/zinc/35/13/72/721351372.db2.gz QUOULNZBBBQSTM-FGZHOGPDSA-N 1 0 406.530 2.655 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4onc(C)c43)C2)C1 ZINC001164786152 721370541 /nfs/dbraw/zinc/37/05/41/721370541.db2.gz WOZARGJQUZRVPK-NRFANRHFSA-N 1 0 412.494 2.650 20 0 HFADRO Cc1csc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164886261 721380949 /nfs/dbraw/zinc/38/09/49/721380949.db2.gz DVOIBPGTONCCBM-DYESRHJHSA-N 1 0 401.580 2.765 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(C5CC5)n4)C3)O2)CC1 ZINC001164888603 721388652 /nfs/dbraw/zinc/38/86/52/721388652.db2.gz KIYCZTOLXZUJHF-UTKZUKDTSA-N 1 0 405.974 2.773 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5[nH]ccc5cc4Cl)C3)O2)CC1 ZINC001164885805 721420581 /nfs/dbraw/zinc/42/05/81/721420581.db2.gz HMVSCWMSCDJIGV-UTKZUKDTSA-N 1 0 403.958 2.933 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)ncn4)C3)O2)CC1 ZINC001164896423 721432524 /nfs/dbraw/zinc/43/25/24/721432524.db2.gz RIHAZNBWEHNYNW-URXFXBBRSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898414 721438638 /nfs/dbraw/zinc/43/86/38/721438638.db2.gz VYOAQPOURFOFJD-WMZHIEFXSA-N 1 0 401.599 2.848 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccsc5)nn4)C3)O2)CC1 ZINC001164898515 721445173 /nfs/dbraw/zinc/44/51/73/721445173.db2.gz WCYNYURJCZHSHQ-UGKGYDQZSA-N 1 0 413.591 2.971 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nncc1OC)CC2 ZINC001164788685 721459361 /nfs/dbraw/zinc/45/93/61/721459361.db2.gz VNLGRNUHPJKLET-KRWDZBQOSA-N 1 0 424.973 2.873 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(SC)cn1)CC2 ZINC001164790068 721461948 /nfs/dbraw/zinc/46/19/48/721461948.db2.gz ZKSBEEKDZOGZOR-GOSISDBHSA-N 1 0 406.596 2.932 20 0 HFADRO Cc1nc(-n2cncn2)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795506 721502933 /nfs/dbraw/zinc/50/29/33/721502933.db2.gz KMAKJAODTNSTFG-UHFFFAOYSA-N 1 0 404.522 2.642 20 0 HFADRO COC(=O)c1ncnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1OC ZINC001164795280 721504411 /nfs/dbraw/zinc/50/44/11/721504411.db2.gz JHOVEXZPGAZLSE-UHFFFAOYSA-N 1 0 411.506 2.548 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4ccnc(Cl)c4)ccn2)CC3)CC1 ZINC001164794856 721510511 /nfs/dbraw/zinc/51/05/11/721510511.db2.gz XFZAYYUYUCOPND-UHFFFAOYSA-N 1 0 423.952 2.761 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4ccsc42)CC3)CC1 ZINC001164794269 721511871 /nfs/dbraw/zinc/51/18/71/721511871.db2.gz MKENKGVYIWHPCT-UHFFFAOYSA-N 1 0 402.955 2.914 20 0 HFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896358 721517168 /nfs/dbraw/zinc/51/71/68/721517168.db2.gz BDWIYPYTXSBEOX-HKUYNNGSSA-N 1 0 422.460 2.897 20 0 HFADRO Cc1c(Cl)nc(CC(C)C)nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164795182 721521553 /nfs/dbraw/zinc/52/15/53/721521553.db2.gz LGDYFRBMFPIMIT-UHFFFAOYSA-N 1 0 417.989 2.601 20 0 HFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899708 721522257 /nfs/dbraw/zinc/52/22/57/721522257.db2.gz LULYQBWSCBERQA-ZBFHGGJFSA-N 1 0 420.872 2.788 20 0 HFADRO COCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(SC)n1 ZINC001164909230 721532043 /nfs/dbraw/zinc/53/20/43/721532043.db2.gz QZJSVSQBJQJFHV-AEFFLSMTSA-N 1 0 404.511 2.826 20 0 HFADRO COC(=O)c1cc(F)c(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909730 721534097 /nfs/dbraw/zinc/53/40/97/721534097.db2.gz RRZAGRBUQHEWNI-DOTOQJQBSA-N 1 0 403.429 2.797 20 0 HFADRO O=c1ccccn1Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164911293 721556212 /nfs/dbraw/zinc/55/62/12/721556212.db2.gz YSSCFUNVBRUZTM-IFMALSPDSA-N 1 0 420.488 2.773 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(N)=O)cc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164807640 721582157 /nfs/dbraw/zinc/58/21/57/721582157.db2.gz PBHQSNZHGYZQGL-VSKRKVRLSA-N 1 0 417.513 2.597 20 0 HFADRO C[C@@H]1CCCN(c2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ncn2)C1 ZINC001164800181 721585103 /nfs/dbraw/zinc/58/51/03/721585103.db2.gz CILIGHKGDJQGPA-ZGDJDIHISA-N 1 0 422.577 2.976 20 0 HFADRO Cc1cncc(COC[C@]23CCC[C@@H]2CN(c2ccc(N4CC[NH+](C)CC4)nn2)C3)c1 ZINC001164800345 721600493 /nfs/dbraw/zinc/60/04/93/721600493.db2.gz LFPVSAJZAYHDBM-ZJSXRUAMSA-N 1 0 422.577 2.755 20 0 HFADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164905689 721709168 /nfs/dbraw/zinc/70/91/68/721709168.db2.gz IJXWJGHLAAVYNG-XOBRGWDASA-N 1 0 414.460 2.665 20 0 HFADRO CCOC(=O)c1nccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912605 721728555 /nfs/dbraw/zinc/72/85/55/721728555.db2.gz OMXYQINAKQNRLH-HXUWFJFHSA-N 1 0 417.460 2.786 20 0 HFADRO COCc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(-c2ccccc2)n1 ZINC001165007460 721731360 /nfs/dbraw/zinc/73/13/60/721731360.db2.gz DBWCZAOOHSFMIT-UHFFFAOYSA-N 1 0 423.561 2.813 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cncc(OCC3CCCC3)n2)CC1 ZINC001165012491 721749964 /nfs/dbraw/zinc/74/99/64/721749964.db2.gz JNLHKFQMAGYLJR-UHFFFAOYSA-N 1 0 401.555 2.569 20 0 HFADRO C[N@H+](Cc1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCCCn2cccn2)nc1)C1CC1 ZINC001165022494 721782133 /nfs/dbraw/zinc/78/21/33/721782133.db2.gz RQCJSAUWLKHLTE-GIWBLDEGSA-N 1 0 411.550 2.715 20 0 HFADRO CON(C)C(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025315 721819381 /nfs/dbraw/zinc/81/93/81/721819381.db2.gz MHZIMMXQYSBJRN-DZFGPLHGSA-N 1 0 409.534 2.847 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3NC(=O)CS4)C[C@@H]21 ZINC001165023127 721831270 /nfs/dbraw/zinc/83/12/70/721831270.db2.gz HUEYGHXEVXYRLV-BHYGNILZSA-N 1 0 410.547 2.653 20 0 HFADRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164925088 721837273 /nfs/dbraw/zinc/83/72/73/721837273.db2.gz NQEZVDXAKYXICR-NZQKXSOJSA-N 1 0 408.550 2.732 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-n3ccnc3)nn2)CC1 ZINC001165021186 721841887 /nfs/dbraw/zinc/84/18/87/721841887.db2.gz GURUVKUNXRHYKV-UHFFFAOYSA-N 1 0 408.506 2.780 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923602 721853760 /nfs/dbraw/zinc/85/37/60/721853760.db2.gz AXLJZKGWQBLEHG-ZWKOTPCHSA-N 1 0 405.974 2.576 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925711 721855694 /nfs/dbraw/zinc/85/56/94/721855694.db2.gz FQKWBKYAHLJGHN-ZJUUUORDSA-N 1 0 416.744 2.595 20 0 HFADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[NH+](C4CCCC4)CC3)n2)cc1 ZINC001165032312 721858559 /nfs/dbraw/zinc/85/85/59/721858559.db2.gz QGXFNRDQXQBLGA-UHFFFAOYSA-N 1 0 402.520 2.737 20 0 HFADRO COc1cc2nc(Cl)c(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nc2cc1OC ZINC001164922435 721865222 /nfs/dbraw/zinc/86/52/22/721865222.db2.gz GVIPGAYCRKBMRZ-JKSUJKDBSA-N 1 0 405.930 2.515 20 0 HFADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c(Cl)n1 ZINC001164921889 721876035 /nfs/dbraw/zinc/87/60/35/721876035.db2.gz DLUVUDIHXCMZGX-HZPDHXFCSA-N 1 0 416.900 2.671 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1c(Cl)nnc(Cl)c1N1CCCCC1 ZINC001164932786 721890793 /nfs/dbraw/zinc/89/07/93/721890793.db2.gz IHMRMCUYCIGXBA-HUUCEWRRSA-N 1 0 413.397 2.988 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@@H]([NH+](C)C)C3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165035232 721894503 /nfs/dbraw/zinc/89/45/03/721894503.db2.gz LWJGVKHOEHZSQQ-BZUAXINKSA-N 1 0 422.524 2.756 20 0 HFADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCC[C@@H]([NH+](C)C)C2)C1=O ZINC001165036537 721894901 /nfs/dbraw/zinc/89/49/01/721894901.db2.gz SMLAWSBJIROADB-FOIQADDNSA-N 1 0 424.952 2.547 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cncc(-n5ccnc5)n4)CC3)C2)cc1 ZINC001164938721 721928822 /nfs/dbraw/zinc/92/88/22/721928822.db2.gz FPDSETKMTHOXPB-UHFFFAOYSA-N 1 0 404.518 2.842 20 0 HFADRO CN(CC1CC[NH+](C)CC1)c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001165042121 721934972 /nfs/dbraw/zinc/93/49/72/721934972.db2.gz GGKPOIXJVUKDQS-UHFFFAOYSA-N 1 0 421.589 2.818 20 0 HFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[NH+](CCOc5ccccc5)CC4)c3)cc21 ZINC001165045624 721955981 /nfs/dbraw/zinc/95/59/81/721955981.db2.gz YLJAEEAVYFDWKJ-UHFFFAOYSA-N 1 0 417.513 2.564 20 0 HFADRO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164959537 722053134 /nfs/dbraw/zinc/05/31/34/722053134.db2.gz MLYKYSSVDHQQNV-UHFFFAOYSA-N 1 0 410.518 2.772 20 0 HFADRO c1c[nH]c(-c2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)n1 ZINC001164960706 722058110 /nfs/dbraw/zinc/05/81/10/722058110.db2.gz IMWYNDBODMTSNA-UHFFFAOYSA-N 1 0 404.518 2.986 20 0 HFADRO O=C(c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1)N1CCCCC1 ZINC001164966221 722068874 /nfs/dbraw/zinc/06/88/74/722068874.db2.gz ZDCOGTHOUHSBRD-HDICACEKSA-N 1 0 404.942 2.661 20 0 HFADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967108 722070900 /nfs/dbraw/zinc/07/09/00/722070900.db2.gz ILGIKRBDURHTOZ-IYBDPMFKSA-N 1 0 414.531 2.681 20 0 HFADRO CS(=O)(=O)N1C[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2c2ccccc21 ZINC001164972866 722090643 /nfs/dbraw/zinc/09/06/43/722090643.db2.gz ITYBMOWXECFMPX-QUCCMNQESA-N 1 0 412.559 2.677 20 0 HFADRO COC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983996 722103174 /nfs/dbraw/zinc/10/31/74/722103174.db2.gz RLEWALPZTFCVOP-VQIMIIECSA-N 1 0 416.909 2.644 20 0 HFADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2cnccc12 ZINC001164984363 722104217 /nfs/dbraw/zinc/10/42/17/722104217.db2.gz SUPKHEPUYFXPMQ-APWZRJJASA-N 1 0 410.909 2.801 20 0 HFADRO CC1(C)OC(=O)c2c1ccnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981156 722111681 /nfs/dbraw/zinc/11/16/81/722111681.db2.gz TXIJHIOKGMIJKR-PKOBYXMFSA-N 1 0 408.502 2.609 20 0 HFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983118 722119181 /nfs/dbraw/zinc/11/91/81/722119181.db2.gz YIDFMNLLMZFBOS-LEWJYISDSA-N 1 0 423.561 2.732 20 0 HFADRO CCOc1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981778 722123495 /nfs/dbraw/zinc/12/34/95/722123495.db2.gz VEHGVNZPKHSSCY-IAGOWNOFSA-N 1 0 403.914 2.651 20 0 HFADRO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974886 722123676 /nfs/dbraw/zinc/12/36/76/722123676.db2.gz ITWBOZIIDIIWSB-APWZRJJASA-N 1 0 416.909 2.644 20 0 HFADRO CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164971462 722125514 /nfs/dbraw/zinc/12/55/14/722125514.db2.gz COLHISKXBJMJKG-NHCUHLMSSA-N 1 0 424.545 2.997 20 0 HFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164980280 722132069 /nfs/dbraw/zinc/13/20/69/722132069.db2.gz MKSSRESKEJDJQH-LEWJYISDSA-N 1 0 423.561 2.732 20 0 HFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164980281 722132537 /nfs/dbraw/zinc/13/25/37/722132537.db2.gz MKSSRESKEJDJQH-NHCUHLMSSA-N 1 0 423.561 2.732 20 0 HFADRO COC(OC)c1cc(C)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980938 722134230 /nfs/dbraw/zinc/13/42/30/722134230.db2.gz NXSMBARUSYGQNQ-CTNGQTDRSA-N 1 0 412.534 2.804 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164977088 722149485 /nfs/dbraw/zinc/14/94/85/722149485.db2.gz IRLHXPLUGVWHGZ-FGZHOGPDSA-N 1 0 422.577 2.979 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977151 722153387 /nfs/dbraw/zinc/15/33/87/722153387.db2.gz XRTGQIHJQWGCOW-TZIWHRDSSA-N 1 0 410.518 2.769 20 0 HFADRO [O-][n+]1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1Cl ZINC001164976213 722156881 /nfs/dbraw/zinc/15/68/81/722156881.db2.gz UZTNZMUTTUAHGS-AEFFLSMTSA-N 1 0 424.879 2.641 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3cc(Cl)cnc3n1)CCC2 ZINC001165000974 722252807 /nfs/dbraw/zinc/25/28/07/722252807.db2.gz XKZAJIMLCSLGHC-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(OCc3ccccc3)cn1)CCC2 ZINC001165002953 722255162 /nfs/dbraw/zinc/25/51/62/722255162.db2.gz YGCJNLQKFOUYCU-UHFFFAOYSA-N 1 0 422.533 2.741 20 0 HFADRO COC(=O)c1cccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ccc21 ZINC001165003469 722257412 /nfs/dbraw/zinc/25/74/12/722257412.db2.gz DRGIVVHEOWHIEO-UHFFFAOYSA-N 1 0 423.517 2.706 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CC(=O)N(C4CC4)C3)cc2Cl)CC1 ZINC000790498308 1078044072 /nfs/dbraw/zinc/04/40/72/1078044072.db2.gz ROPQTNWLRKNQDM-UHFFFAOYSA-N 1 0 405.930 2.668 20 0 HFADRO O=C(NCCCCCCC[NH+]1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000793001173 1078045041 /nfs/dbraw/zinc/04/50/41/1078045041.db2.gz GUQKSTBSOJJTRR-UHFFFAOYSA-N 1 0 411.344 2.945 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]C[C@@H](O)COc2cccc(F)c2)CC1 ZINC000790467801 1078045305 /nfs/dbraw/zinc/04/53/05/1078045305.db2.gz JIORDOYMOLZHOT-HXUWFJFHSA-N 1 0 402.466 2.956 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1Br ZINC000793012526 1078048359 /nfs/dbraw/zinc/04/83/59/1078048359.db2.gz YLAWLCMFEJNEBT-UKRRQHHQSA-N 1 0 421.339 2.566 20 0 HFADRO COCCOc1ccc(-n2nc(C)c(-c3nc(-c4ccn5c[nH+]cc5c4)no3)n2)cc1 ZINC000790516038 1078048965 /nfs/dbraw/zinc/04/89/65/1078048965.db2.gz XMBBQSWYMCJHEM-UHFFFAOYSA-N 1 0 417.429 2.966 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(Cl)n3)cc2F)CC1 ZINC000793047137 1078055787 /nfs/dbraw/zinc/05/57/87/1078055787.db2.gz RCWVYKJTDXRXBR-UHFFFAOYSA-N 1 0 419.888 2.982 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000790574042 1078058393 /nfs/dbraw/zinc/05/83/93/1078058393.db2.gz ANJMCJNALHEZMK-MRXNPFEDSA-N 1 0 405.543 2.553 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793082069 1078063753 /nfs/dbraw/zinc/06/37/53/1078063753.db2.gz ISFUGYYQIROKQW-HKUYNNGSSA-N 1 0 409.571 2.593 20 0 HFADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000793091338 1078066930 /nfs/dbraw/zinc/06/69/30/1078066930.db2.gz QBWNLOAXHWJKLZ-QAPCUYQASA-N 1 0 414.333 2.608 20 0 HFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793092597 1078067082 /nfs/dbraw/zinc/06/70/82/1078067082.db2.gz FXBGMUWFKNHISX-QAPCUYQASA-N 1 0 414.333 2.738 20 0 HFADRO [NH3+]C[C@]1(F)CCCN(C(=O)c2cnc(Br)cc2Br)CC1 ZINC001157752853 1078071268 /nfs/dbraw/zinc/07/12/68/1078071268.db2.gz ISKYHNQITGMTHT-ZDUSSCGKSA-N 1 0 409.097 2.900 20 0 HFADRO C[C@@H]1OCC[C@]12CN(C(=S)NC1CC[NH+](Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC000790608669 1078074744 /nfs/dbraw/zinc/07/47/44/1078074744.db2.gz NPIUGJFCZPGARM-FGSXEWAUSA-N 1 0 403.592 2.794 20 0 HFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)[C@H]1C ZINC000790609966 1078075001 /nfs/dbraw/zinc/07/50/01/1078075001.db2.gz QYXBOOSSAZEGFU-VEYYMALKSA-N 1 0 413.518 2.979 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cccc4c3OCCO4)cc2)C1=O ZINC000790611578 1078075563 /nfs/dbraw/zinc/07/55/63/1078075563.db2.gz SCHATNZXZSNBPM-HSZRJFAPSA-N 1 0 407.470 2.973 20 0 HFADRO [NH3+]C[C@@]1(F)CCCN(C(=O)c2cnc(Cl)c(I)c2)CC1 ZINC001157755875 1078085345 /nfs/dbraw/zinc/08/53/45/1078085345.db2.gz XLXYQOSVLQLOQI-CYBMUJFWSA-N 1 0 411.646 2.633 20 0 HFADRO CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)NCC[N@H+]3CC=CCC3)cc2C1 ZINC000793166572 1078086550 /nfs/dbraw/zinc/08/65/50/1078086550.db2.gz CQIXORUKTVSXQY-UHFFFAOYSA-N 1 0 400.523 2.998 20 0 HFADRO O=C(CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)OCc1ccccc1 ZINC000793133177 1078087107 /nfs/dbraw/zinc/08/71/07/1078087107.db2.gz KETFXYSGZMZVFW-UHFFFAOYSA-N 1 0 413.440 2.834 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)c2ccc(-c3nc[nH]n3)cc2)cc1 ZINC000793157174 1078092626 /nfs/dbraw/zinc/09/26/26/1078092626.db2.gz OSFDUNOKVWICHH-UHFFFAOYSA-N 1 0 407.474 2.763 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)CC2)CC1 ZINC000790707646 1078102731 /nfs/dbraw/zinc/10/27/31/1078102731.db2.gz BLNMZUZONUJIOE-AEFFLSMTSA-N 1 0 403.398 2.770 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCCCNC(=O)OC(C)(C)C)cc2)CC1 ZINC000790710589 1078103599 /nfs/dbraw/zinc/10/35/99/1078103599.db2.gz VXGYJPVGUQPAHO-UHFFFAOYSA-N 1 0 420.554 2.874 20 0 HFADRO COCC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790710749 1078103747 /nfs/dbraw/zinc/10/37/47/1078103747.db2.gz XVCKEVUSHGAJLV-MSOLQXFVSA-N 1 0 424.586 2.576 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCC1([NH+](C)C)CCCC1)C(=O)OC(C)(C)C ZINC000790761944 1078113419 /nfs/dbraw/zinc/11/34/19/1078113419.db2.gz NGTFYAHYUIGKCH-HOTGVXAUSA-N 1 0 400.539 2.850 20 0 HFADRO COC(=O)c1ccccc1CC1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000793266220 1078113976 /nfs/dbraw/zinc/11/39/76/1078113976.db2.gz NBSUPXZSMSKJOG-UHFFFAOYSA-N 1 0 403.592 2.944 20 0 HFADRO COCCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793293472 1078120446 /nfs/dbraw/zinc/12/04/46/1078120446.db2.gz JLXFGLWIIKQFRY-QFIPXVFZSA-N 1 0 419.529 2.923 20 0 HFADRO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@H]3CN(Cc4ccccc4)CCO3)C2=O)cc1 ZINC000790748241 1078124357 /nfs/dbraw/zinc/12/43/57/1078124357.db2.gz MEAFEYXKRJDLKH-FGCOXFRFSA-N 1 0 407.558 2.975 20 0 HFADRO COCC1(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790814306 1078127748 /nfs/dbraw/zinc/12/77/48/1078127748.db2.gz PYARHHUHIHYHSX-QGZVFWFLSA-N 1 0 424.586 2.600 20 0 HFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000790779267 1078131533 /nfs/dbraw/zinc/13/15/33/1078131533.db2.gz LDCXWMASXASKTM-SFHVURJKSA-N 1 0 415.987 2.831 20 0 HFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790782560 1078132969 /nfs/dbraw/zinc/13/29/69/1078132969.db2.gz ZSOWRUMOQIBODS-BZSNNMDCSA-N 1 0 414.566 2.953 20 0 HFADRO Brc1nc(Br)n(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000772831220 1078137638 /nfs/dbraw/zinc/13/76/38/1078137638.db2.gz ZLQUCENMIAALLC-CMPLNLGQSA-N 1 0 419.165 2.709 20 0 HFADRO CN(C(=O)C(F)(F)C1CCOCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000790819324 1078154479 /nfs/dbraw/zinc/15/44/79/1078154479.db2.gz XCYRKVGPOUJMMW-MOPGFXCFSA-N 1 0 401.542 2.844 20 0 HFADRO CN(C(=O)C(F)(F)C1CCOCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000790819327 1078154505 /nfs/dbraw/zinc/15/45/05/1078154505.db2.gz XCYRKVGPOUJMMW-RBUKOAKNSA-N 1 0 401.542 2.844 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000793383806 1078161507 /nfs/dbraw/zinc/16/15/07/1078161507.db2.gz JXIBMAKYEHRULL-CWKRKGSWSA-N 1 0 409.530 2.733 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000793383808 1078161716 /nfs/dbraw/zinc/16/17/16/1078161716.db2.gz JXIBMAKYEHRULL-PNJWGLBASA-N 1 0 409.530 2.733 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cnc(Br)c(Cl)c2)ccn1 ZINC000790888028 1078171939 /nfs/dbraw/zinc/17/19/39/1078171939.db2.gz FZVBASNGOMWUFP-UHFFFAOYSA-N 1 0 413.703 2.763 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793461497 1078179696 /nfs/dbraw/zinc/17/96/96/1078179696.db2.gz MSANYENRZRTWBS-SLFFLAALSA-N 1 0 422.614 2.651 20 0 HFADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793457435 1078192673 /nfs/dbraw/zinc/19/26/73/1078192673.db2.gz BCZKTVUWYHDONJ-DGQTTZFYSA-N 1 0 424.545 2.957 20 0 HFADRO C[NH+](C)CCC1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793494988 1078201754 /nfs/dbraw/zinc/20/17/54/1078201754.db2.gz YMBQZKXGUAABDN-OYRHEFFESA-N 1 0 424.545 2.769 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793533597 1078205872 /nfs/dbraw/zinc/20/58/72/1078205872.db2.gz JODCBWPLLJCZCT-BZSNNMDCSA-N 1 0 409.571 2.639 20 0 HFADRO COCC1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793551454 1078208837 /nfs/dbraw/zinc/20/88/37/1078208837.db2.gz YHXGVRXOEBBJHM-SFHVURJKSA-N 1 0 409.571 2.594 20 0 HFADRO COc1ccc(Cl)cc1CNC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000793563054 1078210940 /nfs/dbraw/zinc/21/09/40/1078210940.db2.gz YJKCOASXENNUBD-UHFFFAOYSA-N 1 0 417.937 2.598 20 0 HFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793587142 1078215662 /nfs/dbraw/zinc/21/56/62/1078215662.db2.gz WOQQTZNPLPKKQA-GOSISDBHSA-N 1 0 411.587 2.840 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000793596583 1078219265 /nfs/dbraw/zinc/21/92/65/1078219265.db2.gz RBJIBWMCCPGUOO-SFHVURJKSA-N 1 0 409.571 2.735 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)C1 ZINC000793604701 1078222591 /nfs/dbraw/zinc/22/25/91/1078222591.db2.gz MBWNIIJQKLTLPD-FQEVSTJZSA-N 1 0 408.568 2.813 20 0 HFADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793629674 1078233236 /nfs/dbraw/zinc/23/32/36/1078233236.db2.gz JOXXPOARPDUSQU-XMSQKQJNSA-N 1 0 411.546 2.629 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000793630322 1078233250 /nfs/dbraw/zinc/23/32/50/1078233250.db2.gz KPTSCQHJSCIJTB-RTBURBONSA-N 1 0 415.578 2.859 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000793648280 1078241047 /nfs/dbraw/zinc/24/10/47/1078241047.db2.gz FYPUZFOJBCTAIZ-SPEDKVCISA-N 1 0 409.530 2.525 20 0 HFADRO COC(=O)[C@@]1(NC(=O)c2ccc3nc(C)n(C)c3c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000793634906 1078235744 /nfs/dbraw/zinc/23/57/44/1078235744.db2.gz LOFWCLIPLQMNTB-XMMPIXPASA-N 1 0 420.513 2.819 20 0 HFADRO COCC1(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793642919 1078239345 /nfs/dbraw/zinc/23/93/45/1078239345.db2.gz KQZNGJGBMOFDLA-GOSISDBHSA-N 1 0 411.587 2.744 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1OC(F)(F)F)[NH+]1CCCCC1 ZINC000793715387 1078262029 /nfs/dbraw/zinc/26/20/29/1078262029.db2.gz UIRTXKDTJKLKEO-AWEZNQCLSA-N 1 0 401.429 2.534 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000793719396 1078264336 /nfs/dbraw/zinc/26/43/36/1078264336.db2.gz DQYKGOOKYIHVBI-BBRMVZONSA-N 1 0 403.420 2.926 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000747145907 1078266799 /nfs/dbraw/zinc/26/67/99/1078266799.db2.gz LZUFHPDPTIHNRJ-KYJSFNMBSA-N 1 0 407.511 2.628 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000793693004 1078269877 /nfs/dbraw/zinc/26/98/77/1078269877.db2.gz IRSGPMDZEPVOKX-VQTJNVASSA-N 1 0 401.551 2.685 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793692777 1078270009 /nfs/dbraw/zinc/27/00/09/1078270009.db2.gz DTKSTBUAOKSVMI-SFHLNBCPSA-N 1 0 409.530 2.597 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000793694513 1078271546 /nfs/dbraw/zinc/27/15/46/1078271546.db2.gz MDZDQAJCXMQZKJ-SIKLNZKXSA-N 1 0 423.557 2.987 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000793701660 1078274404 /nfs/dbraw/zinc/27/44/04/1078274404.db2.gz OCWNPHRIYOZXCU-LJQANCHMSA-N 1 0 424.545 2.730 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)[NH+]1CCCCC1 ZINC000793709181 1078277464 /nfs/dbraw/zinc/27/74/64/1078277464.db2.gz KETGFRHZHRBCDO-GOSISDBHSA-N 1 0 413.562 2.883 20 0 HFADRO Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793708965 1078277829 /nfs/dbraw/zinc/27/78/29/1078277829.db2.gz NCWONIOYZUFKJT-HNNXBMFYSA-N 1 0 410.356 2.673 20 0 HFADRO Cc1ccc(CCNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000793759809 1078280220 /nfs/dbraw/zinc/28/02/20/1078280220.db2.gz DIVJYGYOAJSHBP-VWLOTQADSA-N 1 0 407.558 2.991 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000793739323 1078286216 /nfs/dbraw/zinc/28/62/16/1078286216.db2.gz YMVXADNEZHAKHM-VQTJNVASSA-N 1 0 419.541 2.619 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000793740180 1078286500 /nfs/dbraw/zinc/28/65/00/1078286500.db2.gz FZWSDCJVOOSUFN-DLBZAZTESA-N 1 0 407.580 2.542 20 0 HFADRO CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793742078 1078287371 /nfs/dbraw/zinc/28/73/71/1078287371.db2.gz NOUWLSUTJIUZJR-CTNGQTDRSA-N 1 0 415.578 2.992 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(Cn3nc(N4CCCCC4)n(C[C@H]4CCCO4)c3=S)C2)C1 ZINC000793747404 1078289320 /nfs/dbraw/zinc/28/93/20/1078289320.db2.gz QXIOVMWBTDZOSG-NQIIRXRSSA-N 1 0 420.627 2.568 20 0 HFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793750320 1078290531 /nfs/dbraw/zinc/29/05/31/1078290531.db2.gz HCOTXNRFKSASFW-CZAAIQMYSA-N 1 0 424.545 2.767 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000793799997 1078302497 /nfs/dbraw/zinc/30/24/97/1078302497.db2.gz AQBHYYHSVXFWSD-RBUKOAKNSA-N 1 0 417.550 2.515 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)C2)C1 ZINC000793771043 1078307097 /nfs/dbraw/zinc/30/70/97/1078307097.db2.gz ZVCWELJOFMXTGY-RPBOFIJWSA-N 1 0 418.541 2.662 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3COCCN3C3CCCC3)cc2)CC1 ZINC000793771836 1078307483 /nfs/dbraw/zinc/30/74/83/1078307483.db2.gz IUUCYTCKEKUIKK-QFIPXVFZSA-N 1 0 400.567 2.799 20 0 HFADRO CCCc1ccc(N2C[C@H](C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)CC2=O)cc1 ZINC000747147395 1078308430 /nfs/dbraw/zinc/30/84/30/1078308430.db2.gz ZQMIPTGUIQIHBK-FVTFTPSCSA-N 1 0 413.562 2.702 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000793776570 1078308938 /nfs/dbraw/zinc/30/89/38/1078308938.db2.gz CIEIZGXTLLEXMF-HBMCJLEFSA-N 1 0 415.578 2.992 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000793778107 1078309204 /nfs/dbraw/zinc/30/92/04/1078309204.db2.gz JAKHHIPDNAGUSU-IBGZPJMESA-N 1 0 403.567 2.753 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)sc21)c1ccco1 ZINC000793840870 1078311839 /nfs/dbraw/zinc/31/18/39/1078311839.db2.gz BFLVTFKJEUDGOP-HOTGVXAUSA-N 1 0 404.536 2.737 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccccc2SCC(=O)N2CCCC2)C1 ZINC000793840915 1078311912 /nfs/dbraw/zinc/31/19/12/1078311912.db2.gz JWBLRAAFEATJBL-SFHVURJKSA-N 1 0 420.575 2.915 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000793845345 1078312740 /nfs/dbraw/zinc/31/27/40/1078312740.db2.gz ZGBROVXHMKNLQV-GOSISDBHSA-N 1 0 414.937 2.688 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793845303 1078312954 /nfs/dbraw/zinc/31/29/54/1078312954.db2.gz YSKXIOOVBKUGKI-NRFANRHFSA-N 1 0 422.573 2.787 20 0 HFADRO CS[C@H]1CN(C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000793813434 1078315228 /nfs/dbraw/zinc/31/52/28/1078315228.db2.gz JFUKOXSEYBQCJZ-MOPGFXCFSA-N 1 0 405.564 2.683 20 0 HFADRO CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000793813247 1078315305 /nfs/dbraw/zinc/31/53/05/1078315305.db2.gz HPHNZDOZJQOJAM-CYBMUJFWSA-N 1 0 401.429 2.611 20 0 HFADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)([NH+](C)C)C1 ZINC000793812666 1078315404 /nfs/dbraw/zinc/31/54/04/1078315404.db2.gz MDROIYGSEGNOFT-UTSGNWPNSA-N 1 0 415.578 2.897 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000793815794 1078316161 /nfs/dbraw/zinc/31/61/61/1078316161.db2.gz UORJMVCHCRGCNS-OAQYLSRUSA-N 1 0 401.551 2.509 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793832377 1078320615 /nfs/dbraw/zinc/32/06/15/1078320615.db2.gz ZHUWLRWVKIYDIO-SLFFLAALSA-N 1 0 410.518 2.567 20 0 HFADRO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000772838702 1078329172 /nfs/dbraw/zinc/32/91/72/1078329172.db2.gz UVSOYYICQDQJAX-GIVPXCGWSA-N 1 0 402.922 2.763 20 0 HFADRO CC[N@@H+]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000793872164 1078329809 /nfs/dbraw/zinc/32/98/09/1078329809.db2.gz RNHYDEOYHMYBBW-UHFFFAOYSA-N 1 0 414.594 2.623 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)s1 ZINC000793865585 1078327349 /nfs/dbraw/zinc/32/73/49/1078327349.db2.gz NWMVGGQSBZODTR-MRXNPFEDSA-N 1 0 415.559 2.507 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)CCC2 ZINC000793910386 1078335459 /nfs/dbraw/zinc/33/54/59/1078335459.db2.gz JRGJJQAPHXAYKP-WMZOPIPTSA-N 1 0 403.571 2.584 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2C[C@@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001170439874 1078340606 /nfs/dbraw/zinc/34/06/06/1078340606.db2.gz BKXLQRHSFPIMQY-WGQQHEPDSA-N 1 0 412.486 2.735 20 0 HFADRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000793899626 1078343565 /nfs/dbraw/zinc/34/35/65/1078343565.db2.gz BGYCTIQLMWZGDP-LQWHRVPQSA-N 1 0 421.557 2.580 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000793951930 1078345941 /nfs/dbraw/zinc/34/59/41/1078345941.db2.gz RIWUCSJHUXHKFH-CMKODMSKSA-N 1 0 407.599 2.572 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000793945082 1078354495 /nfs/dbraw/zinc/35/44/95/1078354495.db2.gz BVNKTITWSBZFDQ-NLWGTHIKSA-N 1 0 407.599 2.667 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H]2COC[C@H]21 ZINC001170441404 1078360529 /nfs/dbraw/zinc/36/05/29/1078360529.db2.gz HJKQVAIWUQYRCB-NCXUSEDFSA-N 1 0 414.527 2.927 20 0 HFADRO C[N@H+](CC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[C@@H]1CCSC1 ZINC000794047644 1078365578 /nfs/dbraw/zinc/36/55/78/1078365578.db2.gz KSCCIMUAQBYYSA-RTBURBONSA-N 1 0 405.564 2.589 20 0 HFADRO CC(C)[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@@H](CO)C(C)C ZINC001170443190 1078374237 /nfs/dbraw/zinc/37/42/37/1078374237.db2.gz NCIBACGPVADFIL-RBBKRZOGSA-N 1 0 409.615 2.506 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[N@H+]1CC=CCC1 ZINC000794117933 1078374487 /nfs/dbraw/zinc/37/44/87/1078374487.db2.gz FWXIRCHHPMZIKA-FQEVSTJZSA-N 1 0 412.534 2.982 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000794206215 1078380766 /nfs/dbraw/zinc/38/07/66/1078380766.db2.gz KUQGZBVQBVSQEO-UHFFFAOYSA-N 1 0 415.563 2.766 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 ZINC001170444694 1078391311 /nfs/dbraw/zinc/39/13/11/1078391311.db2.gz ULRALUUVWAYBPJ-OALUTQOASA-N 1 0 410.518 2.608 20 0 HFADRO CCc1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC000794292881 1078402510 /nfs/dbraw/zinc/40/25/10/1078402510.db2.gz KOFXUKXJSPBTAE-KRWDZBQOSA-N 1 0 420.554 2.837 20 0 HFADRO CCCc1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)o1 ZINC000794319440 1078412784 /nfs/dbraw/zinc/41/27/84/1078412784.db2.gz HHRNWQLWZPSEGN-INIZCTEOSA-N 1 0 408.543 2.788 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)[C@H](c1cnn(C)c1)CC(=O)N2C ZINC001170445681 1078416956 /nfs/dbraw/zinc/41/69/56/1078416956.db2.gz XCCDAQWRQUEFJK-PMACEKPBSA-N 1 0 424.545 2.950 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000794342069 1078420243 /nfs/dbraw/zinc/42/02/43/1078420243.db2.gz DSYLRCDUYNTHJC-UHFFFAOYSA-N 1 0 418.538 2.966 20 0 HFADRO COC(=O)c1cnc(NC2CC[NH+](C3CCN(C)CC3)CC2)cc1C(F)(F)F ZINC000804397835 1078462172 /nfs/dbraw/zinc/46/21/72/1078462172.db2.gz IPOJFARYDNIMMB-UHFFFAOYSA-N 1 0 400.445 2.858 20 0 HFADRO O=C(CNC(=O)[C@@H]1CCc2cc(Br)ccc21)NCC[NH+]1CCCCCC1 ZINC001129457620 1078461435 /nfs/dbraw/zinc/46/14/35/1078461435.db2.gz FZKDIIHZIXAPQH-GOSISDBHSA-N 1 0 422.367 2.587 20 0 HFADRO COC(=O)c1cnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1C(F)(F)F ZINC000804399792 1078463845 /nfs/dbraw/zinc/46/38/45/1078463845.db2.gz GKZIOBPAELDQES-HUUCEWRRSA-N 1 0 414.472 2.882 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418908 1078468919 /nfs/dbraw/zinc/46/89/19/1078468919.db2.gz ZGTPOBJKUNAYOX-UXHICEINSA-N 1 0 421.969 2.603 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)C1 ZINC001129800545 1078476960 /nfs/dbraw/zinc/47/69/60/1078476960.db2.gz PLDOIIWLFVOUMN-WAOWUJCRSA-N 1 0 405.539 2.657 20 0 HFADRO NC(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC(F)F)c1 ZINC001129481760 1078482036 /nfs/dbraw/zinc/48/20/36/1078482036.db2.gz VIQQVWWBMBKKEM-INIZCTEOSA-N 1 0 403.429 2.890 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)cc2)CC1 ZINC000804657367 1078489539 /nfs/dbraw/zinc/48/95/39/1078489539.db2.gz PSENOMWMOWPEJJ-NRFANRHFSA-N 1 0 416.566 2.910 20 0 HFADRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(Br)cnc3Br)CC2)C1 ZINC000804461968 1078503395 /nfs/dbraw/zinc/50/33/95/1078503395.db2.gz ZTHLJCKTGZVAHK-ZDUSSCGKSA-N 1 0 418.177 2.823 20 0 HFADRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(Br)cnc3Br)CC2)C1 ZINC000804461967 1078503495 /nfs/dbraw/zinc/50/34/95/1078503495.db2.gz ZTHLJCKTGZVAHK-CYBMUJFWSA-N 1 0 418.177 2.823 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cn1cnc(-c2ccccc2)n1 ZINC001129812251 1078510107 /nfs/dbraw/zinc/51/01/07/1078510107.db2.gz ALRGPNJQEYSOFZ-FGZHOGPDSA-N 1 0 419.529 2.598 20 0 HFADRO C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447546 1078515194 /nfs/dbraw/zinc/51/51/94/1078515194.db2.gz GCUUHMREMDVYSR-NFBKMPQASA-N 1 0 421.541 2.685 20 0 HFADRO COc1ccc2sc(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)c(C)c2c1 ZINC001129847389 1078530602 /nfs/dbraw/zinc/53/06/02/1078530602.db2.gz GMUYBNMQGBTGTQ-UHFFFAOYSA-N 1 0 417.575 2.745 20 0 HFADRO C[C@@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001129847939 1078531077 /nfs/dbraw/zinc/53/10/77/1078531077.db2.gz MCLYURIYLGLPPN-MRXNPFEDSA-N 1 0 413.484 2.722 20 0 HFADRO O=C(NCc1ccc2c[nH+]cn2c1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001129554530 1078544853 /nfs/dbraw/zinc/54/48/53/1078544853.db2.gz VMWCYCZAVYKRKX-UHFFFAOYSA-N 1 0 405.426 2.726 20 0 HFADRO C[C@H]1NC(C(=O)Nc2ccccc2C[NH+]2CCSCC2)=NN(c2ccccc2)C1=O ZINC000747192323 1078544958 /nfs/dbraw/zinc/54/49/58/1078544958.db2.gz ZXVAMEOHXKCGCV-MRXNPFEDSA-N 1 0 423.542 2.512 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000804525095 1078563887 /nfs/dbraw/zinc/56/38/87/1078563887.db2.gz YFIVZOGYRJIZSJ-BBRMVZONSA-N 1 0 405.955 2.972 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000804526453 1078564859 /nfs/dbraw/zinc/56/48/59/1078564859.db2.gz RMWQCLQENSMCSJ-RYPRSFHQSA-N 1 0 404.514 2.938 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000804531222 1078568797 /nfs/dbraw/zinc/56/87/97/1078568797.db2.gz UJUYRSIRPVRWES-UHFFFAOYSA-N 1 0 423.542 2.585 20 0 HFADRO Cc1cc2ccccc2n1CC(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001129873135 1078569743 /nfs/dbraw/zinc/56/97/43/1078569743.db2.gz WYGONWZDBAXCMH-UHFFFAOYSA-N 1 0 418.541 2.963 20 0 HFADRO O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)N1CCOCC(F)(F)C1 ZINC001129594334 1078589193 /nfs/dbraw/zinc/58/91/93/1078589193.db2.gz OOLDOOYAZTUSHG-IAGOWNOFSA-N 1 0 407.486 2.853 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000804553001 1078579215 /nfs/dbraw/zinc/57/92/15/1078579215.db2.gz XUJHIHLOOWGKFI-QBUQCISBSA-N 1 0 400.441 2.946 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)/C(=C/c1ccc(F)cc1)n1nnnc1C ZINC000804566067 1078601410 /nfs/dbraw/zinc/60/14/10/1078601410.db2.gz IUJANLCUIARTOL-SILNSSARSA-N 1 0 400.502 2.843 20 0 HFADRO O=C(N1CCC[C@@H](n2ccnn2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001129933251 1078598485 /nfs/dbraw/zinc/59/84/85/1078598485.db2.gz QZLJJUZQCZGYOH-MJGOQNOKSA-N 1 0 407.440 2.896 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000804567219 1078602321 /nfs/dbraw/zinc/60/23/21/1078602321.db2.gz NBUBBVUYSIXWAL-UHFFFAOYSA-N 1 0 417.579 2.967 20 0 HFADRO CCCCCC[N@H+](C)CC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761516 1078611037 /nfs/dbraw/zinc/61/10/37/1078611037.db2.gz HLCKNHJVHBYKHG-IBGZPJMESA-N 1 0 410.603 2.652 20 0 HFADRO O=C(/C=C/c1ccc[nH]1)NCCN(CC[NH+]1CCCCC1)C(=O)/C=C/c1ccc[nH]1 ZINC000804590478 1078624520 /nfs/dbraw/zinc/62/45/20/1078624520.db2.gz WSYBMHZOALJNOV-GFULKKFKSA-N 1 0 409.534 2.500 20 0 HFADRO COC[C@@]1(C(=O)NCc2ccc3c[nH+]cn3c2)CCCCN1C(=O)OC(C)(C)C ZINC001129668078 1078627799 /nfs/dbraw/zinc/62/77/99/1078627799.db2.gz JYPOXCIYBZQUIE-OAQYLSRUSA-N 1 0 402.495 2.757 20 0 HFADRO Cc1noc(-c2ccc(N3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)nc2)n1 ZINC000804808771 1078636939 /nfs/dbraw/zinc/63/69/39/1078636939.db2.gz YOKCNQOLLLDNIS-NRFANRHFSA-N 1 0 404.518 2.837 20 0 HFADRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001129680130 1078644237 /nfs/dbraw/zinc/64/42/37/1078644237.db2.gz VSMKTOMUEMBAKH-LJQANCHMSA-N 1 0 407.580 2.724 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000804830057 1078670704 /nfs/dbraw/zinc/67/07/04/1078670704.db2.gz OHGRPYJIAIPBLR-HKUYNNGSSA-N 1 0 400.567 2.528 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001129970993 1078664543 /nfs/dbraw/zinc/66/45/43/1078664543.db2.gz OVFWDWUSENINEZ-WIYYLYMNSA-N 1 0 408.502 2.610 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)C1 ZINC001129678552 1078666096 /nfs/dbraw/zinc/66/60/96/1078666096.db2.gz BWDQPJQMWDJVOW-OFBHVFLISA-N 1 0 406.490 2.872 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)C1 ZINC001129678553 1078666523 /nfs/dbraw/zinc/66/65/23/1078666523.db2.gz BWDQPJQMWDJVOW-SQVRNEIYSA-N 1 0 406.490 2.872 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000804643672 1078699404 /nfs/dbraw/zinc/69/94/04/1078699404.db2.gz NVPNGVOTYRBRJE-WMZOPIPTSA-N 1 0 414.937 2.829 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3ccc(F)c(F)c3F)cc2)CC1 ZINC001129740547 1078710192 /nfs/dbraw/zinc/71/01/92/1078710192.db2.gz FZDFJNUXALMZIZ-UHFFFAOYSA-N 1 0 405.420 2.731 20 0 HFADRO COc1cc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)ccc1Cl ZINC001129741850 1078713563 /nfs/dbraw/zinc/71/35/63/1078713563.db2.gz CBFHPXXQQIIXBW-UHFFFAOYSA-N 1 0 415.921 2.976 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)Cc3ccc(F)cc3F)cc2)CC1 ZINC001129742852 1078715707 /nfs/dbraw/zinc/71/57/07/1078715707.db2.gz VOZQISLMSFXEKM-UHFFFAOYSA-N 1 0 401.457 2.521 20 0 HFADRO C[C@@H](OCCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001129742903 1078716164 /nfs/dbraw/zinc/71/61/64/1078716164.db2.gz WWTNRTNTFJRZSS-LJQANCHMSA-N 1 0 423.557 2.648 20 0 HFADRO C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804894853 1078751478 /nfs/dbraw/zinc/75/14/78/1078751478.db2.gz BMUJBTRRRHXNHW-KKUMJFAQSA-N 1 0 406.493 2.738 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000804904050 1078759667 /nfs/dbraw/zinc/75/96/67/1078759667.db2.gz UHPZRSSKBQHDTL-APWZRJJASA-N 1 0 413.440 2.961 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000804929196 1078785868 /nfs/dbraw/zinc/78/58/68/1078785868.db2.gz FHZSLCLTBUWDMP-UHFFFAOYSA-N 1 0 406.502 2.568 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000804990168 1078794815 /nfs/dbraw/zinc/79/48/15/1078794815.db2.gz OBJROVOLGOFCPR-UHFFFAOYSA-N 1 0 402.539 2.676 20 0 HFADRO C[C@H](Cc1ccccc1Cl)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000804970463 1078806063 /nfs/dbraw/zinc/80/60/63/1078806063.db2.gz MXVVNHPVZUXLEV-CCNLRDMRSA-N 1 0 406.958 2.654 20 0 HFADRO COC(=O)N1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000805050982 1078863729 /nfs/dbraw/zinc/86/37/29/1078863729.db2.gz HHEPFTQQDHCNKZ-JOCHJYFZSA-N 1 0 400.523 2.525 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000805044812 1078859998 /nfs/dbraw/zinc/85/99/98/1078859998.db2.gz FZIACYDOLHDQTL-KSSFIOAISA-N 1 0 417.428 2.862 20 0 HFADRO CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000805111317 1078896892 /nfs/dbraw/zinc/89/68/92/1078896892.db2.gz UIXFBYOHCVNNGZ-NRFANRHFSA-N 1 0 407.580 2.507 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NCC3([NH+](C)C)CCOCC3)CC2)cc1Cl ZINC000805139381 1078936674 /nfs/dbraw/zinc/93/66/74/1078936674.db2.gz RZKVXFCBLUTAEI-UHFFFAOYSA-N 1 0 408.974 2.845 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCCc1c[nH]c2ccccc12 ZINC000805151627 1078947207 /nfs/dbraw/zinc/94/72/07/1078947207.db2.gz VLTWNHDLJFMAHH-UHFFFAOYSA-N 1 0 406.530 2.937 20 0 HFADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747230363 1078949123 /nfs/dbraw/zinc/94/91/23/1078949123.db2.gz QCAYQHYXOWSQJP-GPXNEJASSA-N 1 0 423.557 2.503 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199271 1078952722 /nfs/dbraw/zinc/95/27/22/1078952722.db2.gz QEWXWWUQJYRPRX-RADWXHQJSA-N 1 0 406.571 2.902 20 0 HFADRO CC1=C(C(=O)N(C)CCN(CC[NH+]2CCCC2)C(=O)C2=C(C)OCCC2)CCCO1 ZINC000805201045 1078953125 /nfs/dbraw/zinc/95/31/25/1078953125.db2.gz OEHOKUFGBIDLFH-UHFFFAOYSA-N 1 0 419.566 2.538 20 0 HFADRO Cc1ncc(CCNC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000805220704 1078991482 /nfs/dbraw/zinc/99/14/82/1078991482.db2.gz AWWJCMWYOJHJPD-FQEVSTJZSA-N 1 0 413.591 2.596 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000805282438 1079008664 /nfs/dbraw/zinc/00/86/64/1079008664.db2.gz NZMSAUBQUSQKJT-VQTJNVASSA-N 1 0 402.539 2.763 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2nn(C)c(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000805275602 1079004895 /nfs/dbraw/zinc/00/48/95/1079004895.db2.gz LYVGKKCPLCSRFT-HXUWFJFHSA-N 1 0 408.502 2.753 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)c2cccc(NS(C)(=O)=O)c2)[NH+](C)C)cc1 ZINC000805275355 1079005361 /nfs/dbraw/zinc/00/53/61/1079005361.db2.gz KPNDXXPHFWGRMI-FQEVSTJZSA-N 1 0 419.547 2.878 20 0 HFADRO CNC(=O)c1cncc(/C=C/C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000805276940 1079005654 /nfs/dbraw/zinc/00/56/54/1079005654.db2.gz LTRWXHCXMMSRPN-VWMRQFFHSA-N 1 0 410.518 2.661 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000805279497 1079006697 /nfs/dbraw/zinc/00/66/97/1079006697.db2.gz LCIPFBLLAPHLEQ-MOPGFXCFSA-N 1 0 405.564 2.804 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000805332992 1079022753 /nfs/dbraw/zinc/02/27/53/1079022753.db2.gz IFGJHTXPYIKMKG-JUXOCIIHSA-N 1 0 403.498 2.822 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000805332332 1079022981 /nfs/dbraw/zinc/02/29/81/1079022981.db2.gz RFTMYHRXUZIBBI-AEFFLSMTSA-N 1 0 420.554 2.618 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000805336515 1079024680 /nfs/dbraw/zinc/02/46/80/1079024680.db2.gz RBUURAXJHSLVMU-ZBFHGGJFSA-N 1 0 408.568 2.909 20 0 HFADRO CN(C)C(=O)O[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC001170479430 1079031147 /nfs/dbraw/zinc/03/11/47/1079031147.db2.gz JCUZABZPIDSLPK-LBPRGKRZSA-N 1 0 402.264 2.689 20 0 HFADRO CN(C)C(=O)O[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC001170479429 1079031186 /nfs/dbraw/zinc/03/11/86/1079031186.db2.gz JCUZABZPIDSLPK-GFCCVEGCSA-N 1 0 402.264 2.689 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000805359001 1079045455 /nfs/dbraw/zinc/04/54/55/1079045455.db2.gz WDZVHJBRKFGMEK-DHIUTWEWSA-N 1 0 411.546 2.873 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000747241292 1079064557 /nfs/dbraw/zinc/06/45/57/1079064557.db2.gz MYKUWQZKWBZHIE-JLHYYAGUSA-N 1 0 414.527 2.947 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2F)ccc1F ZINC000747247140 1079104500 /nfs/dbraw/zinc/10/45/00/1079104500.db2.gz DZXGDLNNYVLAMZ-UHFFFAOYSA-N 1 0 412.458 2.504 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c(Cl)cc1Cl ZINC000747246197 1079102409 /nfs/dbraw/zinc/10/24/09/1079102409.db2.gz BYQJITGYLLSZEG-LLVKDONJSA-N 1 0 409.335 2.933 20 0 HFADRO O=C(NC[C@H]1CCC=CO1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000805510336 1079110628 /nfs/dbraw/zinc/11/06/28/1079110628.db2.gz FFSNDZNDDCIGIL-XPWALMASSA-N 1 0 419.525 2.580 20 0 HFADRO O=C(NC[C@@H]1CCC=CO1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000805510335 1079110680 /nfs/dbraw/zinc/11/06/80/1079110680.db2.gz FFSNDZNDDCIGIL-RJGXRXQPSA-N 1 0 419.525 2.580 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)c2nccn2-c2ccccc2)CC1=O ZINC000805542080 1079131505 /nfs/dbraw/zinc/13/15/05/1079131505.db2.gz DXPJADOJCBPKLU-WSTZPKSXSA-N 1 0 410.518 2.809 20 0 HFADRO CC(C)N(C(=O)Cn1cnc2sccc2c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130256816 1079145666 /nfs/dbraw/zinc/14/56/66/1079145666.db2.gz DWKYUMOOZSBUCC-SFHVURJKSA-N 1 0 410.543 2.970 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000747253608 1079152858 /nfs/dbraw/zinc/15/28/58/1079152858.db2.gz MULSYFNVLRNKCS-YNVLEZGZSA-N 1 0 406.548 2.899 20 0 HFADRO CCOC1CC(C(=O)OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000805639482 1079191680 /nfs/dbraw/zinc/19/16/80/1079191680.db2.gz AGRZGKMSKGIOGE-RJYAGPCLSA-N 1 0 408.926 2.951 20 0 HFADRO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001130300639 1079191706 /nfs/dbraw/zinc/19/17/06/1079191706.db2.gz BXHITWYTXGNIGR-OALUTQOASA-N 1 0 407.580 2.819 20 0 HFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)C1 ZINC001130300777 1079192120 /nfs/dbraw/zinc/19/21/20/1079192120.db2.gz DIYYXOOMQJITHL-DUXKGJEZSA-N 1 0 419.591 2.854 20 0 HFADRO CSCC[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1C(=O)c2ccccc2C1=O ZINC001130301504 1079193877 /nfs/dbraw/zinc/19/38/77/1079193877.db2.gz POYXBPAJVWOLIC-GBESFXJTSA-N 1 0 415.559 2.537 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000805637599 1079190232 /nfs/dbraw/zinc/19/02/32/1079190232.db2.gz VNBVLQDJTWCPSO-GOSISDBHSA-N 1 0 411.550 2.505 20 0 HFADRO COC(=O)c1ccnc(Cl)c1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170485891 1079202971 /nfs/dbraw/zinc/20/29/71/1079202971.db2.gz CCQBGCUMEUSAFF-WLYUNCDWSA-N 1 0 416.909 2.893 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000747266169 1079235322 /nfs/dbraw/zinc/23/53/22/1079235322.db2.gz HDSRMCJOTKXMPM-GWKQRERASA-N 1 0 402.516 2.672 20 0 HFADRO CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000805768199 1079270428 /nfs/dbraw/zinc/27/04/28/1079270428.db2.gz UNAAQZMIPWHNJI-DENIHFKCSA-N 1 0 409.578 2.974 20 0 HFADRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)[C@@H](C)C[N@@H+]1C ZINC001130371006 1079271430 /nfs/dbraw/zinc/27/14/30/1079271430.db2.gz YUXGAJMIEFFNBR-QSJFSLAZSA-N 1 0 411.468 2.993 20 0 HFADRO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C)C2=O ZINC001130369729 1079268248 /nfs/dbraw/zinc/26/82/48/1079268248.db2.gz IJUJVJMSUSZRRK-DAQDWLLYSA-N 1 0 420.598 2.843 20 0 HFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000805825834 1079295670 /nfs/dbraw/zinc/29/56/70/1079295670.db2.gz HUFXCVITDJUJNZ-ZDUSSCGKSA-N 1 0 403.552 2.905 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000805818638 1079290453 /nfs/dbraw/zinc/29/04/53/1079290453.db2.gz HCSYCFLFGIXLAI-UHFFFAOYSA-N 1 0 418.538 2.947 20 0 HFADRO NC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805826769 1079296031 /nfs/dbraw/zinc/29/60/31/1079296031.db2.gz JFCMOTSAHSCDPB-IBGZPJMESA-N 1 0 403.523 2.964 20 0 HFADRO O=C(CN1CCCC[C@@H]1COC(=O)NC1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000805827384 1079296973 /nfs/dbraw/zinc/29/69/73/1079296973.db2.gz QSYKNDZDVJRGSC-OAQYLSRUSA-N 1 0 420.598 2.643 20 0 HFADRO O=C(C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001170490777 1079301021 /nfs/dbraw/zinc/30/10/21/1079301021.db2.gz OPDONPIQHAFNTN-HNAYVOBHSA-N 1 0 423.439 2.611 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(C(=O)N4CCCC4)cn3)cc2)CC1 ZINC001170490771 1079301072 /nfs/dbraw/zinc/30/10/72/1079301072.db2.gz VZYZMMDUZIVUPT-LMDPOFIKSA-N 1 0 421.545 2.689 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)ccc1F ZINC000747273458 1079303122 /nfs/dbraw/zinc/30/31/22/1079303122.db2.gz BPICLSOUMXMETI-UHFFFAOYSA-N 1 0 400.516 2.745 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000805944455 1079346003 /nfs/dbraw/zinc/34/60/03/1079346003.db2.gz VXPFZDAWSZBYSG-FMGIXGHUSA-N 1 0 423.557 2.570 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(-c4ncccn4)cn3)cc2)CC1 ZINC001170493435 1079347555 /nfs/dbraw/zinc/34/75/55/1079347555.db2.gz OPNLZUQHTWLMJW-WWDZGPRUSA-N 1 0 402.502 2.910 20 0 HFADRO C[C@@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001130455001 1079378988 /nfs/dbraw/zinc/37/89/88/1079378988.db2.gz RYHXUFJTEIWLKB-CEXWTWQISA-N 1 0 406.530 2.850 20 0 HFADRO C[C@@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001130458985 1079382589 /nfs/dbraw/zinc/38/25/89/1079382589.db2.gz YBQNLIPEXSQRDP-GUDVDZBRSA-N 1 0 404.518 2.845 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)C3=Cc4ccccc4OC3)cc2)CC1 ZINC000806058220 1079403346 /nfs/dbraw/zinc/40/33/46/1079403346.db2.gz ITRPEPYSHDJTAJ-UHFFFAOYSA-N 1 0 421.497 2.786 20 0 HFADRO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000772846187 1079429089 /nfs/dbraw/zinc/42/90/89/1079429089.db2.gz MLYZSAWQGKSSEY-NXHRZFHOSA-N 1 0 423.579 2.765 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cnn(-c4ccccc4)c(=O)c3)cc2)CC1 ZINC001170499615 1079437083 /nfs/dbraw/zinc/43/70/83/1079437083.db2.gz GSHNCEWVXMJMOG-LMDPOFIKSA-N 1 0 417.513 2.604 20 0 HFADRO C[C@H]([NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000806132896 1079434768 /nfs/dbraw/zinc/43/47/68/1079434768.db2.gz CDGNRJXVBJPVKS-SFHVURJKSA-N 1 0 414.554 2.861 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1C ZINC001130517930 1079448208 /nfs/dbraw/zinc/44/82/08/1079448208.db2.gz AUQODSWQAHEVCW-MOPGFXCFSA-N 1 0 407.580 2.772 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130523918 1079459517 /nfs/dbraw/zinc/45/95/17/1079459517.db2.gz PRLVNFIAOJRPDZ-OAHLLOKOSA-N 1 0 410.356 2.896 20 0 HFADRO CC[N@H+](Cc1ccc(C(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1)C(C)C ZINC000806125335 1079456127 /nfs/dbraw/zinc/45/61/27/1079456127.db2.gz HFPFSDUVOIVCAL-MRXNPFEDSA-N 1 0 424.485 2.896 20 0 HFADRO O=S(=O)(c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1)N1CCOCC1 ZINC000806128195 1079458536 /nfs/dbraw/zinc/45/85/36/1079458536.db2.gz OMKZAOYYAGEBSD-QGZVFWFLSA-N 1 0 407.923 2.533 20 0 HFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)C2=O)c(OC)c1 ZINC000806170436 1079461597 /nfs/dbraw/zinc/46/15/97/1079461597.db2.gz SZRFAJRYKJTTLK-NEPXVJNWSA-N 1 0 408.589 2.774 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)cc2)CC1 ZINC001130541313 1079461840 /nfs/dbraw/zinc/46/18/40/1079461840.db2.gz AEJBSWINTUQPAD-NRFANRHFSA-N 1 0 422.529 2.767 20 0 HFADRO CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000806174393 1079464205 /nfs/dbraw/zinc/46/42/05/1079464205.db2.gz WHLQGKKTBPUOBF-HNAYVOBHSA-N 1 0 420.535 2.681 20 0 HFADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2CSc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000806151828 1079467998 /nfs/dbraw/zinc/46/79/98/1079467998.db2.gz QZAWPNKGUGBNLG-AUSIDOKSSA-N 1 0 409.555 2.978 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@H]3COC(=O)NC)cc2)CC1 ZINC000806153349 1079469990 /nfs/dbraw/zinc/46/99/90/1079469990.db2.gz NEMCFCJCMWXGON-IBGZPJMESA-N 1 0 403.527 2.571 20 0 HFADRO CC(C)[C@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000806163870 1079473796 /nfs/dbraw/zinc/47/37/96/1079473796.db2.gz WIUDZXPTAJXLNK-BEFAXECRSA-N 1 0 402.930 2.533 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806182929 1079476679 /nfs/dbraw/zinc/47/66/79/1079476679.db2.gz HNHVCGXFOHYUNI-AOIWGVFYSA-N 1 0 423.579 2.733 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806182931 1079477110 /nfs/dbraw/zinc/47/71/10/1079477110.db2.gz HNHVCGXFOHYUNI-LNLFQRSKSA-N 1 0 423.579 2.733 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc4cc[nH]c4c(C(N)=O)c3)cc2)CC1 ZINC001170501206 1079498143 /nfs/dbraw/zinc/49/81/43/1079498143.db2.gz WMZRPSMJOYZRQK-QQFBHYJXSA-N 1 0 405.502 2.638 20 0 HFADRO C[C@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335856 1076746998 /nfs/dbraw/zinc/74/69/98/1076746998.db2.gz VWOARKMIXJMFFG-OKZBNKHCSA-N 1 0 424.586 2.669 20 0 HFADRO COC(=O)/C=C1/SCC(=O)N1CCCN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000746675371 1076748726 /nfs/dbraw/zinc/74/87/26/1076748726.db2.gz CKAMPINEKUGGSC-CQHJRZBDSA-N 1 0 417.575 2.563 20 0 HFADRO Cc1ccc(Br)nc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000787303092 1076749984 /nfs/dbraw/zinc/74/99/84/1076749984.db2.gz JPADPQLFFHMEFP-FQEVSTJZSA-N 1 0 418.335 2.862 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 ZINC000787353858 1076793743 /nfs/dbraw/zinc/79/37/43/1076793743.db2.gz PVXAFNZPWHNYKE-XMMPIXPASA-N 1 0 420.513 2.860 20 0 HFADRO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000787418972 1076799404 /nfs/dbraw/zinc/79/94/04/1076799404.db2.gz RLICRGLLPBEWGN-XMMPIXPASA-N 1 0 420.513 2.871 20 0 HFADRO COC(=O)c1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc2[nH]ccc21 ZINC001170072626 1076803242 /nfs/dbraw/zinc/80/32/42/1076803242.db2.gz CTWGELNLGWKEFT-UHFFFAOYSA-N 1 0 424.482 2.657 20 0 HFADRO COC(=O)c1cc2[nH]ccc2cc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170072642 1076803252 /nfs/dbraw/zinc/80/32/52/1076803252.db2.gz CYKBSPBEHUAHEH-UHFFFAOYSA-N 1 0 424.482 2.657 20 0 HFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393289 1076806288 /nfs/dbraw/zinc/80/62/88/1076806288.db2.gz IDJQRZQVHQRHCJ-IRXDYDNUSA-N 1 0 419.570 2.938 20 0 HFADRO CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000787408079 1076810071 /nfs/dbraw/zinc/81/00/71/1076810071.db2.gz FGNOJZZDHZYNMO-UHFFFAOYSA-N 1 0 409.571 2.783 20 0 HFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000787508384 1076830001 /nfs/dbraw/zinc/83/00/01/1076830001.db2.gz JVGWCVPUZWTQBH-CYBMUJFWSA-N 1 0 404.417 2.691 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC(c4cccc(F)c4)CC3)n2)CC1 ZINC000787517257 1076832662 /nfs/dbraw/zinc/83/26/62/1076832662.db2.gz HCPZURIJCRCGOM-UHFFFAOYSA-N 1 0 413.497 2.634 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2F)nc1)[NH+]1CCCCC1 ZINC000787470084 1076834540 /nfs/dbraw/zinc/83/45/40/1076834540.db2.gz FJRPZAZMFYCPIM-OAHLLOKOSA-N 1 0 400.454 2.942 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000787532693 1076850953 /nfs/dbraw/zinc/85/09/53/1076850953.db2.gz LREHFMWZYHIPDZ-UHFFFAOYSA-N 1 0 403.976 2.831 20 0 HFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000787541846 1076854633 /nfs/dbraw/zinc/85/46/33/1076854633.db2.gz MHNCNAYDIISCSX-DENIHFKCSA-N 1 0 410.514 2.598 20 0 HFADRO Cc1ccc(C(=O)N[C@H](C(=O)OCCCN2CC[NH+](C(C)C)CC2)C(C)C)cc1 ZINC000787563558 1076866015 /nfs/dbraw/zinc/86/60/15/1076866015.db2.gz XCBMHPNOPLZJHF-NRFANRHFSA-N 1 0 403.567 2.709 20 0 HFADRO CC1CCN(c2ccc(NC(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)cc2)CC1 ZINC000787571216 1076867546 /nfs/dbraw/zinc/86/75/46/1076867546.db2.gz SHFFZFYJRVLLOS-UHFFFAOYSA-N 1 0 424.549 2.963 20 0 HFADRO C[C@H](CCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000746693644 1076873027 /nfs/dbraw/zinc/87/30/27/1076873027.db2.gz GOPSCJRTFUWWDL-CQSZACIVSA-N 1 0 409.939 2.628 20 0 HFADRO CC(=O)Oc1c[nH]c2cc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)ccc12 ZINC001170074901 1076874193 /nfs/dbraw/zinc/87/41/93/1076874193.db2.gz MGIXAMDJESTZNQ-UHFFFAOYSA-N 1 0 424.482 2.795 20 0 HFADRO Cc1cscc1CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000787586798 1076874811 /nfs/dbraw/zinc/87/48/11/1076874811.db2.gz GMJRFEZMIXONNZ-UHFFFAOYSA-N 1 0 400.548 2.842 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)on1)Cc1ccccc1 ZINC000787623620 1076882477 /nfs/dbraw/zinc/88/24/77/1076882477.db2.gz AZIGLCUFRWDIID-PZJWPPBQSA-N 1 0 412.534 2.716 20 0 HFADRO CN(CCc1ccccc1F)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000787627384 1076882949 /nfs/dbraw/zinc/88/29/49/1076882949.db2.gz QCJRXORGHUPENB-UHFFFAOYSA-N 1 0 411.521 2.780 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000787629398 1076883259 /nfs/dbraw/zinc/88/32/59/1076883259.db2.gz ZYIVJFDRLXPOPA-GOSISDBHSA-N 1 0 409.530 2.523 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cnn(-c4ncccc4Cl)c3C(F)(F)Cl)C[C@H]2C1 ZINC000787638823 1076892235 /nfs/dbraw/zinc/89/22/35/1076892235.db2.gz QQOCFFKPUHVYEK-PHIMTYICSA-N 1 0 416.259 2.842 20 0 HFADRO CN(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccsc1 ZINC000787652214 1076898183 /nfs/dbraw/zinc/89/81/83/1076898183.db2.gz IBENZBRUXFAFKO-FQEVSTJZSA-N 1 0 420.623 2.628 20 0 HFADRO COc1cccc(N2CC[NH+]([C@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)c1 ZINC000787684370 1076910287 /nfs/dbraw/zinc/91/02/87/1076910287.db2.gz AAQVVZSWLLCLHS-SIKLNZKXSA-N 1 0 405.539 2.578 20 0 HFADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000787699590 1076917903 /nfs/dbraw/zinc/91/79/03/1076917903.db2.gz PGQBGQCUHQWXQY-UHFFFAOYSA-N 1 0 407.518 2.524 20 0 HFADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C1 ZINC000787707467 1076919824 /nfs/dbraw/zinc/91/98/24/1076919824.db2.gz FVCBLDLSISYNSU-FBAVSBLXSA-N 1 0 411.587 2.764 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2)cc1 ZINC000787709417 1076921032 /nfs/dbraw/zinc/92/10/32/1076921032.db2.gz WZSIOUKBPPEZJN-ACRUOGEOSA-N 1 0 414.594 2.564 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000787710045 1076921337 /nfs/dbraw/zinc/92/13/37/1076921337.db2.gz ZPHSOUXREWXAHL-HCXYKTFWSA-N 1 0 421.607 2.647 20 0 HFADRO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000787752370 1076926812 /nfs/dbraw/zinc/92/68/12/1076926812.db2.gz XKLRFDUIRQLPSY-UGKGYDQZSA-N 1 0 419.591 2.837 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752228 1076926853 /nfs/dbraw/zinc/92/68/53/1076926853.db2.gz UJGXDZBONMKZSJ-GOSISDBHSA-N 1 0 400.910 2.647 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787762474 1076930209 /nfs/dbraw/zinc/93/02/09/1076930209.db2.gz WRLLSPRZPSKXTK-OAQYLSRUSA-N 1 0 408.546 2.712 20 0 HFADRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CC1 ZINC000787731098 1076933724 /nfs/dbraw/zinc/93/37/24/1076933724.db2.gz QYBJRAKTOAWJJO-SFHVURJKSA-N 1 0 417.959 2.770 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000787766601 1076941341 /nfs/dbraw/zinc/94/13/41/1076941341.db2.gz YEYBOTMIOYMXAA-UHFFFAOYSA-N 1 0 424.611 2.609 20 0 HFADRO CC(C)CS(=O)(=O)N1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000787773339 1076942533 /nfs/dbraw/zinc/94/25/33/1076942533.db2.gz FTYWTTHOVPQDGS-HXUWFJFHSA-N 1 0 417.616 2.673 20 0 HFADRO CNC(=O)Cc1nc(COC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000772707927 1076963459 /nfs/dbraw/zinc/96/34/59/1076963459.db2.gz AHYBAPFBNGJRTL-UHFFFAOYSA-N 1 0 401.532 2.777 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000787869808 1076967572 /nfs/dbraw/zinc/96/75/72/1076967572.db2.gz DHKAERZRYOAOMY-RBUKOAKNSA-N 1 0 424.545 2.828 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000787872280 1076968940 /nfs/dbraw/zinc/96/89/40/1076968940.db2.gz BAOONPPYEMJVKF-UHFFFAOYSA-N 1 0 421.501 2.774 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)Nc1cc(C)cnc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000787877218 1076972491 /nfs/dbraw/zinc/97/24/91/1076972491.db2.gz OQQFQOWWNUTHIM-KRWDZBQOSA-N 1 0 400.910 2.935 20 0 HFADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000787880379 1076974392 /nfs/dbraw/zinc/97/43/92/1076974392.db2.gz RYAYAZSSWLPETM-LSDHHAIUSA-N 1 0 411.930 2.683 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000787885191 1076977583 /nfs/dbraw/zinc/97/75/83/1076977583.db2.gz HMXDPLFBJKBEEX-OAQYLSRUSA-N 1 0 422.529 2.697 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000787893441 1076980897 /nfs/dbraw/zinc/98/08/97/1076980897.db2.gz FJTVEJNHTOHRBY-QFIPXVFZSA-N 1 0 415.578 2.899 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CCC2 ZINC000787904471 1076988623 /nfs/dbraw/zinc/98/86/23/1076988623.db2.gz SSWRCPSOZJVJPM-PKOBYXMFSA-N 1 0 403.571 2.728 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000787907968 1076990364 /nfs/dbraw/zinc/99/03/64/1076990364.db2.gz BVIJYBFRDONGDN-RTBURBONSA-N 1 0 402.583 2.633 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000787920301 1076996828 /nfs/dbraw/zinc/99/68/28/1076996828.db2.gz ZGEHZRNNPHUOOT-UHFFFAOYSA-N 1 0 405.886 2.661 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000787920104 1076996853 /nfs/dbraw/zinc/99/68/53/1076996853.db2.gz SXOLYCBMJAYVIV-HNNXBMFYSA-N 1 0 416.522 2.517 20 0 HFADRO C[C@@H](NCc1cnc(C2OCCO2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000787926816 1077000463 /nfs/dbraw/zinc/00/04/63/1077000463.db2.gz XNWJVYPIIDNEJR-CQSZACIVSA-N 1 0 406.527 2.930 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cc(C)cnc3Cl)cc2)CC1 ZINC000787895332 1077002806 /nfs/dbraw/zinc/00/28/06/1077002806.db2.gz CNJRCCUCPRQCAO-UHFFFAOYSA-N 1 0 401.898 2.763 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000787895780 1077002962 /nfs/dbraw/zinc/00/29/62/1077002962.db2.gz HTTPPTPLMCOBJB-UHFFFAOYSA-N 1 0 401.898 2.681 20 0 HFADRO COC(=O)c1cnc(N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C(F)(F)F ZINC000787900119 1077004276 /nfs/dbraw/zinc/00/42/76/1077004276.db2.gz XZMUOXSSYUAIDM-MELADBBJSA-N 1 0 401.429 2.965 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000787960320 1077009379 /nfs/dbraw/zinc/00/93/79/1077009379.db2.gz HTTQJIGQQYNSBQ-LJQANCHMSA-N 1 0 409.530 2.842 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2F)C1 ZINC000746721982 1077010486 /nfs/dbraw/zinc/01/04/86/1077010486.db2.gz XYLBGUSMVYJECO-KRWDZBQOSA-N 1 0 406.502 2.917 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1C ZINC000787968149 1077011702 /nfs/dbraw/zinc/01/17/02/1077011702.db2.gz HMBZJYFGYUNLFA-UHFFFAOYSA-N 1 0 419.751 2.935 20 0 HFADRO C[NH+](C)[C@H](CNC(=O)NC[C@@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000746719257 1077014864 /nfs/dbraw/zinc/01/48/64/1077014864.db2.gz AHTLQVFMASBGBH-IEBWSBKVSA-N 1 0 409.889 2.821 20 0 HFADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787992346 1077020669 /nfs/dbraw/zinc/02/06/69/1077020669.db2.gz ZZZHIBXZKHJLPJ-XMMPIXPASA-N 1 0 424.545 2.513 20 0 HFADRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1NC(=O)OC(C)(C)C ZINC000788036552 1077036021 /nfs/dbraw/zinc/03/60/21/1077036021.db2.gz JWUXEVHLKIUTGN-LSDHHAIUSA-N 1 0 422.526 2.961 20 0 HFADRO CN(CC1CC[NH+](C)CC1)CN1C(=O)C(=O)c2c1ccc(Br)c2Cl ZINC000788047714 1077040559 /nfs/dbraw/zinc/04/05/59/1077040559.db2.gz RQVPXVOXDXOQGG-UHFFFAOYSA-N 1 0 414.731 2.863 20 0 HFADRO Cc1ccc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1N1CCOC1=O ZINC000746728735 1077061368 /nfs/dbraw/zinc/06/13/68/1077061368.db2.gz JHTKFBCAYBHHJK-UHFFFAOYSA-N 1 0 402.495 2.528 20 0 HFADRO Cc1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1N1CCOC1=O ZINC000746733305 1077067130 /nfs/dbraw/zinc/06/71/30/1077067130.db2.gz QTSOSQYRQBFQDS-UHFFFAOYSA-N 1 0 402.495 2.718 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)CC(C)(C)CC(C)=O)cc2)CC1 ZINC000788152035 1077069613 /nfs/dbraw/zinc/06/96/13/1077069613.db2.gz SGXPVWGDOQRMAZ-UHFFFAOYSA-N 1 0 403.523 2.706 20 0 HFADRO COc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cnc1Br ZINC000788170306 1077074152 /nfs/dbraw/zinc/07/41/52/1077074152.db2.gz PWFPEUZUXFONFC-UHFFFAOYSA-N 1 0 408.296 2.723 20 0 HFADRO C[NH+](C)[C@@H](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccccc1 ZINC000788267533 1077093566 /nfs/dbraw/zinc/09/35/66/1077093566.db2.gz UQTUVXGMJNTFMR-WMZHIEFXSA-N 1 0 408.502 2.654 20 0 HFADRO CC1(C(=O)OCC(=O)NCC(=O)c2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000772717602 1077094030 /nfs/dbraw/zinc/09/40/30/1077094030.db2.gz GHMCTRODIJJKMZ-UHFFFAOYSA-N 1 0 414.527 2.893 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ncc3Cl)cn2)CC1 ZINC000788272501 1077094874 /nfs/dbraw/zinc/09/48/74/1077094874.db2.gz XVNQRPCJPHZQSI-UHFFFAOYSA-N 1 0 410.703 2.897 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ncc3Cl)nc2)CC1 ZINC000788281943 1077097035 /nfs/dbraw/zinc/09/70/35/1077097035.db2.gz HRLBUKRAIIKKFY-UHFFFAOYSA-N 1 0 410.703 2.897 20 0 HFADRO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000788288191 1077098956 /nfs/dbraw/zinc/09/89/56/1077098956.db2.gz ZDXVQFGXXWZZJN-VQTJNVASSA-N 1 0 417.531 2.677 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NCCSC(C)(C)C ZINC000788365539 1077128145 /nfs/dbraw/zinc/12/81/45/1077128145.db2.gz TVIXVECWSCFJTJ-IAGOWNOFSA-N 1 0 405.608 2.907 20 0 HFADRO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cnc1Br ZINC000788430597 1077144397 /nfs/dbraw/zinc/14/43/97/1077144397.db2.gz JZRAEAASRCPECZ-UHFFFAOYSA-N 1 0 405.296 2.857 20 0 HFADRO CC1(C(=O)OCCN2C(=O)NC3(CCCC3)C2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000772720140 1077154998 /nfs/dbraw/zinc/15/49/98/1077154998.db2.gz ZTSVJDONCOSMCO-UHFFFAOYSA-N 1 0 413.518 2.697 20 0 HFADRO O=C(NCCCc1nc2ccccc2[nH]1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000788461944 1077167068 /nfs/dbraw/zinc/16/70/68/1077167068.db2.gz VBSQXHVLMAGIDW-UHFFFAOYSA-N 1 0 411.550 2.525 20 0 HFADRO COCCCNC(=O)C1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000788479339 1077174281 /nfs/dbraw/zinc/17/42/81/1077174281.db2.gz SZSRKOFBLRBVIW-SFHVURJKSA-N 1 0 411.587 2.888 20 0 HFADRO C[C@@H]([NH2+]CCN1CCN(c2ccc(F)cc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788507905 1077186358 /nfs/dbraw/zinc/18/63/58/1077186358.db2.gz TUWBOTCFUQINLT-QGZVFWFLSA-N 1 0 406.546 2.793 20 0 HFADRO C[C@@H]1C[C@H](CCNC(=O)C(=O)NCCSC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000788546851 1077195896 /nfs/dbraw/zinc/19/58/96/1077195896.db2.gz MBUYENWLLWNKMY-ZBFHGGJFSA-N 1 0 417.497 2.773 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000788551064 1077197810 /nfs/dbraw/zinc/19/78/10/1077197810.db2.gz NLAOBNFZTAUBGH-UHFFFAOYSA-N 1 0 411.493 2.580 20 0 HFADRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cnc1Br ZINC000788531258 1077204173 /nfs/dbraw/zinc/20/41/73/1077204173.db2.gz WHLBQPPSUVIHJE-OCCSQVGLSA-N 1 0 400.342 2.505 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@]4(CNC(=O)C4)C3)cc2Cl)CC1 ZINC000788577893 1077211500 /nfs/dbraw/zinc/21/15/00/1077211500.db2.gz RJHLCFRFAVGQKZ-NRFANRHFSA-N 1 0 419.957 2.616 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788589022 1077214346 /nfs/dbraw/zinc/21/43/46/1077214346.db2.gz PPCPTEKIDDBDAR-ZDUSSCGKSA-N 1 0 414.344 2.988 20 0 HFADRO COc1cc([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)nc2)ccc1S(=O)(=O)C(F)F ZINC000788604522 1077220736 /nfs/dbraw/zinc/22/07/36/1077220736.db2.gz CCVSGWZMVSQRTI-LLVKDONJSA-N 1 0 413.446 2.896 20 0 HFADRO CCn1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1=O ZINC000788604862 1077221051 /nfs/dbraw/zinc/22/10/51/1077221051.db2.gz MYNOTQBFLBKEBC-IPMKNSEASA-N 1 0 405.539 2.762 20 0 HFADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788607074 1077221614 /nfs/dbraw/zinc/22/16/14/1077221614.db2.gz CNBMGJXCSFHFPH-KUHUBIRLSA-N 1 0 400.523 2.670 20 0 HFADRO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000788606814 1077221872 /nfs/dbraw/zinc/22/18/72/1077221872.db2.gz YJXKRZNYIKLLED-AZUAARDMSA-N 1 0 402.535 2.945 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCn2c(C)nc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788646125 1077223675 /nfs/dbraw/zinc/22/36/75/1077223675.db2.gz QYKVUTZAUTXMGS-HKUYNNGSSA-N 1 0 416.522 2.875 20 0 HFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)C2=O)cc1 ZINC000788646050 1077223709 /nfs/dbraw/zinc/22/37/09/1077223709.db2.gz QIMRRLMGGHGPMJ-KXBFYZLASA-N 1 0 403.523 2.641 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788649378 1077224706 /nfs/dbraw/zinc/22/47/06/1077224706.db2.gz BDYSRZJWIHNMJL-HRQSHJORSA-N 1 0 424.545 2.815 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1Cl ZINC000788653176 1077226843 /nfs/dbraw/zinc/22/68/43/1077226843.db2.gz QHEGBIXOPHOVIF-NEPJUHHUSA-N 1 0 406.957 2.601 20 0 HFADRO CCc1ccc([C@@H](CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC000788621762 1077232169 /nfs/dbraw/zinc/23/21/69/1077232169.db2.gz VUPSVLFLUZCKHJ-PKOBYXMFSA-N 1 0 418.538 2.638 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@@H](C)C1 ZINC000788634457 1077239956 /nfs/dbraw/zinc/23/99/56/1077239956.db2.gz JYRVIDDYPJQETN-CMPLNLGQSA-N 1 0 408.973 2.847 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1Cl ZINC000788636595 1077241532 /nfs/dbraw/zinc/24/15/32/1077241532.db2.gz SAJCWJDGCUBZGZ-LBPRGKRZSA-N 1 0 408.973 2.991 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000788638166 1077241834 /nfs/dbraw/zinc/24/18/34/1077241834.db2.gz LBTDILSEDJTDBS-SFTDATJTSA-N 1 0 422.529 2.665 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000788640059 1077242837 /nfs/dbraw/zinc/24/28/37/1077242837.db2.gz BDIURZLCNAUCBE-DEPWHIHDSA-N 1 0 424.545 2.815 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788640617 1077243882 /nfs/dbraw/zinc/24/38/82/1077243882.db2.gz SXHNQWOLCSQBFH-MRXNPFEDSA-N 1 0 408.930 2.829 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2nnc(CC)[nH]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788691162 1077252180 /nfs/dbraw/zinc/25/21/80/1077252180.db2.gz XWFSVIAMMAVFDV-GJZGRUSLSA-N 1 0 423.558 2.987 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000790959453 1077254542 /nfs/dbraw/zinc/25/45/42/1077254542.db2.gz ZQWALTLVJJPANK-UHFFFAOYSA-N 1 0 402.583 2.797 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000788657521 1077255927 /nfs/dbraw/zinc/25/59/27/1077255927.db2.gz FXIZSGPHUOUTKA-DZFGPLHGSA-N 1 0 422.529 2.523 20 0 HFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788663778 1077258831 /nfs/dbraw/zinc/25/88/31/1077258831.db2.gz WQFHOQGYNNPKAW-PCCBWWKXSA-N 1 0 424.545 2.959 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000746758251 1077263635 /nfs/dbraw/zinc/26/36/35/1077263635.db2.gz UYDJXAATRVUIRE-XLIONFOSSA-N 1 0 418.538 2.847 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000788716649 1077269852 /nfs/dbraw/zinc/26/98/52/1077269852.db2.gz GGCPIAZFBGUUEX-NRFANRHFSA-N 1 0 400.567 2.941 20 0 HFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788751395 1077276504 /nfs/dbraw/zinc/27/65/04/1077276504.db2.gz YBKJHMDOVIMGLU-RCLSDMTESA-N 1 0 400.567 2.795 20 0 HFADRO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788751687 1077276757 /nfs/dbraw/zinc/27/67/57/1077276757.db2.gz SQYSXPXRRDHRIY-OAHLLOKOSA-N 1 0 409.552 2.572 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000788766103 1077281707 /nfs/dbraw/zinc/28/17/07/1077281707.db2.gz NRLULJCPKUXRLS-FQEVSTJZSA-N 1 0 416.566 2.517 20 0 HFADRO COC(=O)c1cnc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)c(OC)c1 ZINC001170147835 1077282780 /nfs/dbraw/zinc/28/27/80/1077282780.db2.gz IJENQSIXDRMDOW-UHFFFAOYSA-N 1 0 420.473 2.786 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000791063827 1077286871 /nfs/dbraw/zinc/28/68/71/1077286871.db2.gz YKBFRWAOEQAAAV-GOSISDBHSA-N 1 0 422.533 2.690 20 0 HFADRO C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC000788800111 1077292010 /nfs/dbraw/zinc/29/20/10/1077292010.db2.gz IVGDUFQTNBFAJX-LJQANCHMSA-N 1 0 414.550 2.630 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]CCc2cnccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788801779 1077292521 /nfs/dbraw/zinc/29/25/21/1077292521.db2.gz ZRUGLJGOVIYKOE-INIZCTEOSA-N 1 0 406.527 2.578 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc4c(c3)C(=O)NCC4)nc3ccc(C)cc3n12 ZINC001170148310 1077292873 /nfs/dbraw/zinc/29/28/73/1077292873.db2.gz DFWCGORBMDXSMO-UHFFFAOYSA-N 1 0 400.486 2.882 20 0 HFADRO CN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788805580 1077293282 /nfs/dbraw/zinc/29/32/82/1077293282.db2.gz SCGKDWQIARTAJO-NRFANRHFSA-N 1 0 412.509 2.700 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)CCN1C(=O)OC(C)(C)C ZINC000788777222 1077298107 /nfs/dbraw/zinc/29/81/07/1077298107.db2.gz OLATWUDOEANTRP-SCTDSRPQSA-N 1 0 420.554 2.852 20 0 HFADRO COc1cccc(-c2nc(C(=O)O[C@@H]3CCCN(c4cc[nH+]c(N)n4)C3)c(C)[nH]2)c1 ZINC000791105865 1077300240 /nfs/dbraw/zinc/30/02/40/1077300240.db2.gz FDOFYDDWPPXNPL-MRXNPFEDSA-N 1 0 408.462 2.592 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cc(C(=O)N(C)C)ccn3)nc3ccc(C)cc3n12 ZINC001170148716 1077300757 /nfs/dbraw/zinc/30/07/57/1077300757.db2.gz CLLMEHIURLRPGU-UHFFFAOYSA-N 1 0 403.490 2.693 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1C(=O)OC(C)(C)C ZINC000788817137 1077307109 /nfs/dbraw/zinc/30/71/09/1077307109.db2.gz WWWZBIDPICCMQU-JKSUJKDBSA-N 1 0 424.567 2.643 20 0 HFADRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788821523 1077308470 /nfs/dbraw/zinc/30/84/70/1077308470.db2.gz XNWLKNWAVPZISX-SJLPKXTDSA-N 1 0 403.523 2.511 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148098 1077308574 /nfs/dbraw/zinc/30/85/74/1077308574.db2.gz ZXUFUUHSTGQQLF-IRXDYDNUSA-N 1 0 407.559 2.565 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)CCN1C(=O)OC(C)(C)C ZINC000788825347 1077310925 /nfs/dbraw/zinc/31/09/25/1077310925.db2.gz YSCPWUJTULCXKQ-LMMKCTJWSA-N 1 0 404.507 2.911 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000791139100 1077318377 /nfs/dbraw/zinc/31/83/77/1077318377.db2.gz ONBOIJBXINUJJX-UHFFFAOYSA-N 1 0 405.539 2.881 20 0 HFADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2nc3ccccn3c2Br)CC1 ZINC000788846701 1077318802 /nfs/dbraw/zinc/31/88/02/1077318802.db2.gz KJDADAGHVKUHDH-MRXNPFEDSA-N 1 0 406.372 2.699 20 0 HFADRO C[NH+](C)CCN1CCC(NC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000788862204 1077323376 /nfs/dbraw/zinc/32/33/76/1077323376.db2.gz XKDAWWBTMIOWAR-UHFFFAOYSA-N 1 0 423.989 2.561 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc(C4(C(N)=O)CC4)cn3)nc3ccc(C)cc3n12 ZINC001170150889 1077333655 /nfs/dbraw/zinc/33/36/55/1077333655.db2.gz NAWGATVQRRDWFO-UHFFFAOYSA-N 1 0 415.501 2.508 20 0 HFADRO Cc1c(Cl)c(C(=O)N(CC[NH+](C)C)Cc2cccs2)sc1S(N)(=O)=O ZINC000791222067 1077334439 /nfs/dbraw/zinc/33/44/39/1077334439.db2.gz MRHDLNOBEBJQBD-UHFFFAOYSA-N 1 0 421.997 2.623 20 0 HFADRO CC(=O)N1C[C@@H](C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)Oc2ccccc21 ZINC000791295109 1077359416 /nfs/dbraw/zinc/35/94/16/1077359416.db2.gz SFRIVSHNOZWQOW-QHCPKHFHSA-N 1 0 423.513 2.590 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2)CC1 ZINC000791294469 1077359442 /nfs/dbraw/zinc/35/94/42/1077359442.db2.gz PAHNTXJLXQGZJY-UHFFFAOYSA-N 1 0 420.506 2.632 20 0 HFADRO COc1cccc([C@H](CNC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)[NH+](C)C)c1 ZINC000791301333 1077363377 /nfs/dbraw/zinc/36/33/77/1077363377.db2.gz QHTDKGBQEPOLKG-RBUKOAKNSA-N 1 0 403.429 2.886 20 0 HFADRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000788960241 1077363751 /nfs/dbraw/zinc/36/37/51/1077363751.db2.gz MWESNGMBCTWNGQ-MRXNPFEDSA-N 1 0 412.328 2.606 20 0 HFADRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000788963406 1077364432 /nfs/dbraw/zinc/36/44/32/1077364432.db2.gz BVADXQWBNVZFGV-MRXNPFEDSA-N 1 0 412.328 2.606 20 0 HFADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000788970967 1077366705 /nfs/dbraw/zinc/36/67/05/1077366705.db2.gz YCXOIURDLYSZBN-WFASDCNBSA-N 1 0 422.410 2.836 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cncc(-n4ccnc4C)n3)nc3ccc(C)cc3n12 ZINC001170151981 1077371433 /nfs/dbraw/zinc/37/14/33/1077371433.db2.gz QVCQYRBXTIINTL-UHFFFAOYSA-N 1 0 413.489 2.880 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1N1CCOC1=O ZINC000746779921 1077378923 /nfs/dbraw/zinc/37/89/23/1077378923.db2.gz CAJZCHWFGJURJG-INIZCTEOSA-N 1 0 416.522 2.518 20 0 HFADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746780969 1077380071 /nfs/dbraw/zinc/38/00/71/1077380071.db2.gz FSQXHPZPLPGFGM-INIZCTEOSA-N 1 0 401.536 2.952 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CCOCC1 ZINC000789012009 1077384362 /nfs/dbraw/zinc/38/43/62/1077384362.db2.gz PUJJEYBRHXTZSL-UHFFFAOYSA-N 1 0 410.946 2.646 20 0 HFADRO COc1ccc([C@@H](CNC(=O)COC(=O)c2ccnc(C)c2)[NH+]2CCCCC2)cc1 ZINC000789021509 1077387145 /nfs/dbraw/zinc/38/71/45/1077387145.db2.gz IUZAVLGNXBAAQG-OAQYLSRUSA-N 1 0 411.502 2.899 20 0 HFADRO Cc1c(Cl)c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)sc1S(N)(=O)=O ZINC000791380869 1077388102 /nfs/dbraw/zinc/38/81/02/1077388102.db2.gz RYWTWMZRKWMQOO-UHFFFAOYSA-N 1 0 401.941 2.980 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1N1CCOC1=O ZINC000746783516 1077392146 /nfs/dbraw/zinc/39/21/46/1077392146.db2.gz XGJYBOCFIYARJL-IBGZPJMESA-N 1 0 416.522 2.517 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)C[C@H](C)O1 ZINC000746788083 1077417472 /nfs/dbraw/zinc/41/74/72/1077417472.db2.gz LNERELNOKGDMIS-CALCHBBNSA-N 1 0 416.566 2.618 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)c1 ZINC000791479333 1077420803 /nfs/dbraw/zinc/42/08/03/1077420803.db2.gz RRRRXKYUBZMBEU-JOCHJYFZSA-N 1 0 411.502 2.787 20 0 HFADRO CC(C)c1cc(C(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000747017597 1077434851 /nfs/dbraw/zinc/43/48/51/1077434851.db2.gz KLXRSDXKRWIYPH-QGZVFWFLSA-N 1 0 412.534 2.870 20 0 HFADRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000791470312 1077443694 /nfs/dbraw/zinc/44/36/94/1077443694.db2.gz SZTCWOSBMFWDLX-VXKWHMMOSA-N 1 0 422.529 2.506 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000791472981 1077444514 /nfs/dbraw/zinc/44/45/14/1077444514.db2.gz OVRXOUJVSSAUOY-QFIPXVFZSA-N 1 0 408.502 2.969 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792551 1077455936 /nfs/dbraw/zinc/45/59/36/1077455936.db2.gz FPQVWPPFCAMJMH-UHFFFAOYSA-N 1 0 401.486 2.666 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1N1CCOC1=O ZINC000746790073 1077462303 /nfs/dbraw/zinc/46/23/03/1077462303.db2.gz RMKIQWHVVDFUEH-NYHFZMIOSA-N 1 0 416.522 2.517 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(NC(=O)CC[NH+](C)C)cc3)C2)c1 ZINC000791545599 1077472376 /nfs/dbraw/zinc/47/23/76/1077472376.db2.gz HHLIRLNKOMMESF-FQEVSTJZSA-N 1 0 410.474 2.717 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1N1CCOC1=O ZINC000746791874 1077481349 /nfs/dbraw/zinc/48/13/49/1077481349.db2.gz XHZMXWZAHVHSMA-HNNXBMFYSA-N 1 0 416.522 2.517 20 0 HFADRO O=C(COC(=O)C(F)(F)C1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000791604272 1077501219 /nfs/dbraw/zinc/50/12/19/1077501219.db2.gz PNWJVTRTNPHFIZ-UHFFFAOYSA-N 1 0 410.461 2.504 20 0 HFADRO O=C(COC(=O)[C@H]1CC(=O)c2ccccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000789301688 1077506175 /nfs/dbraw/zinc/50/61/75/1077506175.db2.gz ONKDVVNTIJMOPK-NRFANRHFSA-N 1 0 406.482 2.812 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000789305436 1077507812 /nfs/dbraw/zinc/50/78/12/1077507812.db2.gz VVJBOBKJXJKEPI-JOCHJYFZSA-N 1 0 420.509 2.989 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1C)[NH+]1CCCC1 ZINC000789352129 1077512832 /nfs/dbraw/zinc/51/28/32/1077512832.db2.gz FMOBGFNXKUWQHK-KRWDZBQOSA-N 1 0 416.909 2.944 20 0 HFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3nc(Br)ccc3F)nc2)C1 ZINC000791655104 1077513558 /nfs/dbraw/zinc/51/35/58/1077513558.db2.gz ZLHXHHKAYQECEN-LBPRGKRZSA-N 1 0 408.275 2.771 20 0 HFADRO Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746802524 1077526451 /nfs/dbraw/zinc/52/64/51/1077526451.db2.gz CKTSRCOHUPFYCJ-INIZCTEOSA-N 1 0 413.440 2.712 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)C2)c1 ZINC000791690440 1077529202 /nfs/dbraw/zinc/52/92/02/1077529202.db2.gz OBPLPPWWJGACSN-ZHRRBRCNSA-N 1 0 411.502 2.834 20 0 HFADRO Cc1cc(C)c(N2C[C@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)c(C)c1 ZINC000791695808 1077531389 /nfs/dbraw/zinc/53/13/89/1077531389.db2.gz RWTSJEBBRUBOFZ-OAQYLSRUSA-N 1 0 415.578 2.924 20 0 HFADRO O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000746805720 1077533149 /nfs/dbraw/zinc/53/31/49/1077533149.db2.gz DGIYRBKXKPSVCP-IRXDYDNUSA-N 1 0 401.429 2.814 20 0 HFADRO CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000789389521 1077534143 /nfs/dbraw/zinc/53/41/43/1077534143.db2.gz SXXBYGIDKKZIEJ-MOPGFXCFSA-N 1 0 411.587 2.813 20 0 HFADRO C[NH+]1CCC(CNC(=S)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CC1 ZINC000789360244 1077537703 /nfs/dbraw/zinc/53/77/03/1077537703.db2.gz WEYIKCGTLNNHBK-OAQYLSRUSA-N 1 0 415.563 2.540 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000746803936 1077548561 /nfs/dbraw/zinc/54/85/61/1077548561.db2.gz QKYJMUJOMORXAI-RTBURBONSA-N 1 0 418.582 2.864 20 0 HFADRO Cc1cc(C)cc(N2CC[C@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)C2=O)c1 ZINC000791777065 1077548973 /nfs/dbraw/zinc/54/89/73/1077548973.db2.gz HJAVEBCRPYPEMG-NRFANRHFSA-N 1 0 401.551 2.616 20 0 HFADRO Cc1sc2nc(CCC(=O)OCCCN3CC[NH+](C(C)C)CC3)[nH]c(=O)c2c1C ZINC000791778552 1077549334 /nfs/dbraw/zinc/54/93/34/1077549334.db2.gz PHWMEDQDZDUTQY-UHFFFAOYSA-N 1 0 420.579 2.906 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000791778410 1077549338 /nfs/dbraw/zinc/54/93/38/1077549338.db2.gz WXZASMJJRWRZIG-UHFFFAOYSA-N 1 0 413.312 2.751 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000791753034 1077552756 /nfs/dbraw/zinc/55/27/56/1077552756.db2.gz XZUXDLPQSWLEKZ-GMAHTHKFSA-N 1 0 423.513 2.596 20 0 HFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)/C=C/c3cnc4ccccc4n3)cc21 ZINC000746806583 1077555878 /nfs/dbraw/zinc/55/58/78/1077555878.db2.gz WKPLPSTVVXVHRE-CSKARUKUSA-N 1 0 403.442 2.751 20 0 HFADRO COc1ccc(/C=C\C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1OC ZINC000746805898 1077558325 /nfs/dbraw/zinc/55/83/25/1077558325.db2.gz HPNCLXCWILJSTL-POHAHGRESA-N 1 0 411.458 2.825 20 0 HFADRO CON(C)S(=O)(=O)c1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000746807030 1077565045 /nfs/dbraw/zinc/56/50/45/1077565045.db2.gz MHGDZGJQCIQGMH-UHFFFAOYSA-N 1 0 424.567 2.787 20 0 HFADRO COc1ccc([C@H]2[C@@H](COC(=O)CN3CCc4ccccc4C3=O)CC[N@@H+]2C)cc1 ZINC000789432712 1077570212 /nfs/dbraw/zinc/57/02/12/1077570212.db2.gz MGUPLLOJBDHBQT-XXBNENTESA-N 1 0 408.498 2.930 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815809 1077583680 /nfs/dbraw/zinc/58/36/80/1077583680.db2.gz NLOQOSQZVBSOEM-PKOBYXMFSA-N 1 0 407.942 2.713 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)CC1 ZINC000791896319 1077589655 /nfs/dbraw/zinc/58/96/55/1077589655.db2.gz BMOJNYGFNPSAJY-UHFFFAOYSA-N 1 0 414.543 2.581 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OC[C@@H]1CCCS(=O)(=O)C1 ZINC000791877067 1077595444 /nfs/dbraw/zinc/59/54/44/1077595444.db2.gz XOMNDNQSIUWDKP-ROUUACIJSA-N 1 0 409.548 2.921 20 0 HFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000791940472 1077600461 /nfs/dbraw/zinc/60/04/61/1077600461.db2.gz UEINQBNBVSZYCI-CALCHBBNSA-N 1 0 418.946 2.948 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000791913854 1077608691 /nfs/dbraw/zinc/60/86/91/1077608691.db2.gz XGWHZBUPZOKNFP-PZJWPPBQSA-N 1 0 421.969 2.819 20 0 HFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)cc1 ZINC000746828576 1077639589 /nfs/dbraw/zinc/63/95/89/1077639589.db2.gz NQGXJZALHONYAS-UHFFFAOYSA-N 1 0 418.538 2.754 20 0 HFADRO CCC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H](O)c1ccccc1 ZINC000792006816 1077646417 /nfs/dbraw/zinc/64/64/17/1077646417.db2.gz OIDDSXDYWAFBJL-RBBKRZOGSA-N 1 0 411.550 2.535 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](c3cccs3)[NH+](C)C)C2)c1 ZINC000792031137 1077658365 /nfs/dbraw/zinc/65/83/65/1077658365.db2.gz VNSTWBAFXKJTHD-AEFFLSMTSA-N 1 0 403.504 2.677 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)C2)c1 ZINC000792056676 1077661898 /nfs/dbraw/zinc/66/18/98/1077661898.db2.gz HXWMZURUJWRKGN-IERDGZPVSA-N 1 0 403.523 2.825 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000746828072 1077668194 /nfs/dbraw/zinc/66/81/94/1077668194.db2.gz JJDKUEKYXIZCGH-LJQANCHMSA-N 1 0 418.582 2.818 20 0 HFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC000789561763 1077680997 /nfs/dbraw/zinc/68/09/97/1077680997.db2.gz UCQQLHPFPQZSFJ-AWEZNQCLSA-N 1 0 421.284 2.966 20 0 HFADRO CCOC(=O)N[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(C)C ZINC000792032950 1077685599 /nfs/dbraw/zinc/68/55/99/1077685599.db2.gz MNTZPZFOOPFTGQ-HBMCJLEFSA-N 1 0 416.566 2.921 20 0 HFADRO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1 ZINC000792106920 1077699981 /nfs/dbraw/zinc/69/99/81/1077699981.db2.gz NBWPUZLWRRXCSV-NRFANRHFSA-N 1 0 403.523 2.777 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000746842273 1077715382 /nfs/dbraw/zinc/71/53/82/1077715382.db2.gz MCOKQKQWMFKBIJ-GBESFXJTSA-N 1 0 410.603 2.506 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000792128510 1077715820 /nfs/dbraw/zinc/71/58/20/1077715820.db2.gz DOYKMOJYFJNYRF-HKBOAZHASA-N 1 0 415.582 2.573 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000789651324 1077719579 /nfs/dbraw/zinc/71/95/79/1077719579.db2.gz FWKCBOPCPUQJRC-MJGOQNOKSA-N 1 0 412.559 2.726 20 0 HFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000792144478 1077721661 /nfs/dbraw/zinc/72/16/61/1077721661.db2.gz XNHJSTBECMIHIN-GOSISDBHSA-N 1 0 406.527 2.540 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000792150408 1077723544 /nfs/dbraw/zinc/72/35/44/1077723544.db2.gz QEUDZOCHBSZPMM-PKTZIBPZSA-N 1 0 420.557 2.999 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000796653153 1077724735 /nfs/dbraw/zinc/72/47/35/1077724735.db2.gz QABLPCBFSHCIEG-TYILLQQXSA-N 1 0 405.495 2.977 20 0 HFADRO O=C(NCc1ccc(N2CCOC2=O)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792162754 1077727641 /nfs/dbraw/zinc/72/76/41/1077727641.db2.gz FOLUSQYPSVNIGK-HXUWFJFHSA-N 1 0 408.502 2.965 20 0 HFADRO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)OCCC[NH+](C)C)c2)cc1 ZINC000792204314 1077745220 /nfs/dbraw/zinc/74/52/20/1077745220.db2.gz WITJNYGGGNDYSZ-UHFFFAOYSA-N 1 0 406.504 2.995 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792225218 1077751147 /nfs/dbraw/zinc/75/11/47/1077751147.db2.gz JHBYZNBCOSBLRF-RTBURBONSA-N 1 0 402.539 2.817 20 0 HFADRO CC(C)COC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792225360 1077751225 /nfs/dbraw/zinc/75/12/25/1077751225.db2.gz LGQDHBWDRJNZFV-FQEVSTJZSA-N 1 0 402.539 2.628 20 0 HFADRO CC(C)CNC(=O)C1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792227486 1077752335 /nfs/dbraw/zinc/75/23/35/1077752335.db2.gz XATPOOZCNNNVOG-FQEVSTJZSA-N 1 0 400.567 2.702 20 0 HFADRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792244301 1077762803 /nfs/dbraw/zinc/76/28/03/1077762803.db2.gz WWWPPSIXAMNTMZ-DZGCQCFKSA-N 1 0 422.323 2.980 20 0 HFADRO O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000789757046 1077763141 /nfs/dbraw/zinc/76/31/41/1077763141.db2.gz LJXFYTYKRQQCRF-UHFFFAOYSA-N 1 0 401.526 2.887 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000789759281 1077764362 /nfs/dbraw/zinc/76/43/62/1077764362.db2.gz SESOIRHWAFSCIA-UHFFFAOYSA-N 1 0 411.521 2.606 20 0 HFADRO Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)nc2C)cc1NC(=O)CC[NH+](C)C ZINC000789768625 1077770508 /nfs/dbraw/zinc/77/05/08/1077770508.db2.gz KTILDDCGWSPKST-UHFFFAOYSA-N 1 0 417.897 2.819 20 0 HFADRO COc1cc(C(F)(F)F)ncc1NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000792281254 1077774232 /nfs/dbraw/zinc/77/42/32/1077774232.db2.gz VDQHVRURVNYVKY-UHFFFAOYSA-N 1 0 424.423 2.768 20 0 HFADRO Cc1ccc(N2C[C@H](C(=O)NCc3ccccc3OCC[NH+](C)C)CC2=O)cc1F ZINC000746855635 1077776242 /nfs/dbraw/zinc/77/62/42/1077776242.db2.gz QXFVFXHYDMUWAG-GOSISDBHSA-N 1 0 413.493 2.744 20 0 HFADRO CC[NH+](CC)CCOC(=O)c1cccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000789749542 1077780677 /nfs/dbraw/zinc/78/06/77/1077780677.db2.gz FLINNKWXKWGSGZ-UHFFFAOYSA-N 1 0 408.524 2.763 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCCC[C@H]1C1OCCO1 ZINC000792275048 1077789622 /nfs/dbraw/zinc/78/96/22/1077789622.db2.gz BQSXXOOWXFOAFC-GPANFISMSA-N 1 0 405.461 2.729 20 0 HFADRO C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000792308806 1077799570 /nfs/dbraw/zinc/79/95/70/1077799570.db2.gz HNGVXMMNNDHLME-RBUKOAKNSA-N 1 0 422.614 2.698 20 0 HFADRO C[N@H+](CCN1CCN(C(=O)c2nc(Br)cs2)CC1)Cc1ccccc1 ZINC000792321067 1077805482 /nfs/dbraw/zinc/80/54/82/1077805482.db2.gz NBCLUPRAFSARAV-UHFFFAOYSA-N 1 0 423.380 2.795 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000789775429 1077808677 /nfs/dbraw/zinc/80/86/77/1077808677.db2.gz UIPDCPRHWGBXCR-UHFFFAOYSA-N 1 0 416.909 2.750 20 0 HFADRO CCC1([NH+](C)C)CCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC001170165400 1077813205 /nfs/dbraw/zinc/81/32/05/1077813205.db2.gz UUIKEPXVAPPCAX-UHFFFAOYSA-N 1 0 402.358 2.573 20 0 HFADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792369813 1077818571 /nfs/dbraw/zinc/81/85/71/1077818571.db2.gz VGLONIPPZDOYAF-SFHVURJKSA-N 1 0 424.501 2.832 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000789808967 1077820185 /nfs/dbraw/zinc/82/01/85/1077820185.db2.gz NBBXTTKRWQNTSU-MRXNPFEDSA-N 1 0 424.501 2.863 20 0 HFADRO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332936 1077822150 /nfs/dbraw/zinc/82/21/50/1077822150.db2.gz IQCQGHPTJOWSTH-ROUUACIJSA-N 1 0 409.571 2.783 20 0 HFADRO C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000792336969 1077824904 /nfs/dbraw/zinc/82/49/04/1077824904.db2.gz YKZPKDIYRVLMSK-NQIIRXRSSA-N 1 0 418.582 2.737 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000792339467 1077825832 /nfs/dbraw/zinc/82/58/32/1077825832.db2.gz ABQATRJWFUXQRW-ZWKOTPCHSA-N 1 0 413.905 2.925 20 0 HFADRO Cc1cc(NC(=O)C(=O)Nc2ccnn2CC2CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792347075 1077828377 /nfs/dbraw/zinc/82/83/77/1077828377.db2.gz MSHVZRQHDZJEPB-UHFFFAOYSA-N 1 0 424.549 2.709 20 0 HFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C1 ZINC001626112178 1077830490 /nfs/dbraw/zinc/83/04/90/1077830490.db2.gz XKJJULULSZYBHE-LJQANCHMSA-N 1 0 404.514 2.907 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1 ZINC000789885654 1077835986 /nfs/dbraw/zinc/83/59/86/1077835986.db2.gz SMCAOOMBOKHIBQ-QHCPKHFHSA-N 1 0 420.557 2.702 20 0 HFADRO CCOC(=O)c1cc2c(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)[nH]c(C)cc-2n1 ZINC001170165666 1077845130 /nfs/dbraw/zinc/84/51/30/1077845130.db2.gz BTTPICQGYBWKSA-UHFFFAOYSA-N 1 0 422.489 2.916 20 0 HFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccn(CC(F)F)n2)CC1 ZINC000789919936 1077847809 /nfs/dbraw/zinc/84/78/09/1077847809.db2.gz NTEPINLDARUIKQ-CQSZACIVSA-N 1 0 409.456 2.920 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H]3C)cc2)CC1 ZINC000792385113 1077847974 /nfs/dbraw/zinc/84/79/74/1077847974.db2.gz DTDJEYOIGHPZEG-YOEHRIQHSA-N 1 0 412.456 2.566 20 0 HFADRO C[N@H+](CCOc1cccc(CNC(=O)c2ccn(CC(F)F)n2)c1)C1CCOCC1 ZINC000789929658 1077850874 /nfs/dbraw/zinc/85/08/74/1077850874.db2.gz VGHBSTKNSCWVAW-UHFFFAOYSA-N 1 0 422.476 2.568 20 0 HFADRO CCOC(=O)C1=C(C[NH2+][C@@]2(CC)CCOC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000792430205 1077851481 /nfs/dbraw/zinc/85/14/81/1077851481.db2.gz HLMWWVPOJIRXDG-PXNSSMCTSA-N 1 0 407.898 2.670 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000746861969 1077851741 /nfs/dbraw/zinc/85/17/41/1077851741.db2.gz KKNQHXKIRNTQJN-SFHVURJKSA-N 1 0 410.603 2.556 20 0 HFADRO CCS(=O)(=O)c1ccc(CNC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000792494055 1077865850 /nfs/dbraw/zinc/86/58/50/1077865850.db2.gz OHEMTEMKMQRAOZ-XFFZJAGNSA-N 1 0 422.572 2.812 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)=NO1 ZINC000789953084 1077866597 /nfs/dbraw/zinc/86/65/97/1077866597.db2.gz MDHCWELNSLXHKL-GOSISDBHSA-N 1 0 416.522 2.568 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792497193 1077867400 /nfs/dbraw/zinc/86/74/00/1077867400.db2.gz ZRRGGCDSPUJIDG-VQTJNVASSA-N 1 0 417.550 2.651 20 0 HFADRO NC(=[NH2+])N(c1c[nH]c2ncc(Br)nc12)c1ccc(N2CCOCC2)cc1 ZINC001170167498 1077867423 /nfs/dbraw/zinc/86/74/23/1077867423.db2.gz KQPDLSLXIPDVFC-UHFFFAOYSA-N 1 0 416.283 2.589 20 0 HFADRO O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792499096 1077868443 /nfs/dbraw/zinc/86/84/43/1077868443.db2.gz UQRUHNVHAPOFSG-BLGFXRMMSA-N 1 0 403.486 2.696 20 0 HFADRO O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792499099 1077868495 /nfs/dbraw/zinc/86/84/95/1077868495.db2.gz UQRUHNVHAPOFSG-GIFJBRJJSA-N 1 0 403.486 2.696 20 0 HFADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccn(CC(F)F)n3)cc2)CC1 ZINC000789960089 1077870433 /nfs/dbraw/zinc/87/04/33/1077870433.db2.gz NLBUCGRIYCMWRP-UHFFFAOYSA-N 1 0 406.437 2.616 20 0 HFADRO C[N@H+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C1CCCC1 ZINC000789976573 1077878822 /nfs/dbraw/zinc/87/88/22/1077878822.db2.gz SGGIZXCHILJDQO-BGYRXZFFSA-N 1 0 410.518 2.569 20 0 HFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000789985578 1077885682 /nfs/dbraw/zinc/88/56/82/1077885682.db2.gz GWZKISQGWKNQHF-VAMGGRTRSA-N 1 0 410.518 2.521 20 0 HFADRO CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)COC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000792553621 1077901265 /nfs/dbraw/zinc/90/12/65/1077901265.db2.gz PKSSOVHNMSGAPN-UHFFFAOYSA-N 1 0 417.469 2.920 20 0 HFADRO Cn1nc(N(CCCC[NH3+])S(=O)(=O)c2ccc3c(Cl)cccc3c2)ccc1=O ZINC001170180581 1077902642 /nfs/dbraw/zinc/90/26/42/1077902642.db2.gz DDTQIVUJQXTLOB-UHFFFAOYSA-N 1 0 420.922 2.521 20 0 HFADRO CN(C[C@@H]1CCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OC(C)(C)C ZINC000790029843 1077903127 /nfs/dbraw/zinc/90/31/27/1077903127.db2.gz SSWSTEFORKNUQB-KRWDZBQOSA-N 1 0 411.568 2.768 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001170218966 1077910287 /nfs/dbraw/zinc/91/02/87/1077910287.db2.gz XLDSGSSXUCYXHR-IAGOWNOFSA-N 1 0 401.548 2.595 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=O)[NH2+][C@H]3CC[C@@H](C)C3)ccc12 ZINC001170125769 1077913355 /nfs/dbraw/zinc/91/33/55/1077913355.db2.gz PARMGGSKWCFKHD-XUWXXGDYSA-N 1 0 414.506 2.635 20 0 HFADRO CN(C(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000790018686 1077915260 /nfs/dbraw/zinc/91/52/60/1077915260.db2.gz ZLOAXTDOGMFKTQ-UHFFFAOYSA-N 1 0 411.568 2.768 20 0 HFADRO O=C(c1cccnc1)N1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000792578553 1077915529 /nfs/dbraw/zinc/91/55/29/1077915529.db2.gz OAWYDISDENLPBB-ZRZAMGCNSA-N 1 0 418.541 2.524 20 0 HFADRO C[C@@H](NC(=O)C[NH+]1CCC(C2N=NC(=O)O2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001170243732 1077915870 /nfs/dbraw/zinc/91/58/70/1077915870.db2.gz IGVATCIYJYFFRC-LLVKDONJSA-N 1 0 414.384 2.731 20 0 HFADRO CC[C@H]1C[C@H]([N@@H+]2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224200 1077916885 /nfs/dbraw/zinc/91/68/85/1077916885.db2.gz UITSCTRZWRPBLP-KIZRIRGWSA-N 1 0 402.535 2.702 20 0 HFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790030509 1077920099 /nfs/dbraw/zinc/92/00/99/1077920099.db2.gz AYGOSWZGJMNNBD-UHFFFAOYSA-N 1 0 414.594 2.668 20 0 HFADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1nnc(CC(C)C)s1 ZINC001170264542 1077921155 /nfs/dbraw/zinc/92/11/55/1077921155.db2.gz PXFONPICROTLQN-GOEBONIOSA-N 1 0 404.536 2.685 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(=O)OC3CCC3)c(OC3CCC3)n2)O1 ZINC001170276715 1077923578 /nfs/dbraw/zinc/92/35/78/1077923578.db2.gz FVCPYPVXOHEZBX-JBYIUTFZSA-N 1 0 419.522 2.859 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccnnc3)[C@H]2C1 ZINC001170272113 1077925320 /nfs/dbraw/zinc/92/53/20/1077925320.db2.gz GMLWIYWVHXFSJC-PXDUREFJSA-N 1 0 414.937 2.828 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@@H]1C ZINC000790051267 1077931104 /nfs/dbraw/zinc/93/11/04/1077931104.db2.gz DETRTSXWAFPJMC-SIKLNZKXSA-N 1 0 414.594 2.667 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000790054687 1077933159 /nfs/dbraw/zinc/93/31/59/1077933159.db2.gz VCLLQMWYEPPFNB-FQEVSTJZSA-N 1 0 414.594 2.574 20 0 HFADRO CCOC(=O)c1cc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])nc2nc(Cl)ccc21 ZINC001170277165 1077933809 /nfs/dbraw/zinc/93/38/09/1077933809.db2.gz IWJHJUYLEXMDID-PJIJBLCYSA-N 1 0 408.886 2.597 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc(C(=O)Nc3ccccn3)cc2Cl)O1 ZINC001170279371 1077935419 /nfs/dbraw/zinc/93/54/19/1077935419.db2.gz WVAXIJWMLXJEGD-SPYBWZPUSA-N 1 0 405.886 2.519 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001170285694 1077937599 /nfs/dbraw/zinc/93/75/99/1077937599.db2.gz UMAAOSXJDMTRSW-UTRMSSBJSA-N 1 0 402.926 2.666 20 0 HFADRO NC(=O)CC[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCOc2ccccc21 ZINC001170290296 1077938722 /nfs/dbraw/zinc/93/87/22/1077938722.db2.gz JPYCOUWGVICQJS-OXQOHEQNSA-N 1 0 409.486 2.609 20 0 HFADRO CNC(=O)c1cncc(/C=C\C(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001170321921 1077942958 /nfs/dbraw/zinc/94/29/58/1077942958.db2.gz WLMJXDCCCUGPIY-JTHGQSKGSA-N 1 0 420.435 2.892 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000792619440 1077944557 /nfs/dbraw/zinc/94/45/57/1077944557.db2.gz ZIFPKVSESGDPGS-GOSISDBHSA-N 1 0 418.582 2.809 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)c3sc(N4CCCC4)nc3Cl)nc2)CC1 ZINC000746875924 1077949909 /nfs/dbraw/zinc/94/99/09/1077949909.db2.gz FQQTVOKALRUUBC-UHFFFAOYSA-N 1 0 406.943 2.796 20 0 HFADRO CCc1nsc(N2CCC[N@H+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2)n1 ZINC000790129540 1077951373 /nfs/dbraw/zinc/95/13/73/1077951373.db2.gz WSCIIMJJHGYSHE-UHFFFAOYSA-N 1 0 402.568 2.707 20 0 HFADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001170384951 1077956795 /nfs/dbraw/zinc/95/67/95/1077956795.db2.gz DWFONVOMGISBAI-MSOLQXFVSA-N 1 0 414.506 2.509 20 0 HFADRO CC1(C)OCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC001170375577 1077961872 /nfs/dbraw/zinc/96/18/72/1077961872.db2.gz GUMBMDMHCIOEKF-LJQANCHMSA-N 1 0 411.458 2.763 20 0 HFADRO CC1(C)OCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC001170375576 1077961943 /nfs/dbraw/zinc/96/19/43/1077961943.db2.gz GUMBMDMHCIOEKF-IBGZPJMESA-N 1 0 411.458 2.763 20 0 HFADRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)Nc2cccc(I)c2)C1(C)C ZINC001170400323 1077965070 /nfs/dbraw/zinc/96/50/70/1077965070.db2.gz SJDAPCWGMJPZOM-VCTAVGKDSA-N 1 0 402.276 2.879 20 0 HFADRO CC(C)c1nnc(N(C)CCOc2ccccc2Cl)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001691696232 1077966332 /nfs/dbraw/zinc/96/63/32/1077966332.db2.gz RMQGNEJZVGFPTE-HXUWFJFHSA-N 1 0 407.946 2.637 20 0 HFADRO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170410925 1077966365 /nfs/dbraw/zinc/96/63/65/1077966365.db2.gz IOEOJKXGMOYQAG-IRXDYDNUSA-N 1 0 419.566 2.803 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001170412228 1077966844 /nfs/dbraw/zinc/96/68/44/1077966844.db2.gz OMMVWINZHOCTGS-MSOLQXFVSA-N 1 0 407.474 2.579 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000790187453 1077966866 /nfs/dbraw/zinc/96/68/66/1077966866.db2.gz BCTCQDDGPBZFCG-SIKLNZKXSA-N 1 0 411.550 2.633 20 0 HFADRO COc1ccc(Cl)cc1NC(=S)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000792678247 1077971389 /nfs/dbraw/zinc/97/13/89/1077971389.db2.gz UXHUYWQWEJPOFU-UHFFFAOYSA-N 1 0 405.955 2.982 20 0 HFADRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CC(=O)N(CC(F)(F)F)C2)c1=S ZINC000792719442 1077973646 /nfs/dbraw/zinc/97/36/46/1077973646.db2.gz QQVISWUTCBBUSM-CYBMUJFWSA-N 1 0 422.521 2.848 20 0 HFADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000790242276 1077975130 /nfs/dbraw/zinc/97/51/30/1077975130.db2.gz OTBMWHZJZRFBHM-SFHVURJKSA-N 1 0 421.494 2.761 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCC2CC[NH+](CC)CC2)cn1 ZINC000790283754 1077984364 /nfs/dbraw/zinc/98/43/64/1077984364.db2.gz SXKSEAPRFSGJNK-QFIPXVFZSA-N 1 0 413.566 2.880 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC(c4cccnc4)=NO3)cc2)C[C@@H](C)O1 ZINC000790288155 1077986167 /nfs/dbraw/zinc/98/61/67/1077986167.db2.gz FKZSGCOVNAPHHI-DRSNIGMVSA-N 1 0 408.502 2.500 20 0 HFADRO COCc1ncsc1C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000792753641 1077986395 /nfs/dbraw/zinc/98/63/95/1077986395.db2.gz PUOBPQSKLXSJDU-UHFFFAOYSA-N 1 0 421.544 2.634 20 0 HFADRO O=S(=O)(C[C@H]1CCCOC1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000792754752 1077986764 /nfs/dbraw/zinc/98/67/64/1077986764.db2.gz HXMQLYHNZSJILT-KRWDZBQOSA-N 1 0 400.972 2.898 20 0 HFADRO COc1csc(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000747085732 1077989873 /nfs/dbraw/zinc/98/98/73/1077989873.db2.gz UMXRDJVZUPJKFG-UHFFFAOYSA-N 1 0 418.515 2.657 20 0 HFADRO CC(C)c1nnc(N(C)CCN2CCOCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001691696238 1077993061 /nfs/dbraw/zinc/99/30/61/1077993061.db2.gz RQQLNKQFSZEXFV-FQEVSTJZSA-N 1 0 418.561 2.612 20 0 HFADRO C[C@@H]1C[NH+](CCOc2ccc(CCNS(=O)(=O)C[C@@H]3CCCOC3)cc2)C[C@H]1C ZINC000792770787 1077997871 /nfs/dbraw/zinc/99/78/71/1077997871.db2.gz UCESCJYJCZEBKT-SFHLNBCPSA-N 1 0 424.607 2.542 20 0 HFADRO C[C@@H](c1ccc(F)cc1F)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790361250 1078004447 /nfs/dbraw/zinc/00/44/47/1078004447.db2.gz CWZZGWIALXMLPB-KSFYIVLOSA-N 1 0 420.504 2.518 20 0 HFADRO O=C1O[C@]2(CN1CN1CCC(C(F)(F)F)(C(F)(F)F)C1)C[NH+]1CCC2CC1 ZINC000790362324 1078004850 /nfs/dbraw/zinc/00/48/50/1078004850.db2.gz KFXQZICKIFEOOG-ZDUSSCGKSA-N 1 0 401.351 2.677 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCOCCOCCNC(=O)OC(C)(C)C ZINC001170421100 1078005139 /nfs/dbraw/zinc/00/51/39/1078005139.db2.gz OPNZVWDKUQQFNQ-SFHVURJKSA-N 1 0 424.538 2.884 20 0 HFADRO COc1cc(CN(C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c(SC)cc1OC ZINC000790363501 1078005229 /nfs/dbraw/zinc/00/52/29/1078005229.db2.gz BEKIWIPRXKNKIE-NRFANRHFSA-N 1 0 421.563 2.732 20 0 HFADRO COc1cc(CN(C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c(SC)cc1OC ZINC000790363504 1078005376 /nfs/dbraw/zinc/00/53/76/1078005376.db2.gz BEKIWIPRXKNKIE-OAQYLSRUSA-N 1 0 421.563 2.732 20 0 HFADRO CCOC1(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CCCC1 ZINC000792823012 1078006050 /nfs/dbraw/zinc/00/60/50/1078006050.db2.gz GQRKGZDIWMSUFD-UHFFFAOYSA-N 1 0 402.535 2.922 20 0 HFADRO CC(C)Oc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792831241 1078007519 /nfs/dbraw/zinc/00/75/19/1078007519.db2.gz AZVYNZIPCJWDBP-IEBWSBKVSA-N 1 0 411.502 2.805 20 0 HFADRO COc1ccccc1COC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790377658 1078008205 /nfs/dbraw/zinc/00/82/05/1078008205.db2.gz XEBTWBLNSUJHKZ-QHCPKHFHSA-N 1 0 415.534 2.550 20 0 HFADRO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790386013 1078011405 /nfs/dbraw/zinc/01/14/05/1078011405.db2.gz PAGPGNWFAHNPRI-VMRPVKRXSA-N 1 0 405.926 2.976 20 0 HFADRO O=C1O[C@]2(CN1CN1CCn3c(cc4ccc(Cl)cc43)C1)C[NH+]1CCC2CC1 ZINC000790386291 1078011963 /nfs/dbraw/zinc/01/19/63/1078011963.db2.gz LSJOCKRWYLHFFC-NRFANRHFSA-N 1 0 400.910 2.984 20 0 HFADRO COCC1(C(=O)NCCC[NH+]2CCC(C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000792852572 1078014679 /nfs/dbraw/zinc/01/46/79/1078014679.db2.gz MQLOXPPXOXXJJC-UHFFFAOYSA-N 1 0 411.587 2.888 20 0 HFADRO O=C(c1cc(F)ccc1F)C1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790371135 1078016458 /nfs/dbraw/zinc/01/64/58/1078016458.db2.gz UFLYTLBGJKPVHN-JOCHJYFZSA-N 1 0 419.472 2.734 20 0 HFADRO C[C@]1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792887948 1078017426 /nfs/dbraw/zinc/01/74/26/1078017426.db2.gz TVHUZCCAZRGKKQ-QHCPKHFHSA-N 1 0 414.550 2.961 20 0 HFADRO CN(Cc1cc(Br)ccc1F)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790374807 1078017856 /nfs/dbraw/zinc/01/78/56/1078017856.db2.gz ZNBGQZPWLYIDGJ-SFHVURJKSA-N 1 0 412.303 2.894 20 0 HFADRO O=C1O[C@]2(CN1CN1CCN(c3ccc(C(F)(F)F)cc3)CC1)C[NH+]1CCC2CC1 ZINC000790374902 1078017906 /nfs/dbraw/zinc/01/79/06/1078017906.db2.gz UPZOTTADYPPYQK-FQEVSTJZSA-N 1 0 424.467 2.702 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)[C@H](C)C1 ZINC000790377160 1078018485 /nfs/dbraw/zinc/01/84/85/1078018485.db2.gz WPZICWPRDRWGLF-YLJYHZDGSA-N 1 0 422.545 2.911 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCC(OCc3ccccc3F)CC1)C[NH+]1CCC2CC1 ZINC000790376690 1078018656 /nfs/dbraw/zinc/01/86/56/1078018656.db2.gz VYCAJOUTASJFIG-JOCHJYFZSA-N 1 0 403.498 2.681 20 0 HFADRO C[C@@]12CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@@H]1C2(Cl)Cl ZINC000792902630 1078019596 /nfs/dbraw/zinc/01/95/96/1078019596.db2.gz LUPZFSZTCYEFKT-FUHWJXTLSA-N 1 0 418.409 2.653 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000792944504 1078022863 /nfs/dbraw/zinc/02/28/63/1078022863.db2.gz SWUBHFCXUDSYDV-LJQANCHMSA-N 1 0 405.539 2.678 20 0 HFADRO COC(=O)C1=C(C[NH+]2CCC3(CCOCC3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000792934238 1078028633 /nfs/dbraw/zinc/02/86/33/1078028633.db2.gz QYFZTSVMMURTAK-HXUWFJFHSA-N 1 0 413.518 2.702 20 0 HFADRO Cc1ccccc1-n1nccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000792977372 1078030793 /nfs/dbraw/zinc/03/07/93/1078030793.db2.gz ZGPSSSYZUQJUEE-UHFFFAOYSA-N 1 0 416.469 2.832 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)nc1Br ZINC000792980282 1078031802 /nfs/dbraw/zinc/03/18/02/1078031802.db2.gz NURIPYYNDUFJII-AWEZNQCLSA-N 1 0 419.323 2.728 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)nc1Br ZINC000792980284 1078031865 /nfs/dbraw/zinc/03/18/65/1078031865.db2.gz NURIPYYNDUFJII-CQSZACIVSA-N 1 0 419.323 2.728 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000790439244 1078031880 /nfs/dbraw/zinc/03/18/80/1078031880.db2.gz URAJISHFQKSORJ-UHFFFAOYSA-N 1 0 420.554 2.635 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nc1Br ZINC000792947306 1078032217 /nfs/dbraw/zinc/03/22/17/1078032217.db2.gz GMJRGKQIBXXQMP-AWEZNQCLSA-N 1 0 405.296 2.510 20 0 HFADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)n2)[NH+]2CCCCC2)cc1 ZINC000792947793 1078032380 /nfs/dbraw/zinc/03/23/80/1078032380.db2.gz PWZPXWDDANATMV-KRWDZBQOSA-N 1 0 400.454 2.511 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)nc1Br ZINC000792947829 1078032409 /nfs/dbraw/zinc/03/24/09/1078032409.db2.gz DOJDUPARHIXVFU-UHFFFAOYSA-N 1 0 419.323 2.729 20 0 HFADRO COC(=O)c1c2cnn(CN(C)[C@H]3CC[N@@H+](C4CC4)C3)c2ccc1Br ZINC000790446092 1078034082 /nfs/dbraw/zinc/03/40/82/1078034082.db2.gz LIXKUTKHPFQMQV-ZDUSSCGKSA-N 1 0 407.312 2.711 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)nc1Br ZINC000792965962 1078037605 /nfs/dbraw/zinc/03/76/05/1078037605.db2.gz VTYXERYSVQVROR-SGTLLEGYSA-N 1 0 411.344 2.718 20 0 HFADRO Fc1ccc(I)c(F)c1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000792967715 1078037807 /nfs/dbraw/zinc/03/78/07/1078037807.db2.gz AOQCFDVOGURYKU-MNOVXSKESA-N 1 0 408.230 2.522 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(Br)n2)[NH+](C)C)cc1 ZINC000792970711 1078039356 /nfs/dbraw/zinc/03/93/56/1078039356.db2.gz VVUXPXDPGCDZIR-HNNXBMFYSA-N 1 0 419.323 2.819 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792982685 1078039966 /nfs/dbraw/zinc/03/99/66/1078039966.db2.gz FZWXEHVSRHWNSE-GJZGRUSLSA-N 1 0 423.355 2.896 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792981790 1078040267 /nfs/dbraw/zinc/04/02/67/1078040267.db2.gz ZAFGTSROFWZERB-IBGZPJMESA-N 1 0 416.953 2.804 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CC[N@@H+]1C ZINC000792985032 1078040844 /nfs/dbraw/zinc/04/08/44/1078040844.db2.gz JBIDLOTVEHBOES-MISYRCLQSA-N 1 0 402.539 2.817 20 0 HFADRO O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792985001 1078040979 /nfs/dbraw/zinc/04/09/79/1078040979.db2.gz MCPGOEWMJMCYQC-RTBURBONSA-N 1 0 400.523 2.571 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CC[N@@H+]1C ZINC000792985029 1078041033 /nfs/dbraw/zinc/04/10/33/1078041033.db2.gz JBIDLOTVEHBOES-HOJAQTOUSA-N 1 0 402.539 2.817 20 0 HFADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1 ZINC000792986688 1078041075 /nfs/dbraw/zinc/04/10/75/1078041075.db2.gz BSDNIIQQOUCVJL-VQTJNVASSA-N 1 0 402.539 2.676 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000792988554 1078041730 /nfs/dbraw/zinc/04/17/30/1078041730.db2.gz FCIDNFLJCSEHFM-RLLQIKCJSA-N 1 0 414.550 2.960 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000790483481 1078041846 /nfs/dbraw/zinc/04/18/46/1078041846.db2.gz GRFOSADHZMHTMP-NPPFBWRTSA-N 1 0 402.539 2.629 20 0 HFADRO COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000792990176 1078042239 /nfs/dbraw/zinc/04/22/39/1078042239.db2.gz QEAPOAOHVHUYGV-GMAHTHKFSA-N 1 0 424.545 2.708 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)NCCC3(O)CCOCC3)cc2Cl)CC1 ZINC000806228928 1079510282 /nfs/dbraw/zinc/51/02/82/1079510282.db2.gz OWKXZTVXNQEBQI-UHFFFAOYSA-N 1 0 424.973 2.925 20 0 HFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000806239081 1079514876 /nfs/dbraw/zinc/51/48/76/1079514876.db2.gz MXHIAQNNRYBHSY-VXKWHMMOSA-N 1 0 423.561 2.551 20 0 HFADRO CC(C)NC(=O)OC1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000806244028 1079519960 /nfs/dbraw/zinc/51/99/60/1079519960.db2.gz WAQFWGQOANEHDS-UHFFFAOYSA-N 1 0 406.552 2.629 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1 ZINC000806299460 1079551208 /nfs/dbraw/zinc/55/12/08/1079551208.db2.gz CLFYSJAOSQHTMJ-PMACEKPBSA-N 1 0 415.534 2.902 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000806308060 1079558806 /nfs/dbraw/zinc/55/88/06/1079558806.db2.gz LEDPLOSHOMUJJV-HKUYNNGSSA-N 1 0 406.527 2.608 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000806307694 1079559560 /nfs/dbraw/zinc/55/95/60/1079559560.db2.gz HFMPHZCRIRQGBI-VQTJNVASSA-N 1 0 404.555 2.812 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000806307696 1079559746 /nfs/dbraw/zinc/55/97/46/1079559746.db2.gz HFMPHZCRIRQGBI-WOJBJXKFSA-N 1 0 404.555 2.812 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC001130586733 1079561313 /nfs/dbraw/zinc/56/13/13/1079561313.db2.gz STBOERPVYBUBEP-SQNIBIBYSA-N 1 0 407.580 2.723 20 0 HFADRO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000806319047 1079589854 /nfs/dbraw/zinc/58/98/54/1079589854.db2.gz GNKHFWHEPLBDDK-HKUYNNGSSA-N 1 0 420.558 2.700 20 0 HFADRO O=C(CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)NCc1ccccc1 ZINC000747324980 1079591927 /nfs/dbraw/zinc/59/19/27/1079591927.db2.gz VCPWRTQJCLQVIL-NRFANRHFSA-N 1 0 419.447 2.874 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000747325256 1079594484 /nfs/dbraw/zinc/59/44/84/1079594484.db2.gz GHHNHEVDWDHBID-CABCVRRESA-N 1 0 403.573 2.921 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000747325262 1079594613 /nfs/dbraw/zinc/59/46/13/1079594613.db2.gz GHHNHEVDWDHBID-HUUCEWRRSA-N 1 0 403.573 2.921 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000806328494 1079601374 /nfs/dbraw/zinc/60/13/74/1079601374.db2.gz GMDMOOXAXMIQTM-VQTJNVASSA-N 1 0 421.969 2.603 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ccccc1OCC1CC1 ZINC000806352727 1079624956 /nfs/dbraw/zinc/62/49/56/1079624956.db2.gz YZTSNADETOFOTK-UHFFFAOYSA-N 1 0 409.530 2.812 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000806376175 1079626067 /nfs/dbraw/zinc/62/60/67/1079626067.db2.gz YVAHAVNFTAQGEU-LJQANCHMSA-N 1 0 420.554 2.826 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)C(C)(C)C ZINC000806391050 1079641617 /nfs/dbraw/zinc/64/16/17/1079641617.db2.gz QAXINHMYNKUSRS-RYRKJORJSA-N 1 0 409.596 2.645 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)C(C)(C)C ZINC000806391522 1079642762 /nfs/dbraw/zinc/64/27/62/1079642762.db2.gz XISCGWCMTICBKB-VQTJNVASSA-N 1 0 421.557 2.580 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806359516 1079647782 /nfs/dbraw/zinc/64/77/82/1079647782.db2.gz BMQLSZHIMNPYDX-CEXWTWQISA-N 1 0 412.575 2.576 20 0 HFADRO C[N@H+](CCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1)C1CCCCC1 ZINC000806399495 1079687868 /nfs/dbraw/zinc/68/78/68/1079687868.db2.gz PWDALNQMARBAGL-QUCCMNQESA-N 1 0 424.586 2.720 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806407043 1079694149 /nfs/dbraw/zinc/69/41/49/1079694149.db2.gz YMRIAMVHAUHZOW-VAMGGRTRSA-N 1 0 424.586 2.720 20 0 HFADRO CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cn(C)cn1 ZINC001130630812 1079711070 /nfs/dbraw/zinc/71/10/70/1079711070.db2.gz WMVAJHGQFAXAAF-WUHCJGQCSA-N 1 0 400.567 2.866 20 0 HFADRO CCOC(=O)C1CCC(O)(C[C@H](O)C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508925 1079722494 /nfs/dbraw/zinc/72/24/94/1079722494.db2.gz YHDUSGQOWOJDMQ-CXHBIVLNSA-N 1 0 413.942 2.541 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)NC[C@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)ccnc1-2 ZINC000806491065 1079741275 /nfs/dbraw/zinc/74/12/75/1079741275.db2.gz CFLCNAFOEIAXNM-MRXNPFEDSA-N 1 0 406.412 2.785 20 0 HFADRO CN(CC1C[NH+](C)C1)C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC001130651137 1079750130 /nfs/dbraw/zinc/75/01/30/1079750130.db2.gz ILHQRQPXQYZAFT-UHFFFAOYSA-N 1 0 421.950 2.799 20 0 HFADRO Cc1ccc(CC(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c(Cl)n1 ZINC000806502789 1079753788 /nfs/dbraw/zinc/75/37/88/1079753788.db2.gz OOLCKXDDCRTXHP-UHFFFAOYSA-N 1 0 400.910 2.922 20 0 HFADRO CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2CSCCS2)CC1)CC(C)C ZINC000806475709 1079762628 /nfs/dbraw/zinc/76/26/28/1079762628.db2.gz XBXORIOHULKFEK-GOSISDBHSA-N 1 0 415.669 2.558 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000806478268 1079763708 /nfs/dbraw/zinc/76/37/08/1079763708.db2.gz RNVYCMAPGIEPIZ-KRWDZBQOSA-N 1 0 406.531 2.671 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N(CC[NH+](C)C)Cc3ccc(C(F)(F)F)cc3)ccnc1-2 ZINC000806482932 1079769091 /nfs/dbraw/zinc/76/90/91/1079769091.db2.gz UVSZSEPFNFVXNE-UHFFFAOYSA-N 1 0 420.439 2.956 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)NC[C@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806483921 1079770604 /nfs/dbraw/zinc/77/06/04/1079770604.db2.gz VQAWNMDPMFWXJG-ACJLOTCBSA-N 1 0 416.888 2.949 20 0 HFADRO C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)c1ccc[nH]1 ZINC000806527444 1079801542 /nfs/dbraw/zinc/80/15/42/1079801542.db2.gz YSHOEXZSWOUVPR-AWEZNQCLSA-N 1 0 410.440 2.801 20 0 HFADRO COC(=O)[C@@]1(NC(=O)c2cc(C)cc(Cl)n2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130660745 1079807994 /nfs/dbraw/zinc/80/79/94/1079807994.db2.gz NHFZFNGJYOFACN-OAQYLSRUSA-N 1 0 401.894 2.981 20 0 HFADRO CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)C1=O ZINC001130668172 1079818689 /nfs/dbraw/zinc/81/86/89/1079818689.db2.gz DVEZVUIOAAYSDJ-BZSNNMDCSA-N 1 0 414.550 2.607 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000806593222 1079835864 /nfs/dbraw/zinc/83/58/64/1079835864.db2.gz GSVKVVQXLUICAT-SFHVURJKSA-N 1 0 424.567 2.665 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000806596510 1079837972 /nfs/dbraw/zinc/83/79/72/1079837972.db2.gz YHZUNNGFJISILQ-QAPCUYQASA-N 1 0 420.966 2.655 20 0 HFADRO O=C(N1CC[C@H]2NC(=O)CC[C@@H]2C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001130690245 1079851640 /nfs/dbraw/zinc/85/16/40/1079851640.db2.gz KPXRPGILOAGOSC-HLIPFELVSA-N 1 0 409.452 2.568 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)[NH+]2CCCC2)o1 ZINC000806672464 1079906102 /nfs/dbraw/zinc/90/61/02/1079906102.db2.gz DDOBLIQHYXVFDB-QZTJIDSGSA-N 1 0 406.527 2.987 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000806727592 1079950216 /nfs/dbraw/zinc/95/02/16/1079950216.db2.gz JEPFVCAFXSYKGX-UHFFFAOYSA-N 1 0 415.578 2.645 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000806729520 1079952501 /nfs/dbraw/zinc/95/25/01/1079952501.db2.gz PALHCWVBKIAHDA-UHFFFAOYSA-N 1 0 415.578 2.645 20 0 HFADRO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130732683 1079969760 /nfs/dbraw/zinc/96/97/60/1079969760.db2.gz AVLQKTPYDYVSPR-IMRHEYAYSA-N 1 0 410.562 2.717 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000806758252 1079976390 /nfs/dbraw/zinc/97/63/90/1079976390.db2.gz ITVAYKGKKZZNLO-GOSISDBHSA-N 1 0 424.586 2.720 20 0 HFADRO C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001130742252 1080006075 /nfs/dbraw/zinc/00/60/75/1080006075.db2.gz PCUNWGUPKDQNHH-SIKLNZKXSA-N 1 0 419.566 2.616 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000806788332 1080009560 /nfs/dbraw/zinc/00/95/60/1080009560.db2.gz UBQMENLTZZYYSC-FUHWJXTLSA-N 1 0 404.580 2.858 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000806789110 1080010670 /nfs/dbraw/zinc/01/06/70/1080010670.db2.gz MMSQUPIKXMHGIX-UFYCRDLUSA-N 1 0 417.550 2.607 20 0 HFADRO C[C@@]1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC(c2ccccc2Cl)=NO1 ZINC000806797338 1080016184 /nfs/dbraw/zinc/01/61/84/1080016184.db2.gz SMWJHFIRPAKYPY-FQEVSTJZSA-N 1 0 405.926 2.984 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000806814526 1080027020 /nfs/dbraw/zinc/02/70/20/1080027020.db2.gz PYUMSDTZZYDMAI-DFQSSKMNSA-N 1 0 419.591 2.840 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000806813966 1080027472 /nfs/dbraw/zinc/02/74/72/1080027472.db2.gz FZTYFHHIMURANE-GSPCLOLRSA-N 1 0 413.562 2.844 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000806838125 1080051078 /nfs/dbraw/zinc/05/10/78/1080051078.db2.gz QAMDSBMUHVOTCZ-UXHICEINSA-N 1 0 424.586 2.722 20 0 HFADRO C[C@@]1(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806861738 1080063793 /nfs/dbraw/zinc/06/37/93/1080063793.db2.gz ROHXACZCEPOCJR-KKSFZXQISA-N 1 0 405.926 2.983 20 0 HFADRO COc1cccc(C[NH+]2CCC(NC(=O)c3c(C)[nH]c(=O)nc3SC)CC2)c1 ZINC000747364118 1080112662 /nfs/dbraw/zinc/11/26/62/1080112662.db2.gz NDWOLLLTDGPEKH-UHFFFAOYSA-N 1 0 402.520 2.616 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NC[C@@H](O)c2c(F)cccc2F)c1-c1ccccc1 ZINC000806908705 1080114365 /nfs/dbraw/zinc/11/43/65/1080114365.db2.gz NWRAJLBSOJSQEM-LJQANCHMSA-N 1 0 414.456 2.853 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000806937079 1080146085 /nfs/dbraw/zinc/14/60/85/1080146085.db2.gz JAPQHMKIBJAJGI-UHFFFAOYSA-N 1 0 413.566 2.683 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)C1CC1 ZINC000806985147 1080197324 /nfs/dbraw/zinc/19/73/24/1080197324.db2.gz BUGNRAPOOJPZOM-OAQYLSRUSA-N 1 0 409.530 2.879 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000807007904 1080206225 /nfs/dbraw/zinc/20/62/25/1080206225.db2.gz RTUUXBWANGQCCG-PXNSSMCTSA-N 1 0 417.554 2.917 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000807037833 1080227542 /nfs/dbraw/zinc/22/75/42/1080227542.db2.gz DDFZWQSZDYGGRL-OAQYLSRUSA-N 1 0 412.534 2.934 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807067827 1080249449 /nfs/dbraw/zinc/24/94/49/1080249449.db2.gz AJGPQUZLEMMDPG-FQEVSTJZSA-N 1 0 417.554 2.997 20 0 HFADRO CN(C(=O)c1cc(Br)ncc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000807071469 1080254607 /nfs/dbraw/zinc/25/46/07/1080254607.db2.gz KQMQPAQEHOQHTA-ZDUSSCGKSA-N 1 0 415.763 2.738 20 0 HFADRO NC(=O)c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1Cl ZINC000807086011 1080262097 /nfs/dbraw/zinc/26/20/97/1080262097.db2.gz PAQJZLNRWDSWNL-QFBILLFUSA-N 1 0 412.921 2.961 20 0 HFADRO NC(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1Cl ZINC000807086010 1080262165 /nfs/dbraw/zinc/26/21/65/1080262165.db2.gz PAQJZLNRWDSWNL-LPHOPBHVSA-N 1 0 412.921 2.961 20 0 HFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807092872 1080271866 /nfs/dbraw/zinc/27/18/66/1080271866.db2.gz XTQYEMJCNKKKJV-FQEVSTJZSA-N 1 0 401.551 2.603 20 0 HFADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000807113517 1080291215 /nfs/dbraw/zinc/29/12/15/1080291215.db2.gz FDAVEZYFNBVHIL-PBWTXFEYSA-N 1 0 403.592 2.660 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000807149133 1080302912 /nfs/dbraw/zinc/30/29/12/1080302912.db2.gz SZTAHAJNTAXAOH-IMFGXOCKSA-N 1 0 420.554 2.854 20 0 HFADRO CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)CC1 ZINC000807149722 1080306073 /nfs/dbraw/zinc/30/60/73/1080306073.db2.gz GTSBEZNKVIUEDW-OXQOHEQNSA-N 1 0 420.554 2.854 20 0 HFADRO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000807150952 1080308382 /nfs/dbraw/zinc/30/83/82/1080308382.db2.gz VLHMNBLNNQAUNZ-KBAYOESNSA-N 1 0 411.468 2.957 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000807151672 1080310240 /nfs/dbraw/zinc/31/02/40/1080310240.db2.gz GDOFZGZLTGLBER-DENIHFKCSA-N 1 0 402.539 2.961 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000807189906 1080338590 /nfs/dbraw/zinc/33/85/90/1080338590.db2.gz ZHUVHCQREBLRRQ-PCKAHOCUSA-N 1 0 420.476 2.712 20 0 HFADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cnc(C2OCCO2)s1 ZINC000807191301 1080341320 /nfs/dbraw/zinc/34/13/20/1080341320.db2.gz FPQKAOBOFZUIFY-UHFFFAOYSA-N 1 0 417.531 2.636 20 0 HFADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)[C@@H]3CCCC34OCCO4)cc2)C[C@H]1C ZINC000807193433 1080343105 /nfs/dbraw/zinc/34/31/05/1080343105.db2.gz QYXARTVRPKIIPZ-JQVVWYNYSA-N 1 0 416.562 2.855 20 0 HFADRO CNC(=O)CC[C@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807204116 1080350353 /nfs/dbraw/zinc/35/03/53/1080350353.db2.gz VSMOBODFIWLVMX-OFNKIYASSA-N 1 0 400.567 2.989 20 0 HFADRO NC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC000807225137 1080384636 /nfs/dbraw/zinc/38/46/36/1080384636.db2.gz CAPFAOVJLCSVNL-RYQLBKOJSA-N 1 0 412.921 2.864 20 0 HFADRO COCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268164 1080419872 /nfs/dbraw/zinc/41/98/72/1080419872.db2.gz MUSIOPDNUQXIRG-GOSISDBHSA-N 1 0 424.586 2.528 20 0 HFADRO O=C(NCCC1N=NC(=S)N1C1CC1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000747386789 1080460366 /nfs/dbraw/zinc/46/03/66/1080460366.db2.gz QMOQDGJGNYYLLC-KRWDZBQOSA-N 1 0 403.527 2.754 20 0 HFADRO C[NH+](C)Cc1cccc(CNC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000747389286 1080477277 /nfs/dbraw/zinc/47/72/77/1080477277.db2.gz ONXXRIKESAGAFK-UHFFFAOYSA-N 1 0 410.518 2.912 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccnc1Br)c1ccco1 ZINC000807310514 1080504772 /nfs/dbraw/zinc/50/47/72/1080504772.db2.gz LHBFLQBCFULSMD-AAEUAGOBSA-N 1 0 409.284 2.621 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C)nc1Br)c1ccco1 ZINC000807312806 1080506091 /nfs/dbraw/zinc/50/60/91/1080506091.db2.gz TUSFZLMBPDJMND-BXUZGUMPSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1)c1ccco1 ZINC000807313064 1080506138 /nfs/dbraw/zinc/50/61/38/1080506138.db2.gz VZOLVVTWZFHTPR-WBMJQRKESA-N 1 0 420.441 2.781 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)c1ccco1 ZINC000807313372 1080507083 /nfs/dbraw/zinc/50/70/83/1080507083.db2.gz ZHHLSDUUVZZJLQ-GDBMZVCRSA-N 1 0 413.453 2.789 20 0 HFADRO CCN1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)[C@H](C)C1 ZINC000807319156 1080512566 /nfs/dbraw/zinc/51/25/66/1080512566.db2.gz UGBOQQAWRYAXDA-OAHLLOKOSA-N 1 0 404.511 2.833 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807354201 1080514736 /nfs/dbraw/zinc/51/47/36/1080514736.db2.gz GYLPBCCMXVRQSD-XLIONFOSSA-N 1 0 408.502 2.684 20 0 HFADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000807354568 1080517194 /nfs/dbraw/zinc/51/71/94/1080517194.db2.gz LTXHSXNGKATZGL-VQIMIIECSA-N 1 0 416.522 2.915 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(NC(=O)OC)c(F)c1 ZINC000807358796 1080520402 /nfs/dbraw/zinc/52/04/02/1080520402.db2.gz HWFIWFZAAAMLEB-UHFFFAOYSA-N 1 0 408.474 2.667 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000807394334 1080560694 /nfs/dbraw/zinc/56/06/94/1080560694.db2.gz JJOUNEVVVALIFU-INIZCTEOSA-N 1 0 424.998 2.822 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000747393483 1080563177 /nfs/dbraw/zinc/56/31/77/1080563177.db2.gz FIKDBAPHXYRQGA-FCHUYYIVSA-N 1 0 403.542 2.940 20 0 HFADRO Cc1cc(NC(=O)c2ccc(C(N)=O)c(Cl)n2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000807389654 1080586117 /nfs/dbraw/zinc/58/61/17/1080586117.db2.gz MUZXUKLDGMTVCZ-UHFFFAOYSA-N 1 0 415.925 2.925 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)c1-c1ccccc1 ZINC000807434347 1080592367 /nfs/dbraw/zinc/59/23/67/1080592367.db2.gz ZVPPELZZMGMSBA-UHFFFAOYSA-N 1 0 408.477 2.594 20 0 HFADRO C[C@@H](NC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000807401076 1080596618 /nfs/dbraw/zinc/59/66/18/1080596618.db2.gz ISNSORHDNAIISL-SJLPKXTDSA-N 1 0 403.596 2.886 20 0 HFADRO C[C@@H](NC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807401067 1080596647 /nfs/dbraw/zinc/59/66/47/1080596647.db2.gz ISNSORHDNAIISL-AEFFLSMTSA-N 1 0 403.596 2.886 20 0 HFADRO C[C@H](NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807402719 1080597687 /nfs/dbraw/zinc/59/76/87/1080597687.db2.gz LJSPOTSRSFKUMO-WBKMXMRLSA-N 1 0 401.507 2.805 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c(Br)n1 ZINC000807413303 1080608812 /nfs/dbraw/zinc/60/88/12/1080608812.db2.gz JPCOCQKBRDQYHT-UHFFFAOYSA-N 1 0 423.311 2.665 20 0 HFADRO COC(=O)c1ccc2c(n1)CCCN2C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001130960487 1080640977 /nfs/dbraw/zinc/64/09/77/1080640977.db2.gz JYKKFJOYBKQMQJ-UHFFFAOYSA-N 1 0 411.502 2.721 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCCC3(F)CCC3)cc2F)CC1 ZINC000807489650 1080679439 /nfs/dbraw/zinc/67/94/39/1080679439.db2.gz INMFLTBONVRCGU-UHFFFAOYSA-N 1 0 408.493 2.693 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[NH+](C)C ZINC000807492105 1080681183 /nfs/dbraw/zinc/68/11/83/1080681183.db2.gz LGKJEYKCXZATDS-UGSOOPFHSA-N 1 0 409.939 2.717 20 0 HFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807500292 1080696895 /nfs/dbraw/zinc/69/68/95/1080696895.db2.gz VHNXYCPRLLSENK-CPJSRVTESA-N 1 0 423.557 2.523 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC000807509107 1080712504 /nfs/dbraw/zinc/71/25/04/1080712504.db2.gz CWFFQVOWEOGMQU-NRFANRHFSA-N 1 0 413.518 2.978 20 0 HFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000807513471 1080720291 /nfs/dbraw/zinc/72/02/91/1080720291.db2.gz CHZAJJJDCAYGSF-FDDCHVKYSA-N 1 0 412.534 2.792 20 0 HFADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000807543081 1080758764 /nfs/dbraw/zinc/75/87/64/1080758764.db2.gz IQNWHOLAQNIUCW-LAUBAEHRSA-N 1 0 423.513 2.510 20 0 HFADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543694 1080760219 /nfs/dbraw/zinc/76/02/19/1080760219.db2.gz RGHQNAZGGRWRSO-OXJNMPFZSA-N 1 0 424.501 2.973 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000807547091 1080763414 /nfs/dbraw/zinc/76/34/14/1080763414.db2.gz XBNNWQBTNHFTAA-GQWLDOHISA-N 1 0 411.933 2.560 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000807525209 1080777591 /nfs/dbraw/zinc/77/75/91/1080777591.db2.gz ZEWAKSKCVYCYJZ-UHFFFAOYSA-N 1 0 412.481 2.516 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000807525835 1080778689 /nfs/dbraw/zinc/77/86/89/1080778689.db2.gz UZCHEGDOWWOBND-UHFFFAOYSA-N 1 0 402.539 2.771 20 0 HFADRO CCOC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000807590043 1080790615 /nfs/dbraw/zinc/79/06/15/1080790615.db2.gz ZYWZCYRNPHMGGS-UYAOXDASSA-N 1 0 420.554 2.997 20 0 HFADRO COC[C@]1(CNC(=O)N2CCCC23CC[NH+](C)CC3)CCCN1C(=O)OC(C)(C)C ZINC000807554698 1080805488 /nfs/dbraw/zinc/80/54/88/1080805488.db2.gz ZPQQDBHSNVCZMJ-JOCHJYFZSA-N 1 0 424.586 2.672 20 0 HFADRO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cnc(N2CCOCC2)s1)C(F)(F)F ZINC000604766205 1126100197 /nfs/dbraw/zinc/10/01/97/1126100197.db2.gz OCEKHRQXMQCWJW-HZPDHXFCSA-N 1 0 401.454 2.604 20 0 HFADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC001176597711 1126150271 /nfs/dbraw/zinc/15/02/71/1126150271.db2.gz IJVIKSGMRDHHMF-NRFANRHFSA-N 1 0 418.490 2.968 20 0 HFADRO CCOC(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)[nH]1 ZINC001182882044 1126153156 /nfs/dbraw/zinc/15/31/56/1126153156.db2.gz PSOBKTATENHLIK-IBGZPJMESA-N 1 0 407.308 2.964 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC001308547506 1126168048 /nfs/dbraw/zinc/16/80/48/1126168048.db2.gz LHIAKVDMELLJPW-PWIZWCRZSA-N 1 0 413.522 2.598 20 0 HFADRO OC[C@@]1([NH2+]Cc2nnc3n2CCCCC3)CCc2cc(Br)ccc2C1 ZINC001559996742 1126206982 /nfs/dbraw/zinc/20/69/82/1126206982.db2.gz FOFFGDPXYBNHDN-LJQANCHMSA-N 1 0 405.340 2.777 20 0 HFADRO CNC(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001559997335 1126207067 /nfs/dbraw/zinc/20/70/67/1126207067.db2.gz SVWMTSOJJUYGKV-HXUWFJFHSA-N 1 0 403.320 2.818 20 0 HFADRO Cn1ncc2cc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)cnc21 ZINC001560532522 1126211733 /nfs/dbraw/zinc/21/17/33/1126211733.db2.gz MNRLSHZEUSZDIN-IBGZPJMESA-N 1 0 401.308 2.740 20 0 HFADRO [NH3+]C1CC2(C1)CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164387709 718802233 /nfs/dbraw/zinc/80/22/33/718802233.db2.gz MVYFVARYEUIXPY-UHFFFAOYSA-N 1 0 413.591 2.720 20 0 HFADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC4(CC([NH3+])C4)CC3)c2c1C ZINC001164388626 718802262 /nfs/dbraw/zinc/80/22/62/718802262.db2.gz YQQVLWRZNZMSOI-UHFFFAOYSA-N 1 0 401.580 2.848 20 0 HFADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389828 718822874 /nfs/dbraw/zinc/82/28/74/718822874.db2.gz JTYATNNMCMCZMU-DGCLKSJQSA-N 1 0 405.232 2.928 20 0 HFADRO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CCN4CC[NH2+]C[C@@H]4C3)c2)cn1 ZINC001164402324 718837449 /nfs/dbraw/zinc/83/74/49/718837449.db2.gz GDSYLCMKXPOGRV-GOSISDBHSA-N 1 0 414.937 2.931 20 0 HFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)n1 ZINC001164406466 718864371 /nfs/dbraw/zinc/86/43/71/718864371.db2.gz GYWAUIXVIOBRBU-DLBZAZTESA-N 1 0 403.596 2.965 20 0 HFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(F)(F)[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164406910 718869945 /nfs/dbraw/zinc/86/99/45/718869945.db2.gz HTVWLGQATHEFFB-VYDXJSESSA-N 1 0 422.520 2.972 20 0 HFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164619667 719018525 /nfs/dbraw/zinc/01/85/25/719018525.db2.gz WRPUDRMHWBUQGL-DDTOSNHZSA-N 1 0 412.824 2.665 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C(=O)N(C)C)cc3Cl)CC2)CC1 ZINC001164617883 719032452 /nfs/dbraw/zinc/03/24/52/719032452.db2.gz OVGBHFJSSMNFHF-UHFFFAOYSA-N 1 0 422.957 2.681 20 0 HFADRO CCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(N2CCOCC2)n1 ZINC001164627349 719087969 /nfs/dbraw/zinc/08/79/69/719087969.db2.gz JWMYVLMFORBUAT-IFMALSPDSA-N 1 0 407.562 2.976 20 0 HFADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4O[C@@H](c5nc(C6CC6)cs5)C[C@H]4C3)nn2)CC1 ZINC001164646174 719287552 /nfs/dbraw/zinc/28/75/52/719287552.db2.gz NJJMDURBNIUWIF-JQHSSLGASA-N 1 0 412.563 2.529 20 0 HFADRO CC(C)n1nc(CN(C)C)c2c1CN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164651967 719317878 /nfs/dbraw/zinc/31/78/78/719317878.db2.gz IRSXATACVBHZEL-UHFFFAOYSA-N 1 0 412.582 2.862 20 0 HFADRO CC[C@H]1C(=O)N(C)c2cnc(N3CC[NH+](CC(C)C)CC3)nc2N1C1CCCC1 ZINC001164653375 719333273 /nfs/dbraw/zinc/33/32/73/719333273.db2.gz AJKAVGBKPLFSCI-SFHVURJKSA-N 1 0 400.571 2.759 20 0 HFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164664510 719350032 /nfs/dbraw/zinc/35/00/32/719350032.db2.gz WOBDQNUIJGMUGG-UHFFFAOYSA-N 1 0 415.545 2.775 20 0 HFADRO Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cn1 ZINC001164680789 719656393 /nfs/dbraw/zinc/65/63/93/719656393.db2.gz IUJXGTVFNIMUEK-LJQANCHMSA-N 1 0 407.562 2.878 20 0 HFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(F)nn3)CC2)c2ccccc21 ZINC001164686992 719670427 /nfs/dbraw/zinc/67/04/27/719670427.db2.gz ZNAWCGPIKFTHPV-KRWDZBQOSA-N 1 0 411.525 2.709 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164689367 719739600 /nfs/dbraw/zinc/73/96/00/719739600.db2.gz CXWPSWSTDWCNII-UHFFFAOYSA-N 1 0 416.529 2.873 20 0 HFADRO NC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694741 719887394 /nfs/dbraw/zinc/88/73/94/719887394.db2.gz DUBBNZJYADZZEJ-UHFFFAOYSA-N 1 0 406.939 2.767 20 0 HFADRO CCNC(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697614 719895125 /nfs/dbraw/zinc/89/51/25/719895125.db2.gz LYSNUMCPYVXPRW-UHFFFAOYSA-N 1 0 400.548 2.764 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc(N)n1)CC2 ZINC001164712544 720092571 /nfs/dbraw/zinc/09/25/71/720092571.db2.gz WXFUPEZCHCZWNM-MRXNPFEDSA-N 1 0 402.930 2.615 20 0 HFADRO COCc1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(C)n1 ZINC001164718005 720114532 /nfs/dbraw/zinc/11/45/32/720114532.db2.gz PXWPYATZELQUNH-OAQYLSRUSA-N 1 0 411.550 2.834 20 0 HFADRO CCn1cnc2c1ncnc2N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164710453 720142843 /nfs/dbraw/zinc/14/28/43/720142843.db2.gz BQBIOQIRXQKFAS-IBGZPJMESA-N 1 0 421.549 2.749 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164817166 720188329 /nfs/dbraw/zinc/18/83/29/720188329.db2.gz OJIOFZOVWAQHFR-DJJJIMSYSA-N 1 0 423.348 2.911 20 0 HFADRO Cc1nc2ccc(F)cc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164814773 720217521 /nfs/dbraw/zinc/21/75/21/720217521.db2.gz YYGOUKYOUCAAAF-UHFFFAOYSA-N 1 0 410.497 2.885 20 0 HFADRO CCc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(Cl)nc1C ZINC001164816362 720245026 /nfs/dbraw/zinc/24/50/26/720245026.db2.gz IINXEAZHBWNQAU-UHFFFAOYSA-N 1 0 404.946 2.808 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nccc(Cl)n2)CC1 ZINC001164821304 720298447 /nfs/dbraw/zinc/29/84/47/720298447.db2.gz JVCCAVWOYAIBEQ-HUUCEWRRSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(Cl)nc(C3CC3)n2)CC1 ZINC001164827845 720298971 /nfs/dbraw/zinc/29/89/71/720298971.db2.gz YHSPWCBCBOPUQX-SJORKVTESA-N 1 0 403.958 2.919 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)nc2)CC1 ZINC001164818908 720302295 /nfs/dbraw/zinc/30/22/95/720302295.db2.gz BNIQJLUYZUVOQQ-CVEARBPZSA-N 1 0 413.900 2.586 20 0 HFADRO COc1cccc2c1ncnc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825319 720303279 /nfs/dbraw/zinc/30/32/79/720303279.db2.gz TUWKFMLGQNDTHT-MOPGFXCFSA-N 1 0 409.534 2.550 20 0 HFADRO COc1cccc2c1ncnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825328 720303402 /nfs/dbraw/zinc/30/34/02/720303402.db2.gz TUWKFMLGQNDTHT-RTBURBONSA-N 1 0 409.534 2.550 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825904 720305582 /nfs/dbraw/zinc/30/55/82/720305582.db2.gz UJQHLLZBRUDJSC-WOJBJXKFSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3cnccc32)CC1 ZINC001164819175 720309336 /nfs/dbraw/zinc/30/93/36/720309336.db2.gz CQLQFSNOKZVOEF-ROUUACIJSA-N 1 0 414.941 2.590 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828955 720318317 /nfs/dbraw/zinc/31/83/17/720318317.db2.gz KSSXYWRIWYKYIH-RTWAWAEBSA-N 1 0 409.534 2.550 20 0 HFADRO COC(OC)c1cc(C)cnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826220 720331791 /nfs/dbraw/zinc/33/17/91/720331791.db2.gz FTHOSZCZXJFQFK-VQTJNVASSA-N 1 0 416.566 2.593 20 0 HFADRO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834258 720333977 /nfs/dbraw/zinc/33/39/77/720333977.db2.gz YYDXKHYHXWFWSJ-WOJBJXKFSA-N 1 0 410.566 2.924 20 0 HFADRO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834254 720334216 /nfs/dbraw/zinc/33/42/16/720334216.db2.gz YYDXKHYHXWFWSJ-VQTJNVASSA-N 1 0 410.566 2.924 20 0 HFADRO CC(C)n1ccc2c1ncnc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834247 720334254 /nfs/dbraw/zinc/33/42/54/720334254.db2.gz YYDXKHYHXWFWSJ-PMACEKPBSA-N 1 0 410.566 2.924 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833984 720334699 /nfs/dbraw/zinc/33/46/99/720334699.db2.gz YJUOGPVZDVEMOL-LSDHHAIUSA-N 1 0 409.987 2.763 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(C)nc2c1 ZINC001164827487 720343715 /nfs/dbraw/zinc/34/37/15/720343715.db2.gz MGIXKODSNSMZFQ-FGZHOGPDSA-N 1 0 423.561 2.858 20 0 HFADRO COc1ccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(C)nc2c1 ZINC001164827488 720343863 /nfs/dbraw/zinc/34/38/63/720343863.db2.gz MGIXKODSNSMZFQ-VXKWHMMOSA-N 1 0 423.561 2.858 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735127 720414665 /nfs/dbraw/zinc/41/46/65/720414665.db2.gz WGISKLJWYAHQCB-VQTJNVASSA-N 1 0 409.534 2.807 20 0 HFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)nc1)C1CC1 ZINC001164836103 720502287 /nfs/dbraw/zinc/50/22/87/720502287.db2.gz MOPAABMQBZAFMU-FCEUIQTBSA-N 1 0 412.578 2.920 20 0 HFADRO O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164731132 720502355 /nfs/dbraw/zinc/50/23/55/720502355.db2.gz VYYSXWBCVJFHAN-NZQKXSOJSA-N 1 0 407.518 2.697 20 0 HFADRO O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@H]21)N1CCCCC1 ZINC001164840778 720503109 /nfs/dbraw/zinc/50/31/09/720503109.db2.gz XLPRXPCCWUMVDE-VSKRKVRLSA-N 1 0 412.578 2.921 20 0 HFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]21)N1CCCCC1 ZINC001164840772 720503113 /nfs/dbraw/zinc/50/31/13/720503113.db2.gz XLPRXPCCWUMVDE-FKBYEOEOSA-N 1 0 412.578 2.921 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836554 720505228 /nfs/dbraw/zinc/50/52/28/720505228.db2.gz NESCFYGSAYGFBB-QHAWAJNXSA-N 1 0 409.582 2.960 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)C1 ZINC001164730118 720518754 /nfs/dbraw/zinc/51/87/54/720518754.db2.gz RAYGHSAPYHOYRP-LBPRGKRZSA-N 1 0 407.856 2.618 20 0 HFADRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164832795 720523705 /nfs/dbraw/zinc/52/37/05/720523705.db2.gz BKNVRJMFMVCRLV-QLFBSQMISA-N 1 0 407.975 2.821 20 0 HFADRO CCOC(=O)c1cncc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839784 720687924 /nfs/dbraw/zinc/68/79/24/720687924.db2.gz BRQDXRISPXYBDD-LJQANCHMSA-N 1 0 410.518 2.913 20 0 HFADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742038 720698214 /nfs/dbraw/zinc/69/82/14/720698214.db2.gz VMOJGFPXNXVFEB-CHWSQXEVSA-N 1 0 420.851 2.893 20 0 HFADRO CON(C)C(=O)c1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164838294 720718639 /nfs/dbraw/zinc/71/86/39/720718639.db2.gz HUBNLCQCALVUFI-OAQYLSRUSA-N 1 0 424.545 2.975 20 0 HFADRO c1ccc(COc2cccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164739891 720738569 /nfs/dbraw/zinc/73/85/69/720738569.db2.gz JIZBLHGHFYNIBJ-UXHICEINSA-N 1 0 403.486 2.793 20 0 HFADRO Fc1cccc(Oc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164743394 720744114 /nfs/dbraw/zinc/74/41/14/720744114.db2.gz PUVJDUXGSVDJIL-SJLPKXTDSA-N 1 0 408.437 2.540 20 0 HFADRO Clc1ccc2[nH]c3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3c2c1 ZINC001164741597 720749774 /nfs/dbraw/zinc/74/97/74/720749774.db2.gz MTTDGQYHUYGZES-GJZGRUSLSA-N 1 0 421.892 2.896 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746969 720752281 /nfs/dbraw/zinc/75/22/81/720752281.db2.gz ZKGSCFLIRWKEEU-IRXDYDNUSA-N 1 0 412.494 2.561 20 0 HFADRO Fc1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164744196 720778606 /nfs/dbraw/zinc/77/86/06/720778606.db2.gz RLYWDXUQIXEWSH-AEFFLSMTSA-N 1 0 408.437 2.540 20 0 HFADRO Fc1ccc(COc2cccnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164740419 720779034 /nfs/dbraw/zinc/77/90/34/720779034.db2.gz LAVYIEBHFDFSSJ-PMACEKPBSA-N 1 0 421.476 2.932 20 0 HFADRO Clc1nc2c(c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CCC2 ZINC001164740760 720815143 /nfs/dbraw/zinc/81/51/43/720815143.db2.gz AJANACRMBIHCEP-FRQCXROJSA-N 1 0 413.957 2.590 20 0 HFADRO Fc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752081 720815190 /nfs/dbraw/zinc/81/51/90/720815190.db2.gz YOBWCKPYXBVGNM-PLMTUMEDSA-N 1 0 407.497 2.740 20 0 HFADRO Clc1ccc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742098 720816184 /nfs/dbraw/zinc/81/61/84/720816184.db2.gz PUBJANSCYPEJBY-JFIYKMOQSA-N 1 0 424.940 2.649 20 0 HFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743286 720820286 /nfs/dbraw/zinc/82/02/86/720820286.db2.gz RXDBXICLPVFXLK-CIWUYKSXSA-N 1 0 420.920 2.833 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)N4CCCO4)CC[C@@H]32)nc1 ZINC001164847288 720822933 /nfs/dbraw/zinc/82/29/33/720822933.db2.gz IRMUWUIIWCKSDT-IVAOSVALSA-N 1 0 414.550 2.919 20 0 HFADRO c1coc(-c2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cn2)c1 ZINC001164745564 720824563 /nfs/dbraw/zinc/82/45/63/720824563.db2.gz WTZCKCQNAOOEDA-QWFCFKBJSA-N 1 0 405.506 2.708 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ncccc12 ZINC001164740130 720829634 /nfs/dbraw/zinc/82/96/34/720829634.db2.gz JCLFYHCVSHXCEP-JFIYKMOQSA-N 1 0 424.940 2.649 20 0 HFADRO Cc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164742133 720831506 /nfs/dbraw/zinc/83/15/06/720831506.db2.gz PYSHHNPGUMOCCQ-RZUBCFFCSA-N 1 0 403.534 2.909 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@H]2C1 ZINC001164854232 720839004 /nfs/dbraw/zinc/83/90/04/720839004.db2.gz QFWWWDQWCYFNSN-FXAWDEMLSA-N 1 0 402.926 2.971 20 0 HFADRO Fc1cnc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164745242 720842494 /nfs/dbraw/zinc/84/24/94/720842494.db2.gz NBFFSRRYOVTPLG-PLMTUMEDSA-N 1 0 407.497 2.740 20 0 HFADRO FC(F)(c1nccnc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743621 720843311 /nfs/dbraw/zinc/84/33/11/720843311.db2.gz JQHFXFZMCLEYEX-BZUAXINKSA-N 1 0 423.899 2.646 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@H]2C1 ZINC001164849294 720849745 /nfs/dbraw/zinc/84/97/45/720849745.db2.gz BYGQOCCNFUFBRU-OALUTQOASA-N 1 0 416.953 2.894 20 0 HFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ccc(-c5ccccn5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746119 720852276 /nfs/dbraw/zinc/85/22/76/720852276.db2.gz FSIBXMAHTSYCMV-WOIUINJBSA-N 1 0 416.533 2.510 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@H]2C1 ZINC001164854995 720855931 /nfs/dbraw/zinc/85/59/31/720855931.db2.gz LYKHEWWKABUVQL-QFBILLFUSA-N 1 0 402.926 2.971 20 0 HFADRO c1csc(-c2nccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)n1 ZINC001164750208 720859628 /nfs/dbraw/zinc/85/96/28/720859628.db2.gz ORJVDCWPOHKZAB-FGTMMUONSA-N 1 0 422.562 2.571 20 0 HFADRO COc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755742 720871685 /nfs/dbraw/zinc/87/16/85/720871685.db2.gz YOYZWJXIUDCECM-NZQKXSOJSA-N 1 0 409.534 2.635 20 0 HFADRO CN(C)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164748033 720872389 /nfs/dbraw/zinc/87/23/89/720872389.db2.gz DMUQVXCOEWWDEW-URXFXBBRSA-N 1 0 422.577 2.693 20 0 HFADRO COc1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747250 720877429 /nfs/dbraw/zinc/87/74/29/720877429.db2.gz AXYMUADAKMDMTL-NFBKMPQASA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@@H]2C1 ZINC001164863836 720879222 /nfs/dbraw/zinc/87/92/22/720879222.db2.gz UUPAQJHLLIMHGY-YLJYHZDGSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@H]2C1 ZINC001164860448 720881359 /nfs/dbraw/zinc/88/13/59/720881359.db2.gz ONSXUNMIEFICFJ-ROUUACIJSA-N 1 0 402.926 2.971 20 0 HFADRO COCc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164746508 720932950 /nfs/dbraw/zinc/93/29/50/720932950.db2.gz BFAGEHGYUOAXQM-QPPBQGQZSA-N 1 0 423.561 2.773 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3c(F)cccc13)CC2 ZINC001164754513 720968458 /nfs/dbraw/zinc/96/84/58/720968458.db2.gz SWMMLHVJESDNRY-UHFFFAOYSA-N 1 0 417.872 2.869 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001164867410 721039547 /nfs/dbraw/zinc/03/95/47/721039547.db2.gz ITNVFFHPHXMIDB-UHFFFAOYSA-N 1 0 401.898 2.658 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CSCC2 ZINC001164866312 721057556 /nfs/dbraw/zinc/05/75/56/721057556.db2.gz DVIBEAZVDBTLFF-JKSUJKDBSA-N 1 0 417.966 2.794 20 0 HFADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869986 721070055 /nfs/dbraw/zinc/07/00/55/721070055.db2.gz VBMQSTVLWWXUJI-HZPDHXFCSA-N 1 0 415.925 2.770 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)SCC2 ZINC001164870611 721074312 /nfs/dbraw/zinc/07/43/12/721074312.db2.gz WKXGQVMXGXSYNW-CABCVRRESA-N 1 0 403.939 2.653 20 0 HFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771390 721107728 /nfs/dbraw/zinc/10/77/28/721107728.db2.gz SNEAYXHVNJRNER-DLBZAZTESA-N 1 0 417.941 2.912 20 0 HFADRO CCCN(CCC)c1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164862805 721115670 /nfs/dbraw/zinc/11/56/70/721115670.db2.gz AOODYIRWYNSRKB-RTWAWAEBSA-N 1 0 410.566 2.978 20 0 HFADRO CSc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(SC)n1 ZINC001164869310 721189035 /nfs/dbraw/zinc/18/90/35/721189035.db2.gz QFSBUMNRRDXWGD-JKSUJKDBSA-N 1 0 403.577 2.795 20 0 HFADRO CC1CCN(C(=O)c2cccnc2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001164762016 721197028 /nfs/dbraw/zinc/19/70/28/721197028.db2.gz BWGUPPDVXOLJRH-RTWAWAEBSA-N 1 0 422.577 2.646 20 0 HFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2)C1 ZINC001164769383 721197060 /nfs/dbraw/zinc/19/70/60/721197060.db2.gz MFFUUSJVAPAYIA-COPCDDAFSA-N 1 0 422.577 2.646 20 0 HFADRO COc1cccc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164770857 721201158 /nfs/dbraw/zinc/20/11/58/721201158.db2.gz OXKNBECRBASROB-VQTJNVASSA-N 1 0 404.518 2.844 20 0 HFADRO COc1cc2cnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2cc1OC ZINC001164768274 721211445 /nfs/dbraw/zinc/21/14/45/721211445.db2.gz KTLMBUKOWLTPOF-PXNSSMCTSA-N 1 0 407.518 2.944 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C1)C[C@H](NC(=O)c1cnccn1)CCO2 ZINC001164870751 721216780 /nfs/dbraw/zinc/21/67/80/721216780.db2.gz HNSJMAIKESICEZ-IERDGZPVSA-N 1 0 415.925 2.814 20 0 HFADRO Cc1nc(-c2ccncc2)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164768432 721220008 /nfs/dbraw/zinc/22/00/08/721220008.db2.gz KZSKSDTVVNTGNB-NHCUHLMSSA-N 1 0 403.534 2.847 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@H]3C2)cn1 ZINC001164766911 721223113 /nfs/dbraw/zinc/22/31/13/721223113.db2.gz JOMPDWPEWUYJMY-VQTJNVASSA-N 1 0 415.545 2.719 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164766219 721231535 /nfs/dbraw/zinc/23/15/35/721231535.db2.gz SZDKMCBRVXITPL-RBUKOAKNSA-N 1 0 405.506 2.701 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@H]3C2)cn1 ZINC001164769743 721245747 /nfs/dbraw/zinc/24/57/47/721245747.db2.gz ZMABCSGZNPCXIK-LSDHHAIUSA-N 1 0 412.588 2.622 20 0 HFADRO C[N@H+](Cc1ccc(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768140 721275191 /nfs/dbraw/zinc/27/51/91/721275191.db2.gz KMXWTDVZCLVRON-IBGZPJMESA-N 1 0 404.518 2.983 20 0 HFADRO c1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164878166 721329551 /nfs/dbraw/zinc/32/95/51/721329551.db2.gz ZBOLDUAVDAUGMW-LJQANCHMSA-N 1 0 417.517 2.993 20 0 HFADRO Cc1cc2c(ncnc2N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164776675 721344063 /nfs/dbraw/zinc/34/40/63/721344063.db2.gz CBKJLFXMULDSOD-JOCHJYFZSA-N 1 0 410.522 2.990 20 0 HFADRO COc1nc(C)cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780014 721350358 /nfs/dbraw/zinc/35/03/58/721350358.db2.gz YHIKWCHNHWEWGC-OAQYLSRUSA-N 1 0 401.511 2.517 20 0 HFADRO COCOc1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164779066 721352645 /nfs/dbraw/zinc/35/26/45/721352645.db2.gz QCFMSXRUKFAIRA-JOCHJYFZSA-N 1 0 416.522 2.788 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5)nn4)C3)O2)CC1 ZINC001164889206 721391739 /nfs/dbraw/zinc/39/17/39/721391739.db2.gz KXLOLHOPNWCCHS-XUZZJYLKSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1nc2ccc(F)cc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892895 721397721 /nfs/dbraw/zinc/39/77/21/721397721.db2.gz UIHRAMXPORDVIZ-AUSIDOKSSA-N 1 0 413.541 2.843 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CC5)n4)C3)O2)CC1 ZINC001164883489 721414347 /nfs/dbraw/zinc/41/43/47/721414347.db2.gz ACSPWRQXUHEJSN-UTKZUKDTSA-N 1 0 405.974 2.773 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164897730 721430848 /nfs/dbraw/zinc/43/08/48/721430848.db2.gz UPNCNGZYRQYHPK-HRAATJIYSA-N 1 0 421.973 2.547 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164784502 721459644 /nfs/dbraw/zinc/45/96/44/721459644.db2.gz INICLVBSCACTNC-IBGZPJMESA-N 1 0 415.582 2.569 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(OC)n1)CC2 ZINC001164788490 721460054 /nfs/dbraw/zinc/46/00/54/721460054.db2.gz SXESHUREOZMYCW-IBGZPJMESA-N 1 0 404.555 2.528 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(OCOC)cn1)CC2 ZINC001164787794 721460371 /nfs/dbraw/zinc/46/03/71/721460371.db2.gz SJHCLPSLDXMNTB-HXUWFJFHSA-N 1 0 419.566 2.798 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccccc4Cl)nn2)CC3)CC1 ZINC001164797740 721516041 /nfs/dbraw/zinc/51/60/41/721516041.db2.gz MFFTYNXCVYBLBG-UHFFFAOYSA-N 1 0 423.952 2.761 20 0 HFADRO COC(=O)c1ccc2cnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900733 721517195 /nfs/dbraw/zinc/51/71/95/721517195.db2.gz UNAWGNXOIBQQFE-AZUAARDMSA-N 1 0 422.460 2.897 20 0 HFADRO COC(=O)c1ccc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900740 721517269 /nfs/dbraw/zinc/51/72/69/721517269.db2.gz UNAWGNXOIBQQFE-QUCCMNQESA-N 1 0 422.460 2.897 20 0 HFADRO Cc1c(Cl)nc(C(C)C)nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794800 721521351 /nfs/dbraw/zinc/52/13/51/721521351.db2.gz HXWADFCRAGWWGG-UHFFFAOYSA-N 1 0 403.962 2.526 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164794474 721523928 /nfs/dbraw/zinc/52/39/28/721523928.db2.gz DTMYILJUYIAZBM-HKBOAZHASA-N 1 0 410.518 2.830 20 0 HFADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ncc21 ZINC001164900684 721524465 /nfs/dbraw/zinc/52/44/65/721524465.db2.gz SYOQONIEYZQGEO-WMZOPIPTSA-N 1 0 422.460 2.897 20 0 HFADRO Cc1nc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2[nH]1 ZINC001164900307 721525331 /nfs/dbraw/zinc/52/53/31/721525331.db2.gz PZPADVBJMMMMPU-ZFWWWQNUSA-N 1 0 402.861 2.796 20 0 HFADRO Cc1nc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2[nH]1 ZINC001164900305 721525376 /nfs/dbraw/zinc/52/53/76/721525376.db2.gz PZPADVBJMMMMPU-HIFRSBDPSA-N 1 0 402.861 2.796 20 0 HFADRO COc1ccc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1 ZINC001164804595 721538844 /nfs/dbraw/zinc/53/88/44/721538844.db2.gz KQADMQPHTUAHJX-FSSWDIPSSA-N 1 0 405.502 2.902 20 0 HFADRO COc1ccc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1 ZINC001164804594 721539178 /nfs/dbraw/zinc/53/91/78/721539178.db2.gz KQADMQPHTUAHJX-FKBYEOEOSA-N 1 0 405.502 2.902 20 0 HFADRO CCOC(=O)c1ncnc(Cl)c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908162 721550085 /nfs/dbraw/zinc/55/00/85/721550085.db2.gz PICDRKCGAIBWLA-GDBMZVCRSA-N 1 0 420.872 2.788 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164801387 721568800 /nfs/dbraw/zinc/56/88/00/721568800.db2.gz GLZQBQDOKPRWCL-KCZVDYSFSA-N 1 0 423.561 2.873 20 0 HFADRO CNC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907304 721716379 /nfs/dbraw/zinc/71/63/79/721716379.db2.gz QOJBWVKLKAEAAN-FQEVSTJZSA-N 1 0 401.461 2.574 20 0 HFADRO COc1cccc(-c2ccnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n2)c1 ZINC001165011560 721741638 /nfs/dbraw/zinc/74/16/38/721741638.db2.gz YWYNQBCYFYRBRE-UHFFFAOYSA-N 1 0 409.534 2.675 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nccc(-c3ccc(N(C)C)cc3)n2)CC1 ZINC001165009937 721742760 /nfs/dbraw/zinc/74/27/60/721742760.db2.gz JYBDUGTXYRYSKT-UHFFFAOYSA-N 1 0 422.577 2.733 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c(Cl)nccc32)CC1 ZINC001165011302 721744330 /nfs/dbraw/zinc/74/43/30/721744330.db2.gz UZFWPSSLQKGTQS-UHFFFAOYSA-N 1 0 423.348 2.855 20 0 HFADRO O=C(c1ccco1)N1C[C@H]2CCCN(c3cccc(OCC[NH+]4CCCC4)n3)[C@@H]2C1 ZINC001165015047 721771472 /nfs/dbraw/zinc/77/14/72/721771472.db2.gz HNUPZQGOCKFOSF-RTBURBONSA-N 1 0 410.518 2.890 20 0 HFADRO C[N@H+](Cc1ccc(N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)nc1)C1CC1 ZINC001165022491 721782345 /nfs/dbraw/zinc/78/23/45/721782345.db2.gz RQCJSAUWLKHLTE-FUDKSRODSA-N 1 0 411.550 2.715 20 0 HFADRO COC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165022618 721816353 /nfs/dbraw/zinc/81/63/53/721816353.db2.gz GDRUXGCTHCELCX-ZYSHUDEJSA-N 1 0 420.517 2.876 20 0 HFADRO c1ccc(COC[C@@]23COC[C@H]2CN(c2cccc(OCC[NH+]4CCCC4)n2)C3)nc1 ZINC001164928179 721839681 /nfs/dbraw/zinc/83/96/81/721839681.db2.gz XCEPIPPREJCDIC-HYBUGGRVSA-N 1 0 424.545 2.621 20 0 HFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c2c1 ZINC001164921920 721876675 /nfs/dbraw/zinc/87/66/75/721876675.db2.gz DUFCNIDZVGXXHB-QZTJIDSGSA-N 1 0 417.941 2.675 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164930900 721876908 /nfs/dbraw/zinc/87/69/08/721876908.db2.gz DHLDOCLSHLOAQA-CVEARBPZSA-N 1 0 422.911 2.952 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc(C(=O)N2CCCCC2)cc1Cl ZINC001164935510 721881423 /nfs/dbraw/zinc/88/14/23/721881423.db2.gz XEBUJIBZTIRMAM-OALUTQOASA-N 1 0 405.974 2.576 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164931499 721882515 /nfs/dbraw/zinc/88/25/15/721882515.db2.gz FYQGWNAWPPAECK-JKSUJKDBSA-N 1 0 422.911 2.952 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@@H]([NH+](C)C)C3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165035231 721894371 /nfs/dbraw/zinc/89/43/71/721894371.db2.gz LWJGVKHOEHZSQQ-ARFHVFGLSA-N 1 0 422.524 2.756 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@H]([NH+](C)C)C3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001165035238 721894493 /nfs/dbraw/zinc/89/44/93/721894493.db2.gz LWJGVKHOEHZSQQ-OWCLPIDISA-N 1 0 422.524 2.756 20 0 HFADRO C[NH+](C)[C@@H]1CCCN(c2cc3c(ncnc3Cl)n2S(=O)(=O)c2ccccc2)C1 ZINC001165035894 721894537 /nfs/dbraw/zinc/89/45/37/721894537.db2.gz PPQZYOKABLDREU-CQSZACIVSA-N 1 0 419.938 2.852 20 0 HFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1C ZINC000015130021 721917202 /nfs/dbraw/zinc/91/72/02/721917202.db2.gz RSYZXWWKPXDMMM-OAHLLOKOSA-N 1 0 404.536 2.786 20 0 HFADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]12 ZINC001164947333 721966931 /nfs/dbraw/zinc/96/69/31/721966931.db2.gz QKODODGLZUVAFT-WIOPSUGQSA-N 1 0 419.573 2.602 20 0 HFADRO CC[NH+](CC)C1CCN(c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)CC1 ZINC001165052753 722002104 /nfs/dbraw/zinc/00/21/04/722002104.db2.gz DUOVUTSZNDNUIT-UHFFFAOYSA-N 1 0 413.547 2.979 20 0 HFADRO CC[NH+](CC)C1CCN(c2ncc3ccn(S(=O)(=O)c4ccccc4)c3n2)CC1 ZINC001165054075 722005320 /nfs/dbraw/zinc/00/53/20/722005320.db2.gz YRLMMRBGPXFFJY-UHFFFAOYSA-N 1 0 413.547 2.979 20 0 HFADRO COC(=O)c1nc(Cl)cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951589 722018454 /nfs/dbraw/zinc/01/84/54/722018454.db2.gz BHBDFKLJDTVRAL-UHFFFAOYSA-N 1 0 401.898 2.804 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001164960848 722046037 /nfs/dbraw/zinc/04/60/37/722046037.db2.gz XXKOXLPBIUFZGC-INIZCTEOSA-N 1 0 407.942 2.700 20 0 HFADRO Fc1cc2c(cn1)ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964229 722054281 /nfs/dbraw/zinc/05/42/81/722054281.db2.gz TVEHNHOMSXZRMN-UHFFFAOYSA-N 1 0 408.481 2.678 20 0 HFADRO COC(=O)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1C ZINC001164963843 722057315 /nfs/dbraw/zinc/05/73/15/722057315.db2.gz NMWMKDFSQMRYNN-UHFFFAOYSA-N 1 0 410.518 2.691 20 0 HFADRO Nc1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960030 722058489 /nfs/dbraw/zinc/05/84/89/722058489.db2.gz DJAUZIXIGRUSBE-UHFFFAOYSA-N 1 0 405.905 2.970 20 0 HFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1 ZINC001164966999 722074935 /nfs/dbraw/zinc/07/49/35/722074935.db2.gz IUPJXOWVBASEHU-IYBDPMFKSA-N 1 0 416.909 2.759 20 0 HFADRO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983369 722098755 /nfs/dbraw/zinc/09/87/55/722098755.db2.gz PQSRZOJAVWISHN-CVEARBPZSA-N 1 0 409.868 2.797 20 0 HFADRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986226 722098969 /nfs/dbraw/zinc/09/89/69/722098969.db2.gz YLZKCBYQBJTRAY-NHCUHLMSSA-N 1 0 408.550 2.729 20 0 HFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983174 722109609 /nfs/dbraw/zinc/10/96/09/722109609.db2.gz YKNXANYCPDLHQO-AEFFLSMTSA-N 1 0 412.925 2.744 20 0 HFADRO CCOc1nc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981875 722109674 /nfs/dbraw/zinc/10/96/74/722109674.db2.gz VJYVAMXMZDSFPJ-DLBZAZTESA-N 1 0 403.914 2.651 20 0 HFADRO COC(=O)c1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164983135 722115725 /nfs/dbraw/zinc/11/57/25/722115725.db2.gz YJNIHHSTUOJBCB-FUHWJXTLSA-N 1 0 416.909 2.644 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973308 722117015 /nfs/dbraw/zinc/11/70/15/722117015.db2.gz GZOIQFXOOPRKLX-NVXWUHKLSA-N 1 0 405.955 2.974 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C ZINC001164972490 722122628 /nfs/dbraw/zinc/12/26/28/722122628.db2.gz FRYLJFQSSPPORB-FPOVZHCZSA-N 1 0 410.518 2.689 20 0 HFADRO COC(=O)c1ccc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974892 722123816 /nfs/dbraw/zinc/12/38/16/722123816.db2.gz ITWBOZIIDIIWSB-VQIMIIECSA-N 1 0 416.909 2.644 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973279 722138285 /nfs/dbraw/zinc/13/82/85/722138285.db2.gz BQRYRLJOACXHCS-NHCUHLMSSA-N 1 0 408.550 2.589 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164973283 722138325 /nfs/dbraw/zinc/13/83/25/722138325.db2.gz BQRYRLJOACXHCS-RTWAWAEBSA-N 1 0 408.550 2.589 20 0 HFADRO CC(C)n1cnc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164984581 722142139 /nfs/dbraw/zinc/14/21/39/722142139.db2.gz XEXKNKJOAVYVLG-QUCCMNQESA-N 1 0 407.522 2.530 20 0 HFADRO COc1cccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981707 722143085 /nfs/dbraw/zinc/14/30/85/722143085.db2.gz PZXITJWJEXQBAR-WIYYLYMNSA-N 1 0 405.502 2.761 20 0 HFADRO Cc1noc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164982671 722144878 /nfs/dbraw/zinc/14/48/78/722144878.db2.gz RYCDOIQDYDIRNZ-PMACEKPBSA-N 1 0 406.490 2.562 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@@H]3C2)c1 ZINC001164972538 722148174 /nfs/dbraw/zinc/14/81/74/722148174.db2.gz ABIUBDYOBKOPAU-IRLDBZIGSA-N 1 0 402.502 2.661 20 0 HFADRO O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ccc(C[NH+]3CCCC3)cn1)CCO2 ZINC001165000400 722249629 /nfs/dbraw/zinc/24/96/29/722249629.db2.gz HUDXEMAZRWDZIX-HSZRJFAPSA-N 1 0 410.518 2.782 20 0 HFADRO O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ncccc1C[NH+]1CCCC1)CCO2 ZINC001164999760 722250141 /nfs/dbraw/zinc/25/01/41/722250141.db2.gz BNQQWJWIKKLYDJ-QHCPKHFHSA-N 1 0 410.518 2.782 20 0 HFADRO COc1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c(C)nc2c1 ZINC001165004626 722257065 /nfs/dbraw/zinc/25/70/65/722257065.db2.gz UFZVXKPOYBVEHE-UHFFFAOYSA-N 1 0 410.522 2.632 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cncc(N3CCCCCC3)n1)CCC2 ZINC001165003482 722257344 /nfs/dbraw/zinc/25/73/44/722257344.db2.gz DZNBKYVLXCGTOS-UHFFFAOYSA-N 1 0 413.570 2.542 20 0 HFADRO CSc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(SC)n1 ZINC001165003647 722257904 /nfs/dbraw/zinc/25/79/04/722257904.db2.gz FWQBZQPUGOBFQZ-UHFFFAOYSA-N 1 0 408.597 2.605 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000790498710 1078043862 /nfs/dbraw/zinc/04/38/62/1078043862.db2.gz WMZTUJKHRDSYGQ-QFIPXVFZSA-N 1 0 422.529 2.963 20 0 HFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC/C=C/CNC(=O)OC(C)(C)C ZINC000790464328 1078044585 /nfs/dbraw/zinc/04/45/85/1078044585.db2.gz SVRPATUMUCNJEL-VOTSOKGWSA-N 1 0 417.554 2.949 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)nc1Br ZINC000793001195 1078045196 /nfs/dbraw/zinc/04/51/96/1078045196.db2.gz HGXQJBHWDHLRHS-UHFFFAOYSA-N 1 0 409.328 2.614 20 0 HFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(F)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000793014290 1078048982 /nfs/dbraw/zinc/04/89/82/1078048982.db2.gz MKTXJXQWXPFQOU-SJKOYZFVSA-N 1 0 408.836 2.761 20 0 HFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(F)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000793014293 1078049023 /nfs/dbraw/zinc/04/90/23/1078049023.db2.gz MKTXJXQWXPFQOU-YVEFUNNKSA-N 1 0 408.836 2.761 20 0 HFADRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)Nc1cccc(Cl)n1 ZINC000793017032 1078050520 /nfs/dbraw/zinc/05/05/20/1078050520.db2.gz WVWVWXXLVDFBAK-UHFFFAOYSA-N 1 0 416.909 2.507 20 0 HFADRO C[C@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000793018373 1078050721 /nfs/dbraw/zinc/05/07/21/1078050721.db2.gz DGHHLYNYQXPCTO-STQMWFEESA-N 1 0 409.328 2.552 20 0 HFADRO C[C@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000793045172 1078055202 /nfs/dbraw/zinc/05/52/02/1078055202.db2.gz WPRSHEKTUULJQA-ICSRJNTNSA-N 1 0 414.550 2.985 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790574171 1078056121 /nfs/dbraw/zinc/05/61/21/1078056121.db2.gz CCWBMZCEFXIMIU-SFHVURJKSA-N 1 0 413.559 2.705 20 0 HFADRO C[NH+](C)CCCOc1cccc(NC(=O)C(=O)Nc2cccc(Br)n2)c1 ZINC000793051998 1078057057 /nfs/dbraw/zinc/05/70/57/1078057057.db2.gz UXDYMQBFMBATHR-UHFFFAOYSA-N 1 0 421.295 2.752 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001170424452 1078058494 /nfs/dbraw/zinc/05/84/94/1078058494.db2.gz KYQDQPOJMASBEM-LJQANCHMSA-N 1 0 416.543 2.911 20 0 HFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H]1C ZINC000793026096 1078059023 /nfs/dbraw/zinc/05/90/23/1078059023.db2.gz FRVZLBVYZSXHLU-WWGRRREGSA-N 1 0 423.453 2.926 20 0 HFADRO O=C1CN([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)c2ccccc2N1 ZINC000793074752 1078062994 /nfs/dbraw/zinc/06/29/94/1078062994.db2.gz LFSDFTJIVDQGHI-KRWDZBQOSA-N 1 0 408.893 2.954 20 0 HFADRO COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000790584515 1078062087 /nfs/dbraw/zinc/06/20/87/1078062087.db2.gz SLIQIWVRWKTBNA-OALUTQOASA-N 1 0 405.539 2.555 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC000790598988 1078063931 /nfs/dbraw/zinc/06/39/31/1078063931.db2.gz GDGBPGCWHVEXRZ-QGZVFWFLSA-N 1 0 418.488 2.689 20 0 HFADRO Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccccc3N3CC[NH+](C)CC3)C2=O)cc1 ZINC000790606059 1078065817 /nfs/dbraw/zinc/06/58/17/1078065817.db2.gz XWDQRIVRYILLNU-NRFANRHFSA-N 1 0 421.545 2.669 20 0 HFADRO COCC1(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793059796 1078068875 /nfs/dbraw/zinc/06/88/75/1078068875.db2.gz QGJZERLRBVEDDE-ZWKOTPCHSA-N 1 0 411.587 2.887 20 0 HFADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]CCC1(O)CCC1 ZINC000790637981 1078072053 /nfs/dbraw/zinc/07/20/53/1078072053.db2.gz PACQHLHXJTUACT-UHFFFAOYSA-N 1 0 422.410 2.981 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)C1=O ZINC000790607727 1078074112 /nfs/dbraw/zinc/07/41/12/1078074112.db2.gz JVAZIYUNGJGAHO-HSZRJFAPSA-N 1 0 416.485 2.782 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 ZINC000790618246 1078077826 /nfs/dbraw/zinc/07/78/26/1078077826.db2.gz HZAIWUULVHYLQG-NRFANRHFSA-N 1 0 402.560 2.925 20 0 HFADRO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772827112 1078084560 /nfs/dbraw/zinc/08/45/60/1078084560.db2.gz HBZRSNWXUCULGY-OPJGWUQDSA-N 1 0 422.573 2.849 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153498 1078091732 /nfs/dbraw/zinc/09/17/32/1078091732.db2.gz KDFWXEPFFODHNU-APWZRJJASA-N 1 0 402.926 2.759 20 0 HFADRO COC(=O)[C@H](COCc1ccccc1)Nc1cccc2cc([C@@H]3C[NH2+]CCO3)cn21 ZINC001170142022 1078087160 /nfs/dbraw/zinc/08/71/60/1078087160.db2.gz PDEFCJIHOJNKPX-SFTDATJTSA-N 1 0 409.486 2.771 20 0 HFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790641712 1078090186 /nfs/dbraw/zinc/09/01/86/1078090186.db2.gz ADNOHFSTNGYDPP-PKOBYXMFSA-N 1 0 418.419 2.984 20 0 HFADRO O=C1C(=O)N(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000772828642 1078093917 /nfs/dbraw/zinc/09/39/17/1078093917.db2.gz NZWIDKPKCTVIGN-QUCCMNQESA-N 1 0 414.550 2.574 20 0 HFADRO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000790704071 1078100867 /nfs/dbraw/zinc/10/08/67/1078100867.db2.gz YFTFGNWDNBNLME-IBGZPJMESA-N 1 0 402.539 2.930 20 0 HFADRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000790718072 1078107174 /nfs/dbraw/zinc/10/71/74/1078107174.db2.gz MXHAIPOGGQATOJ-ILZDJORESA-N 1 0 409.538 2.765 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000793212025 1078107781 /nfs/dbraw/zinc/10/77/81/1078107781.db2.gz DFDZCJCPQHVPME-SFHVURJKSA-N 1 0 402.926 2.761 20 0 HFADRO COCC1(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793273707 1078116005 /nfs/dbraw/zinc/11/60/05/1078116005.db2.gz QGFBMUXUTOXQIW-GOSISDBHSA-N 1 0 411.587 2.887 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000793292104 1078120082 /nfs/dbraw/zinc/12/00/82/1078120082.db2.gz YNUOGYCGTKCWAY-CVEARBPZSA-N 1 0 400.425 2.789 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793311093 1078125068 /nfs/dbraw/zinc/12/50/68/1078125068.db2.gz FIGRPNWUMJSGQC-UHFFFAOYSA-N 1 0 411.587 2.888 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(OC(=O)Cn2ccc3ccccc3c2=O)cc1 ZINC000790777909 1078131597 /nfs/dbraw/zinc/13/15/97/1078131597.db2.gz KMKVKGNJSCGCLS-UHFFFAOYSA-N 1 0 421.497 2.679 20 0 HFADRO CSC1(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC[NH+](C)CC1 ZINC000793358842 1078146590 /nfs/dbraw/zinc/14/65/90/1078146590.db2.gz RGHISSPIOPCBHV-CYVLTUHYSA-N 1 0 413.543 2.994 20 0 HFADRO CSC1(CNC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000793359626 1078147212 /nfs/dbraw/zinc/14/72/12/1078147212.db2.gz UUVKZQUIULFCJV-GJZGRUSLSA-N 1 0 415.600 2.691 20 0 HFADRO COCC1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793360150 1078147760 /nfs/dbraw/zinc/14/77/60/1078147760.db2.gz QWQFTKRSGYDGJM-UHFFFAOYSA-N 1 0 415.494 2.870 20 0 HFADRO CC1=CC[N@H+](CCNC(=O)c2nc(Br)ccc2Br)CC1 ZINC000790894332 1078174445 /nfs/dbraw/zinc/17/44/45/1078174445.db2.gz XUZOHIHRRVGMGH-UHFFFAOYSA-N 1 0 403.118 2.988 20 0 HFADRO COc1ccc(NC(=O)[C@H]2CCCN2C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790896545 1078175497 /nfs/dbraw/zinc/17/54/97/1078175497.db2.gz QJTXRCNLIPPJCM-RTBURBONSA-N 1 0 402.539 2.928 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCC(=O)OCc3ccccc3)cc2)CC1 ZINC000790920679 1078183652 /nfs/dbraw/zinc/18/36/52/1078183652.db2.gz JDSOEAZJEKYMPZ-UHFFFAOYSA-N 1 0 411.502 2.702 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C2CCN(C(=O)OCC(C)C)CC2)cc1 ZINC000793513350 1078196429 /nfs/dbraw/zinc/19/64/29/1078196429.db2.gz BJCLFILXRSIHQX-HXUWFJFHSA-N 1 0 405.539 2.919 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793514751 1078196681 /nfs/dbraw/zinc/19/66/81/1078196681.db2.gz MDLNLUPTTGKCFN-YSIASYRMSA-N 1 0 410.518 2.569 20 0 HFADRO CCOC(=O)[C@]1(COC)CCCN(CN2CC[C@@H](CCc3ccccc3)C2=O)C1 ZINC000793515493 1078197090 /nfs/dbraw/zinc/19/70/90/1078197090.db2.gz KAYSFHTZOZSIQR-NFBKMPQASA-N 1 0 402.535 2.717 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000793516855 1078197392 /nfs/dbraw/zinc/19/73/92/1078197392.db2.gz JCLKZTWADWWVTD-LAUBAEHRSA-N 1 0 409.502 2.763 20 0 HFADRO CC[NH+](CC)CCCCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793493118 1078201036 /nfs/dbraw/zinc/20/10/36/1078201036.db2.gz KOFZOBZUYITDJE-PMACEKPBSA-N 1 0 412.534 2.817 20 0 HFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000793583565 1078214912 /nfs/dbraw/zinc/21/49/12/1078214912.db2.gz GCJSXPFLYSOLHL-KRWDZBQOSA-N 1 0 419.570 2.627 20 0 HFADRO CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793603592 1078222123 /nfs/dbraw/zinc/22/21/23/1078222123.db2.gz CEQDRWAVURFOTE-HSZRJFAPSA-N 1 0 417.550 2.987 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000793609485 1078227460 /nfs/dbraw/zinc/22/74/60/1078227460.db2.gz KUUVBHSXAUOQIP-DHIUTWEWSA-N 1 0 423.557 2.656 20 0 HFADRO CCN(C(=O)C(=O)N[C@H](C)COc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793684927 1078255442 /nfs/dbraw/zinc/25/54/42/1078255442.db2.gz FPOPVRLBPLNPGJ-CTNGQTDRSA-N 1 0 409.530 2.693 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000793687806 1078256857 /nfs/dbraw/zinc/25/68/57/1078256857.db2.gz WGINECDZVLRRHP-SQNIBIBYSA-N 1 0 409.571 2.516 20 0 HFADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793710801 1078260626 /nfs/dbraw/zinc/26/06/26/1078260626.db2.gz UMFZLRUXWIGZEH-YLJYHZDGSA-N 1 0 411.550 2.710 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)[NH+]1CCCCC1 ZINC000793713415 1078261212 /nfs/dbraw/zinc/26/12/12/1078261212.db2.gz KXGXJMZJPOLMQW-GOSISDBHSA-N 1 0 419.529 2.632 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1OC(F)(F)F)[NH+]1CCCCC1 ZINC000793715388 1078262097 /nfs/dbraw/zinc/26/20/97/1078262097.db2.gz UIRTXKDTJKLKEO-CQSZACIVSA-N 1 0 401.429 2.534 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000793714577 1078262733 /nfs/dbraw/zinc/26/27/33/1078262733.db2.gz PRPKCAUTHJUTQX-DVECYGJZSA-N 1 0 409.530 2.599 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000793718401 1078263855 /nfs/dbraw/zinc/26/38/55/1078263855.db2.gz JJQZPUZNGJJVJZ-PKTZIBPZSA-N 1 0 423.557 2.686 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)CCC2 ZINC000793718761 1078264568 /nfs/dbraw/zinc/26/45/68/1078264568.db2.gz KFTLTUKHZRCSPE-ZWKOTPCHSA-N 1 0 400.548 2.673 20 0 HFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000793719990 1078264923 /nfs/dbraw/zinc/26/49/23/1078264923.db2.gz SPJWEXDVXOJIKV-QFIPXVFZSA-N 1 0 411.521 2.821 20 0 HFADRO C[C@@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1nc2ccccc2s1 ZINC000793721624 1078266118 /nfs/dbraw/zinc/26/61/18/1078266118.db2.gz YXGSWVNSMPMFOS-NVXWUHKLSA-N 1 0 410.543 2.763 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCN(c3ccc(C)cc3)CC2)[NH+](C)C)cc1 ZINC000793723378 1078266447 /nfs/dbraw/zinc/26/64/47/1078266447.db2.gz WPYNXDCTJLEOKH-HSZRJFAPSA-N 1 0 422.573 2.761 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000747145906 1078266768 /nfs/dbraw/zinc/26/67/68/1078266768.db2.gz LZUFHPDPTIHNRJ-HFTRVMKXSA-N 1 0 407.511 2.628 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793694649 1078271240 /nfs/dbraw/zinc/27/12/40/1078271240.db2.gz MJFSSGJVWOESJO-FPOVZHCZSA-N 1 0 409.530 2.693 20 0 HFADRO COc1cccc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c1OC1CCCC1 ZINC000793703299 1078274913 /nfs/dbraw/zinc/27/49/13/1078274913.db2.gz UBKAEGLPZRNZTJ-KRWDZBQOSA-N 1 0 417.550 2.623 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1ccnc(Oc2ccccc2F)c1)[NH+]1CCCCC1 ZINC000793703312 1078275026 /nfs/dbraw/zinc/27/50/26/1078275026.db2.gz ULKDZNKKZJTDQB-MRXNPFEDSA-N 1 0 414.481 2.620 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)[NH+]1CCCCC1 ZINC000793703727 1078275337 /nfs/dbraw/zinc/27/53/37/1078275337.db2.gz WLJDASJVGYQAMM-HNNXBMFYSA-N 1 0 411.468 2.844 20 0 HFADRO Cc1ccc(CCNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000793759806 1078280305 /nfs/dbraw/zinc/28/03/05/1078280305.db2.gz DIVJYGYOAJSHBP-RUZDIDTESA-N 1 0 407.558 2.991 20 0 HFADRO CC(C)(C)OC(=O)c1cccc(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000793740760 1078287143 /nfs/dbraw/zinc/28/71/43/1078287143.db2.gz HNXKPPBGKMOZEH-UHFFFAOYSA-N 1 0 417.550 2.637 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000793746317 1078288861 /nfs/dbraw/zinc/28/88/61/1078288861.db2.gz HRBDBIUPPULHGI-GOTSBHOMSA-N 1 0 423.557 2.991 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000793807755 1078306312 /nfs/dbraw/zinc/30/63/12/1078306312.db2.gz SOWXYWSVLRHCOA-MGPUTAFESA-N 1 0 421.476 2.941 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000793808428 1078305998 /nfs/dbraw/zinc/30/59/98/1078305998.db2.gz VAXXTDMZPOOHCU-UHFFFAOYSA-N 1 0 423.904 2.693 20 0 HFADRO Cc1cccc(OC[C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000793798001 1078301471 /nfs/dbraw/zinc/30/14/71/1078301471.db2.gz HVUOENQAZIAPDE-NBGIEHNGSA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000793779490 1078309344 /nfs/dbraw/zinc/30/93/44/1078309344.db2.gz AZLDNAAPUKLFBH-SFTDATJTSA-N 1 0 415.578 2.849 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000793840058 1078311532 /nfs/dbraw/zinc/31/15/32/1078311532.db2.gz XOQOIWPPPAAJKB-UHFFFAOYSA-N 1 0 406.568 2.841 20 0 HFADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCc2c(F)cccc2C1 ZINC000793844139 1078312758 /nfs/dbraw/zinc/31/27/58/1078312758.db2.gz WJBQMHJALBHTIN-IBGZPJMESA-N 1 0 409.505 2.739 20 0 HFADRO CN(CCc1ccccc1F)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793845391 1078313014 /nfs/dbraw/zinc/31/30/14/1078313014.db2.gz ZRIBTYGSADWMEM-HXUWFJFHSA-N 1 0 411.521 2.855 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NOCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149011 1078318344 /nfs/dbraw/zinc/31/83/44/1078318344.db2.gz FBVMRUFDRLMZBZ-WBVHZDCISA-N 1 0 413.440 2.586 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001170438996 1078327158 /nfs/dbraw/zinc/32/71/58/1078327158.db2.gz XDVCQVOZHQZCAY-MRXNPFEDSA-N 1 0 407.474 2.867 20 0 HFADRO C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793873909 1078330844 /nfs/dbraw/zinc/33/08/44/1078330844.db2.gz DJEQQBLRRGXYCR-SQNIBIBYSA-N 1 0 411.587 2.573 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)C1 ZINC000793874880 1078331289 /nfs/dbraw/zinc/33/12/89/1078331289.db2.gz OUDWQOJGQKXFHX-ZIFCJYIRSA-N 1 0 405.539 2.556 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)C1 ZINC000793909258 1078335064 /nfs/dbraw/zinc/33/50/64/1078335064.db2.gz MTEYWEAXRRMGHP-NWKXHEKXSA-N 1 0 415.578 2.560 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CCC2 ZINC000793910383 1078335541 /nfs/dbraw/zinc/33/55/41/1078335541.db2.gz JRGJJQAPHXAYKP-SJLPKXTDSA-N 1 0 403.571 2.584 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000793914036 1078336877 /nfs/dbraw/zinc/33/68/77/1078336877.db2.gz SMPXBFBJRLPDKP-QZTJIDSGSA-N 1 0 402.583 2.632 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000793932439 1078341826 /nfs/dbraw/zinc/34/18/26/1078341826.db2.gz UANZSGKKTGMLAK-PTUXOGIPSA-N 1 0 423.557 2.829 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000793950643 1078344785 /nfs/dbraw/zinc/34/47/85/1078344785.db2.gz OZKFEACYBWWTHJ-MJGOQNOKSA-N 1 0 409.615 2.961 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001170441664 1078356174 /nfs/dbraw/zinc/35/61/74/1078356174.db2.gz IUXGZPKLNQDAIC-ZGXWSNOMSA-N 1 0 416.518 2.627 20 0 HFADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)c1 ZINC000794050873 1078366181 /nfs/dbraw/zinc/36/61/81/1078366181.db2.gz JIJRZMSWMNFDTD-INIZCTEOSA-N 1 0 406.479 2.684 20 0 HFADRO CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000747173859 1078368384 /nfs/dbraw/zinc/36/83/84/1078368384.db2.gz WSAUPJLJSQNXTJ-UHFFFAOYSA-N 1 0 401.960 2.538 20 0 HFADRO O=C(NCC[N@H+]1CC=CCC1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC000794116190 1078374280 /nfs/dbraw/zinc/37/42/80/1078374280.db2.gz RWJMXMSIFHDUIM-MNDPQUGUSA-N 1 0 406.515 2.778 20 0 HFADRO CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000794146921 1078377993 /nfs/dbraw/zinc/37/79/93/1078377993.db2.gz KHFPBVFEQYVERK-ICSRJNTNSA-N 1 0 415.534 2.892 20 0 HFADRO CS(=O)(=O)c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1Br ZINC000794206343 1078378495 /nfs/dbraw/zinc/37/84/95/1078378495.db2.gz NZQIZEPBURYJSM-UHFFFAOYSA-N 1 0 415.353 2.599 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CCOC[C@H]2NC(=O)N(C)C)CC1 ZINC001170443802 1078381176 /nfs/dbraw/zinc/38/11/76/1078381176.db2.gz QAJNQAIEALDOCT-WIYYLYMNSA-N 1 0 417.550 2.879 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000794339439 1078419528 /nfs/dbraw/zinc/41/95/28/1078419528.db2.gz NRBHVMXQHKFKFY-UHFFFAOYSA-N 1 0 408.502 2.565 20 0 HFADRO C[C@@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000794411866 1078433426 /nfs/dbraw/zinc/43/34/26/1078433426.db2.gz OLCJBXRSSYZUSB-HUUCEWRRSA-N 1 0 407.461 2.774 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(C[C@H]1CCC[NH2+]1)S(=O)(=O)C(F)(F)F ZINC001170448744 1078459955 /nfs/dbraw/zinc/45/99/55/1078459955.db2.gz BJBVQQCAAIGOFK-ZIAGYGMSSA-N 1 0 408.442 2.640 20 0 HFADRO CC(C)Cc1ncnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1I ZINC000804396542 1078461632 /nfs/dbraw/zinc/46/16/32/1078461632.db2.gz JOIJKYYDCLHADK-OLZOCXBDSA-N 1 0 416.307 2.555 20 0 HFADRO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000804429723 1078475252 /nfs/dbraw/zinc/47/52/52/1078475252.db2.gz NQJZXBRTKZLYLG-XXBNENTESA-N 1 0 423.557 2.656 20 0 HFADRO Cc1cccc(Oc2ccc(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)nc2)c1 ZINC001129458730 1078485186 /nfs/dbraw/zinc/48/51/86/1078485186.db2.gz SLYJDRXEBKIGRP-UHFFFAOYSA-N 1 0 410.518 2.904 20 0 HFADRO CCc1cc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)ccc1Br ZINC001129458882 1078485202 /nfs/dbraw/zinc/48/52/02/1078485202.db2.gz VSCNLBAMAKLMTC-UHFFFAOYSA-N 1 0 410.356 2.734 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC001129807422 1078504722 /nfs/dbraw/zinc/50/47/22/1078504722.db2.gz BCEUGANCTZWQGO-CEXWTWQISA-N 1 0 420.395 2.867 20 0 HFADRO O=C(N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)c1nccs1 ZINC000804448135 1078514198 /nfs/dbraw/zinc/51/41/98/1078514198.db2.gz LTCMLBDPGUCGMV-KRWDZBQOSA-N 1 0 406.502 2.654 20 0 HFADRO C[C@](O)(CC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000804447532 1078515155 /nfs/dbraw/zinc/51/51/55/1078515155.db2.gz FMIUSTNKJPPLMU-NOZRDPDXSA-N 1 0 407.558 2.703 20 0 HFADRO COC(=O)Nc1ccccc1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804449358 1078515185 /nfs/dbraw/zinc/51/51/85/1078515185.db2.gz WRLBUKAOODQGPY-FQEVSTJZSA-N 1 0 422.529 2.897 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000804443189 1078507991 /nfs/dbraw/zinc/50/79/91/1078507991.db2.gz UYTRXZBGUOZTNG-UHFFFAOYSA-N 1 0 422.533 2.788 20 0 HFADRO C[NH+](C)CC(C)(C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC001129489827 1078509708 /nfs/dbraw/zinc/50/97/08/1078509708.db2.gz GKLHDKOALHLCHJ-AWEZNQCLSA-N 1 0 415.321 2.655 20 0 HFADRO O=C(c1ccnc(Cl)c1F)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446880 1078512733 /nfs/dbraw/zinc/51/27/33/1078512733.db2.gz QAVYZDTXQGXVOQ-KRWDZBQOSA-N 1 0 402.901 2.906 20 0 HFADRO CNC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001129512828 1078526602 /nfs/dbraw/zinc/52/66/02/1078526602.db2.gz KTBGROBGHMZAGE-AQNXPRMDSA-N 1 0 405.608 2.765 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000804697162 1078538982 /nfs/dbraw/zinc/53/89/82/1078538982.db2.gz WKPULSNDVWEYGG-QGZVFWFLSA-N 1 0 411.546 2.776 20 0 HFADRO C[C@@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CCNC(=O)C1 ZINC001129564792 1078558554 /nfs/dbraw/zinc/55/85/54/1078558554.db2.gz ZKGOUKVUXRTVBK-YZUZCNPQSA-N 1 0 409.505 2.826 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000804524451 1078562935 /nfs/dbraw/zinc/56/29/35/1078562935.db2.gz QNDFGHAOXRTHEP-GDBMZVCRSA-N 1 0 411.955 2.579 20 0 HFADRO COCC1(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804525727 1078565322 /nfs/dbraw/zinc/56/53/22/1078565322.db2.gz CIMHOTHVAVGGLT-ROUUACIJSA-N 1 0 409.571 2.735 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000804527708 1078566533 /nfs/dbraw/zinc/56/65/33/1078566533.db2.gz RTYWOORCLASBFK-AEFFLSMTSA-N 1 0 420.517 2.539 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC(=O)c4ccccc43)cc2)CC1 ZINC001129873303 1078570065 /nfs/dbraw/zinc/57/00/65/1078570065.db2.gz YKYZHCDMFNYOKJ-JOCHJYFZSA-N 1 0 419.525 2.760 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804533996 1078571498 /nfs/dbraw/zinc/57/14/98/1078571498.db2.gz LGMHKXRJQRWYGR-QHCPKHFHSA-N 1 0 417.550 2.652 20 0 HFADRO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C[NH+](C)C)c1 ZINC001129601741 1078574656 /nfs/dbraw/zinc/57/46/56/1078574656.db2.gz XODOLCRGUXXDNV-UHFFFAOYSA-N 1 0 403.548 2.972 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC001129584354 1078583031 /nfs/dbraw/zinc/58/30/31/1078583031.db2.gz BNSPDJFZMIUHMN-UHFFFAOYSA-N 1 0 423.604 2.981 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)/C(=C\c1ccc(F)cc1)n1nnnc1C ZINC000804566064 1078601453 /nfs/dbraw/zinc/60/14/53/1078601453.db2.gz IUJANLCUIARTOL-CAPFRKAQSA-N 1 0 400.502 2.843 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ncc(I)n2c1 ZINC000804778814 1078604176 /nfs/dbraw/zinc/60/41/76/1078604176.db2.gz GNPCOBIEZAHYJI-ZDUSSCGKSA-N 1 0 412.275 2.543 20 0 HFADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804761744 1078610683 /nfs/dbraw/zinc/61/06/83/1078610683.db2.gz MKBIWBDZENKDIJ-HXUWFJFHSA-N 1 0 416.566 2.515 20 0 HFADRO COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC001129949693 1078624967 /nfs/dbraw/zinc/62/49/67/1078624967.db2.gz AKDQJCRVHVZTNN-ZDUSSCGKSA-N 1 0 412.556 2.778 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1ncnc2c1cnn2C(C)(C)C ZINC000804787908 1078644297 /nfs/dbraw/zinc/64/42/97/1078644297.db2.gz SVPRXCTTWBIQTI-UHFFFAOYSA-N 1 0 407.566 2.835 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000804830304 1078670787 /nfs/dbraw/zinc/67/07/87/1078670787.db2.gz WTFRSRFKZRZHIF-UHFFFAOYSA-N 1 0 414.594 2.918 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(C)C(=O)OC(C)(C)C ZINC001129971191 1078665263 /nfs/dbraw/zinc/66/52/63/1078665263.db2.gz XNWGWNLYJIAJHD-RTBURBONSA-N 1 0 405.539 2.507 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000804828182 1078668225 /nfs/dbraw/zinc/66/82/25/1078668225.db2.gz KKDVVDWSXUCYGP-VWLOTQADSA-N 1 0 422.573 2.787 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000804829193 1078669746 /nfs/dbraw/zinc/66/97/46/1078669746.db2.gz NGISLRQPZBQORI-HXUWFJFHSA-N 1 0 400.567 2.672 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000804831346 1078671747 /nfs/dbraw/zinc/67/17/47/1078671747.db2.gz JSUMCDMTXHEWNI-UHFFFAOYSA-N 1 0 414.594 2.874 20 0 HFADRO C[NH+]1CCC(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)(N2CCOCC2)CC1 ZINC001129719834 1078672262 /nfs/dbraw/zinc/67/22/62/1078672262.db2.gz ICPSUQCUAXDWBH-UHFFFAOYSA-N 1 0 419.875 2.885 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC001129742651 1078714862 /nfs/dbraw/zinc/71/48/62/1078714862.db2.gz NJLSUUUPKJWOOE-VXKWHMMOSA-N 1 0 409.505 2.943 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000804890357 1078748506 /nfs/dbraw/zinc/74/85/06/1078748506.db2.gz OQASHOAEFCHMBK-ACGJQVIASA-N 1 0 415.921 2.506 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000804890362 1078748961 /nfs/dbraw/zinc/74/89/61/1078748961.db2.gz OQASHOAEFCHMBK-SUJSUNJESA-N 1 0 415.921 2.506 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000747222618 1078748969 /nfs/dbraw/zinc/74/89/69/1078748969.db2.gz GNUVEFAZAQCGQC-UHFFFAOYSA-N 1 0 403.552 2.577 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000804893416 1078751363 /nfs/dbraw/zinc/75/13/63/1078751363.db2.gz CCKRCGOTFHODGR-GOSISDBHSA-N 1 0 401.429 2.646 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000804952875 1078779815 /nfs/dbraw/zinc/77/98/15/1078779815.db2.gz XWDFEOOPTUYZNB-QHCPKHFHSA-N 1 0 410.562 2.794 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000804926681 1078782657 /nfs/dbraw/zinc/78/26/57/1078782657.db2.gz NKSMDZFWIYYMFT-WOJBJXKFSA-N 1 0 402.539 2.809 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)Cc1ccccc1 ZINC000805019013 1078829536 /nfs/dbraw/zinc/82/95/36/1078829536.db2.gz BQBVRAAVRYIOTO-FQEVSTJZSA-N 1 0 404.555 2.717 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000805100043 1078885953 /nfs/dbraw/zinc/88/59/53/1078885953.db2.gz RCFTZVRQLXOJMK-DYESRHJHSA-N 1 0 412.575 2.576 20 0 HFADRO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000805074725 1078906611 /nfs/dbraw/zinc/90/66/11/1078906611.db2.gz OIEOUVMXCSMGSF-RDJZCZTQSA-N 1 0 401.429 2.632 20 0 HFADRO O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000805075254 1078907405 /nfs/dbraw/zinc/90/74/05/1078907405.db2.gz VNCJEXQFSHMMLS-AQNXPRMDSA-N 1 0 407.942 2.970 20 0 HFADRO O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000805131207 1078930491 /nfs/dbraw/zinc/93/04/91/1078930491.db2.gz GLOBVWHVEXAXQA-RDTXWAMCSA-N 1 0 415.456 2.539 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000805136786 1078934124 /nfs/dbraw/zinc/93/41/24/1078934124.db2.gz JCOCNIDXRVUJIA-XMSQKQJNSA-N 1 0 406.571 2.903 20 0 HFADRO C[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000805178616 1078963902 /nfs/dbraw/zinc/96/39/02/1078963902.db2.gz UTMJAWHAUKNUNW-IBGZPJMESA-N 1 0 402.539 2.914 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000805182229 1078965670 /nfs/dbraw/zinc/96/56/70/1078965670.db2.gz WBLGAAWSPXEDLW-HTAPYJJXSA-N 1 0 406.571 2.903 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000805192134 1078968217 /nfs/dbraw/zinc/96/82/17/1078968217.db2.gz YTLJWMMAPQKJIC-NZSAHSFTSA-N 1 0 409.571 2.518 20 0 HFADRO COCCOCCOCCOCCNc1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001170477834 1078978514 /nfs/dbraw/zinc/97/85/14/1078978514.db2.gz MPMIAAJITBBWFP-FGZHOGPDSA-N 1 0 410.555 2.581 20 0 HFADRO C[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805224064 1078984324 /nfs/dbraw/zinc/98/43/24/1078984324.db2.gz MTZCIHYSPMKTHX-SXDHFHGXSA-N 1 0 406.493 2.594 20 0 HFADRO Cc1cccc(F)c1CNC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000805300829 1078995584 /nfs/dbraw/zinc/99/55/84/1078995584.db2.gz GJGNWGZZKDUQIK-UHFFFAOYSA-N 1 0 419.541 2.680 20 0 HFADRO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001130138896 1079007343 /nfs/dbraw/zinc/00/73/43/1079007343.db2.gz INRNPDVNJIBWBW-MCIONIFRSA-N 1 0 418.563 2.802 20 0 HFADRO Cn1ncc(Br)c1CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC001130140298 1079009125 /nfs/dbraw/zinc/00/91/25/1079009125.db2.gz YMVRRMXIUWBTFQ-UHFFFAOYSA-N 1 0 412.357 2.977 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000805331193 1079021381 /nfs/dbraw/zinc/02/13/81/1079021381.db2.gz HHEAYQVOJBBGMZ-KDOFPFPSSA-N 1 0 411.955 2.579 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000805334337 1079023971 /nfs/dbraw/zinc/02/39/71/1079023971.db2.gz FYSRKNRZLIGVPD-LPHOPBHVSA-N 1 0 420.517 2.539 20 0 HFADRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000805308305 1079031120 /nfs/dbraw/zinc/03/11/20/1079031120.db2.gz CKLZPKDZPDPDBB-LJQANCHMSA-N 1 0 400.523 2.746 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1 ZINC000805309520 1079031626 /nfs/dbraw/zinc/03/16/26/1079031626.db2.gz GZQGCOBQPKBUQO-UHFFFAOYSA-N 1 0 421.494 2.762 20 0 HFADRO C[C@@]1(CNC(=O)NCCn2cc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000805437049 1079063770 /nfs/dbraw/zinc/06/37/70/1079063770.db2.gz HGCISXHCOFAGDQ-IBGZPJMESA-N 1 0 420.355 2.857 20 0 HFADRO COC[C@]1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000805411464 1079073860 /nfs/dbraw/zinc/07/38/60/1079073860.db2.gz RFMICWNCASCQEH-RWWKDMOOSA-N 1 0 424.586 2.719 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000747243930 1079085194 /nfs/dbraw/zinc/08/51/94/1079085194.db2.gz VWXYSZOLQJQAPR-SNVBAGLBSA-N 1 0 407.319 2.543 20 0 HFADRO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)C(=O)OC(C)(C)C ZINC001130229431 1079114935 /nfs/dbraw/zinc/11/49/35/1079114935.db2.gz UIMVVFWMMUQKSJ-MRXNPFEDSA-N 1 0 400.523 2.819 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1F ZINC000747253486 1079154072 /nfs/dbraw/zinc/15/40/72/1079154072.db2.gz LBXJDTDPIBOXFM-GOEBONIOSA-N 1 0 406.479 2.726 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1 ZINC001130273273 1079168153 /nfs/dbraw/zinc/16/81/53/1079168153.db2.gz PMZRPHBLJLYTML-VPAPRSNLSA-N 1 0 421.541 2.805 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000805636084 1079189703 /nfs/dbraw/zinc/18/97/03/1079189703.db2.gz KNXMKYJTOAQBAP-CEXWTWQISA-N 1 0 419.566 2.711 20 0 HFADRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)NC[C@@H]2CSCCS2)CCCC1)c1ccccc1 ZINC000805646823 1079200240 /nfs/dbraw/zinc/20/02/40/1079200240.db2.gz DEBAEPBGYNMPJI-SJLPKXTDSA-N 1 0 421.632 2.731 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000747256272 1079194218 /nfs/dbraw/zinc/19/42/18/1079194218.db2.gz JBPAXIYCZXWWMU-JXMROGBWSA-N 1 0 406.548 2.759 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)COCC(=O)N3)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170485133 1079195206 /nfs/dbraw/zinc/19/52/06/1079195206.db2.gz UFKJHHNLMCCRPU-BCDXTJNWSA-N 1 0 409.571 2.924 20 0 HFADRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)/C=C\c2ccc(F)cc2)c2ccccc2)CC1 ZINC000747262876 1079201711 /nfs/dbraw/zinc/20/17/11/1079201711.db2.gz JRQLRJZDNXWJPE-NRFGWYQLSA-N 1 0 403.523 2.705 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793407 1079258374 /nfs/dbraw/zinc/25/83/74/1079258374.db2.gz YSUBZTKGJFNZLP-PMACEKPBSA-N 1 0 417.550 2.901 20 0 HFADRO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)sc2n1 ZINC000805793842 1079259852 /nfs/dbraw/zinc/25/98/52/1079259852.db2.gz KRTLGPOUDUHCSD-FQEVSTJZSA-N 1 0 419.551 2.682 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000805762213 1079264178 /nfs/dbraw/zinc/26/41/78/1079264178.db2.gz FOPGYKCRWWPVLJ-OALUTQOASA-N 1 0 402.539 2.957 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000805832363 1079271926 /nfs/dbraw/zinc/27/19/26/1079271926.db2.gz WACBOKHVOPSNOO-SJLPKXTDSA-N 1 0 408.568 2.909 20 0 HFADRO COC[C@]1(C)CC[N@H+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001170488897 1079274298 /nfs/dbraw/zinc/27/42/98/1079274298.db2.gz BJNSJFXPHFWOKB-IEBWSBKVSA-N 1 0 400.441 2.525 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000805765450 1079266077 /nfs/dbraw/zinc/26/60/77/1079266077.db2.gz LSDWBXUPUQIQDO-MRXNPFEDSA-N 1 0 408.543 2.620 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000805765964 1079268167 /nfs/dbraw/zinc/26/81/67/1079268167.db2.gz UJGJJJZOSKEWCB-CYBMUJFWSA-N 1 0 424.464 2.534 20 0 HFADRO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C)C2=O ZINC001130369732 1079268181 /nfs/dbraw/zinc/26/81/81/1079268181.db2.gz IJUJVJMSUSZRRK-YMUULXQMSA-N 1 0 420.598 2.843 20 0 HFADRO COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2C[C@H](N(C)C)Cc3ccccc32)c1 ZINC000747267552 1079269539 /nfs/dbraw/zinc/26/95/39/1079269539.db2.gz GHHNFSWAADIARL-GOSISDBHSA-N 1 0 402.516 2.772 20 0 HFADRO CNC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)nn1 ZINC001130386060 1079288723 /nfs/dbraw/zinc/28/87/23/1079288723.db2.gz ZSDANEMTLGGWHE-RBUKOAKNSA-N 1 0 407.518 2.713 20 0 HFADRO C[C@H](C[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@@H](C)CO)c1ccccc1 ZINC000805820520 1079291693 /nfs/dbraw/zinc/29/16/93/1079291693.db2.gz PSASTOAZBNZYEW-UXHICEINSA-N 1 0 423.557 2.916 20 0 HFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000805820563 1079291947 /nfs/dbraw/zinc/29/19/47/1079291947.db2.gz QOSBBUXLWXMXFZ-SJORKVTESA-N 1 0 407.580 2.531 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000805830560 1079299499 /nfs/dbraw/zinc/29/94/99/1079299499.db2.gz BZFDXLJXXPBJSQ-UHFFFAOYSA-N 1 0 412.600 2.516 20 0 HFADRO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)C1 ZINC000805830053 1079300169 /nfs/dbraw/zinc/30/01/69/1079300169.db2.gz WMWOFDCBQWFGMG-HKUYNNGSSA-N 1 0 415.600 2.571 20 0 HFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC001170491076 1079304203 /nfs/dbraw/zinc/30/42/03/1079304203.db2.gz RNVUYJCTZMRAGQ-DOTOQJQBSA-N 1 0 401.370 2.856 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1Cl ZINC000747276185 1079340095 /nfs/dbraw/zinc/34/00/95/1079340095.db2.gz DIRVGTBQEUQRGC-MNOVXSKESA-N 1 0 409.335 2.883 20 0 HFADRO CCC(CC)(CNC(=O)C(=O)NC[C@@H]1CSCCS1)[NH2+][C@@H](C)c1ccccc1 ZINC000805945783 1079346390 /nfs/dbraw/zinc/34/63/90/1079346390.db2.gz IASRDPYOLDKXAM-FUHWJXTLSA-N 1 0 423.648 2.977 20 0 HFADRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC001130458986 1079382946 /nfs/dbraw/zinc/38/29/46/1079382946.db2.gz YBQNLIPEXSQRDP-IPMKNSEASA-N 1 0 404.518 2.845 20 0 HFADRO CCNC(=O)Oc1cccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130489318 1079413091 /nfs/dbraw/zinc/41/30/91/1079413091.db2.gz CLVQBIVUANMDNK-WOJBJXKFSA-N 1 0 414.506 2.948 20 0 HFADRO CCOC(=O)c1cc(C)c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cn1 ZINC001170499656 1079440434 /nfs/dbraw/zinc/44/04/34/1079440434.db2.gz IUBZYFMVRSKTGV-WWDZGPRUSA-N 1 0 410.518 2.938 20 0 HFADRO CCc1nc([C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000806110580 1079440493 /nfs/dbraw/zinc/44/04/93/1079440493.db2.gz ICABEXBQJNJCCC-OPAMFIHVSA-N 1 0 414.575 2.911 20 0 HFADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001130517973 1079448814 /nfs/dbraw/zinc/44/88/14/1079448814.db2.gz BRXYKRGKABDIFT-DLBZAZTESA-N 1 0 408.340 2.702 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC001130518916 1079450214 /nfs/dbraw/zinc/45/02/14/1079450214.db2.gz QUXKGSZDGKDRNA-KSZLIROESA-N 1 0 409.571 2.830 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130523917 1079459587 /nfs/dbraw/zinc/45/95/87/1079459587.db2.gz PRLVNFIAOJRPDZ-HNNXBMFYSA-N 1 0 410.356 2.896 20 0 HFADRO COc1ccc(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)cc1OC ZINC001130541321 1079461813 /nfs/dbraw/zinc/46/18/13/1079461813.db2.gz AJDGTUXEERQWCB-UHFFFAOYSA-N 1 0 413.518 2.972 20 0 HFADRO Cn1nc2ccccc2c1C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001130542498 1079463275 /nfs/dbraw/zinc/46/32/75/1079463275.db2.gz WWLPEAXUKGGOQF-UHFFFAOYSA-N 1 0 407.518 2.842 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000806173320 1079463622 /nfs/dbraw/zinc/46/36/22/1079463622.db2.gz HWLBHKHVHCAPMJ-XWTMOSNGSA-N 1 0 400.585 2.969 20 0 HFADRO CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000806174391 1079464118 /nfs/dbraw/zinc/46/41/18/1079464118.db2.gz WHLQGKKTBPUOBF-BEFAXECRSA-N 1 0 420.535 2.681 20 0 HFADRO CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130529665 1079465841 /nfs/dbraw/zinc/46/58/41/1079465841.db2.gz XIVSETQPSDXLFR-VQTJNVASSA-N 1 0 402.535 2.858 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)NC)c(C)c2)CC1 ZINC000806149427 1079467539 /nfs/dbraw/zinc/46/75/39/1079467539.db2.gz SICKGOLEQFVTTQ-LJQANCHMSA-N 1 0 417.554 2.879 20 0 HFADRO C[C@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551704 1079478051 /nfs/dbraw/zinc/47/80/51/1079478051.db2.gz OAGLIADSVXLINB-GXTWGEPZSA-N 1 0 404.864 2.852 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)no1 ZINC000806207811 1079493763 /nfs/dbraw/zinc/49/37/63/1079493763.db2.gz WCEPNBKYZOMLMQ-SFHVURJKSA-N 1 0 420.579 2.514 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000806208471 1079494361 /nfs/dbraw/zinc/49/43/61/1079494361.db2.gz RVKSCPMXTHKYBG-UHFFFAOYSA-N 1 0 419.533 2.549 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)n[nH]2)C1 ZINC000787333758 1076745637 /nfs/dbraw/zinc/74/56/37/1076745637.db2.gz BEGAIKSKRNBEEU-DLBZAZTESA-N 1 0 417.554 2.835 20 0 HFADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC1CC[NH+](Cc3ccco3)CC1)C2=O ZINC000772698697 1076756238 /nfs/dbraw/zinc/75/62/38/1076756238.db2.gz OHTWRQPHFJDFQH-OPAMFIHVSA-N 1 0 417.506 2.536 20 0 HFADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC1CC[NH+](Cc3ccco3)CC1)C2=O ZINC000772698699 1076756323 /nfs/dbraw/zinc/75/63/23/1076756323.db2.gz OHTWRQPHFJDFQH-ZHRRBRCNSA-N 1 0 417.506 2.536 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000787315002 1076759373 /nfs/dbraw/zinc/75/93/73/1076759373.db2.gz VOXJYJOXXHLYGM-HNNXBMFYSA-N 1 0 412.987 2.863 20 0 HFADRO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000787323195 1076766900 /nfs/dbraw/zinc/76/69/00/1076766900.db2.gz ARYNJTNROFFFOW-SCTDSRPQSA-N 1 0 424.586 2.527 20 0 HFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787323734 1076767011 /nfs/dbraw/zinc/76/70/11/1076767011.db2.gz QEFVPMUKAFMYLR-MRXNPFEDSA-N 1 0 407.559 2.794 20 0 HFADRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000787346384 1076788677 /nfs/dbraw/zinc/78/86/77/1076788677.db2.gz TWZAACQJLVYBBX-GFCCVEGCSA-N 1 0 413.337 2.998 20 0 HFADRO CC(C)C[C@H](CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)[NH+](C)C ZINC000787350054 1076790201 /nfs/dbraw/zinc/79/02/01/1076790201.db2.gz VHFSKRVHZKOOPN-HZPDHXFCSA-N 1 0 407.559 2.840 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1 ZINC000787351358 1076792687 /nfs/dbraw/zinc/79/26/87/1076792687.db2.gz AJMLBDVSWVKHIV-UHFFFAOYSA-N 1 0 405.520 2.963 20 0 HFADRO COC(=O)[C@]1(NC(=O)c2ccc(NC(C)C)nc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000787428481 1076802034 /nfs/dbraw/zinc/80/20/34/1076802034.db2.gz WXXDUGGLAGUTST-QHCPKHFHSA-N 1 0 410.518 2.840 20 0 HFADRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)c1 ZINC000787408794 1076810332 /nfs/dbraw/zinc/81/03/32/1076810332.db2.gz IFYJIWIHNAMRST-HNNXBMFYSA-N 1 0 414.510 2.843 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787448196 1076814813 /nfs/dbraw/zinc/81/48/13/1076814813.db2.gz BQFOBAQHKRBWEL-GPMSIDNRSA-N 1 0 417.554 2.690 20 0 HFADRO COc1ncc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c2ccccc21 ZINC001170073303 1076818265 /nfs/dbraw/zinc/81/82/65/1076818265.db2.gz ISYDWBBDABMSQZ-UHFFFAOYSA-N 1 0 408.483 2.946 20 0 HFADRO CCN(C(=O)c1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)ccc1Cl)C(C)C ZINC000787507478 1076829713 /nfs/dbraw/zinc/82/97/13/1076829713.db2.gz DGIQXASKJYXKRD-OAHLLOKOSA-N 1 0 422.957 2.750 20 0 HFADRO C[NH+](C)CC1CCC(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787468740 1076834294 /nfs/dbraw/zinc/83/42/94/1076834294.db2.gz OKAPUMQQUGNSOG-CGZBRXJRSA-N 1 0 419.570 2.984 20 0 HFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C[C@@H]1C ZINC000787483235 1076840162 /nfs/dbraw/zinc/84/01/62/1076840162.db2.gz PCGCKDANSCBFOA-HRCADAONSA-N 1 0 405.543 2.689 20 0 HFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C[C@@H]1C ZINC000787483238 1076840300 /nfs/dbraw/zinc/84/03/00/1076840300.db2.gz PCGCKDANSCBFOA-JYJNAYRXSA-N 1 0 405.543 2.689 20 0 HFADRO C[C@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000787482495 1076840911 /nfs/dbraw/zinc/84/09/11/1076840911.db2.gz IDTLXPQIFBIOCI-YOEHRIQHSA-N 1 0 401.885 2.953 20 0 HFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787483798 1076842010 /nfs/dbraw/zinc/84/20/10/1076842010.db2.gz TZKUUIKRKVCSQN-NVXWUHKLSA-N 1 0 419.570 2.936 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000787535977 1076851853 /nfs/dbraw/zinc/85/18/53/1076851853.db2.gz MFWBREYKTFUFLM-UHFFFAOYSA-N 1 0 403.976 2.784 20 0 HFADRO CC(=O)N[C@H](CC(=O)OCCCN1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000787590827 1076862066 /nfs/dbraw/zinc/86/20/66/1076862066.db2.gz IVVDDIZSDOSDMH-HXUWFJFHSA-N 1 0 409.958 2.867 20 0 HFADRO Cc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cnc1OC(C)C ZINC001170075319 1076883289 /nfs/dbraw/zinc/88/32/89/1076883289.db2.gz UHTRCPOUTZUXJG-UHFFFAOYSA-N 1 0 400.504 2.879 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)on1)[N@@H+]1CCc2ccccc2C1 ZINC000787632928 1076885126 /nfs/dbraw/zinc/88/51/26/1076885126.db2.gz UNVUSPDMUAETGJ-PZJWPPBQSA-N 1 0 410.518 2.600 20 0 HFADRO COCCN(CCOC)C1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001170075852 1076899810 /nfs/dbraw/zinc/89/98/10/1076899810.db2.gz VWWXAHTUEMDQPU-UHFFFAOYSA-N 1 0 413.603 2.693 20 0 HFADRO CN1CC[C@H]([NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000787687707 1076912179 /nfs/dbraw/zinc/91/21/79/1076912179.db2.gz HTFWXBMYCGAXND-ACRUOGEOSA-N 1 0 424.513 2.611 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C1 ZINC000787707333 1076919782 /nfs/dbraw/zinc/91/97/82/1076919782.db2.gz DFKCMZWSOCFYKB-MRUHUIDDSA-N 1 0 413.559 2.593 20 0 HFADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C1 ZINC000787707470 1076919795 /nfs/dbraw/zinc/91/97/95/1076919795.db2.gz FVCBLDLSISYNSU-RQXXJAGISA-N 1 0 411.587 2.764 20 0 HFADRO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000787752368 1076926727 /nfs/dbraw/zinc/92/67/27/1076926727.db2.gz XKLRFDUIRQLPSY-KNQAVFIVSA-N 1 0 419.591 2.837 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000787752648 1076927777 /nfs/dbraw/zinc/92/77/77/1076927777.db2.gz ZJWIVUNAMJOVPN-HKUYNNGSSA-N 1 0 414.506 2.903 20 0 HFADRO C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787731905 1076934392 /nfs/dbraw/zinc/93/43/92/1076934392.db2.gz UCNZCDRSXWDXGS-UHFFFAOYSA-N 1 0 417.959 2.819 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@]2(O)CCCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000787767024 1076941046 /nfs/dbraw/zinc/94/10/46/1076941046.db2.gz YLSBNCYFIVHYPA-MSYCTHLASA-N 1 0 418.534 2.741 20 0 HFADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000787768548 1076941633 /nfs/dbraw/zinc/94/16/33/1076941633.db2.gz ZGXZOWXYZADSNC-RYGJVYDSSA-N 1 0 421.538 2.932 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cc(C)cnc1Cl)[NH+]1CCCC1 ZINC000787871726 1076969447 /nfs/dbraw/zinc/96/94/47/1076969447.db2.gz IFTJUGFGUSLNSK-QGZVFWFLSA-N 1 0 416.909 2.944 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)cc1 ZINC000787884321 1076976946 /nfs/dbraw/zinc/97/69/46/1076976946.db2.gz URGAYXRNZPNOKC-YWZLYKJASA-N 1 0 401.482 2.844 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2nnc(-c3ccccc3)[nH]2)cc1 ZINC000787885595 1076977220 /nfs/dbraw/zinc/97/72/20/1076977220.db2.gz KNUQPFVANNZDKN-UHFFFAOYSA-N 1 0 406.490 2.568 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000787886040 1076978057 /nfs/dbraw/zinc/97/80/57/1076978057.db2.gz KZGRGVSHWCOYAV-GOSISDBHSA-N 1 0 405.445 2.595 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000787892553 1076980367 /nfs/dbraw/zinc/98/03/67/1076980367.db2.gz BSUWZILTSAPIOA-WEQDKIBNSA-N 1 0 417.550 2.905 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000787893424 1076980850 /nfs/dbraw/zinc/98/08/50/1076980850.db2.gz FFCNCDKRHFMBAN-OALUTQOASA-N 1 0 421.607 2.791 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000787903438 1076987982 /nfs/dbraw/zinc/98/79/82/1076987982.db2.gz LHUWIWUXTRYDJT-NRFANRHFSA-N 1 0 414.594 2.805 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000787904270 1076988599 /nfs/dbraw/zinc/98/85/99/1076988599.db2.gz QVPRXMXDSQZFTG-RTWAWAEBSA-N 1 0 414.594 2.851 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)C1 ZINC000787907065 1076990112 /nfs/dbraw/zinc/99/01/12/1076990112.db2.gz BOLGEPHORYBVEQ-JVIIGWRGSA-N 1 0 415.578 2.561 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000787909287 1076990926 /nfs/dbraw/zinc/99/09/26/1076990926.db2.gz MICFLVSENSVHAX-DENIHFKCSA-N 1 0 415.578 2.587 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1 ZINC000787895802 1077002939 /nfs/dbraw/zinc/00/29/39/1077002939.db2.gz IFPBAVOIBXKPAS-UHFFFAOYSA-N 1 0 402.882 2.577 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000787967623 1077011475 /nfs/dbraw/zinc/01/14/75/1077011475.db2.gz FAMUCZVEDRBWLB-IRXDYDNUSA-N 1 0 422.545 2.568 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000787972970 1077013899 /nfs/dbraw/zinc/01/38/99/1077013899.db2.gz FZXNZUPUMKHADX-FRIZHTMISA-N 1 0 421.900 2.929 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000787941000 1077018143 /nfs/dbraw/zinc/01/81/43/1077018143.db2.gz ORIUCJIGCXMJGC-CMCXCUNFSA-N 1 0 409.530 2.744 20 0 HFADRO C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787985228 1077032722 /nfs/dbraw/zinc/03/27/22/1077032722.db2.gz APUNLQYPAQWCLA-WIYYLYMNSA-N 1 0 407.599 2.859 20 0 HFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@@H](C)C1 ZINC000788038229 1077036425 /nfs/dbraw/zinc/03/64/25/1077036425.db2.gz YXRUOKHHJDYDIH-LSDHHAIUSA-N 1 0 412.987 2.812 20 0 HFADRO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C1 ZINC000788040977 1077037918 /nfs/dbraw/zinc/03/79/18/1077037918.db2.gz KMFFYZXGKSYCSZ-IBGZPJMESA-N 1 0 421.497 2.711 20 0 HFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000788204109 1077078857 /nfs/dbraw/zinc/07/88/57/1077078857.db2.gz DRWNMBZECYCKQH-FQEVSTJZSA-N 1 0 408.905 2.561 20 0 HFADRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 ZINC000788220969 1077082059 /nfs/dbraw/zinc/08/20/59/1077082059.db2.gz XWWMQKMCFWOVJX-UHFFFAOYSA-N 1 0 407.923 2.728 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cnc(Br)c(OC)c2)[C@@H](C)C1 ZINC000788222044 1077082679 /nfs/dbraw/zinc/08/26/79/1077082679.db2.gz HIRKKHDGICVCMM-ZFWWWQNUSA-N 1 0 414.344 2.720 20 0 HFADRO COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)ccc1OCC(N)=O ZINC000788242682 1077085380 /nfs/dbraw/zinc/08/53/80/1077085380.db2.gz QSZGGGDWMIVULA-IRXDYDNUSA-N 1 0 421.538 2.875 20 0 HFADRO CC1(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000772718449 1077098396 /nfs/dbraw/zinc/09/83/96/1077098396.db2.gz JKKSNSMIAHLPSH-UHFFFAOYSA-N 1 0 421.497 2.817 20 0 HFADRO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)[C@H]1c1ccccc1 ZINC000788288192 1077099001 /nfs/dbraw/zinc/09/90/01/1077099001.db2.gz ZDXVQFGXXWZZJN-WOJBJXKFSA-N 1 0 417.531 2.677 20 0 HFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)NCCSC(C)(C)C ZINC000788365542 1077128194 /nfs/dbraw/zinc/12/81/94/1077128194.db2.gz TVIXVECWSCFJTJ-IRXDYDNUSA-N 1 0 405.608 2.907 20 0 HFADRO CCCN(Cn1nc(-c2cnn(C)c2)ccc1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000788367964 1077128833 /nfs/dbraw/zinc/12/88/33/1077128833.db2.gz LQEIHLTYMBETEJ-QFIPXVFZSA-N 1 0 420.561 2.978 20 0 HFADRO CC1(C)CCN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377018 1077133600 /nfs/dbraw/zinc/13/36/00/1077133600.db2.gz DFRFGEQVRYVFSX-QFIPXVFZSA-N 1 0 416.591 2.748 20 0 HFADRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788429387 1077143782 /nfs/dbraw/zinc/14/37/82/1077143782.db2.gz JOZVDDONAYECHO-IIBYNOLFSA-N 1 0 422.595 2.709 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000788436456 1077146125 /nfs/dbraw/zinc/14/61/25/1077146125.db2.gz LRTKEFXWHLXBNF-DRCYAFTPSA-N 1 0 400.585 2.949 20 0 HFADRO Cc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000788414218 1077157725 /nfs/dbraw/zinc/15/77/25/1077157725.db2.gz VMBZKCNYOCIYAH-NLFFAJNJSA-N 1 0 423.557 2.907 20 0 HFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000788458910 1077166126 /nfs/dbraw/zinc/16/61/26/1077166126.db2.gz GICGKQJKUJDBAD-RTBURBONSA-N 1 0 415.559 2.541 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000788467982 1077169568 /nfs/dbraw/zinc/16/95/68/1077169568.db2.gz CFZGMXUFRVLRRM-UHFFFAOYSA-N 1 0 416.566 2.890 20 0 HFADRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476654 1077172540 /nfs/dbraw/zinc/17/25/40/1077172540.db2.gz SEDSHPBPJOEMHE-RTBURBONSA-N 1 0 410.603 2.556 20 0 HFADRO C[C@H]1CN(c2ccc(C[NH2+]C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cn2)CCO1 ZINC000788525006 1077178044 /nfs/dbraw/zinc/17/80/44/1077178044.db2.gz AIGHHLXAXOSKQF-INIZCTEOSA-N 1 0 402.539 2.796 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC1 ZINC000788494360 1077181232 /nfs/dbraw/zinc/18/12/32/1077181232.db2.gz NMKONMPBGQXEOO-UHFFFAOYSA-N 1 0 422.614 2.700 20 0 HFADRO COc1ccc([C@@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)N2CCOCC2)cc1 ZINC000788502236 1077183728 /nfs/dbraw/zinc/18/37/28/1077183728.db2.gz INJNCAWCUWIXFG-LAUBAEHRSA-N 1 0 419.566 2.914 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000788547756 1077196578 /nfs/dbraw/zinc/19/65/78/1077196578.db2.gz LOVCDJPFUNOGIR-UHFFFAOYSA-N 1 0 411.543 2.558 20 0 HFADRO O=S(=O)(Cc1ccccc1C[NH2+][C@H]1CCc2ccc(Cl)nc21)N1CCOCC1 ZINC000788526840 1077202677 /nfs/dbraw/zinc/20/26/77/1077202677.db2.gz FVZQTFWMIHYMCM-SFHVURJKSA-N 1 0 421.950 2.674 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000788568768 1077208488 /nfs/dbraw/zinc/20/84/88/1077208488.db2.gz DDGQYENXRPTTGK-AEFFLSMTSA-N 1 0 411.568 2.590 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600903 1077219629 /nfs/dbraw/zinc/21/96/29/1077219629.db2.gz FKUKWFVKBRHOIG-YYWHXJBOSA-N 1 0 403.567 2.714 20 0 HFADRO COCn1nc(C)c(S(=O)(=O)Oc2ccc(OCC[NH+]3CCCCC3)cc2)c1C ZINC000788600573 1077219887 /nfs/dbraw/zinc/21/98/87/1077219887.db2.gz JWAXMYIRQOJGOI-UHFFFAOYSA-N 1 0 423.535 2.736 20 0 HFADRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000788605602 1077221361 /nfs/dbraw/zinc/22/13/61/1077221361.db2.gz ATKGVKIKNFPARD-QRVBRYPASA-N 1 0 418.538 2.934 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788646359 1077223712 /nfs/dbraw/zinc/22/37/12/1077223712.db2.gz VXLZJDXYKQXNPK-PMACEKPBSA-N 1 0 424.545 2.957 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000788626500 1077235161 /nfs/dbraw/zinc/23/51/61/1077235161.db2.gz YVWDDVTZXUMSJC-WOJBJXKFSA-N 1 0 410.518 2.567 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000788629258 1077235672 /nfs/dbraw/zinc/23/56/72/1077235672.db2.gz ZPAWLNZDGIWNBI-KRWDZBQOSA-N 1 0 411.568 2.816 20 0 HFADRO CO[C@@H]1CCOc2c(NC(=O)C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)cccc21 ZINC000790957905 1077254574 /nfs/dbraw/zinc/25/45/74/1077254574.db2.gz HWWCPYICGXVVTK-HXUWFJFHSA-N 1 0 411.502 2.815 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c(C)c1Cl ZINC000788656510 1077255102 /nfs/dbraw/zinc/25/51/02/1077255102.db2.gz GSSQSOLCCPHDNP-UHFFFAOYSA-N 1 0 406.957 2.745 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1Cl ZINC000788658640 1077256245 /nfs/dbraw/zinc/25/62/45/1077256245.db2.gz BLTHASRBLNQTKV-ZDUSSCGKSA-N 1 0 420.984 2.849 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788663774 1077258910 /nfs/dbraw/zinc/25/89/10/1077258910.db2.gz WQFHOQGYNNPKAW-NJDAHSKKSA-N 1 0 424.545 2.959 20 0 HFADRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC001170146536 1077259400 /nfs/dbraw/zinc/25/94/00/1077259400.db2.gz QZKFXRGKELZXHT-UHFFFAOYSA-N 1 0 419.327 2.515 20 0 HFADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)C3CN(C(=O)OC(C)(C)C)C3)C2=O)c1 ZINC000788668041 1077260764 /nfs/dbraw/zinc/26/07/64/1077260764.db2.gz WPZKZHZJFPFNII-AUUYWEPGSA-N 1 0 419.522 2.654 20 0 HFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000788667643 1077260795 /nfs/dbraw/zinc/26/07/95/1077260795.db2.gz GZFBSHFRJPVEEZ-FQEVSTJZSA-N 1 0 403.500 2.647 20 0 HFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1)CC2 ZINC000788668754 1077261298 /nfs/dbraw/zinc/26/12/98/1077261298.db2.gz LTJZNKLCRJGABW-FGTMMUONSA-N 1 0 419.570 2.897 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788670246 1077261575 /nfs/dbraw/zinc/26/15/75/1077261575.db2.gz DCSAGEYZKNFKQX-UHFFFAOYSA-N 1 0 411.568 2.816 20 0 HFADRO CCOC(=O)NC1CCC([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)CC1 ZINC000791002712 1077265125 /nfs/dbraw/zinc/26/51/25/1077265125.db2.gz PLYIIYVVMPNKNL-UHFFFAOYSA-N 1 0 402.539 2.502 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000746758867 1077270511 /nfs/dbraw/zinc/27/05/11/1077270511.db2.gz ZJHZXELOYRPCJT-FXAWDEMLSA-N 1 0 418.538 2.847 20 0 HFADRO C[C@H](Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788721244 1077271624 /nfs/dbraw/zinc/27/16/24/1077271624.db2.gz YQWWOSXWVLRRFG-SFHVURJKSA-N 1 0 418.582 2.980 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001170147617 1077276212 /nfs/dbraw/zinc/27/62/12/1077276212.db2.gz ADGKQLZZUHWRIC-SCLBCKFNSA-N 1 0 422.444 2.582 20 0 HFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788751396 1077276530 /nfs/dbraw/zinc/27/65/30/1077276530.db2.gz YBKJHMDOVIMGLU-YOUFYPILSA-N 1 0 400.567 2.795 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cc(F)c(C(N)=O)c(F)c3)nc3ccc(C)cc3n12 ZINC001170147337 1077279316 /nfs/dbraw/zinc/27/93/16/1077279316.db2.gz CINLCWLIFYIJMS-UHFFFAOYSA-N 1 0 410.428 2.973 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CCCN(Cc4ccccn4)C3=O)C2)C1 ZINC000788736008 1077285496 /nfs/dbraw/zinc/28/54/96/1077285496.db2.gz CTPWMSDQGGIIRJ-GOSISDBHSA-N 1 0 400.523 2.562 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)([NH+](C)C)C1 ZINC000788748335 1077289096 /nfs/dbraw/zinc/28/90/96/1077289096.db2.gz QQPNIUUXXONQJQ-RFWXGWTQSA-N 1 0 400.567 2.939 20 0 HFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788800388 1077291763 /nfs/dbraw/zinc/29/17/63/1077291763.db2.gz ZHFXXGMQKFZUJI-SFHVURJKSA-N 1 0 403.523 2.959 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H]([NH2+]Cc3cccc(NS(C)(=O)=O)c3)C2=O)c(C)c1 ZINC000788804389 1077293024 /nfs/dbraw/zinc/29/30/24/1077293024.db2.gz UCTUILYSQPPISB-LJQANCHMSA-N 1 0 401.532 2.878 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788814720 1077306589 /nfs/dbraw/zinc/30/65/89/1077306589.db2.gz UDYNBDKOSHBWPT-NHCUHLMSSA-N 1 0 400.567 2.797 20 0 HFADRO COCC1(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788826544 1077311230 /nfs/dbraw/zinc/31/12/30/1077311230.db2.gz FDISIJMLVGAXLL-IAGOWNOFSA-N 1 0 418.600 2.596 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000791156695 1077311389 /nfs/dbraw/zinc/31/13/89/1077311389.db2.gz WWOUOQXYABTSGP-YYVWFHOOSA-N 1 0 410.514 2.947 20 0 HFADRO CN(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746766679 1077311934 /nfs/dbraw/zinc/31/19/34/1077311934.db2.gz PPKOKZYLYZOLGI-IBGZPJMESA-N 1 0 424.586 2.671 20 0 HFADRO CN(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746768290 1077313849 /nfs/dbraw/zinc/31/38/49/1077313849.db2.gz CENJBCOSMKMLCF-KRWDZBQOSA-N 1 0 424.586 2.528 20 0 HFADRO COCCC(=O)N1CCC([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000791135923 1077316417 /nfs/dbraw/zinc/31/64/17/1077316417.db2.gz KZANCTALIWYKHL-SFHVURJKSA-N 1 0 403.523 2.657 20 0 HFADRO O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791169692 1077325039 /nfs/dbraw/zinc/32/50/39/1077325039.db2.gz WTDMITQNKOYOIP-JOCHJYFZSA-N 1 0 413.493 2.789 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000791220141 1077334227 /nfs/dbraw/zinc/33/42/27/1077334227.db2.gz BOJPBARYGSODGZ-UHFFFAOYSA-N 1 0 413.559 2.706 20 0 HFADRO CC(C)(CNC(=O)c1cc(S(C)(=O)=O)ccc1Br)C[NH+]1CCCC1 ZINC000791226131 1077335698 /nfs/dbraw/zinc/33/56/98/1077335698.db2.gz VCMZOLIUWIOXKO-UHFFFAOYSA-N 1 0 417.369 2.704 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000788914641 1077351573 /nfs/dbraw/zinc/35/15/73/1077351573.db2.gz ZJAGNXWZUDIGLO-QWRGUYRKSA-N 1 0 410.765 2.896 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788946119 1077356632 /nfs/dbraw/zinc/35/66/32/1077356632.db2.gz GQMCQIOBMGSIKB-IBGZPJMESA-N 1 0 423.598 2.840 20 0 HFADRO COc1ccc2nc(C[NH2+]CCN3CCN(C(=O)OC(C)(C)C)CC3)sc2c1 ZINC000788960853 1077364186 /nfs/dbraw/zinc/36/41/86/1077364186.db2.gz WSUWJSWAIIQWTQ-UHFFFAOYSA-N 1 0 406.552 2.947 20 0 HFADRO CC(C)[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000788942791 1077372767 /nfs/dbraw/zinc/37/27/67/1077372767.db2.gz YDBCOOAPVALPGF-VXKWHMMOSA-N 1 0 402.583 2.602 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(N3CCOC3=O)ccc2F)c1 ZINC000791339376 1077379435 /nfs/dbraw/zinc/37/94/35/1077379435.db2.gz LEUBPQLTEDMPPP-UHFFFAOYSA-N 1 0 415.465 2.995 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000791344113 1077380303 /nfs/dbraw/zinc/38/03/03/1077380303.db2.gz ATISESWREKHTQH-JOCHJYFZSA-N 1 0 423.529 2.935 20 0 HFADRO COC(=O)[C@H](C)C[N@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000772728680 1077380411 /nfs/dbraw/zinc/38/04/11/1077380411.db2.gz IHPBRHPUDWVRRI-ZACQAIPSSA-N 1 0 403.523 2.512 20 0 HFADRO COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000789061674 1077394648 /nfs/dbraw/zinc/39/46/48/1077394648.db2.gz MQVQTJCQDPYQPP-ZLPCBKJTSA-N 1 0 405.514 2.925 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000789050633 1077401328 /nfs/dbraw/zinc/40/13/28/1077401328.db2.gz BARPTVOVIAWPRR-FOIQADDNSA-N 1 0 406.552 2.783 20 0 HFADRO Cc1cc(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)n(C2CC[NH+](C)CC2)n1 ZINC000789137577 1077407279 /nfs/dbraw/zinc/40/72/79/1077407279.db2.gz XKNRDPIJUSQYHO-FQEVSTJZSA-N 1 0 424.549 2.723 20 0 HFADRO CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000746788456 1077408463 /nfs/dbraw/zinc/40/84/63/1077408463.db2.gz RIZSCXMEIXTBCD-DHZHZOJOSA-N 1 0 401.507 2.581 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000791494815 1077432920 /nfs/dbraw/zinc/43/29/20/1077432920.db2.gz YJUYIXPILRAFNE-HSZRJFAPSA-N 1 0 423.513 2.978 20 0 HFADRO C[C@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OCCC[NH+](C)C)cc2)cc1 ZINC000791463186 1077436054 /nfs/dbraw/zinc/43/60/54/1077436054.db2.gz KQMMVKYFYOSZIB-HNNXBMFYSA-N 1 0 406.504 2.649 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C2)c1 ZINC000791471059 1077442935 /nfs/dbraw/zinc/44/29/35/1077442935.db2.gz LFLHHBYTBUQGKH-NQIIRXRSSA-N 1 0 413.474 2.743 20 0 HFADRO CC[NH+]1CCN(c2ccc(CNC(=S)NCCc3ccc(F)cc3)cn2)CC1 ZINC000789187291 1077451809 /nfs/dbraw/zinc/45/18/09/1077451809.db2.gz DHRUUZBLHABMEQ-UHFFFAOYSA-N 1 0 401.555 2.569 20 0 HFADRO COc1ccc([C@H](CNC(=O)COC(=O)C2(SC)CC2)[NH+]2CCCCC2)cc1 ZINC000789197675 1077456801 /nfs/dbraw/zinc/45/68/01/1077456801.db2.gz ZLWDNTYFTMQOCF-SFHVURJKSA-N 1 0 406.548 2.777 20 0 HFADRO CCC1=C(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)CCCO1 ZINC000791537962 1077458152 /nfs/dbraw/zinc/45/81/52/1077458152.db2.gz BPEMEHJFGCVXBL-UHFFFAOYSA-N 1 0 416.518 2.747 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cn1 ZINC000791563439 1077481302 /nfs/dbraw/zinc/48/13/02/1077481302.db2.gz KSXWPYKVFZPJGT-GOSISDBHSA-N 1 0 419.501 2.831 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCCC[NH+]3CCCCC3)C2)c1 ZINC000791587756 1077492694 /nfs/dbraw/zinc/49/26/94/1077492694.db2.gz FPKDHCNGABCWBL-OAQYLSRUSA-N 1 0 403.523 2.969 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)C2)c1 ZINC000791590037 1077494154 /nfs/dbraw/zinc/49/41/54/1077494154.db2.gz SZQGUQAJZBMIDZ-ZHRRBRCNSA-N 1 0 411.502 2.834 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791654291 1077512986 /nfs/dbraw/zinc/51/29/86/1077512986.db2.gz ICUFIHNOPCHNHD-QRVBRYPASA-N 1 0 418.538 2.681 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000791707675 1077521794 /nfs/dbraw/zinc/52/17/94/1077521794.db2.gz YCMPTOQLKWLDHB-YROCYRMSSA-N 1 0 423.513 2.834 20 0 HFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000746802344 1077528228 /nfs/dbraw/zinc/52/82/28/1077528228.db2.gz ZJFFWUXOBPYKPG-SFHVURJKSA-N 1 0 416.522 2.661 20 0 HFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746800569 1077529188 /nfs/dbraw/zinc/52/91/88/1077529188.db2.gz ANXKMIFFZNNFMK-LJQANCHMSA-N 1 0 409.534 2.917 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(Br)nc2OC)C1 ZINC000789388693 1077533893 /nfs/dbraw/zinc/53/38/93/1077533893.db2.gz OUXOSJMUCGOIMS-ZDUSSCGKSA-N 1 0 415.332 2.817 20 0 HFADRO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000789389523 1077534219 /nfs/dbraw/zinc/53/42/19/1077534219.db2.gz SXXBYGIDKKZIEJ-RBUKOAKNSA-N 1 0 411.587 2.813 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000789362671 1077538562 /nfs/dbraw/zinc/53/85/62/1077538562.db2.gz JCXPEQLXPCEBEV-OAHLLOKOSA-N 1 0 410.474 2.764 20 0 HFADRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C12CCCC2 ZINC001170105655 1077552851 /nfs/dbraw/zinc/55/28/51/1077552851.db2.gz RCAGHSJBCBONSG-RBUKOAKNSA-N 1 0 406.523 2.656 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000791795185 1077559923 /nfs/dbraw/zinc/55/99/23/1077559923.db2.gz OUSRPYFNMKKBOF-UHFFFAOYSA-N 1 0 411.587 2.983 20 0 HFADRO COc1ccc(OC)c(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(C)cc2)c1 ZINC000789402867 1077560619 /nfs/dbraw/zinc/56/06/19/1077560619.db2.gz RZOKIVHBTRPYPM-UHFFFAOYSA-O 1 0 412.495 2.752 20 0 HFADRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NC[C@@H]2CCOC2)cc1 ZINC000789403242 1077561154 /nfs/dbraw/zinc/56/11/54/1077561154.db2.gz LUFRUOGQNNNLNN-HNNXBMFYSA-O 1 0 416.571 2.844 20 0 HFADRO Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCCCN(C)c2ccccc2)cc1 ZINC000789403949 1077561566 /nfs/dbraw/zinc/56/15/66/1077561566.db2.gz YQUSGZQKEUEJJO-UHFFFAOYSA-O 1 0 423.566 2.738 20 0 HFADRO Cn1nc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c2ccccc2c1=O ZINC000791784415 1077568820 /nfs/dbraw/zinc/56/88/20/1077568820.db2.gz MYAVNVKLYSSYIB-UHFFFAOYSA-N 1 0 419.529 2.964 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000791823242 1077574074 /nfs/dbraw/zinc/57/40/74/1077574074.db2.gz KWPJUGPXPYPQGL-HXUWFJFHSA-N 1 0 422.504 2.942 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccn2c(Br)cnc12 ZINC000791828934 1077576834 /nfs/dbraw/zinc/57/68/34/1077576834.db2.gz RNXDZJZGHSGJGF-HNNXBMFYSA-N 1 0 414.307 2.744 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000791840981 1077581325 /nfs/dbraw/zinc/58/13/25/1077581325.db2.gz COHGRHGIGYIUTJ-GOSISDBHSA-N 1 0 417.579 2.619 20 0 HFADRO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940579 1077600525 /nfs/dbraw/zinc/60/05/25/1077600525.db2.gz VVRGUSGANYACIK-AUCUJOAUSA-N 1 0 413.587 2.835 20 0 HFADRO O=C(CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)c(F)c1 ZINC000791974000 1077616395 /nfs/dbraw/zinc/61/63/95/1077616395.db2.gz LAVRQAKJOAQQEB-CALCHBBNSA-N 1 0 414.456 2.677 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000791982051 1077622028 /nfs/dbraw/zinc/62/20/28/1077622028.db2.gz ODUKSQXADHDSHX-AGHHOFFYSA-N 1 0 404.514 2.573 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000791964454 1077636687 /nfs/dbraw/zinc/63/66/87/1077636687.db2.gz QDRGJEBQWFAKSA-UHFFFAOYSA-N 1 0 420.476 2.712 20 0 HFADRO O=C(Nc1nc2c(s1)CCCCCC2)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000789549279 1077639509 /nfs/dbraw/zinc/63/95/09/1077639509.db2.gz PFZCBYRCWOYCRJ-INIZCTEOSA-N 1 0 420.579 2.500 20 0 HFADRO CCC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H](O)c1ccccc1 ZINC000792006817 1077646371 /nfs/dbraw/zinc/64/63/71/1077646371.db2.gz OIDDSXDYWAFBJL-UNMCSNQZSA-N 1 0 411.550 2.535 20 0 HFADRO CCC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H](O)c1ccccc1 ZINC000792006815 1077646551 /nfs/dbraw/zinc/64/65/51/1077646551.db2.gz OIDDSXDYWAFBJL-IRLDBZIGSA-N 1 0 411.550 2.535 20 0 HFADRO CCC[C@@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H](O)c1ccccc1 ZINC000792010788 1077648552 /nfs/dbraw/zinc/64/85/52/1077648552.db2.gz AOZCICFELDAPDR-IRLDBZIGSA-N 1 0 411.550 2.535 20 0 HFADRO CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000746830308 1077674469 /nfs/dbraw/zinc/67/44/69/1077674469.db2.gz ZNWBBQIKJSRYIX-UHFFFAOYSA-N 1 0 409.571 2.785 20 0 HFADRO Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000789558208 1077675543 /nfs/dbraw/zinc/67/55/43/1077675543.db2.gz LXAHUEQHXBVXAM-UHFFFAOYSA-N 1 0 419.529 2.752 20 0 HFADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c(C)c1 ZINC000789560039 1077678092 /nfs/dbraw/zinc/67/80/92/1077678092.db2.gz DWFYFGSXYHUWEU-LJQANCHMSA-N 1 0 403.486 2.876 20 0 HFADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1 ZINC000789560975 1077679800 /nfs/dbraw/zinc/67/98/00/1077679800.db2.gz OLLSHWKCTPWSRN-HXUWFJFHSA-N 1 0 403.486 2.627 20 0 HFADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c1 ZINC000789560641 1077680226 /nfs/dbraw/zinc/68/02/26/1077680226.db2.gz LIPUCLNUWIKJSK-HXUWFJFHSA-N 1 0 403.486 2.627 20 0 HFADRO Cc1ccc(CN(C)C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)nc1 ZINC000789613588 1077684126 /nfs/dbraw/zinc/68/41/26/1077684126.db2.gz JSKVBRZQHSUVCZ-UHFFFAOYSA-N 1 0 409.534 2.518 20 0 HFADRO CC(C)c1[nH]nc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1Br ZINC000792039295 1077689346 /nfs/dbraw/zinc/68/93/46/1077689346.db2.gz MLRKEJRFTXRNBW-UHFFFAOYSA-N 1 0 401.349 2.869 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)C2=O)c(C)c1 ZINC000789624155 1077694393 /nfs/dbraw/zinc/69/43/93/1077694393.db2.gz FTMQTDSOIKOYGO-HXUWFJFHSA-N 1 0 422.529 2.534 20 0 HFADRO C[C@H](C[C@H](O)c1ccccc1)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000789630969 1077710794 /nfs/dbraw/zinc/71/07/94/1077710794.db2.gz RFRSBEKCGUAXNS-YSGRDPCXSA-N 1 0 411.502 2.639 20 0 HFADRO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000789630966 1077710843 /nfs/dbraw/zinc/71/08/43/1077710843.db2.gz RFRSBEKCGUAXNS-CDHQVMDDSA-N 1 0 411.502 2.639 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000792096250 1077713495 /nfs/dbraw/zinc/71/34/95/1077713495.db2.gz FIJQLNMUEVRXTI-HXUWFJFHSA-N 1 0 418.582 2.657 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000746842277 1077715316 /nfs/dbraw/zinc/71/53/16/1077715316.db2.gz MCOKQKQWMFKBIJ-QRVBRYPASA-N 1 0 410.603 2.506 20 0 HFADRO O=C(NCc1cn(-c2ccccc2)nn1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792128316 1077715837 /nfs/dbraw/zinc/71/58/37/1077715837.db2.gz AENWCYWDJHXZDC-UHFFFAOYSA-N 1 0 422.455 2.872 20 0 HFADRO C[C@@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC1(C)OCCO1 ZINC000792134462 1077718367 /nfs/dbraw/zinc/71/83/67/1077718367.db2.gz SUTXOOWPQIYSBN-IUDNXUCKSA-N 1 0 407.477 2.880 20 0 HFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C1 ZINC000792145475 1077721968 /nfs/dbraw/zinc/72/19/68/1077721968.db2.gz OCCNNBDQWUBCMF-MOPGFXCFSA-N 1 0 423.529 2.661 20 0 HFADRO CC/C(=C\C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(OC)cc1 ZINC000746839759 1077725064 /nfs/dbraw/zinc/72/50/64/1077725064.db2.gz BDFWIVOUSHHYNO-FMQUCBEESA-N 1 0 423.561 2.997 20 0 HFADRO C[C@H](C[C@@H](O)c1cccs1)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000789685780 1077726958 /nfs/dbraw/zinc/72/69/58/1077726958.db2.gz PHWCUPDVYPBHLI-XOKHGSTOSA-N 1 0 417.531 2.700 20 0 HFADRO CC(C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000789692569 1077730613 /nfs/dbraw/zinc/73/06/13/1077730613.db2.gz AHSGZHTVBBSNHD-AABGKKOBSA-N 1 0 421.969 2.913 20 0 HFADRO O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789669149 1077734432 /nfs/dbraw/zinc/73/44/32/1077734432.db2.gz STWJOBMZYQBRCK-NHCUHLMSSA-N 1 0 411.933 2.704 20 0 HFADRO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792225507 1077750899 /nfs/dbraw/zinc/75/08/99/1077750899.db2.gz JHBYZNBCOSBLRF-MOPGFXCFSA-N 1 0 402.539 2.817 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)nc1 ZINC000792232786 1077755673 /nfs/dbraw/zinc/75/56/73/1077755673.db2.gz VZUHUMIOWSHTMX-LJQANCHMSA-N 1 0 418.538 2.684 20 0 HFADRO CS[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)C1 ZINC000792234825 1077757110 /nfs/dbraw/zinc/75/71/10/1077757110.db2.gz GQFJIZUBIONMRC-PXNSSMCTSA-N 1 0 418.607 2.864 20 0 HFADRO CCc1nnc(C2CCN(C(=O)Nc3ccc(N4CC[NH+](CC)CC4)cc3)CC2)[nH]1 ZINC000792211084 1077766718 /nfs/dbraw/zinc/76/67/18/1077766718.db2.gz XWTUJZCGPNDXMW-UHFFFAOYSA-N 1 0 411.554 2.921 20 0 HFADRO C[C@H]1C[NH+](CCCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792216734 1077770045 /nfs/dbraw/zinc/77/00/45/1077770045.db2.gz XJPLDISVXIOUCX-IRXDYDNUSA-N 1 0 420.554 2.977 20 0 HFADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000789768674 1077770466 /nfs/dbraw/zinc/77/04/66/1077770466.db2.gz HRRXMODBPIFRMP-SFHVURJKSA-N 1 0 415.600 2.524 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000789736777 1077772122 /nfs/dbraw/zinc/77/21/22/1077772122.db2.gz MZMXEQMIPWZKJA-MRXNPFEDSA-N 1 0 400.523 2.634 20 0 HFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000792280704 1077773399 /nfs/dbraw/zinc/77/33/99/1077773399.db2.gz HACSSNFXYFVKQQ-UHFFFAOYSA-N 1 0 413.335 2.614 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000789747423 1077779622 /nfs/dbraw/zinc/77/96/22/1077779622.db2.gz HROROXYBTAIPDO-UHFFFAOYSA-N 1 0 402.882 2.577 20 0 HFADRO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2cccc(OC)c2)c1 ZINC000789749104 1077781143 /nfs/dbraw/zinc/78/11/43/1077781143.db2.gz AQCRFJYDTHMBGU-UHFFFAOYSA-N 1 0 406.504 2.995 20 0 HFADRO CC[C@H](C)[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260164 1077784622 /nfs/dbraw/zinc/78/46/22/1077784622.db2.gz NDDURUQEAGEJCY-YRPNKDGESA-N 1 0 418.578 2.990 20 0 HFADRO COc1ccccc1[C@H](O)CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792276923 1077791311 /nfs/dbraw/zinc/79/13/11/1077791311.db2.gz IEVBVJOHENPCQY-VMBOVVBDSA-N 1 0 415.456 2.833 20 0 HFADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000792277629 1077792121 /nfs/dbraw/zinc/79/21/21/1077792121.db2.gz VGLVYZOZCOXLJE-INIZCTEOSA-N 1 0 418.563 2.682 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCSC(C)(C)CC3)cc2)CC1 ZINC000789797299 1077802545 /nfs/dbraw/zinc/80/25/45/1077802545.db2.gz SIAHMXLAFWONSW-UHFFFAOYSA-N 1 0 404.580 2.511 20 0 HFADRO CO[C@@H]1Cc2ccc(NC(=O)C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)cc2C1 ZINC000789774511 1077808377 /nfs/dbraw/zinc/80/83/77/1077808377.db2.gz FXVOKVPAEOPSCX-XLIONFOSSA-N 1 0 409.486 2.763 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CCCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000792328197 1077809439 /nfs/dbraw/zinc/80/94/39/1077809439.db2.gz XNJGMXCVTPZEMB-UHFFFAOYSA-N 1 0 422.570 2.820 20 0 HFADRO CC(C)(C)OC(=O)Nc1cccc(CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000772794366 1077820526 /nfs/dbraw/zinc/82/05/26/1077820526.db2.gz CHDKPLOTPSQECD-IBGZPJMESA-N 1 0 403.523 2.946 20 0 HFADRO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000792331539 1077821725 /nfs/dbraw/zinc/82/17/25/1077821725.db2.gz NCUDIEQUIMAHKQ-LJQANCHMSA-N 1 0 422.614 2.652 20 0 HFADRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000792376845 1077826474 /nfs/dbraw/zinc/82/64/74/1077826474.db2.gz ONRUBEMNUWWZEC-MSOLQXFVSA-N 1 0 410.440 2.602 20 0 HFADRO COc1cccc(NC(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1F ZINC000792399843 1077835301 /nfs/dbraw/zinc/83/53/01/1077835301.db2.gz SJMCKIMYCZBJGP-UHFFFAOYSA-N 1 0 417.403 2.694 20 0 HFADRO C[C@@H]1C[C@H](C)N1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000792381101 1077845117 /nfs/dbraw/zinc/84/51/17/1077845117.db2.gz NRIJVEMVRBFMEN-CALCHBBNSA-N 1 0 400.523 2.839 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCc3ccc4ncccc4c3)cc2)CC1 ZINC000792425796 1077850890 /nfs/dbraw/zinc/85/08/90/1077850890.db2.gz RMZOOSLGQXKIEQ-UHFFFAOYSA-N 1 0 417.513 2.632 20 0 HFADRO NC(=[NH2+])N(c1cnc2c(Br)cccn12)c1ccc(N2CCOCC2)cc1 ZINC001170167009 1077869191 /nfs/dbraw/zinc/86/91/91/1077869191.db2.gz QOQDYPSYCBYNPY-UHFFFAOYSA-N 1 0 415.295 2.965 20 0 HFADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(N3CCOCC3)nc2)CC1 ZINC000792489980 1077880385 /nfs/dbraw/zinc/88/03/85/1077880385.db2.gz GEAXJTKTJFAAFU-UHFFFAOYSA-N 1 0 423.561 2.949 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(CC3N=NC(=S)N3C)cs2)o1 ZINC000746867698 1077882302 /nfs/dbraw/zinc/88/23/02/1077882302.db2.gz CIPFPNKKYIKYIU-UHFFFAOYSA-N 1 0 406.537 2.838 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000789993148 1077893751 /nfs/dbraw/zinc/89/37/51/1077893751.db2.gz SHZKRPKMCDFPCL-OJAHFUOMSA-N 1 0 410.518 2.567 20 0 HFADRO CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc3c[nH+]cn3c1)CCC2 ZINC000792549836 1077899818 /nfs/dbraw/zinc/89/98/18/1077899818.db2.gz GTCZSEIZGRGZFQ-UHFFFAOYSA-N 1 0 413.455 2.857 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CCO1 ZINC001170207413 1077906474 /nfs/dbraw/zinc/90/64/74/1077906474.db2.gz KNESQIIJQKXCSB-RTBURBONSA-N 1 0 409.571 2.735 20 0 HFADRO CC[C@H]1C[C@@H]([NH+]2CCC(c3cc4c(ncn4C)c(N4CCOCC4)n3)CC2)CCO1 ZINC001170214066 1077908612 /nfs/dbraw/zinc/90/86/12/1077908612.db2.gz MDXJANGYHZXLHA-OALUTQOASA-N 1 0 413.566 2.942 20 0 HFADRO CC[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214702 1077908815 /nfs/dbraw/zinc/90/88/15/1077908815.db2.gz SOXCTTJZCLQLDG-FCIYXJNOSA-N 1 0 422.591 2.879 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214087 1077908827 /nfs/dbraw/zinc/90/88/27/1077908827.db2.gz MMWMWGFSSKMUCO-GXRSIYKFSA-N 1 0 406.592 2.913 20 0 HFADRO CC[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CCO1 ZINC001170215978 1077909239 /nfs/dbraw/zinc/90/92/39/1077909239.db2.gz GDBYNRWLPMIBPZ-BCYZHJNNSA-N 1 0 402.568 2.662 20 0 HFADRO CC[C@@H]1C[C@H](n2cncc2C[C@H]([NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194071 1077911180 /nfs/dbraw/zinc/91/11/80/1077911180.db2.gz URAXYOMGRQTJGI-POAQFYNOSA-N 1 0 424.501 2.937 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)NCc1cccc(OCC(F)(F)F)c1 ZINC000792573093 1077911265 /nfs/dbraw/zinc/91/12/65/1077911265.db2.gz RQNPFCGLKINTCR-UHFFFAOYSA-N 1 0 407.348 2.749 20 0 HFADRO Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)n1 ZINC000790013153 1077913163 /nfs/dbraw/zinc/91/31/63/1077913163.db2.gz QDTLKFFBUVPVFY-UHFFFAOYSA-N 1 0 422.982 2.924 20 0 HFADRO CC[C@@H]1C[C@@H](N(CC2CC2)c2nc3c(cc2C(=O)N(C)C)CC[NH2+]CC3)CCO1 ZINC001170224935 1077917075 /nfs/dbraw/zinc/91/70/75/1077917075.db2.gz WKGOYJNXFRFNAC-RBUKOAKNSA-N 1 0 400.567 2.646 20 0 HFADRO C[NH+]1CCN(c2cc(C(=O)N3CCCC[C@@H]3C(=O)OCc3ccccc3)ccn2)CC1 ZINC000792598614 1077920622 /nfs/dbraw/zinc/92/06/22/1077920622.db2.gz HOLORELCQNPLFL-OAQYLSRUSA-N 1 0 422.529 2.572 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)C1 ZINC001170264646 1077921354 /nfs/dbraw/zinc/92/13/54/1077921354.db2.gz UHNAMDNFXQPRQB-CEXWTWQISA-N 1 0 405.587 2.992 20 0 HFADRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)OC)c1 ZINC001170264824 1077921402 /nfs/dbraw/zinc/92/14/02/1077921402.db2.gz ZADJHFYTTCIOJD-APWZRJJASA-N 1 0 412.486 2.730 20 0 HFADRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2cccc[n+]2[O-])cc1 ZINC001170267676 1077922682 /nfs/dbraw/zinc/92/26/82/1077922682.db2.gz AZQJVISRZMQQDB-UHFFFAOYSA-N 1 0 414.462 2.599 20 0 HFADRO CNC(=O)[C@]12C[N@@H+]([C@@H](C)Cc3ccccc3Cl)C[C@H]1N(c1ncccn1)CCC2 ZINC001170275501 1077926494 /nfs/dbraw/zinc/92/64/94/1077926494.db2.gz WNXKJEMMLMJLCL-DKZVUGQWSA-N 1 0 413.953 2.778 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnccn2)C1 ZINC001170275902 1077926811 /nfs/dbraw/zinc/92/68/11/1077926811.db2.gz ZQVMUCPYCVNMIR-CNTRQJEFSA-N 1 0 414.937 2.828 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@H+]1Cc2ccnn2C[C@H](COCC(=O)N(C)C)C1 ZINC001170275964 1077926869 /nfs/dbraw/zinc/92/68/69/1077926869.db2.gz KSABKSMAJBYMBN-IAGOWNOFSA-N 1 0 404.942 2.704 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049427 1077929599 /nfs/dbraw/zinc/92/95/99/1077929599.db2.gz GIGXZOJELFBBQI-PMACEKPBSA-N 1 0 414.594 2.572 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000790051408 1077931568 /nfs/dbraw/zinc/93/15/68/1077931568.db2.gz PCQLMJLPQVFIBM-IRXDYDNUSA-N 1 0 411.568 2.862 20 0 HFADRO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC001170334267 1077946393 /nfs/dbraw/zinc/94/63/93/1077946393.db2.gz YZCJPTRPUGGOQF-WOJBJXKFSA-N 1 0 423.557 2.932 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC001170334225 1077946400 /nfs/dbraw/zinc/94/64/00/1077946400.db2.gz YANLIXKOSHARAZ-IRXDYDNUSA-N 1 0 422.570 2.724 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)C2)c1 ZINC000792638153 1077950102 /nfs/dbraw/zinc/95/01/02/1077950102.db2.gz NJLKMFYDLIHUKJ-JOCHJYFZSA-N 1 0 411.502 2.917 20 0 HFADRO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nnnn1C1CC1 ZINC000790124242 1077958874 /nfs/dbraw/zinc/95/88/74/1077958874.db2.gz MUGZLVQWWWETQI-CYBMUJFWSA-N 1 0 403.918 2.686 20 0 HFADRO C[C@H](C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000790125471 1077959100 /nfs/dbraw/zinc/95/91/00/1077959100.db2.gz WBIGVHQXAPZVHA-HXUWFJFHSA-N 1 0 409.578 2.882 20 0 HFADRO CC(C)[C@](C)([NH2+]CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(N)=O ZINC001170129195 1077964842 /nfs/dbraw/zinc/96/48/42/1077964842.db2.gz WQROKUUHVWUOHF-OSPHWJPCSA-N 1 0 424.545 2.948 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1cccc2nc([C@H]3C[NH2+]CCO3)cn21 ZINC001170403856 1077965759 /nfs/dbraw/zinc/96/57/59/1077965759.db2.gz GDPFEUPXZYCPMR-PKOBYXMFSA-N 1 0 412.465 2.721 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ncc(OCC2CC[NH+](C)CC2)cn1 ZINC001170405841 1077966079 /nfs/dbraw/zinc/96/60/79/1077966079.db2.gz ZKGUXVCKJNAOCV-FQEVSTJZSA-N 1 0 416.497 2.923 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001170412621 1077966775 /nfs/dbraw/zinc/96/67/75/1077966775.db2.gz RCTMFMNBSUSHTI-BBWFWOEESA-N 1 0 420.506 2.877 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000790189496 1077967090 /nfs/dbraw/zinc/96/70/90/1077967090.db2.gz JOYRKKUXXFABQV-YPAWHYETSA-N 1 0 411.550 2.775 20 0 HFADRO COCCN(CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)C(=O)OC(C)(C)C ZINC000790238964 1077974066 /nfs/dbraw/zinc/97/40/66/1077974066.db2.gz SUHMLLYRUDDSDR-KRWDZBQOSA-N 1 0 407.511 2.894 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3c(C)coc3C)CC2)cc1 ZINC000792758580 1077987551 /nfs/dbraw/zinc/98/75/51/1077987551.db2.gz VVJSWEUYUUFNRK-UHFFFAOYSA-N 1 0 400.475 2.796 20 0 HFADRO CC(C)n1nccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792793417 1077993083 /nfs/dbraw/zinc/99/30/83/1077993083.db2.gz UTIAGSVXAKINQN-GOSISDBHSA-N 1 0 419.570 2.755 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)cc2)CCO1 ZINC000792832797 1078008053 /nfs/dbraw/zinc/00/80/53/1078008053.db2.gz QDRVWHYGZJMJFW-LJQANCHMSA-N 1 0 408.546 2.911 20 0 HFADRO Cc1cc(Br)cc2c1CN(CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)CC2 ZINC000790377667 1078008228 /nfs/dbraw/zinc/00/82/28/1078008228.db2.gz XIYVWAKMPDFZKP-FQEVSTJZSA-N 1 0 420.351 2.990 20 0 HFADRO CCOC1(C(=O)OCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCCC1 ZINC000792835199 1078008374 /nfs/dbraw/zinc/00/83/74/1078008374.db2.gz WEOBNBRWWPTIPL-UHFFFAOYSA-N 1 0 402.535 2.968 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000792856381 1078009398 /nfs/dbraw/zinc/00/93/98/1078009398.db2.gz GSNDNEGZRQEGDA-UHFFFAOYSA-N 1 0 416.566 2.694 20 0 HFADRO Cc1ccc(CCN(C[C@H]2CCCO2)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365941 1078014908 /nfs/dbraw/zinc/01/49/08/1078014908.db2.gz IVWUKOJYYCKBGM-ISKFKSNPSA-N 1 0 413.562 2.893 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000790372788 1078017256 /nfs/dbraw/zinc/01/72/56/1078017256.db2.gz BXWIMVIDBSZZIF-YADHBBJMSA-N 1 0 411.550 2.633 20 0 HFADRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000747090188 1078017696 /nfs/dbraw/zinc/01/76/96/1078017696.db2.gz HTBRFSFFSYPPSR-MRXNPFEDSA-N 1 0 421.538 2.557 20 0 HFADRO C[C@@H]1OCC[C@]12C[N@H+](Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407404 1078019941 /nfs/dbraw/zinc/01/99/41/1078019941.db2.gz RPMLETFEOMUGCB-TYILLQQXSA-N 1 0 407.308 2.990 20 0 HFADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792937846 1078029412 /nfs/dbraw/zinc/02/94/12/1078029412.db2.gz ZZRYVYSXWZBMKY-JJRVBVJISA-N 1 0 410.474 2.606 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@H](C4OCCO4)C3)c2ccc1Br ZINC000790445409 1078034329 /nfs/dbraw/zinc/03/43/29/1078034329.db2.gz ITVCYKJYZAJBPL-LBPRGKRZSA-N 1 0 424.295 2.628 20 0 HFADRO COc1ccccc1NC(=O)C1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792961027 1078036544 /nfs/dbraw/zinc/03/65/44/1078036544.db2.gz XDDWFJPHZJSXSJ-KRWDZBQOSA-N 1 0 421.538 2.621 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000792960793 1078036662 /nfs/dbraw/zinc/03/66/62/1078036662.db2.gz UPXZQVPQOBSLPQ-KRWDZBQOSA-N 1 0 413.509 2.795 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)nc1Br ZINC000792965957 1078037628 /nfs/dbraw/zinc/03/76/28/1078037628.db2.gz VTYXERYSVQVROR-KZULUSFZSA-N 1 0 411.344 2.718 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccco1 ZINC000792967216 1078038106 /nfs/dbraw/zinc/03/81/06/1078038106.db2.gz BUAIRJSCDJOGCN-LBPRGKRZSA-N 1 0 409.284 2.575 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792968100 1078038530 /nfs/dbraw/zinc/03/85/30/1078038530.db2.gz GFZHXKSOPRKRCK-BETUJISGSA-N 1 0 411.344 2.655 20 0 HFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792969868 1078039342 /nfs/dbraw/zinc/03/93/42/1078039342.db2.gz RZFSLBFYQKHWBT-DZGCQCFKSA-N 1 0 417.307 2.734 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]Cc2cccc(N3CCOCC3)n2)CC1 ZINC000790475025 1078039611 /nfs/dbraw/zinc/03/96/11/1078039611.db2.gz LZQGWDVUODCYEZ-UHFFFAOYSA-N 1 0 410.518 2.809 20 0 HFADRO CCc1ccc([C@@H](CNC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000806308573 1079562351 /nfs/dbraw/zinc/56/23/51/1079562351.db2.gz VVXQRUAFQROBRA-APWZRJJASA-N 1 0 415.456 2.989 20 0 HFADRO COc1ccc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1N1CCOC1=O ZINC000806314722 1079568022 /nfs/dbraw/zinc/56/80/22/1079568022.db2.gz CWBQQKYGGHKPNY-UHFFFAOYSA-N 1 0 410.474 3.000 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000806319049 1079589839 /nfs/dbraw/zinc/58/98/39/1079589839.db2.gz GNKHFWHEPLBDDK-MJGOQNOKSA-N 1 0 420.558 2.700 20 0 HFADRO CCCCC[C@@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(C)C ZINC000806320725 1079591962 /nfs/dbraw/zinc/59/19/62/1079591962.db2.gz KLWIORNRPIJIMH-JGUMPVPUSA-N 1 0 420.642 2.867 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C(C)(C)C ZINC000806321486 1079593528 /nfs/dbraw/zinc/59/35/28/1079593528.db2.gz VXIGPQVQMZJPHU-ZCNNSNEGSA-N 1 0 408.631 2.582 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C(C)(C)C ZINC000806322489 1079594094 /nfs/dbraw/zinc/59/40/94/1079594094.db2.gz WZXXGMASMNKWAB-PMACEKPBSA-N 1 0 408.631 2.726 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000806388937 1079639849 /nfs/dbraw/zinc/63/98/49/1079639849.db2.gz JLGLGIBBWVOHBQ-ZCNNSNEGSA-N 1 0 421.557 2.723 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)C(C)(C)C ZINC000806391516 1079642695 /nfs/dbraw/zinc/64/26/95/1079642695.db2.gz XISCGWCMTICBKB-PMACEKPBSA-N 1 0 421.557 2.580 20 0 HFADRO CC(C)NC(=O)OC1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000806358574 1079646709 /nfs/dbraw/zinc/64/67/09/1079646709.db2.gz WBQBTLPAAPMKOP-UHFFFAOYSA-N 1 0 404.511 2.902 20 0 HFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000806423741 1079668580 /nfs/dbraw/zinc/66/85/80/1079668580.db2.gz CZAXKPORRNPLHE-LEWJYISDSA-N 1 0 411.933 2.704 20 0 HFADRO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000806404110 1079691499 /nfs/dbraw/zinc/69/14/99/1079691499.db2.gz AIBMROUSOHHDOI-PMACEKPBSA-N 1 0 424.586 2.531 20 0 HFADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2[NH2+]CCCC(C)(C)C)c1 ZINC001130628567 1079705706 /nfs/dbraw/zinc/70/57/06/1079705706.db2.gz YODGDUREEJDAGY-VJWNIMFCSA-N 1 0 400.567 2.554 20 0 HFADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2[NH2+]CCCC2CCC2)c1 ZINC001130630011 1079710305 /nfs/dbraw/zinc/71/03/05/1079710305.db2.gz BAPXHVWFVPQYCB-TZWCSUAMSA-N 1 0 400.567 2.700 20 0 HFADRO CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1c1cn(C)cn1 ZINC001130635346 1079723724 /nfs/dbraw/zinc/72/37/24/1079723724.db2.gz VUYPRMYEEMFRTO-SXFAUFNYSA-N 1 0 402.583 2.803 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)NC(=O)OC(C)(C)C ZINC000806460738 1079733950 /nfs/dbraw/zinc/73/39/50/1079733950.db2.gz MGXMAIXLMXXXNM-GOSISDBHSA-N 1 0 418.538 2.751 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)NCc3ccc(Cl)nc3)CC2)C1 ZINC000806460607 1079734424 /nfs/dbraw/zinc/73/44/24/1079734424.db2.gz KZMBKRYLQVLSTJ-INIZCTEOSA-N 1 0 423.945 2.572 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)C1 ZINC000806501688 1079752866 /nfs/dbraw/zinc/75/28/66/1079752866.db2.gz JRLHOIRZDBYMNX-PKOBYXMFSA-N 1 0 415.534 2.676 20 0 HFADRO CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000806474687 1079761238 /nfs/dbraw/zinc/76/12/38/1079761238.db2.gz DBUCQHBGWWENFG-NZSAHSFTSA-N 1 0 421.632 2.635 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCCc2ccc3[nH]ccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000806548620 1079787295 /nfs/dbraw/zinc/78/72/95/1079787295.db2.gz KDMXOZCUHTUJRU-VWLOTQADSA-N 1 0 418.541 2.855 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)C1 ZINC000806512958 1079788923 /nfs/dbraw/zinc/78/89/23/1079788923.db2.gz YKIMGFHTKQCDQN-QRVBRYPASA-N 1 0 424.586 2.576 20 0 HFADRO COC(=O)[C@]1(NC(=O)[C@@H](OC)c2ccc(F)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130661482 1079808804 /nfs/dbraw/zinc/80/88/04/1079808804.db2.gz YZOXISQOPZTFOS-REWPJTCUSA-N 1 0 414.477 2.837 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC001170510328 1079814661 /nfs/dbraw/zinc/81/46/61/1079814661.db2.gz UAXUTNBDHCONDL-MPKXVKKWSA-N 1 0 402.310 2.599 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000806593600 1079837195 /nfs/dbraw/zinc/83/71/95/1079837195.db2.gz KJHBIHOJWQNQHL-KRWDZBQOSA-N 1 0 420.985 2.897 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000806600665 1079844064 /nfs/dbraw/zinc/84/40/64/1079844064.db2.gz XGFHNWHBCCQGNI-LJQANCHMSA-N 1 0 404.580 2.736 20 0 HFADRO CC(C)Cc1ccc([C@@H](CNC(=S)NCCCN2CCOCC2)[NH+](C)C)cc1 ZINC000806603094 1079844635 /nfs/dbraw/zinc/84/46/35/1079844635.db2.gz GKKUBWPMOPVDTA-OAQYLSRUSA-N 1 0 406.640 2.674 20 0 HFADRO CC[N@H+](CCC1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC1)CC1CC1 ZINC000806604332 1079845422 /nfs/dbraw/zinc/84/54/22/1079845422.db2.gz SKEZRNUHWHXDNJ-UHFFFAOYSA-N 1 0 420.985 2.754 20 0 HFADRO C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000806658364 1079876767 /nfs/dbraw/zinc/87/67/67/1079876767.db2.gz SAFFAQJSIRSVEK-QFBILLFUSA-N 1 0 407.356 2.915 20 0 HFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000806658367 1079876850 /nfs/dbraw/zinc/87/68/50/1079876850.db2.gz SAFFAQJSIRSVEK-VQIMIIECSA-N 1 0 407.356 2.915 20 0 HFADRO CCN(C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806727945 1079952373 /nfs/dbraw/zinc/95/23/73/1079952373.db2.gz GCVUTIQMCIITTM-JOCHJYFZSA-N 1 0 423.557 2.653 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000806731556 1079956287 /nfs/dbraw/zinc/95/62/87/1079956287.db2.gz GXJKNGSYYKTQRM-FQEVSTJZSA-N 1 0 415.578 2.645 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806735635 1079960895 /nfs/dbraw/zinc/96/08/95/1079960895.db2.gz ATKVMCMMGFRPAS-ZLNRFVROSA-N 1 0 409.530 2.795 20 0 HFADRO Cc1ccc(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c(Cl)n1 ZINC000806734914 1079961456 /nfs/dbraw/zinc/96/14/56/1079961456.db2.gz PUEIMLFVEIWIBV-KRWDZBQOSA-N 1 0 400.910 2.922 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000806761059 1079979889 /nfs/dbraw/zinc/97/98/89/1079979889.db2.gz XUARKTHGLCASIR-IEBWSBKVSA-N 1 0 420.554 2.997 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000806740971 1079995975 /nfs/dbraw/zinc/99/59/75/1079995975.db2.gz VXHLEHIXEMTXRO-QHCPKHFHSA-N 1 0 411.546 2.739 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000806786053 1080008901 /nfs/dbraw/zinc/00/89/01/1080008901.db2.gz GRIXVSRTMNYXBL-LJQANCHMSA-N 1 0 418.538 2.581 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000806788333 1080009658 /nfs/dbraw/zinc/00/96/58/1080009658.db2.gz UBQMENLTZZYYSC-SJLPKXTDSA-N 1 0 404.580 2.858 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000806812424 1080025182 /nfs/dbraw/zinc/02/51/82/1080025182.db2.gz JOKPQXFBHMZZRE-HKUYNNGSSA-N 1 0 420.554 2.997 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCCN(c2ccccc2F)CC1 ZINC000806814354 1080027113 /nfs/dbraw/zinc/02/71/13/1080027113.db2.gz OTINRSZFASBILG-IBGZPJMESA-N 1 0 404.530 2.691 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806814614 1080027121 /nfs/dbraw/zinc/02/71/21/1080027121.db2.gz SHSOGJAOSNVCAM-UXHICEINSA-N 1 0 424.586 2.720 20 0 HFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2c(C)nc(C(C)C)[nH]c2=O)CC1 ZINC000747358895 1080051533 /nfs/dbraw/zinc/05/15/33/1080051533.db2.gz LAAIDASDBWRTPX-UHFFFAOYSA-N 1 0 411.550 2.682 20 0 HFADRO C[C@@H]([NH2+]C1(CNC(=O)c2cnc(C3OCCO3)s2)CCOCC1)c1ccccc1 ZINC000806855192 1080060253 /nfs/dbraw/zinc/06/02/53/1080060253.db2.gz BUEAKOLTMUBUGA-OAHLLOKOSA-N 1 0 417.531 2.818 20 0 HFADRO C[C@@H](CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000806865123 1080067104 /nfs/dbraw/zinc/06/71/04/1080067104.db2.gz PRGUFJSAOCQJCE-XUZZJYLKSA-N 1 0 424.589 2.815 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000806917379 1080087379 /nfs/dbraw/zinc/08/73/79/1080087379.db2.gz RMOBYBUDFQQNEV-YSIASYRMSA-N 1 0 402.539 2.817 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1cccs1 ZINC000806923284 1080091393 /nfs/dbraw/zinc/09/13/93/1080091393.db2.gz GQTBPSXYHRMEST-IPYPFGDCSA-N 1 0 403.470 2.801 20 0 HFADRO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000806924153 1080093196 /nfs/dbraw/zinc/09/31/96/1080093196.db2.gz RDTBBGNJDOVUNY-SFHVURJKSA-N 1 0 409.530 2.976 20 0 HFADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)c1ccc(Cl)cc1 ZINC000806925477 1080093722 /nfs/dbraw/zinc/09/37/22/1080093722.db2.gz FSBMWTJRCKJWQW-GOSISDBHSA-N 1 0 403.910 2.925 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000806890973 1080099006 /nfs/dbraw/zinc/09/90/06/1080099006.db2.gz GDNBCROSVZQKFM-QGZVFWFLSA-N 1 0 408.543 2.900 20 0 HFADRO CCOC(=O)C1=C(Nc2cc(-c3nnc(-c4ccno4)o3)cc(Cl)n2)CC[NH2+]C1 ZINC001170514240 1080151659 /nfs/dbraw/zinc/15/16/59/1080151659.db2.gz XMEALBDKCOYPRR-UHFFFAOYSA-N 1 0 416.825 2.662 20 0 HFADRO C[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806980816 1080189598 /nfs/dbraw/zinc/18/95/98/1080189598.db2.gz VTFHXXYYCVETIR-KRWDZBQOSA-N 1 0 409.571 2.593 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000807007730 1080206282 /nfs/dbraw/zinc/20/62/82/1080206282.db2.gz MRMKGFPJRGXRAF-LPHOPBHVSA-N 1 0 403.527 2.527 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000807007907 1080206330 /nfs/dbraw/zinc/20/63/30/1080206330.db2.gz RTUUXBWANGQCCG-XLIONFOSSA-N 1 0 417.554 2.917 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000807027086 1080222004 /nfs/dbraw/zinc/22/20/04/1080222004.db2.gz NUBMTYGJCWLTKD-MRXNPFEDSA-N 1 0 423.989 2.765 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000807088375 1080267163 /nfs/dbraw/zinc/26/71/63/1080267163.db2.gz AFTGEOKISSSQRK-LQWHRVPQSA-N 1 0 401.551 2.507 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089567 1080267680 /nfs/dbraw/zinc/26/76/80/1080267680.db2.gz HSYVEITZNQVFFE-KNQAVFIVSA-N 1 0 415.578 2.755 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807092159 1080272367 /nfs/dbraw/zinc/27/23/67/1080272367.db2.gz SVKZDPGOXXLNPU-PMACEKPBSA-N 1 0 401.551 2.507 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000807112661 1080289830 /nfs/dbraw/zinc/28/98/30/1080289830.db2.gz ACVAVLQGFCNZBG-VQIMIIECSA-N 1 0 414.937 2.720 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000807112658 1080290012 /nfs/dbraw/zinc/29/00/12/1080290012.db2.gz ACVAVLQGFCNZBG-APWZRJJASA-N 1 0 414.937 2.720 20 0 HFADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000807113518 1080290925 /nfs/dbraw/zinc/29/09/25/1080290925.db2.gz FDAVEZYFNBVHIL-ZAWLATJESA-N 1 0 403.592 2.660 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NC[C@H]2CCc3ccccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000807116922 1080292602 /nfs/dbraw/zinc/29/26/02/1080292602.db2.gz RALNIWRUOJIVOI-LVXARBLLSA-N 1 0 419.569 2.936 20 0 HFADRO C[C@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807117162 1080293480 /nfs/dbraw/zinc/29/34/80/1080293480.db2.gz UWRFZIZTNCQJKH-MAUKXSAKSA-N 1 0 417.554 2.663 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000807119231 1080294893 /nfs/dbraw/zinc/29/48/93/1080294893.db2.gz OYJIGHKXCWCHEL-NRFANRHFSA-N 1 0 407.558 2.541 20 0 HFADRO CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000807149631 1080307031 /nfs/dbraw/zinc/30/70/31/1080307031.db2.gz FVHOGSOSOBWCJS-HNAYVOBHSA-N 1 0 408.518 2.985 20 0 HFADRO CCOC(=O)N1CCC([C@@H](C)NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000807150495 1080309117 /nfs/dbraw/zinc/30/91/17/1080309117.db2.gz SKYFRFOGNSZVEO-QGZVFWFLSA-N 1 0 402.539 2.769 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000807162813 1080319549 /nfs/dbraw/zinc/31/95/49/1080319549.db2.gz AUSFAWXRISRDOM-HXUWFJFHSA-N 1 0 404.555 2.943 20 0 HFADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C12CCCC2 ZINC000807198644 1080347878 /nfs/dbraw/zinc/34/78/78/1080347878.db2.gz MNPAAHJWDFFPFB-WOJBJXKFSA-N 1 0 401.551 2.561 20 0 HFADRO CCOC(=O)N1CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000807256609 1080461091 /nfs/dbraw/zinc/46/10/91/1080461091.db2.gz YGKXPFVWAVBZIP-UHFFFAOYSA-N 1 0 418.538 2.533 20 0 HFADRO Cc1cccc(CCCNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)n1 ZINC000807293406 1080483487 /nfs/dbraw/zinc/48/34/87/1080483487.db2.gz WFYNWEWWFQYWEF-UHFFFAOYSA-N 1 0 423.561 2.608 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCCC[C@H]3c3cc[nH]n3)cc2)CC1 ZINC000807304585 1080498234 /nfs/dbraw/zinc/49/82/34/1080498234.db2.gz LFJBJNXTMBEWHF-NRFANRHFSA-N 1 0 424.549 2.632 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1ccco1 ZINC000807310998 1080503999 /nfs/dbraw/zinc/50/39/99/1080503999.db2.gz XDCKBTIMMSYCFF-WCQYABFASA-N 1 0 409.284 2.621 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cc(NC(C)=O)c(F)cc1F)c1ccco1 ZINC000807310525 1080504840 /nfs/dbraw/zinc/50/48/40/1080504840.db2.gz LLTZPFIQCAAKNJ-PIGZYNQJSA-N 1 0 422.432 2.700 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cc(NC(C)=O)c(F)cc1F)c1ccco1 ZINC000807310524 1080504936 /nfs/dbraw/zinc/50/49/36/1080504936.db2.gz LLTZPFIQCAAKNJ-GTNSWQLSSA-N 1 0 422.432 2.700 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1)c1ccco1 ZINC000807312066 1080505304 /nfs/dbraw/zinc/50/53/04/1080505304.db2.gz JWTLQGADCKUIKJ-XJKSGUPXSA-N 1 0 402.451 2.642 20 0 HFADRO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000807354121 1080514861 /nfs/dbraw/zinc/51/48/61/1080514861.db2.gz FVCQZYBEPMZWKW-WBVHZDCISA-N 1 0 401.507 2.620 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000807358901 1080520488 /nfs/dbraw/zinc/52/04/88/1080520488.db2.gz MOWPYZUVCYVZJJ-IBGZPJMESA-N 1 0 416.566 2.575 20 0 HFADRO C[C@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000807394103 1080560475 /nfs/dbraw/zinc/56/04/75/1080560475.db2.gz ZHTVZPYRYFCIEU-PGRDOPGGSA-N 1 0 406.530 2.987 20 0 HFADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)no1 ZINC000807413073 1080609747 /nfs/dbraw/zinc/60/97/47/1080609747.db2.gz BBKUUIDCAMRCEO-UHFFFAOYSA-N 1 0 411.462 2.557 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000807413878 1080611873 /nfs/dbraw/zinc/61/18/73/1080611873.db2.gz YFBCMVOTYZUCBG-UHFFFAOYSA-N 1 0 412.462 2.908 20 0 HFADRO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(F)(F)Br)cc2)CC1 ZINC000807445818 1080623672 /nfs/dbraw/zinc/62/36/72/1080623672.db2.gz AXKMBPQIBAUIBM-UHFFFAOYSA-N 1 0 418.282 2.961 20 0 HFADRO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)NC(=O)OC(C)(C)C ZINC000807448195 1080626854 /nfs/dbraw/zinc/62/68/54/1080626854.db2.gz IDGGALZVPBXJEI-INIZCTEOSA-N 1 0 415.538 2.755 20 0 HFADRO COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc(OC)c1C(C)C ZINC000807453297 1080632860 /nfs/dbraw/zinc/63/28/60/1080632860.db2.gz JEOXUTMKEOEBFE-RDJZCZTQSA-N 1 0 403.523 2.851 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807453539 1080634629 /nfs/dbraw/zinc/63/46/29/1080634629.db2.gz OJXFTNXNWKJLFE-HNAYVOBHSA-N 1 0 420.504 2.979 20 0 HFADRO CCS(=O)(=O)c1cccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170525159 1080643634 /nfs/dbraw/zinc/64/36/34/1080643634.db2.gz IDCPRMFFHDZRNQ-UHFFFAOYSA-N 1 0 412.559 2.785 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000807441118 1080661810 /nfs/dbraw/zinc/66/18/10/1080661810.db2.gz AGJJHTUNYIOYPT-OGHNNQOOSA-N 1 0 405.417 2.846 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccco1 ZINC000807444851 1080665459 /nfs/dbraw/zinc/66/54/59/1080665459.db2.gz KHVDUTHEEJAITJ-ZFWWWQNUSA-N 1 0 418.460 2.809 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC000807486563 1080670494 /nfs/dbraw/zinc/67/04/94/1080670494.db2.gz JFIVRPHEFQHROH-JTQLQIEISA-N 1 0 419.325 2.879 20 0 HFADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000807488179 1080673715 /nfs/dbraw/zinc/67/37/15/1080673715.db2.gz TVIVBXOUJFVSPO-SFHVURJKSA-N 1 0 423.435 2.598 20 0 HFADRO Cc1ccc(C2=CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)CC2)cc1 ZINC000807513427 1080719601 /nfs/dbraw/zinc/71/96/01/1080719601.db2.gz BIJSPHUMPFCERI-FRIKZZABSA-N 1 0 410.562 2.877 20 0 HFADRO Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000807480877 1080736139 /nfs/dbraw/zinc/73/61/39/1080736139.db2.gz ZATUIYDBPRIIPD-UHFFFAOYSA-N 1 0 424.549 2.797 20 0 HFADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)no1 ZINC000807542890 1080759353 /nfs/dbraw/zinc/75/93/53/1080759353.db2.gz GJTFUEMRPZABPH-KXBFYZLASA-N 1 0 419.485 2.763 20 0 HFADRO CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543972 1080759928 /nfs/dbraw/zinc/75/99/28/1080759928.db2.gz PEMTXFOYQOQRSZ-DYESRHJHSA-N 1 0 423.513 2.971 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000807544743 1080761379 /nfs/dbraw/zinc/76/13/79/1080761379.db2.gz ZWCDEJFDHURVDB-KXBFYZLASA-N 1 0 410.474 2.583 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000747404898 1080786823 /nfs/dbraw/zinc/78/68/23/1080786823.db2.gz JANKKHFUVRVAOO-CRAIPNDOSA-N 1 0 417.579 2.821 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807553221 1080802584 /nfs/dbraw/zinc/80/25/84/1080802584.db2.gz GYQCFGSPDCACHC-XMSQKQJNSA-N 1 0 424.586 2.672 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554377 1080803249 /nfs/dbraw/zinc/80/32/49/1080803249.db2.gz TWRHDXLVJYLNTC-JBYIUTFZSA-N 1 0 424.586 2.528 20 0 HFADRO COC[C@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000807554638 1080805577 /nfs/dbraw/zinc/80/55/77/1080805577.db2.gz YPKNCUMKKXEXIJ-XSHPBHPISA-N 1 0 424.586 2.669 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000807557446 1080807655 /nfs/dbraw/zinc/80/76/55/1080807655.db2.gz BHFREHBRDDKTLG-KSSFIOAISA-N 1 0 420.966 2.920 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000807557448 1080807686 /nfs/dbraw/zinc/80/76/86/1080807686.db2.gz BHFREHBRDDKTLG-RDTXWAMCSA-N 1 0 420.966 2.920 20 0 HFADRO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000438353633 1126093354 /nfs/dbraw/zinc/09/33/54/1126093354.db2.gz KAFZJAMZIYEVIU-FQEVSTJZSA-N 1 0 404.938 2.744 20 0 HFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC001183146161 1126153336 /nfs/dbraw/zinc/15/33/36/1126153336.db2.gz QFAOBMPMJWKLIS-IBGZPJMESA-N 1 0 405.292 2.863 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1OC ZINC001203581373 1126159057 /nfs/dbraw/zinc/15/90/57/1126159057.db2.gz LXIDIIQOLOMOOW-NZQKXSOJSA-N 1 0 401.503 2.955 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC001460696797 1126191947 /nfs/dbraw/zinc/19/19/47/1126191947.db2.gz QGZJADJWIIMUQY-QZTJIDSGSA-N 1 0 416.465 2.561 20 0 HFADRO O=C1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC2(CC[NH2+]CC2)N1 ZINC001164392278 718809381 /nfs/dbraw/zinc/80/93/81/718809381.db2.gz ZWVSWFUOJNISHN-UHFFFAOYSA-N 1 0 416.259 2.540 20 0 HFADRO C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164389434 718824883 /nfs/dbraw/zinc/82/48/83/718824883.db2.gz IIIBMZNALAPJRX-IRXDYDNUSA-N 1 0 413.591 2.733 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001164389856 718825242 /nfs/dbraw/zinc/82/52/42/718825242.db2.gz JYWSOFKHKPZILV-ROUUACIJSA-N 1 0 409.559 2.987 20 0 HFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@H]3C[NH2+]CC[C@H]3C2)n1 ZINC001164406475 718864390 /nfs/dbraw/zinc/86/43/90/718864390.db2.gz GYWAUIXVIOBRBU-IRXDYDNUSA-N 1 0 403.596 2.965 20 0 HFADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCNC(=O)C34C[NH2+]C4)c(Cl)nn2)cc1 ZINC001164415048 718879359 /nfs/dbraw/zinc/87/93/59/718879359.db2.gz ZPMQAHPAQXVVSZ-UHFFFAOYSA-N 1 0 421.879 2.744 20 0 HFADRO FC(F)(c1nc2ccccc2nc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415576 718885121 /nfs/dbraw/zinc/88/51/21/718885121.db2.gz LLIINULBGLZYBP-UHFFFAOYSA-N 1 0 405.840 2.519 20 0 HFADRO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424461 718915407 /nfs/dbraw/zinc/91/54/07/718915407.db2.gz NSEJYMJMHWRHQH-LJQANCHMSA-N 1 0 424.879 2.927 20 0 HFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164423265 718940968 /nfs/dbraw/zinc/94/09/68/718940968.db2.gz FWTVVYJWUDSYRO-JKSUJKDBSA-N 1 0 421.879 2.587 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164617385 719007390 /nfs/dbraw/zinc/00/73/90/719007390.db2.gz NTEKZLNCTRVLTH-UGSOOPFHSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nccnc1Cl)C2 ZINC001164616607 719009917 /nfs/dbraw/zinc/00/99/17/719009917.db2.gz LEKAFGJAUQIYGL-SCLBCKFNSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164615369 719013745 /nfs/dbraw/zinc/01/37/45/719013745.db2.gz IMIYUCWBWBFXGI-XDTLVQLUSA-N 1 0 414.815 2.697 20 0 HFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164615364 719013760 /nfs/dbraw/zinc/01/37/60/719013760.db2.gz IMIYUCWBWBFXGI-JIMOISOXSA-N 1 0 414.815 2.697 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nnc(Cl)c4ccncc43)CC2)CC1 ZINC001164614738 719022673 /nfs/dbraw/zinc/02/26/73/719022673.db2.gz XOLYIWCTFXGDAM-UHFFFAOYSA-N 1 0 403.914 2.922 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)NC(C)(C)C)ccn3)CC2)CC1 ZINC001164617556 719030097 /nfs/dbraw/zinc/03/00/97/719030097.db2.gz OJRYPYGWIMEOJU-UHFFFAOYSA-N 1 0 416.566 2.854 20 0 HFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164622347 719047962 /nfs/dbraw/zinc/04/79/62/719047962.db2.gz KPVCOSMUJPBBCM-DNVCBOLYSA-N 1 0 406.864 2.962 20 0 HFADRO O=C(c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1)N1CCOCC1 ZINC001164619601 719056883 /nfs/dbraw/zinc/05/68/83/719056883.db2.gz CXHYGIYDMLDUFI-FCHUYYIVSA-N 1 0 406.530 2.655 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164643610 719217735 /nfs/dbraw/zinc/21/77/35/719217735.db2.gz ZPIKZRRSUGIPLL-WOJBJXKFSA-N 1 0 407.562 2.568 20 0 HFADRO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164683389 719693523 /nfs/dbraw/zinc/69/35/23/719693523.db2.gz FUVDLFAVOLFYNW-HNNXBMFYSA-N 1 0 417.941 2.990 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164689817 719742522 /nfs/dbraw/zinc/74/25/22/719742522.db2.gz KDMXZGYIALVYHB-UHFFFAOYSA-N 1 0 422.558 2.934 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(Cl)nc2C(N)=O)CC3)cs1 ZINC001164692993 719810384 /nfs/dbraw/zinc/81/03/84/719810384.db2.gz OPVKPFVYTUAGAI-UHFFFAOYSA-N 1 0 406.943 2.629 20 0 HFADRO Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694911 719890802 /nfs/dbraw/zinc/89/08/02/719890802.db2.gz GYRNJKLKUTXVQD-UHFFFAOYSA-N 1 0 418.954 2.950 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164710073 720096455 /nfs/dbraw/zinc/09/64/55/720096455.db2.gz GQOWDVGINLKEJF-LJQANCHMSA-N 1 0 410.518 2.771 20 0 HFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2[nH]1 ZINC001164809058 720103091 /nfs/dbraw/zinc/10/30/91/720103091.db2.gz GNPGGEZWSISTAF-JPYJTQIMSA-N 1 0 412.534 2.924 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N(C)C)cn1)CC2 ZINC001164714293 720112504 /nfs/dbraw/zinc/11/25/04/720112504.db2.gz BOWCDUYQHKAJOD-NRFANRHFSA-N 1 0 423.561 2.686 20 0 HFADRO COCc1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(C)n1 ZINC001164718004 720113756 /nfs/dbraw/zinc/11/37/56/720113756.db2.gz PXWPYATZELQUNH-NRFANRHFSA-N 1 0 411.550 2.834 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cccnc3n1)CC2 ZINC001164717454 720121702 /nfs/dbraw/zinc/12/17/02/720121702.db2.gz PCQNXTMXYAWHPP-FQEVSTJZSA-N 1 0 404.518 2.927 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3[nH]c(C)nc3n1)CC2 ZINC001164713103 720130244 /nfs/dbraw/zinc/13/02/44/720130244.db2.gz QYOHZPYJFIXKQF-GOSISDBHSA-N 1 0 407.522 2.515 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3onc(C)c31)CC2 ZINC001164711729 720150725 /nfs/dbraw/zinc/15/07/25/720150725.db2.gz INHFQZNFFDRULD-SFHVURJKSA-N 1 0 408.506 2.829 20 0 HFADRO Cc1cc2ccccc2nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719233 720174126 /nfs/dbraw/zinc/17/41/26/720174126.db2.gz VFJDDLWIGSORTM-OAQYLSRUSA-N 1 0 406.534 2.888 20 0 HFADRO COc1ccc2cnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)cc2c1 ZINC001164717171 720190151 /nfs/dbraw/zinc/19/01/51/720190151.db2.gz UAHAAHZYGLISQT-OAQYLSRUSA-N 1 0 422.533 2.588 20 0 HFADRO Cn1nnc2c1CCN(c1ccc3cccc(F)c3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713995 720193032 /nfs/dbraw/zinc/19/30/32/720193032.db2.gz FNTRVLUFGMPTLE-IBGZPJMESA-N 1 0 410.497 2.719 20 0 HFADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(-c2ccccn2)n1 ZINC001164813222 720234592 /nfs/dbraw/zinc/23/45/92/720234592.db2.gz LMQCPRBWUBNSBI-UHFFFAOYSA-N 1 0 419.533 2.654 20 0 HFADRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(-c2ccncc2)n1 ZINC001164813393 720234901 /nfs/dbraw/zinc/23/49/01/720234901.db2.gz NUCVONPTCFXAPQ-UHFFFAOYSA-N 1 0 419.533 2.654 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3ncccc32)CC1 ZINC001164819581 720301524 /nfs/dbraw/zinc/30/15/24/720301524.db2.gz DLGKPCLYWZFIHK-IAGOWNOFSA-N 1 0 414.941 2.590 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164821622 720308863 /nfs/dbraw/zinc/30/88/63/720308863.db2.gz LLUAMECRRAKQHR-HOTGVXAUSA-N 1 0 416.957 2.831 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cl)c3c2CCCC3)CC1 ZINC001164821669 720314346 /nfs/dbraw/zinc/31/43/46/720314346.db2.gz LXCNROJBYZGNDG-MOPGFXCFSA-N 1 0 417.985 2.920 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(OC(C)(C)C)n2)CC1 ZINC001164830914 720320606 /nfs/dbraw/zinc/32/06/06/720320606.db2.gz QMPPZCFPOXEKQD-ZWKOTPCHSA-N 1 0 401.555 2.565 20 0 HFADRO COc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc21 ZINC001164823248 720324255 /nfs/dbraw/zinc/32/42/55/720324255.db2.gz ACYKYFXLQSPBEY-UXHICEINSA-N 1 0 409.534 2.550 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164823917 720335198 /nfs/dbraw/zinc/33/51/98/720335198.db2.gz BROXFHOXWKMLPT-DLBZAZTESA-N 1 0 419.957 2.693 20 0 HFADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccncc2)n1 ZINC001164822754 720336508 /nfs/dbraw/zinc/33/65/08/720336508.db2.gz FDUMRHOLRAQNAI-SFTDATJTSA-N 1 0 420.561 2.759 20 0 HFADRO CCCSc1cncc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164821557 720343974 /nfs/dbraw/zinc/34/39/74/720343974.db2.gz AWVCVIIHAFCYQV-ZWKOTPCHSA-N 1 0 403.596 2.890 20 0 HFADRO COc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734461 720431326 /nfs/dbraw/zinc/43/13/26/720431326.db2.gz SFKNZKBPEWOWHZ-RBUKOAKNSA-N 1 0 409.538 2.509 20 0 HFADRO Cc1cc2ccccc2c(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)[nH+]1 ZINC001164831749 720462370 /nfs/dbraw/zinc/46/23/70/720462370.db2.gz PHQSILXTNGFJQR-FQEVSTJZSA-N 1 0 421.545 2.729 20 0 HFADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C(=O)OCC ZINC001164722471 720484108 /nfs/dbraw/zinc/48/41/08/720484108.db2.gz AUGNSJSYWYUDOC-RTBURBONSA-N 1 0 424.501 2.683 20 0 HFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1 ZINC001164726182 720517436 /nfs/dbraw/zinc/51/74/36/720517436.db2.gz BGSIFIHIMRMPGI-HNNXBMFYSA-N 1 0 404.946 2.612 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(F)cc3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834748 720522948 /nfs/dbraw/zinc/52/29/48/720522948.db2.gz HLIABADHFZVABA-JKIFEVAISA-N 1 0 420.920 2.547 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc(C(=O)NC3CCCC3)cc2Cl)C1 ZINC001164733839 720525969 /nfs/dbraw/zinc/52/59/69/720525969.db2.gz LWHCNIZNPPHGBH-HNNXBMFYSA-N 1 0 416.957 2.802 20 0 HFADRO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2[nH]1 ZINC001164841313 720526584 /nfs/dbraw/zinc/52/65/84/720526584.db2.gz YFVSIGMMFYQHDQ-OWCLPIDISA-N 1 0 414.945 2.889 20 0 HFADRO CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836820 720562074 /nfs/dbraw/zinc/56/20/74/720562074.db2.gz LGBTWRIVXALKGH-IPMKNSEASA-N 1 0 412.586 2.635 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728083 720571906 /nfs/dbraw/zinc/57/19/06/720571906.db2.gz IYLHJVXPHZQMEH-UHFFFAOYSA-N 1 0 405.502 2.876 20 0 HFADRO CCOC(=O)c1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1Cl ZINC001164736499 720576906 /nfs/dbraw/zinc/57/69/06/720576906.db2.gz MBMZRXYUFQEMBC-UHFFFAOYSA-N 1 0 403.914 2.767 20 0 HFADRO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164837157 720610261 /nfs/dbraw/zinc/61/02/61/720610261.db2.gz HHOJFJLNCBUQPB-QHAWAJNXSA-N 1 0 410.566 2.796 20 0 HFADRO Fc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738991 720667911 /nfs/dbraw/zinc/66/79/11/720667911.db2.gz LWMCPIZPCJNOPM-CHWSQXEVSA-N 1 0 400.845 2.554 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(n1)OCC(=O)N3)CC2 ZINC001164843378 720691009 /nfs/dbraw/zinc/69/10/09/720691009.db2.gz OXTBCXSPEDLYCC-GOSISDBHSA-N 1 0 408.502 2.672 20 0 HFADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742040 720697056 /nfs/dbraw/zinc/69/70/56/720697056.db2.gz VMOJGFPXNXVFEB-QWHCGFSZSA-N 1 0 420.851 2.893 20 0 HFADRO Clc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164741491 720698844 /nfs/dbraw/zinc/69/88/44/720698844.db2.gz TZHGERYYYDETRI-IRXDYDNUSA-N 1 0 408.893 2.929 20 0 HFADRO CON(C)C(=O)c1cccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836452 720702508 /nfs/dbraw/zinc/70/25/08/720702508.db2.gz ATXVARBDFAIGEN-HXUWFJFHSA-N 1 0 424.545 2.975 20 0 HFADRO c1cn(C2CCCC2)c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164737799 720709221 /nfs/dbraw/zinc/70/92/21/720709221.db2.gz GYFPNEIXKFYXQV-QZTJIDSGSA-N 1 0 405.506 2.678 20 0 HFADRO Cc1cc2c(c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n1)C(=O)NC2=O ZINC001164842317 720710362 /nfs/dbraw/zinc/71/03/62/720710362.db2.gz YFISIWMOEXNVTM-SFHVURJKSA-N 1 0 420.513 2.534 20 0 HFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737170 720727024 /nfs/dbraw/zinc/72/70/24/720727024.db2.gz AJBREFAWMFIZCD-MSOLQXFVSA-N 1 0 419.485 2.543 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164838704 720729440 /nfs/dbraw/zinc/72/94/40/720729440.db2.gz YASHSRWXIWTPHP-IBGZPJMESA-N 1 0 421.545 2.713 20 0 HFADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744089 720757346 /nfs/dbraw/zinc/75/73/46/720757346.db2.gz RDSNKIVVDWITIX-LSDHHAIUSA-N 1 0 402.930 2.868 20 0 HFADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744083 720757390 /nfs/dbraw/zinc/75/73/90/720757390.db2.gz RDSNKIVVDWITIX-HUUCEWRRSA-N 1 0 402.930 2.868 20 0 HFADRO Fc1ccc2nc(C(F)F)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744223 720800257 /nfs/dbraw/zinc/80/02/57/720800257.db2.gz IBYDIQUZSRVCIW-KGLIPLIRSA-N 1 0 416.407 2.838 20 0 HFADRO FC(F)(N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164740883 720804853 /nfs/dbraw/zinc/80/48/53/720804853.db2.gz AQNPXEBPPQJNHW-CVEARBPZSA-N 1 0 421.879 2.987 20 0 HFADRO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744189 720808349 /nfs/dbraw/zinc/80/83/49/720808349.db2.gz HWQYJONMCWHPGC-HRCADAONSA-N 1 0 423.899 2.646 20 0 HFADRO Clc1nc2cc[nH]c2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744140 720808937 /nfs/dbraw/zinc/80/89/37/720808937.db2.gz HLCDQDTUKSZGQO-YQQAZPJKSA-N 1 0 412.929 2.582 20 0 HFADRO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743346 720814443 /nfs/dbraw/zinc/81/44/43/720814443.db2.gz FGDPWKDWMXXHDP-DJPFJPOOSA-N 1 0 407.497 2.740 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744492 720831311 /nfs/dbraw/zinc/83/13/11/720831311.db2.gz URGGQPSQXJQYKJ-HRCADAONSA-N 1 0 419.986 2.823 20 0 HFADRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)c1Cl ZINC001164749420 720834613 /nfs/dbraw/zinc/83/46/13/720834613.db2.gz VUSLWPLIEBUVER-OKZBNKHCSA-N 1 0 401.946 2.718 20 0 HFADRO COc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164744748 720849212 /nfs/dbraw/zinc/84/92/12/720849212.db2.gz LPBXQASSUNIXSI-NLWGTHIKSA-N 1 0 419.533 2.609 20 0 HFADRO COc1ccnc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751162 720854748 /nfs/dbraw/zinc/85/47/48/720854748.db2.gz QMPGCVNHMSLMSU-IXDOHACOSA-N 1 0 402.930 2.715 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@H]2C1 ZINC001164851562 720855547 /nfs/dbraw/zinc/85/55/47/720855547.db2.gz AYYCMPNCVVDNMV-BBRMVZONSA-N 1 0 414.884 2.935 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164864958 720874450 /nfs/dbraw/zinc/87/44/50/720874450.db2.gz XOEDGYDCHAJDFL-DOTOQJQBSA-N 1 0 402.564 2.662 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC[C@@H]2C1 ZINC001164864704 720877708 /nfs/dbraw/zinc/87/77/08/720877708.db2.gz WOUPVBHLSWPDCS-MOPGFXCFSA-N 1 0 423.517 2.767 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@H]2C1 ZINC001164853372 720877987 /nfs/dbraw/zinc/87/79/87/720877987.db2.gz CCTHBWZFDQPFAS-WMLDXEAASA-N 1 0 416.900 2.726 20 0 HFADRO COc1cncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749953 720880915 /nfs/dbraw/zinc/88/09/15/720880915.db2.gz IEHWEPJXVULDCA-OFNKIYASSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164857412 720885499 /nfs/dbraw/zinc/88/54/99/720885499.db2.gz JNAJPLJGENMEIV-WOJBJXKFSA-N 1 0 414.575 2.942 20 0 HFADRO COCc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755947 720886986 /nfs/dbraw/zinc/88/69/86/720886986.db2.gz NQIJYVMVALEGNW-QPPBQGQZSA-N 1 0 423.561 2.773 20 0 HFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870892 721049133 /nfs/dbraw/zinc/04/91/33/721049133.db2.gz XEBDEMGDDNXALH-HOTGVXAUSA-N 1 0 409.868 2.858 20 0 HFADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CCCCC1 ZINC001164869510 721050225 /nfs/dbraw/zinc/05/02/25/721050225.db2.gz TZZALWXPSYPRFP-RTWAWAEBSA-N 1 0 421.545 2.582 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CSC2 ZINC001164866242 721069907 /nfs/dbraw/zinc/06/99/07/721069907.db2.gz DALFYFWIGOTQKY-GJZGRUSLSA-N 1 0 403.939 2.752 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164762505 721070589 /nfs/dbraw/zinc/07/05/89/721070589.db2.gz FDHBFXMFBURIBS-DOTOQJQBSA-N 1 0 403.914 2.604 20 0 HFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164863807 721093842 /nfs/dbraw/zinc/09/38/42/721093842.db2.gz DHRILTNJKYUJMJ-QZTJIDSGSA-N 1 0 416.909 2.786 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765656 721108694 /nfs/dbraw/zinc/10/86/94/721108694.db2.gz JYNIDVQMRGTITF-ROUUACIJSA-N 1 0 409.925 2.884 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164771348 721126755 /nfs/dbraw/zinc/12/67/55/721126755.db2.gz SGQVHTKMCLSLEA-IRXDYDNUSA-N 1 0 417.941 2.912 20 0 HFADRO COc1cc2c(cc1Cl)ncnc2N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164768982 721137689 /nfs/dbraw/zinc/13/76/89/721137689.db2.gz OOTFLMHHBBHPPL-HZPDHXFCSA-N 1 0 412.925 2.984 20 0 HFADRO COc1cccc(Oc2cncc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164765083 721169577 /nfs/dbraw/zinc/16/95/77/721169577.db2.gz HRIWUMAQJDNHTM-OALUTQOASA-N 1 0 420.517 2.969 20 0 HFADRO CSc1nc2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2s1 ZINC001164765015 721169944 /nfs/dbraw/zinc/16/99/44/721169944.db2.gz HLGFGRDFHACLJZ-KGLIPLIRSA-N 1 0 401.565 2.500 20 0 HFADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@@H+]3C2)c1 ZINC001164877023 721176242 /nfs/dbraw/zinc/17/62/42/721176242.db2.gz NYRYRBCZNHKSTJ-VQTJNVASSA-N 1 0 418.501 2.884 20 0 HFADRO COC(=O)c1cc(Cl)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164873671 721182727 /nfs/dbraw/zinc/18/27/27/721182727.db2.gz JWRAIRQWAPNGLO-SJORKVTESA-N 1 0 416.909 2.705 20 0 HFADRO COc1cc(OC)c2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868749 721188637 /nfs/dbraw/zinc/18/86/37/721188637.db2.gz NOWDVFSZWSROHH-PKOBYXMFSA-N 1 0 421.501 2.522 20 0 HFADRO CC1CCN(C(=O)c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2)CC1 ZINC001164766990 721198031 /nfs/dbraw/zinc/19/80/31/721198031.db2.gz JVEMCBCTVWTSQQ-FCHUYYIVSA-N 1 0 422.577 2.646 20 0 HFADRO CC(C)c1noc(-c2ccnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2)n1 ZINC001164773825 721223944 /nfs/dbraw/zinc/22/39/44/721223944.db2.gz XFGKEVMIBUPZMX-RTBURBONSA-N 1 0 407.522 2.947 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@H]3C2)cn1 ZINC001164761521 721245723 /nfs/dbraw/zinc/24/57/23/721245723.db2.gz JHOYFEMBFDCYFP-JKSUJKDBSA-N 1 0 405.481 2.942 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc4ccc(Cl)cc43)CC2)C1 ZINC001164869330 721269949 /nfs/dbraw/zinc/26/99/49/721269949.db2.gz KIBWJKZHKDVCAB-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO C[N@H+](Cc1ccc(N2C[C@@H]3OCCN(C(=O)c4ccccc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164890177 721351939 /nfs/dbraw/zinc/35/19/39/721351939.db2.gz ZZAOOJBWKMZRAG-IRLDBZIGSA-N 1 0 406.530 2.653 20 0 HFADRO COCc1ccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1 ZINC001164784202 721367974 /nfs/dbraw/zinc/36/79/74/721367974.db2.gz QXIIKHZVZUUUCL-JOCHJYFZSA-N 1 0 400.523 2.952 20 0 HFADRO Cc1csc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164886272 721380963 /nfs/dbraw/zinc/38/09/63/721380963.db2.gz DVOIBPGTONCCBM-UTKZUKDTSA-N 1 0 401.580 2.765 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CCCC5)C3)O2)CC1 ZINC001164894527 721393401 /nfs/dbraw/zinc/39/34/01/721393401.db2.gz YUSGRXPVDWJKCA-JTSKRJEESA-N 1 0 420.001 2.774 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886305 721397998 /nfs/dbraw/zinc/39/79/98/721397998.db2.gz DZKCLVAJQNWCGL-YSIASYRMSA-N 1 0 412.937 2.628 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886340 721399248 /nfs/dbraw/zinc/39/92/48/721399248.db2.gz FGTQHXVPARTDOM-YWZLYKJASA-N 1 0 424.014 2.642 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccoc54)C3)O2)CC1 ZINC001164890517 721423214 /nfs/dbraw/zinc/42/32/14/721423214.db2.gz SYZGYTBWPBXIQJ-FOIQADDNSA-N 1 0 405.930 2.642 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164897736 721431062 /nfs/dbraw/zinc/43/10/62/721431062.db2.gz UPNCNGZYRQYHPK-IIBYNOLFSA-N 1 0 421.973 2.547 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccncc5)cn4)C3)O2)CC1 ZINC001164893664 721431453 /nfs/dbraw/zinc/43/14/53/721431453.db2.gz JWPHVIMOPXHNDS-ISKFKSNPSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccco2)n1 ZINC001164895809 721440614 /nfs/dbraw/zinc/44/06/14/721440614.db2.gz PXOMHAVFJQMFIA-CVDCTZTESA-N 1 0 411.550 2.810 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1OC)CC2 ZINC001164789451 721450833 /nfs/dbraw/zinc/45/08/33/721450833.db2.gz WISQFDPWEJXFDV-QGZVFWFLSA-N 1 0 424.973 2.873 20 0 HFADRO CCc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)nc1C ZINC001164886561 721451827 /nfs/dbraw/zinc/45/18/27/721451827.db2.gz HHGYERHFAZIJAC-UTKZUKDTSA-N 1 0 407.990 2.766 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)nc(C)n1)CC2 ZINC001164784715 721458872 /nfs/dbraw/zinc/45/88/72/721458872.db2.gz JVJHCZKCLBRQDS-IBGZPJMESA-N 1 0 404.555 2.528 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nncc1OC)CC2 ZINC001164788686 721459508 /nfs/dbraw/zinc/45/95/08/721459508.db2.gz VNLGRNUHPJKLET-QGZVFWFLSA-N 1 0 424.973 2.873 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(OC(C)C)n1)CC2 ZINC001164791331 721467844 /nfs/dbraw/zinc/46/78/44/721467844.db2.gz XCIOLSFBAZKGSU-HXUWFJFHSA-N 1 0 418.582 2.998 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1C(N)=O)CC2 ZINC001164793411 721492603 /nfs/dbraw/zinc/49/26/03/721492603.db2.gz RWKQJIPLAWEQJH-UHFFFAOYSA-N 1 0 400.914 2.505 20 0 HFADRO COc1ccc2nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)cc(C)c2c1 ZINC001164794146 721513793 /nfs/dbraw/zinc/51/37/93/721513793.db2.gz HPBQZFBURNAXEH-UHFFFAOYSA-N 1 0 406.534 2.516 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc4cccc(F)c42)CC3)CC1 ZINC001164795916 721522478 /nfs/dbraw/zinc/52/24/78/721522478.db2.gz USPRRTRTNOGRDO-UHFFFAOYSA-N 1 0 414.916 2.991 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CCCCC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164794542 721525345 /nfs/dbraw/zinc/52/53/45/721525345.db2.gz FSKWUIHZDUJNAA-VIZSFHNOSA-N 1 0 408.550 2.730 20 0 HFADRO CCOC(=O)/C=C/c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810697 721529681 /nfs/dbraw/zinc/52/96/81/721529681.db2.gz YBIXTFJXIDMEJS-DYWLUUPVSA-N 1 0 422.529 2.921 20 0 HFADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1Cl ZINC001164803826 721530977 /nfs/dbraw/zinc/53/09/77/721530977.db2.gz JJNITTYNCMEZCJ-BJLQDIEVSA-N 1 0 416.909 2.785 20 0 HFADRO COC(=O)c1cc2ccncc2nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908154 721538580 /nfs/dbraw/zinc/53/85/80/721538580.db2.gz PDABEDQOTVMRKF-MJGOQNOKSA-N 1 0 422.460 2.897 20 0 HFADRO O=C(c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCC1 ZINC001164907336 721544841 /nfs/dbraw/zinc/54/48/41/721544841.db2.gz MYPFDAVEZILAHJ-PZJWPPBQSA-N 1 0 410.493 2.799 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C)cn2)[C@@H]2CCCO[C@H]12 ZINC001164807908 721554683 /nfs/dbraw/zinc/55/46/83/721554683.db2.gz UAXKBUWLRFDRMY-SJBKTWHCSA-N 1 0 423.561 2.873 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3cccnc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806240 721561763 /nfs/dbraw/zinc/56/17/63/721561763.db2.gz PKTIYDBKSBBVNX-KCZVDYSFSA-N 1 0 402.502 2.802 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3cccnc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806247 721561790 /nfs/dbraw/zinc/56/17/90/721561790.db2.gz PKTIYDBKSBBVNX-TUNNFDKTSA-N 1 0 402.502 2.802 20 0 HFADRO CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164904266 721696444 /nfs/dbraw/zinc/69/64/44/721696444.db2.gz FANIROUXSXCVBG-HXUWFJFHSA-N 1 0 417.460 2.786 20 0 HFADRO CN(C)C(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164904186 721699305 /nfs/dbraw/zinc/69/93/05/721699305.db2.gz DQPAQKMKQNYXDA-OAQYLSRUSA-N 1 0 415.488 2.916 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(-n4ccccc4=O)n3)C[C@H]21 ZINC001165021308 721825797 /nfs/dbraw/zinc/82/57/97/721825797.db2.gz DUGIIXSZOZBWHI-HMXCVIKNSA-N 1 0 416.529 2.759 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(Cl)nccc2C(N)=O)CC1 ZINC001165029766 721844651 /nfs/dbraw/zinc/84/46/51/721844651.db2.gz BSVVGQMDAGZGGX-UHFFFAOYSA-N 1 0 418.925 2.952 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1Cl ZINC001164926731 721855186 /nfs/dbraw/zinc/85/51/86/721855186.db2.gz JAUPOHYYQMYVBL-ZIAGYGMSSA-N 1 0 401.338 2.780 20 0 HFADRO COC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ncc1N ZINC001164939753 721924394 /nfs/dbraw/zinc/92/43/94/721924394.db2.gz MONSDQJJKQXSAK-UHFFFAOYSA-N 1 0 410.518 2.630 20 0 HFADRO COCCOc1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164940628 721931297 /nfs/dbraw/zinc/93/12/97/721931297.db2.gz UWTQQJIHXYPBCI-UHFFFAOYSA-N 1 0 412.534 2.682 20 0 HFADRO COC(=O)C1CCN(c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nn2)CC1 ZINC001165047445 721972803 /nfs/dbraw/zinc/97/28/03/721972803.db2.gz HFTBJBSGLHTXOH-IBGZPJMESA-N 1 0 401.555 2.711 20 0 HFADRO COC(=O)C1CCN(c2ccnc(N3CCCC[C@H]3CC[NH+]3CCCC3)n2)CC1 ZINC001165049080 721973496 /nfs/dbraw/zinc/97/34/96/721973496.db2.gz MUBUJWFSXGLNNG-IBGZPJMESA-N 1 0 401.555 2.711 20 0 HFADRO COC(=O)c1cc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952785 722012560 /nfs/dbraw/zinc/01/25/60/722012560.db2.gz BNOWHKBRWONTTF-UHFFFAOYSA-N 1 0 401.898 2.804 20 0 HFADRO Clc1nc2nc[nH]c2c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961961 722052222 /nfs/dbraw/zinc/05/22/22/722052222.db2.gz ZYHALNAUNOGYLZ-UHFFFAOYSA-N 1 0 413.913 2.520 20 0 HFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4nccc(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164963285 722057555 /nfs/dbraw/zinc/05/75/55/722057555.db2.gz VNNPNDDSWCOMHF-UHFFFAOYSA-N 1 0 422.577 2.981 20 0 HFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4cncc(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164959990 722058161 /nfs/dbraw/zinc/05/81/61/722058161.db2.gz BQEYLHKARLABDT-UHFFFAOYSA-N 1 0 408.550 2.591 20 0 HFADRO Cc1noc(-c2cccnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164959995 722060126 /nfs/dbraw/zinc/06/01/26/722060126.db2.gz CAMBSIUNKLANRU-UHFFFAOYSA-N 1 0 420.517 2.954 20 0 HFADRO Fc1cccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967255 722072613 /nfs/dbraw/zinc/07/26/13/722072613.db2.gz LDVQHPQUQFTQFT-BGYRXZFFSA-N 1 0 407.493 2.918 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@H]3C2)c1 ZINC001164984066 722099694 /nfs/dbraw/zinc/09/96/94/722099694.db2.gz ROUQWTURJZFLBU-SFTDATJTSA-N 1 0 408.550 2.589 20 0 HFADRO COC(=O)c1cc(Cl)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985889 722102757 /nfs/dbraw/zinc/10/27/57/722102757.db2.gz XLAHKDARRWYHCX-WMZOPIPTSA-N 1 0 416.909 2.644 20 0 HFADRO Clc1nc2ncsc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983647 722120071 /nfs/dbraw/zinc/12/00/71/722120071.db2.gz YVJMQWOGZVFAHH-CABCVRRESA-N 1 0 416.938 2.862 20 0 HFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984654 722132341 /nfs/dbraw/zinc/13/23/41/722132341.db2.gz YFWOFKIYGAJMTI-WOJBJXKFSA-N 1 0 410.518 2.689 20 0 HFADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979651 722134536 /nfs/dbraw/zinc/13/45/36/722134536.db2.gz LRGBNHCYEVLNSO-PIDMMKLOSA-N 1 0 422.529 2.699 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982685 722136231 /nfs/dbraw/zinc/13/62/31/722136231.db2.gz SCYYXKXEXODUOE-CVEARBPZSA-N 1 0 405.955 2.974 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@@H]3C2)c1 ZINC001164978895 722145265 /nfs/dbraw/zinc/14/52/65/722145265.db2.gz KLWYSJOTILGKRO-IRLDBZIGSA-N 1 0 402.502 2.661 20 0 HFADRO Fc1cccc(-c2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164978914 722145682 /nfs/dbraw/zinc/14/56/82/722145682.db2.gz KXLZWMIUPAATDG-CTNGQTDRSA-N 1 0 420.492 2.800 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@@H]3C2)c1 ZINC001164972535 722148236 /nfs/dbraw/zinc/14/82/36/722148236.db2.gz ABIUBDYOBKOPAU-IFMALSPDSA-N 1 0 402.502 2.661 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@H]3C2)c1 ZINC001164977087 722149647 /nfs/dbraw/zinc/14/96/47/722149647.db2.gz IRLHXPLUGVWHGZ-FCHUYYIVSA-N 1 0 422.577 2.979 20 0 HFADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4c5ccccc5[C@H](OCC5CC5)[C@@H]4C3)nn2)CC1 ZINC001164979665 722170283 /nfs/dbraw/zinc/17/02/83/722170283.db2.gz VKDFPLGQNIAHQQ-LGVFNWMJSA-N 1 0 405.546 2.930 20 0 HFADRO CCc1cc2c(nc(Cl)nc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH]1 ZINC001165002957 722255451 /nfs/dbraw/zinc/25/54/51/722255451.db2.gz YMHKSJQLRBQYKK-UHFFFAOYSA-N 1 0 417.945 2.859 20 0 HFADRO CON(C)C(=O)[C@H](CCSC)[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000790495715 1078043570 /nfs/dbraw/zinc/04/35/70/1078043570.db2.gz JQPVLEPIJZDZTJ-SFHVURJKSA-N 1 0 409.552 2.519 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995938 1078044165 /nfs/dbraw/zinc/04/41/65/1078044165.db2.gz CTFKKUPSJNXVBE-YFVAEKQCSA-N 1 0 414.550 2.817 20 0 HFADRO CNC(=O)COc1cccc(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)c1 ZINC000790467259 1078045012 /nfs/dbraw/zinc/04/50/12/1078045012.db2.gz BBZXIRZPOXHRQL-UHFFFAOYSA-N 1 0 411.502 2.702 20 0 HFADRO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000790501011 1078046054 /nfs/dbraw/zinc/04/60/54/1078046054.db2.gz DNBFGJNNINMEAO-MJGOQNOKSA-N 1 0 420.554 2.635 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1Br ZINC000793012524 1078048310 /nfs/dbraw/zinc/04/83/10/1078048310.db2.gz YLAWLCMFEJNEBT-DZGCQCFKSA-N 1 0 421.339 2.566 20 0 HFADRO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)cc1 ZINC000790512602 1078048503 /nfs/dbraw/zinc/04/85/03/1078048503.db2.gz BDAUEURVVSRPEB-UHFFFAOYSA-N 1 0 404.923 2.565 20 0 HFADRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(F)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000793014288 1078048903 /nfs/dbraw/zinc/04/89/03/1078048903.db2.gz MKTXJXQWXPFQOU-SJCJKPOMSA-N 1 0 408.836 2.761 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)nc1Br ZINC000793016463 1078049882 /nfs/dbraw/zinc/04/98/82/1078049882.db2.gz TVSYKPNXSSUAPN-CQSZACIVSA-N 1 0 419.323 2.728 20 0 HFADRO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccc(Cl)cc5)S4(=O)=O)(C2)O3)C1 ZINC001170139445 1078051677 /nfs/dbraw/zinc/05/16/77/1078051677.db2.gz VAMRXPFWHMENFW-ZQOVORKSSA-N 1 0 410.967 2.886 20 0 HFADRO C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cn1 ZINC000793020911 1078058215 /nfs/dbraw/zinc/05/82/15/1078058215.db2.gz FAGQGLVEYMEWTJ-XJKSGUPXSA-N 1 0 411.344 2.848 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000790583657 1078061690 /nfs/dbraw/zinc/06/16/90/1078061690.db2.gz OAAFFFSMPQSEME-INIZCTEOSA-N 1 0 406.328 2.880 20 0 HFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1nc(Br)ccc1Br ZINC000790607829 1078074097 /nfs/dbraw/zinc/07/40/97/1078074097.db2.gz FYVRJTWPXJPIMT-SNVBAGLBSA-N 1 0 403.118 2.821 20 0 HFADRO C[C@@H]1OCC[C@@]12CN(C(=S)NC1CC[NH+](Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC000790608680 1078074756 /nfs/dbraw/zinc/07/47/56/1078074756.db2.gz NPIUGJFCZPGARM-KGVIQGDOSA-N 1 0 403.592 2.794 20 0 HFADRO CN(C(=O)c1nc(Br)ccc1Br)[C@@H]1C[NH+]2CCC1CC2 ZINC000790624917 1078080954 /nfs/dbraw/zinc/08/09/54/1078080954.db2.gz GMPOCUIAUSCUIM-LLVKDONJSA-N 1 0 403.118 2.773 20 0 HFADRO CC[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC001170141908 1078084745 /nfs/dbraw/zinc/08/47/45/1078084745.db2.gz YADQSPGKJWGAJY-OAHLLOKOSA-N 1 0 401.525 2.501 20 0 HFADRO Cc1ccc(Br)cc1S(=O)(=O)N(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000793145844 1078089704 /nfs/dbraw/zinc/08/97/04/1078089704.db2.gz DCSQLLOKODEUEV-UHFFFAOYSA-N 1 0 408.277 2.866 20 0 HFADRO C[C@H](NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000793146816 1078089740 /nfs/dbraw/zinc/08/97/40/1078089740.db2.gz BXYIMPCLEMMZBH-JTSKRJEESA-N 1 0 400.523 2.737 20 0 HFADRO C[C@@H](NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000793146822 1078090032 /nfs/dbraw/zinc/09/00/32/1078090032.db2.gz BXYIMPCLEMMZBH-VGSWGCGISA-N 1 0 400.523 2.737 20 0 HFADRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000793183481 1078096097 /nfs/dbraw/zinc/09/60/97/1078096097.db2.gz DVIMNHFJYCLCCI-SVFBPWRDSA-N 1 0 417.550 2.745 20 0 HFADRO C[C@@H]1C[N@H+](CCCNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC000793194111 1078098027 /nfs/dbraw/zinc/09/80/27/1078098027.db2.gz YOTRJFURXWQXRI-GOSISDBHSA-N 1 0 424.586 2.744 20 0 HFADRO CC(C)(CNC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000790709151 1078102650 /nfs/dbraw/zinc/10/26/50/1078102650.db2.gz OZIMEAGUTBYCPL-INIZCTEOSA-N 1 0 411.930 2.566 20 0 HFADRO COc1cccc2cc(C[NH2+][C@H](C(=O)N(C)Cc3nnc4n3CCC4)C(C)C)oc21 ZINC000793247380 1078109596 /nfs/dbraw/zinc/10/95/96/1078109596.db2.gz NIKLBAXOMWRIKF-FQEVSTJZSA-N 1 0 411.506 2.752 20 0 HFADRO COCC1(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790770396 1078110978 /nfs/dbraw/zinc/11/09/78/1078110978.db2.gz QSTUMVVYLCPWJC-SJORKVTESA-N 1 0 424.586 2.575 20 0 HFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793273369 1078115923 /nfs/dbraw/zinc/11/59/23/1078115923.db2.gz GWYUFEARPOLHLF-WOJBJXKFSA-N 1 0 424.545 2.911 20 0 HFADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790727496 1078116284 /nfs/dbraw/zinc/11/62/84/1078116284.db2.gz PBZAUGKQOHNISE-HSZRJFAPSA-N 1 0 422.529 2.762 20 0 HFADRO Cc1cc(C)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1I ZINC000793290819 1078119507 /nfs/dbraw/zinc/11/95/07/1078119507.db2.gz IAFWZSJQCQRUDK-UONOGXRCSA-N 1 0 414.287 2.501 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000793281550 1078127406 /nfs/dbraw/zinc/12/74/06/1078127406.db2.gz RXEQTGIMABJBNA-GOSISDBHSA-N 1 0 405.539 2.889 20 0 HFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790782561 1078132851 /nfs/dbraw/zinc/13/28/51/1078132851.db2.gz ZSOWRUMOQIBODS-SQNIBIBYSA-N 1 0 414.566 2.953 20 0 HFADRO CSC1(CNC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000793359629 1078147198 /nfs/dbraw/zinc/14/71/98/1078147198.db2.gz UUVKZQUIULFCJV-LSDHHAIUSA-N 1 0 415.600 2.691 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(OS(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000790852259 1078149705 /nfs/dbraw/zinc/14/97/05/1078149705.db2.gz SLNRIDYYLGVIMG-UHFFFAOYSA-N 1 0 424.494 2.674 20 0 HFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C[C@H](O)c1cccc(F)c1 ZINC000772762939 1078154272 /nfs/dbraw/zinc/15/42/72/1078154272.db2.gz XSKZYJGODAQVHH-QFIPXVFZSA-N 1 0 405.558 2.904 20 0 HFADRO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC000793374480 1078152905 /nfs/dbraw/zinc/15/29/05/1078152905.db2.gz NVQPBJOFQGGEOX-SFHVURJKSA-N 1 0 405.539 2.889 20 0 HFADRO C[NH+](C)CCOC1CCN(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000793407523 1078157901 /nfs/dbraw/zinc/15/79/01/1078157901.db2.gz RGJYXAHLEQCMIR-UHFFFAOYSA-N 1 0 424.586 2.696 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@](C)(O)c3ccsc3)cc2)CC1 ZINC000790921245 1078184323 /nfs/dbraw/zinc/18/43/23/1078184323.db2.gz NWWPWTPBGHGFKO-NRFANRHFSA-N 1 0 403.548 2.928 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000793459720 1078193295 /nfs/dbraw/zinc/19/32/95/1078193295.db2.gz QTFOVYOKSYXTJB-PCCBWWKXSA-N 1 0 422.529 2.665 20 0 HFADRO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793497103 1078202233 /nfs/dbraw/zinc/20/22/33/1078202233.db2.gz IPMZUAWEAJFKSD-UHFFFAOYSA-N 1 0 416.566 2.742 20 0 HFADRO C[C@H]1C[C@@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000793537459 1078206603 /nfs/dbraw/zinc/20/66/03/1078206603.db2.gz AEYFOWHPJNUZQW-HOCLYGCPSA-N 1 0 418.538 2.821 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]CC3CCC4(CC3)OCCO4)cc2)C1=O ZINC000793605141 1078222168 /nfs/dbraw/zinc/22/21/68/1078222168.db2.gz DUZHZAJCOGNTBI-JOCHJYFZSA-N 1 0 413.518 2.934 20 0 HFADRO CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000793603593 1078222237 /nfs/dbraw/zinc/22/22/37/1078222237.db2.gz CEQDRWAVURFOTE-QHCPKHFHSA-N 1 0 417.550 2.987 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000793654210 1078226649 /nfs/dbraw/zinc/22/66/49/1078226649.db2.gz SSNKNECWDYPSAN-QSFXBCCZSA-N 1 0 415.559 2.617 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000793639119 1078237714 /nfs/dbraw/zinc/23/77/14/1078237714.db2.gz INXWQSMFJKZJBG-ROUUACIJSA-N 1 0 409.530 2.698 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000793650515 1078242002 /nfs/dbraw/zinc/24/20/02/1078242002.db2.gz KZKQAUCYFUFYNO-XMSQKQJNSA-N 1 0 423.557 2.773 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000793670309 1078246493 /nfs/dbraw/zinc/24/64/93/1078246493.db2.gz QCOKVHLXVXVBGP-SFHVURJKSA-N 1 0 419.529 2.734 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000793681950 1078252842 /nfs/dbraw/zinc/25/28/42/1078252842.db2.gz NWOXPSNSHPGKRX-UXHICEINSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC(CCc2ccc(O)cc2)CC1)[NH+]1CCCCC1 ZINC000793719401 1078264116 /nfs/dbraw/zinc/26/41/16/1078264116.db2.gz DRRVYUFFHOODOB-SFHVURJKSA-N 1 0 401.551 2.554 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[NH+](C)C)cc1 ZINC000793719572 1078264944 /nfs/dbraw/zinc/26/49/44/1078264944.db2.gz LXYIWTFRTYIQTA-DHIUTWEWSA-N 1 0 423.557 2.998 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccccc1N1CCCC1 ZINC000793723325 1078266151 /nfs/dbraw/zinc/26/61/51/1078266151.db2.gz HIAVSSHNDBWSKC-UHFFFAOYSA-N 1 0 422.573 2.536 20 0 HFADRO C[C@H](NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1nc2ccccc2s1 ZINC000793721625 1078266260 /nfs/dbraw/zinc/26/62/60/1078266260.db2.gz YXGSWVNSMPMFOS-RDJZCZTQSA-N 1 0 410.543 2.763 20 0 HFADRO COc1ccccc1C1(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CCCC1 ZINC000793729415 1078268738 /nfs/dbraw/zinc/26/87/38/1078268738.db2.gz WGUPZJNXAFZOBJ-GOSISDBHSA-N 1 0 401.551 2.614 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000793693001 1078269806 /nfs/dbraw/zinc/26/98/06/1078269806.db2.gz IRSGPMDZEPVOKX-UXHICEINSA-N 1 0 401.551 2.685 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000793695268 1078270900 /nfs/dbraw/zinc/27/09/00/1078270900.db2.gz NDZXVAAAEOVURD-SJBKTWHCSA-N 1 0 423.557 2.987 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000793695190 1078271316 /nfs/dbraw/zinc/27/13/16/1078271316.db2.gz MKRMLKCFJQPCNF-OAQYLSRUSA-N 1 0 423.557 2.737 20 0 HFADRO C[NH+](C)CCOc1ccccc1C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747145615 1078271556 /nfs/dbraw/zinc/27/15/56/1078271556.db2.gz NBUWXISCNGTJRL-UHFFFAOYSA-N 1 0 411.502 2.722 20 0 HFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 ZINC000793698194 1078272513 /nfs/dbraw/zinc/27/25/13/1078272513.db2.gz JBHBFIREKHKBHD-IBGZPJMESA-N 1 0 422.614 2.649 20 0 HFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c1)CC2 ZINC000793762409 1078280532 /nfs/dbraw/zinc/28/05/32/1078280532.db2.gz LJVAYGNDTRXKSE-PMACEKPBSA-N 1 0 422.529 2.665 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(CN3C(=O)C(=O)c4c3ccc(Br)c4Cl)C2)C1 ZINC000793763160 1078281086 /nfs/dbraw/zinc/28/10/86/1078281086.db2.gz DAKJGVKHQFJCLS-KRWDZBQOSA-N 1 0 412.715 2.617 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000793765269 1078282049 /nfs/dbraw/zinc/28/20/49/1078282049.db2.gz BINGOJAHDDSMHO-HXUWFJFHSA-N 1 0 415.578 2.993 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793767242 1078282811 /nfs/dbraw/zinc/28/28/11/1078282811.db2.gz FHTMOGRGFMZNBC-RBBKRZOGSA-N 1 0 423.557 2.859 20 0 HFADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000793768321 1078283306 /nfs/dbraw/zinc/28/33/06/1078283306.db2.gz LHEPLAPARKGITB-YCRPNKLZSA-N 1 0 422.932 2.864 20 0 HFADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000793745801 1078289123 /nfs/dbraw/zinc/28/91/23/1078289123.db2.gz DBEFWTJRFJMLLS-FYQPLNBISA-N 1 0 422.614 2.506 20 0 HFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793750326 1078290564 /nfs/dbraw/zinc/29/05/64/1078290564.db2.gz HCOTXNRFKSASFW-ORYQWCPZSA-N 1 0 424.545 2.767 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000793799995 1078302579 /nfs/dbraw/zinc/30/25/79/1078302579.db2.gz AQBHYYHSVXFWSD-OALUTQOASA-N 1 0 417.550 2.515 20 0 HFADRO C[C@H](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000793805565 1078304051 /nfs/dbraw/zinc/30/40/51/1078304051.db2.gz RQIFLGHSCHOFFF-DUXKGJEZSA-N 1 0 424.545 2.959 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)C2)C1 ZINC000793771019 1078307045 /nfs/dbraw/zinc/30/70/45/1078307045.db2.gz ZVCWELJOFMXTGY-DQEYMECFSA-N 1 0 418.541 2.662 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793845335 1078312704 /nfs/dbraw/zinc/31/27/04/1078312704.db2.gz ZDVSZBJASMGDJS-GOSISDBHSA-N 1 0 414.937 2.722 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)C(=O)N[C@@H](C)c3ccc(C)s3)CCCC2)CC1 ZINC000793846731 1078313667 /nfs/dbraw/zinc/31/36/67/1078313667.db2.gz JGDSROYHWGDTNY-INIZCTEOSA-N 1 0 407.580 2.774 20 0 HFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)[C@@H](C)C1 ZINC000793872431 1078329415 /nfs/dbraw/zinc/32/94/15/1078329415.db2.gz ABPILVYEKOYGKA-ZWKOTPCHSA-N 1 0 411.587 2.765 20 0 HFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000793931371 1078341241 /nfs/dbraw/zinc/34/12/41/1078341241.db2.gz NIAREJMYPBZDGD-MAUKXSAKSA-N 1 0 400.910 2.645 20 0 HFADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793877053 1078332644 /nfs/dbraw/zinc/33/26/44/1078332644.db2.gz SRAKDWRUMKQUDW-SFHVURJKSA-N 1 0 416.610 2.916 20 0 HFADRO COCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)ccc21 ZINC000793909311 1078335130 /nfs/dbraw/zinc/33/51/30/1078335130.db2.gz AZNBSDRHMNQUTL-LJQANCHMSA-N 1 0 408.502 2.815 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)C1 ZINC000793912646 1078335865 /nfs/dbraw/zinc/33/58/65/1078335865.db2.gz ZXAOPTLSSUQIGG-FGTMMUONSA-N 1 0 421.607 2.789 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000793912648 1078335887 /nfs/dbraw/zinc/33/58/87/1078335887.db2.gz ZXAOPTLSSUQIGG-KZNAEPCWSA-N 1 0 421.607 2.789 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)CCC2 ZINC000793913728 1078336842 /nfs/dbraw/zinc/33/68/42/1078336842.db2.gz IWWNZYHQWGDPNN-ZHALLVOQSA-N 1 0 417.598 2.830 20 0 HFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000793915540 1078336895 /nfs/dbraw/zinc/33/68/95/1078336895.db2.gz YMQUOVRPMUXKMY-RXVVDRJESA-N 1 0 415.578 2.897 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000793930209 1078340978 /nfs/dbraw/zinc/34/09/78/1078340978.db2.gz JQHLGZKFRANIFO-WIYYLYMNSA-N 1 0 408.546 2.711 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000793953451 1078346160 /nfs/dbraw/zinc/34/61/60/1078346160.db2.gz UYRGRQJFAQPIIJ-RTBURBONSA-N 1 0 407.599 2.716 20 0 HFADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000793965867 1078348942 /nfs/dbraw/zinc/34/89/42/1078348942.db2.gz ISKIAEZLQGDNTN-AUSIDOKSSA-N 1 0 417.550 2.652 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cs1 ZINC000793971555 1078349540 /nfs/dbraw/zinc/34/95/40/1078349540.db2.gz UAFTXFCYNLVWPJ-OAHLLOKOSA-N 1 0 408.568 2.957 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000793945649 1078353832 /nfs/dbraw/zinc/35/38/32/1078353832.db2.gz IHMORDQHOVLWAO-NQIIRXRSSA-N 1 0 420.642 2.630 20 0 HFADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000793944865 1078354509 /nfs/dbraw/zinc/35/45/09/1078354509.db2.gz FANTVEXBWSOYGH-AZUAARDMSA-N 1 0 409.615 2.914 20 0 HFADRO COCCCN(C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000794041801 1078364151 /nfs/dbraw/zinc/36/41/51/1078364151.db2.gz KOSOULNAFUNGJK-SFHVURJKSA-N 1 0 406.445 2.687 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001170442903 1078372556 /nfs/dbraw/zinc/37/25/56/1078372556.db2.gz MTLYOOXFDSGERV-LJQANCHMSA-N 1 0 411.550 2.872 20 0 HFADRO Cn1c2ccc(OC(=O)c3cnn(CC[NH+](C)C)c3-c3ccccc3)cc2n(C)c1=O ZINC000794163266 1078379116 /nfs/dbraw/zinc/37/91/16/1078379116.db2.gz AQVAJNXDULHFRZ-UHFFFAOYSA-N 1 0 419.485 2.521 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CCOC[C@@H]2NC(=O)N(C)C)CC1 ZINC001170443795 1078381128 /nfs/dbraw/zinc/38/11/28/1078381128.db2.gz QAJNQAIEALDOCT-NQIIRXRSSA-N 1 0 417.550 2.879 20 0 HFADRO Cc1ccc(NC(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)cc1N1C(=O)CNC1=O ZINC000794267692 1078396996 /nfs/dbraw/zinc/39/69/96/1078396996.db2.gz VOFIZWOIEVNPDE-XFFZJAGNSA-N 1 0 422.485 2.644 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2C(C)=O)C1 ZINC001170445606 1078415351 /nfs/dbraw/zinc/41/53/51/1078415351.db2.gz XMBFZEOVIMXTJJ-MLNNCEHLSA-N 1 0 424.545 2.944 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000794342875 1078420473 /nfs/dbraw/zinc/42/04/73/1078420473.db2.gz HVYDOAKQNBLUIE-UHFFFAOYSA-N 1 0 418.538 2.824 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 ZINC000794346682 1078421556 /nfs/dbraw/zinc/42/15/56/1078421556.db2.gz WLNLMSWCSTYMTC-IBGZPJMESA-N 1 0 422.529 2.717 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CC3(Cl)Cl)cc2)CC1 ZINC000794403258 1078436551 /nfs/dbraw/zinc/43/65/51/1078436551.db2.gz GNDSJXXQQJJTFN-OAHLLOKOSA-N 1 0 400.306 2.504 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(F)(F)F ZINC001129797170 1078474300 /nfs/dbraw/zinc/47/43/00/1078474300.db2.gz RZLHENSNBPRHDA-CQSZACIVSA-N 1 0 413.400 2.843 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001170449906 1078487358 /nfs/dbraw/zinc/48/73/58/1078487358.db2.gz PNJKOYCLJKROIJ-AQNXPRMDSA-N 1 0 406.482 2.853 20 0 HFADRO CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001170451456 1078492663 /nfs/dbraw/zinc/49/26/63/1078492663.db2.gz KDBCNEMGRNENKD-KRWDZBQOSA-N 1 0 400.386 2.887 20 0 HFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001129505267 1078498953 /nfs/dbraw/zinc/49/89/53/1078498953.db2.gz CNVNNYSBJYGYPF-WBVHZDCISA-N 1 0 401.457 2.954 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Cl)ncc2Br)CC1 ZINC001129808279 1078505711 /nfs/dbraw/zinc/50/57/11/1078505711.db2.gz NKIHCFAHJVNYJO-UHFFFAOYSA-N 1 0 403.752 2.643 20 0 HFADRO O=C(c1cccc(C2OCCO2)c1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447946 1078514680 /nfs/dbraw/zinc/51/46/80/1078514680.db2.gz KBNYINAPOAEYMZ-HSZRJFAPSA-N 1 0 421.541 2.764 20 0 HFADRO C[C@H](Oc1ccc(C=O)cc1)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447547 1078515080 /nfs/dbraw/zinc/51/50/80/1078515080.db2.gz GCUUHMREMDVYSR-NZQKXSOJSA-N 1 0 421.541 2.685 20 0 HFADRO CC[C@H](C)CC[C@@H](O)CC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804448995 1078515960 /nfs/dbraw/zinc/51/59/60/1078515960.db2.gz SXSSTALXIOCVKV-ACIOBRDBSA-N 1 0 401.595 2.982 20 0 HFADRO CC[C@@H]1CC([NH2+]C2CCN(S(C)(=O)=O)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170462585 1078529071 /nfs/dbraw/zinc/52/90/71/1078529071.db2.gz DNCYMAATLBVKLT-QZTJIDSGSA-N 1 0 417.616 2.957 20 0 HFADRO Cc1nc(-c2ccsc2)ccc1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001129846747 1078530341 /nfs/dbraw/zinc/53/03/41/1078530341.db2.gz CODVMZAJGQTGAP-UHFFFAOYSA-N 1 0 414.575 2.645 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1 ZINC000804695261 1078536402 /nfs/dbraw/zinc/53/64/02/1078536402.db2.gz FQHIVUDBDXJGJT-RANZSIQMSA-N 1 0 421.632 2.728 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CCN(S(C)(=O)=O)CC2)CC1 ZINC001170462284 1078547216 /nfs/dbraw/zinc/54/72/16/1078547216.db2.gz YXUOWNRSKDPJKX-GOSISDBHSA-N 1 0 408.564 2.874 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000804524864 1078564467 /nfs/dbraw/zinc/56/44/67/1078564467.db2.gz XISAPYIDIOIHBJ-DHVPZBTDSA-N 1 0 419.566 2.534 20 0 HFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)C1 ZINC000804533647 1078571271 /nfs/dbraw/zinc/57/12/71/1078571271.db2.gz FILQIZZRDWCMQM-UHFFFAOYSA-N 1 0 408.470 2.780 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001129906075 1078578345 /nfs/dbraw/zinc/57/83/45/1078578345.db2.gz WABODPORWRTOPR-MSOLQXFVSA-N 1 0 407.580 2.724 20 0 HFADRO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000804564767 1078600049 /nfs/dbraw/zinc/60/00/49/1078600049.db2.gz MSHSBQBADQAJOL-PQAIKRCPSA-N 1 0 415.534 2.996 20 0 HFADRO COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000804564765 1078600136 /nfs/dbraw/zinc/60/01/36/1078600136.db2.gz MSHSBQBADQAJOL-BJCAYOAGSA-N 1 0 415.534 2.996 20 0 HFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)sc2C1 ZINC001129951069 1078626376 /nfs/dbraw/zinc/62/63/76/1078626376.db2.gz HYKBWVGIMPCAFW-UWVGGRQHSA-N 1 0 404.458 2.553 20 0 HFADRO CN1C(=O)C[C@@H](C(=O)NCc2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001129666645 1078626856 /nfs/dbraw/zinc/62/68/56/1078626856.db2.gz FFDRLGWYMHVJHL-BEFAXECRSA-N 1 0 400.841 2.963 20 0 HFADRO CC[C@@H]1CC([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170467333 1078629932 /nfs/dbraw/zinc/62/99/32/1078629932.db2.gz CXWIUTBNSWHMTF-CGTJXYLNSA-N 1 0 417.616 2.957 20 0 HFADRO O=C(Nc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1)Nc1ccccc1 ZINC000747214713 1078634410 /nfs/dbraw/zinc/63/44/10/1078634410.db2.gz AQXRGNIPXRPLFN-CVEARBPZSA-N 1 0 400.504 2.985 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2sc(CC(F)(F)F)nc2C)CC1 ZINC001129962399 1078636904 /nfs/dbraw/zinc/63/69/04/1078636904.db2.gz ZQBCQAQYJMVBEF-UHFFFAOYSA-N 1 0 406.518 2.631 20 0 HFADRO COC[C@]1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000804786094 1078641763 /nfs/dbraw/zinc/64/17/63/1078641763.db2.gz BESMHTGAMKJJQD-PGRDOPGGSA-N 1 0 409.571 2.926 20 0 HFADRO Cc1cc(OCC(=O)NC2CCN(Cc3cccc(Br)c3)CC2)no1 ZINC001129695155 1078654320 /nfs/dbraw/zinc/65/43/20/1078654320.db2.gz NKUSATFEHULMRH-UHFFFAOYSA-N 1 0 408.296 2.905 20 0 HFADRO C[NH+]1CCC(CNC(=O)c2ccccc2OC2CCCCC2)(N2CCOCC2)CC1 ZINC001129719921 1078672742 /nfs/dbraw/zinc/67/27/42/1078672742.db2.gz JAWOSRPMVNOGAE-UHFFFAOYSA-N 1 0 415.578 2.925 20 0 HFADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000804626694 1078680094 /nfs/dbraw/zinc/68/00/94/1078680094.db2.gz MPSPJMVJZJSPLJ-UHFFFAOYSA-N 1 0 423.557 2.692 20 0 HFADRO CCN(c1ccnc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736239 1078682914 /nfs/dbraw/zinc/68/29/14/1078682914.db2.gz YJYSUZSGIONOIO-RBUKOAKNSA-N 1 0 411.554 2.653 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000804863661 1078687915 /nfs/dbraw/zinc/68/79/15/1078687915.db2.gz MMRMHNCVVMZOLE-UHFFFAOYSA-N 1 0 402.564 2.777 20 0 HFADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000804868829 1078692380 /nfs/dbraw/zinc/69/23/80/1078692380.db2.gz FMSORQSHCORJBC-XSFVSMFZSA-N 1 0 412.469 2.692 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000804870242 1078693431 /nfs/dbraw/zinc/69/34/31/1078693431.db2.gz VDYXUJCDIOQFGE-HNNXBMFYSA-N 1 0 405.417 2.723 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)o1 ZINC000804633025 1078712613 /nfs/dbraw/zinc/71/26/13/1078712613.db2.gz IYDCHTJDODEEEJ-DLBZAZTESA-N 1 0 407.511 2.631 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3cc(F)c(F)cc3F)cc2)CC1 ZINC001129742529 1078714375 /nfs/dbraw/zinc/71/43/75/1078714375.db2.gz JXYTXQZOZPZBQB-UHFFFAOYSA-N 1 0 405.420 2.731 20 0 HFADRO CCCOc1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000804857385 1078727239 /nfs/dbraw/zinc/72/72/39/1078727239.db2.gz CTKWWGCCQNCDIX-DEOSSOPVSA-N 1 0 424.545 2.515 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)c1cccc(OC)c1 ZINC000804900038 1078755751 /nfs/dbraw/zinc/75/57/51/1078755751.db2.gz XAXKPTNCAYHDFL-FQEVSTJZSA-N 1 0 420.554 2.856 20 0 HFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC1 ZINC000804944854 1078771386 /nfs/dbraw/zinc/77/13/86/1078771386.db2.gz JJIFRVSXCHLMCU-UQBPGWFLSA-N 1 0 423.557 2.742 20 0 HFADRO CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(Cl)nc3C)cc2)CC1 ZINC000804950596 1078778499 /nfs/dbraw/zinc/77/84/99/1078778499.db2.gz GEZAAZUUSDHSKZ-UHFFFAOYSA-N 1 0 422.982 2.659 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000804954662 1078796091 /nfs/dbraw/zinc/79/60/91/1078796091.db2.gz PLIYSRCBZOLKQA-MPGHIAIKSA-N 1 0 407.477 2.882 20 0 HFADRO CCN1CC[NH+](CCCCNC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 ZINC000804955358 1078796970 /nfs/dbraw/zinc/79/69/70/1078796970.db2.gz MSNGQUDLVWJDDV-HSZRJFAPSA-N 1 0 416.610 2.868 20 0 HFADRO CN(C)c1ccc(S(=O)(=O)Oc2ccc(OCC[NH+]3CCCCC3)cc2)cn1 ZINC000804964452 1078801966 /nfs/dbraw/zinc/80/19/66/1078801966.db2.gz IDTSFDWDRPPXQA-UHFFFAOYSA-N 1 0 405.520 2.780 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000804975818 1078810742 /nfs/dbraw/zinc/81/07/42/1078810742.db2.gz BAEBUUGOBAEUEI-QWQRMKEZSA-N 1 0 407.477 2.880 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804975310 1078811074 /nfs/dbraw/zinc/81/10/74/1078811074.db2.gz JQXBGXVIJUGHFW-UGUYLWEFSA-N 1 0 420.520 2.984 20 0 HFADRO O=C(NCCn1cc(Br)cn1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000805013767 1078824389 /nfs/dbraw/zinc/82/43/89/1078824389.db2.gz GAYJEYINJSHNSI-QGZVFWFLSA-N 1 0 420.355 2.857 20 0 HFADRO Cc1nc(Cl)ccc1S(=O)(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000804992187 1078844751 /nfs/dbraw/zinc/84/47/51/1078844751.db2.gz AAQHQQJOLBUMRR-UHFFFAOYSA-N 1 0 409.939 2.997 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2ccc(Cl)nc2C)CC1 ZINC000805051377 1078865174 /nfs/dbraw/zinc/86/51/74/1078865174.db2.gz KPORJRJZVQQEDG-UHFFFAOYSA-N 1 0 403.976 2.803 20 0 HFADRO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1OC ZINC000805098789 1078886068 /nfs/dbraw/zinc/88/60/68/1078886068.db2.gz MOPQTEMBBPYQRZ-RGPMPMONSA-N 1 0 402.539 2.529 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805110752 1078895132 /nfs/dbraw/zinc/89/51/32/1078895132.db2.gz HAIFSCCMUJSNQL-FZMZJTMJSA-N 1 0 421.332 2.844 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000805110835 1078895210 /nfs/dbraw/zinc/89/52/10/1078895210.db2.gz KWCBHLSQTQIDQN-CMPLNLGQSA-N 1 0 408.749 2.745 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(C)c1Cl ZINC000805112649 1078897792 /nfs/dbraw/zinc/89/77/92/1078897792.db2.gz CHCJCFCAACEDCB-VXGBXAGGSA-N 1 0 406.957 2.744 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000805139351 1078936545 /nfs/dbraw/zinc/93/65/45/1078936545.db2.gz REGHGKLGRLFQLE-NFBKMPQASA-N 1 0 414.594 2.619 20 0 HFADRO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000805131205 1078930556 /nfs/dbraw/zinc/93/05/56/1078930556.db2.gz GLOBVWHVEXAXQA-KDOFPFPSSA-N 1 0 415.456 2.539 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CCOCC1 ZINC000805138723 1078935615 /nfs/dbraw/zinc/93/56/15/1078935615.db2.gz CROJULKQHUCGIG-NRFANRHFSA-N 1 0 424.586 2.530 20 0 HFADRO O=C(COc1ccc(C2SCCCS2)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747230935 1078945576 /nfs/dbraw/zinc/94/55/76/1078945576.db2.gz DBQUIUUHDRWMIG-WMZOPIPTSA-N 1 0 408.589 2.914 20 0 HFADRO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747232020 1078949978 /nfs/dbraw/zinc/94/99/78/1078949978.db2.gz PTXRFFLQUYTDRD-FKBYEOEOSA-N 1 0 407.514 2.527 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199269 1078952679 /nfs/dbraw/zinc/95/26/79/1078952679.db2.gz QEWXWWUQJYRPRX-CDMIOBSGSA-N 1 0 406.571 2.902 20 0 HFADRO C[C@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@H](C)C(F)(F)F)C(F)(F)F ZINC000805201955 1078953132 /nfs/dbraw/zinc/95/31/32/1078953132.db2.gz KITCYLVCNJCBHQ-OLZOCXBDSA-N 1 0 419.410 2.766 20 0 HFADRO C[C@H](C(=O)N(CCN(C)C(=O)[C@H](C)C(F)(F)F)CC[NH+]1CCCC1)C(F)(F)F ZINC000805201960 1078953147 /nfs/dbraw/zinc/95/31/47/1078953147.db2.gz KITCYLVCNJCBHQ-QWHCGFSZSA-N 1 0 419.410 2.766 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000805176746 1078962120 /nfs/dbraw/zinc/96/21/20/1078962120.db2.gz NQIJCEXIWYRWOD-XLIONFOSSA-N 1 0 402.539 2.817 20 0 HFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 ZINC000805180533 1078964895 /nfs/dbraw/zinc/96/48/95/1078964895.db2.gz KUIRLNKUINSJTO-WMZHIEFXSA-N 1 0 416.610 2.724 20 0 HFADRO COC[C@@]1(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805180795 1078964937 /nfs/dbraw/zinc/96/49/37/1078964937.db2.gz DMAGCZKDABLBHD-UTKZUKDTSA-N 1 0 412.575 2.576 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCCc2ccc(Cl)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000805197970 1078971025 /nfs/dbraw/zinc/97/10/25/1078971025.db2.gz JYHPRIVTYGJXPJ-QFIPXVFZSA-N 1 0 414.937 2.565 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(Cl)c(Cl)nc2C)CC1 ZINC000805216161 1078989821 /nfs/dbraw/zinc/98/98/21/1078989821.db2.gz GWOSPERLKFLPHK-UHFFFAOYSA-N 1 0 404.338 2.896 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000805282436 1079008642 /nfs/dbraw/zinc/00/86/42/1079008642.db2.gz NZMSAUBQUSQKJT-PMACEKPBSA-N 1 0 402.539 2.763 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805274954 1079004643 /nfs/dbraw/zinc/00/46/43/1079004643.db2.gz XMXTYDWIQCKRJB-PXNSSMCTSA-N 1 0 402.539 2.675 20 0 HFADRO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001130138899 1079007689 /nfs/dbraw/zinc/00/76/89/1079007689.db2.gz INRNPDVNJIBWBW-RDBSUJKOSA-N 1 0 418.563 2.802 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1F ZINC000805332380 1079022989 /nfs/dbraw/zinc/02/29/89/1079022989.db2.gz SRSAODAJGWDATB-QAPCUYQASA-N 1 0 411.543 2.555 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CN2c3ccccc3OCCC2=O)c1 ZINC000805309352 1079031969 /nfs/dbraw/zinc/03/19/69/1079031969.db2.gz DWHOPVGSQZVSDD-UHFFFAOYSA-N 1 0 424.501 2.721 20 0 HFADRO COC[C@]1(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000805365826 1079048957 /nfs/dbraw/zinc/04/89/57/1079048957.db2.gz YRVGDLPVIJJARB-XMSQKQJNSA-N 1 0 424.586 2.719 20 0 HFADRO COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000747242259 1079066385 /nfs/dbraw/zinc/06/63/85/1079066385.db2.gz HKIBUJWGMHSABB-KRWDZBQOSA-N 1 0 412.552 2.517 20 0 HFADRO COc1ccccc1CONC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805444870 1079068592 /nfs/dbraw/zinc/06/85/92/1079068592.db2.gz VJCNAIVMNWEUQC-JOCHJYFZSA-N 1 0 424.545 2.729 20 0 HFADRO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)C(=O)OC(C)(C)C ZINC001130229430 1079114875 /nfs/dbraw/zinc/11/48/75/1079114875.db2.gz UIMVVFWMMUQKSJ-INIZCTEOSA-N 1 0 400.523 2.819 20 0 HFADRO CN1C(=O)N[C@](C)(c2ccc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C1=O ZINC001130225585 1079108700 /nfs/dbraw/zinc/10/87/00/1079108700.db2.gz BMCHQWGRULJLCA-GAJHUEQPSA-N 1 0 406.486 2.544 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1 ZINC000747246776 1079123227 /nfs/dbraw/zinc/12/32/27/1079123227.db2.gz GYKMMWBOPZWFKC-KAMYIIQDSA-N 1 0 416.543 2.668 20 0 HFADRO COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000805572046 1079143564 /nfs/dbraw/zinc/14/35/64/1079143564.db2.gz VXTYITFWNCWZAD-HOCLYGCPSA-N 1 0 411.445 2.844 20 0 HFADRO COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC001130259465 1079148458 /nfs/dbraw/zinc/14/84/58/1079148458.db2.gz DXLXYCSGRRPXKZ-SCTDSRPQSA-N 1 0 405.539 2.587 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000747254177 1079168175 /nfs/dbraw/zinc/16/81/75/1079168175.db2.gz NWCRYJISRHJCRZ-ZRELGDGPSA-N 1 0 414.527 2.987 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(CCCc2ccccc2)CC[NH+](C)C)ccc1F ZINC000747255537 1079178031 /nfs/dbraw/zinc/17/80/31/1079178031.db2.gz UMQQAYUTKATLSP-UHFFFAOYSA-N 1 0 422.522 2.797 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000747262523 1079202618 /nfs/dbraw/zinc/20/26/18/1079202618.db2.gz VTTQNRISPKTOCX-SDNWHVSQSA-N 1 0 402.516 2.755 20 0 HFADRO O=C(COC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)NC1CC[NH+](C2CC2)CC1 ZINC000805657658 1079206887 /nfs/dbraw/zinc/20/68/87/1079206887.db2.gz KTZBCAUFEUFHEY-UHFFFAOYSA-N 1 0 414.893 2.697 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)CC1 ZINC000805741961 1079244353 /nfs/dbraw/zinc/24/43/53/1079244353.db2.gz XSISZHWABSTFSP-FQEVSTJZSA-N 1 0 414.594 2.579 20 0 HFADRO Cc1c(C)c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)nnc1-n1ccnc1 ZINC001170488743 1079251411 /nfs/dbraw/zinc/25/14/11/1079251411.db2.gz CBVKCYMDWPKQML-LMDPOFIKSA-N 1 0 419.533 2.651 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3cc(Cl)cn3C)cc2)CC1 ZINC000805787759 1079253570 /nfs/dbraw/zinc/25/35/70/1079253570.db2.gz YWWYVAMERBLOPK-UHFFFAOYSA-N 1 0 404.898 2.616 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCC(N)=O)cc1)C2 ZINC000805794610 1079258826 /nfs/dbraw/zinc/25/88/26/1079258826.db2.gz XONAMYJYUOUAEV-JOCHJYFZSA-N 1 0 403.523 2.774 20 0 HFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000805832922 1079273239 /nfs/dbraw/zinc/27/32/39/1079273239.db2.gz NJHBDJVNYYWAPI-JVVDOCDTSA-N 1 0 408.520 2.643 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805763780 1079265608 /nfs/dbraw/zinc/26/56/08/1079265608.db2.gz XFOVDTLAFKDHNR-QGZVFWFLSA-N 1 0 404.511 2.894 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001130368841 1079266477 /nfs/dbraw/zinc/26/64/77/1079266477.db2.gz BJFUWNQLUJMYOF-KZNAEPCWSA-N 1 0 407.580 2.804 20 0 HFADRO CC[C@@H]1CC([N@@H+]2C[C@H]3CN(CCOC)C(=O)[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170488391 1079266493 /nfs/dbraw/zinc/26/64/93/1079266493.db2.gz GHKGMZPOLUQVLG-MLYOOKFZSA-N 1 0 423.598 2.980 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CC2)cc1C ZINC000805817430 1079289938 /nfs/dbraw/zinc/28/99/38/1079289938.db2.gz MHQAMCAHBUWDTQ-UHFFFAOYSA-N 1 0 414.594 2.724 20 0 HFADRO COCc1nc2sc(C(=O)OC[C@@H]3C[N@H+](CC(C)C)CCO3)c(C)c2c(OC)n1 ZINC000805820087 1079292604 /nfs/dbraw/zinc/29/26/04/1079292604.db2.gz DOPLYXYSKLEDOA-AWEZNQCLSA-N 1 0 423.535 2.668 20 0 HFADRO O=C(C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001170490775 1079301048 /nfs/dbraw/zinc/30/10/48/1079301048.db2.gz OPDONPIQHAFNTN-DNVCBOLYSA-N 1 0 423.439 2.611 20 0 HFADRO CC(C)c1nc2c(ncnc2-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)[nH]1 ZINC001170491036 1079303564 /nfs/dbraw/zinc/30/35/64/1079303564.db2.gz ZPKZVEICLFFXGH-QQFBHYJXSA-N 1 0 407.522 2.848 20 0 HFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC001170491078 1079304212 /nfs/dbraw/zinc/30/42/12/1079304212.db2.gz RNVUYJCTZMRAGQ-RDJZCZTQSA-N 1 0 401.370 2.856 20 0 HFADRO COC[C@]1(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000805862425 1079309318 /nfs/dbraw/zinc/30/93/18/1079309318.db2.gz XIYZYZLGGDIPTO-NJNPRVFISA-N 1 0 424.586 2.671 20 0 HFADRO O=C(c1cccc(C[NH+]2CCCC2)c1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000805868354 1079311505 /nfs/dbraw/zinc/31/15/05/1079311505.db2.gz CBGVPPMOEDHFKI-UHFFFAOYSA-N 1 0 408.545 2.557 20 0 HFADRO CC[C@]1(c2ccc(OC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)NC(=O)NC1=O ZINC000805892561 1079323654 /nfs/dbraw/zinc/32/36/54/1079323654.db2.gz KXYBXVYTRQPYOT-HSZRJFAPSA-N 1 0 407.470 2.946 20 0 HFADRO CC[C@H](C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000805915610 1079330745 /nfs/dbraw/zinc/33/07/45/1079330745.db2.gz IQMQRPGUSKLSIJ-QZTJIDSGSA-N 1 0 421.929 2.845 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000805941895 1079344223 /nfs/dbraw/zinc/34/42/23/1079344223.db2.gz CFGJAUNFBAORJY-CVDCTZTESA-N 1 0 423.557 2.907 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000747281526 1079353051 /nfs/dbraw/zinc/35/30/51/1079353051.db2.gz KRCOMQOPCOOTJU-KRWDZBQOSA-N 1 0 420.506 2.755 20 0 HFADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC001130455002 1079379012 /nfs/dbraw/zinc/37/90/12/1079379012.db2.gz RYHXUFJTEIWLKB-GBESFXJTSA-N 1 0 406.530 2.850 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)cn1 ZINC000747295202 1079396702 /nfs/dbraw/zinc/39/67/02/1079396702.db2.gz WNQHZUZQFYJTDB-UHFFFAOYSA-N 1 0 408.388 2.688 20 0 HFADRO CCNC(=O)Oc1cccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130489317 1079413064 /nfs/dbraw/zinc/41/30/64/1079413064.db2.gz CLVQBIVUANMDNK-VQTJNVASSA-N 1 0 414.506 2.948 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3cccc4nccnc43)cc2)CC1 ZINC001130542231 1079462773 /nfs/dbraw/zinc/46/27/73/1079462773.db2.gz RFZDBCZEJCFWGN-UHFFFAOYSA-N 1 0 405.502 2.898 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC(=O)N(C)[C@@H]3c3ccccc3)cc2)CC1 ZINC000806153759 1079469716 /nfs/dbraw/zinc/46/97/16/1079469716.db2.gz VWZFMXVAYODHBI-QFIPXVFZSA-N 1 0 407.518 2.833 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000806182952 1079477119 /nfs/dbraw/zinc/47/71/19/1079477119.db2.gz IFSYLRAHTXUGRG-WMZOPIPTSA-N 1 0 415.515 2.757 20 0 HFADRO C[C@@H](C[C@H](C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000806183191 1079478046 /nfs/dbraw/zinc/47/80/46/1079478046.db2.gz OYAAWBLOZIRLDG-ULQDDVLXSA-N 1 0 411.568 2.731 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000806248546 1079501749 /nfs/dbraw/zinc/50/17/49/1079501749.db2.gz FNTVPAPOTCYQAH-YOEHRIQHSA-N 1 0 402.520 2.973 20 0 HFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000787332483 1076744804 /nfs/dbraw/zinc/74/48/04/1076744804.db2.gz LNDJXQIMLBDQKC-LMMKCTJWSA-N 1 0 424.586 2.527 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)n[nH]2)C1 ZINC000787333764 1076745593 /nfs/dbraw/zinc/74/55/93/1076745593.db2.gz BEGAIKSKRNBEEU-SJORKVTESA-N 1 0 417.554 2.835 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322286 1076766314 /nfs/dbraw/zinc/76/63/14/1076766314.db2.gz CZESIGJXWQVRAU-RCCFBDPRSA-N 1 0 424.586 2.717 20 0 HFADRO O=C(CCNS(=O)(=O)c1ccccc1F)OCC1CC[NH+](Cc2ccco2)CC1 ZINC000772699825 1076783397 /nfs/dbraw/zinc/78/33/97/1076783397.db2.gz ZCEQJHIAPQXEJU-UHFFFAOYSA-N 1 0 424.494 2.543 20 0 HFADRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CCc1ccc(S(N)(=O)=O)cc1 ZINC000787340174 1076785317 /nfs/dbraw/zinc/78/53/17/1076785317.db2.gz BPIINYCRCAJFAK-UHFFFAOYSA-N 1 0 402.438 2.906 20 0 HFADRO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000746677671 1076792097 /nfs/dbraw/zinc/79/20/97/1076792097.db2.gz SDGIANYKBAKLEH-JKSUJKDBSA-N 1 0 400.548 2.770 20 0 HFADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCOc1cccc(I)c1 ZINC000787355525 1076794925 /nfs/dbraw/zinc/79/49/25/1076794925.db2.gz GOVRAMLTIMALIE-OAHLLOKOSA-N 1 0 404.292 2.763 20 0 HFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC[N@@H+]1C ZINC000787388318 1076805139 /nfs/dbraw/zinc/80/51/39/1076805139.db2.gz UKUHXUIFBXKFML-OAGGEKHMSA-N 1 0 405.543 2.689 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)C[NH2+][C@H](C)CCCC(C)C)ccc12 ZINC001170072920 1076808947 /nfs/dbraw/zinc/80/89/47/1076808947.db2.gz FQFCWRYSQOJZNZ-MRXNPFEDSA-N 1 0 401.507 2.961 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)n1 ZINC000787403237 1076809224 /nfs/dbraw/zinc/80/92/24/1076809224.db2.gz OLHJQINRJXOOQO-UHFFFAOYSA-N 1 0 408.388 2.688 20 0 HFADRO CN1CC[NH+](CC2CCN(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)CC2)CC1 ZINC000787436750 1076810786 /nfs/dbraw/zinc/81/07/86/1076810786.db2.gz HXIIGODEPIWFQK-UHFFFAOYSA-N 1 0 418.542 2.836 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787448193 1076814852 /nfs/dbraw/zinc/81/48/52/1076814852.db2.gz BQFOBAQHKRBWEL-FRQCXROJSA-N 1 0 417.554 2.690 20 0 HFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787435124 1076822603 /nfs/dbraw/zinc/82/26/03/1076822603.db2.gz YUYSOBYIDSFDLD-DLBZAZTESA-N 1 0 419.570 2.842 20 0 HFADRO CCN1C(=O)c2ccc(C(=O)Nc3ccc(C[NH+](CC)CC)cc3)cc2S1(=O)=O ZINC000787507974 1076829673 /nfs/dbraw/zinc/82/96/73/1076829673.db2.gz QCDVYRTZZYVCST-UHFFFAOYSA-N 1 0 415.515 2.945 20 0 HFADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)Nc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000787546056 1076855324 /nfs/dbraw/zinc/85/53/24/1076855324.db2.gz YDVLJMDUOPOTKC-UHFFFAOYSA-N 1 0 412.578 2.769 20 0 HFADRO Cc1cscc1CNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000787587384 1076861264 /nfs/dbraw/zinc/86/12/64/1076861264.db2.gz KSXMMWFWJKYODL-UHFFFAOYSA-N 1 0 400.548 2.842 20 0 HFADRO COC(=O)c1c[nH]c2c1cccc2N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170074927 1076861772 /nfs/dbraw/zinc/86/17/72/1076861772.db2.gz NKVIRXPRZVSUQW-UHFFFAOYSA-N 1 0 424.482 2.657 20 0 HFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746697333 1076864399 /nfs/dbraw/zinc/86/43/99/1076864399.db2.gz SFKWVAWNHRBMPL-QGZVFWFLSA-N 1 0 422.554 2.808 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCC(C)(C)C[NH+]3CCCC3)[nH]n2)C1 ZINC000787578649 1076870629 /nfs/dbraw/zinc/87/06/29/1076870629.db2.gz WDNLFUBNWJJCQR-MRXNPFEDSA-N 1 0 419.570 2.986 20 0 HFADRO CC(C)(C)Oc1ccnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1 ZINC001170076307 1076893014 /nfs/dbraw/zinc/89/30/14/1076893014.db2.gz YKUBBXNSXWKVGZ-UHFFFAOYSA-N 1 0 400.504 2.961 20 0 HFADRO COc1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c2ccncc12 ZINC001170075983 1076903118 /nfs/dbraw/zinc/90/31/18/1076903118.db2.gz PILXTEMIPGJYGX-UHFFFAOYSA-N 1 0 408.483 2.946 20 0 HFADRO COCC[NH+](CCOC)C1CCN(CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC001170076047 1076904052 /nfs/dbraw/zinc/90/40/52/1076904052.db2.gz XZNDIXAYFCYNSN-HXUWFJFHSA-N 1 0 407.580 2.549 20 0 HFADRO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000787720403 1076907241 /nfs/dbraw/zinc/90/72/41/1076907241.db2.gz WZBCTLYUZZUYOS-UHFFFAOYSA-N 1 0 406.486 2.752 20 0 HFADRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000787688677 1076912858 /nfs/dbraw/zinc/91/28/58/1076912858.db2.gz KQQXQAZPVCJYND-RDTXWAMCSA-N 1 0 422.513 2.550 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000787703312 1076918539 /nfs/dbraw/zinc/91/85/39/1076918539.db2.gz AYAAZIQHMHBAJT-NHCUHLMSSA-N 1 0 414.594 2.518 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000787709553 1076921640 /nfs/dbraw/zinc/92/16/40/1076921640.db2.gz XVPSRLKMFWJTFJ-XQBPLPMBSA-N 1 0 415.578 2.755 20 0 HFADRO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000787752369 1076926810 /nfs/dbraw/zinc/92/68/10/1076926810.db2.gz XKLRFDUIRQLPSY-SIKLNZKXSA-N 1 0 419.591 2.837 20 0 HFADRO CCOC(=O)N1CCC([NH2+][C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000787764031 1076930911 /nfs/dbraw/zinc/93/09/11/1076930911.db2.gz XFRHXWGEFMWMFN-ZWKOTPCHSA-N 1 0 411.543 2.611 20 0 HFADRO C[N@H+](CC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000787783229 1076944763 /nfs/dbraw/zinc/94/47/63/1076944763.db2.gz PMZYNBGVCOIFMZ-LJQANCHMSA-N 1 0 405.564 2.589 20 0 HFADRO COc1cc([C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)ccc1OC(C)C ZINC000787869299 1076966601 /nfs/dbraw/zinc/96/66/01/1076966601.db2.gz BAQARPIWJKNDDH-IRXDYDNUSA-N 1 0 405.539 2.650 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1)[NH+]1CCCCC1 ZINC000787869805 1076967595 /nfs/dbraw/zinc/96/75/95/1076967595.db2.gz DHKAERZRYOAOMY-MOPGFXCFSA-N 1 0 424.545 2.828 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3ccnc3C)nc2)cc1 ZINC000787881269 1076975126 /nfs/dbraw/zinc/97/51/26/1076975126.db2.gz ZAAIGYSQVHUFMU-UHFFFAOYSA-N 1 0 420.517 2.672 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000787892332 1076980372 /nfs/dbraw/zinc/98/03/72/1076980372.db2.gz XCRHHYUKMFPBMF-KURKYZTESA-N 1 0 407.605 2.963 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000787892549 1076980373 /nfs/dbraw/zinc/98/03/73/1076980373.db2.gz BSUWZILTSAPIOA-GTPZEUEISA-N 1 0 417.550 2.905 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000787893425 1076980899 /nfs/dbraw/zinc/98/08/99/1076980899.db2.gz FFCNCDKRHFMBAN-RBUKOAKNSA-N 1 0 421.607 2.791 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 ZINC000787894475 1076981422 /nfs/dbraw/zinc/98/14/22/1076981422.db2.gz KXFJUMHRZHAMIJ-UHFFFAOYSA-N 1 0 415.578 2.561 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787903156 1076988045 /nfs/dbraw/zinc/98/80/45/1076988045.db2.gz KEDCAGGLDDFFNI-RNQSCQIESA-N 1 0 415.578 2.704 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000787904492 1076988580 /nfs/dbraw/zinc/98/85/80/1076988580.db2.gz SZGLKUWUKHXTDX-SIKLNZKXSA-N 1 0 415.578 2.729 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)Cc1ccn(-c2ccccc2)n1 ZINC000787903926 1076988963 /nfs/dbraw/zinc/98/89/63/1076988963.db2.gz ORYWIAHTBRMOMW-IBGZPJMESA-N 1 0 411.550 2.602 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000787906877 1076990012 /nfs/dbraw/zinc/99/00/12/1076990012.db2.gz VKURJNQBHLIBPR-INIZCTEOSA-N 1 0 412.456 2.566 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000787909289 1076990914 /nfs/dbraw/zinc/99/09/14/1076990914.db2.gz MICFLVSENSVHAX-KNQAVFIVSA-N 1 0 415.578 2.587 20 0 HFADRO CCc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000787913596 1076992720 /nfs/dbraw/zinc/99/27/20/1076992720.db2.gz WJTBPSKKMATLBH-FQEVSTJZSA-N 1 0 414.594 2.526 20 0 HFADRO CC(C)[C@H](NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)C(F)(F)F ZINC000787963628 1077010587 /nfs/dbraw/zinc/01/05/87/1077010587.db2.gz RZWHVLSNSYMTDZ-KRWDZBQOSA-N 1 0 414.472 2.859 20 0 HFADRO C[N@H+](CCOc1cccc(CNC(=O)NOCc2cccnc2)c1)C1CCOCC1 ZINC000746723501 1077011019 /nfs/dbraw/zinc/01/10/19/1077011019.db2.gz YYLFQPMBNLRLBX-UHFFFAOYSA-N 1 0 414.506 2.502 20 0 HFADRO Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCCC[NH+]1CCCC1 ZINC000787971917 1077013334 /nfs/dbraw/zinc/01/33/34/1077013334.db2.gz WFBJBQIZNXVOFS-UHFFFAOYSA-N 1 0 406.504 2.709 20 0 HFADRO O=C(OCCC[NH+]1CCCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000787973112 1077013763 /nfs/dbraw/zinc/01/37/63/1077013763.db2.gz WFOUTIQLPXRXHC-UHFFFAOYSA-N 1 0 402.516 2.808 20 0 HFADRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000787996718 1077022536 /nfs/dbraw/zinc/02/25/36/1077022536.db2.gz ZKAYIGGJFBNJJC-QAPCUYQASA-N 1 0 406.552 2.654 20 0 HFADRO C[C@H]1[C@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000787998998 1077023891 /nfs/dbraw/zinc/02/38/91/1077023891.db2.gz GWUGTJYFLAERPI-QFBILLFUSA-N 1 0 402.539 2.808 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)c2cccnc2I)cc1 ZINC000788003249 1077025698 /nfs/dbraw/zinc/02/56/98/1077025698.db2.gz IHOKDYBRCXOTBH-UHFFFAOYSA-N 1 0 409.271 2.720 20 0 HFADRO O=C(OCCC[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000787982460 1077031581 /nfs/dbraw/zinc/03/15/81/1077031581.db2.gz HEEQKTOFYSQWGM-UHFFFAOYSA-N 1 0 400.928 2.767 20 0 HFADRO Cn1cc(N2CCC[C@H](OC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2=O)cn1 ZINC000772712202 1077040180 /nfs/dbraw/zinc/04/01/80/1077040180.db2.gz VRGVCZVEIYBABN-FQEVSTJZSA-N 1 0 410.518 2.761 20 0 HFADRO C[NH+]1CCN(c2cc(CNC(=O)c3ccc(C(F)(F)F)nc3Cl)ccn2)CC1 ZINC000772713232 1077054965 /nfs/dbraw/zinc/05/49/65/1077054965.db2.gz KNSPKLKYCWRFMN-UHFFFAOYSA-N 1 0 413.831 2.831 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000746725736 1077056042 /nfs/dbraw/zinc/05/60/42/1077056042.db2.gz ISONPBHKOTVWEC-UHFFFAOYSA-N 1 0 412.490 2.583 20 0 HFADRO COc1cccc([C@H](CNC(=O)c2cnc(Br)c(OC)c2)[NH+](C)C)c1 ZINC000788151006 1077069123 /nfs/dbraw/zinc/06/91/23/1077069123.db2.gz CBOGAEYCTBECQF-HNNXBMFYSA-N 1 0 408.296 2.894 20 0 HFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731551 1077070626 /nfs/dbraw/zinc/07/06/26/1077070626.db2.gz RTLAOTFVCDXNGS-MRXNPFEDSA-N 1 0 400.445 2.605 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)CC1 ZINC000746732539 1077070893 /nfs/dbraw/zinc/07/08/93/1077070893.db2.gz KLGGSWWOKSGYDM-UHFFFAOYSA-N 1 0 404.511 2.963 20 0 HFADRO COc1cc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cnc1Br ZINC000788224001 1077082726 /nfs/dbraw/zinc/08/27/26/1077082726.db2.gz QLSAJDOGZWQUDS-UHFFFAOYSA-N 1 0 404.308 2.682 20 0 HFADRO COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)ccc1OCC(N)=O ZINC000788242684 1077085316 /nfs/dbraw/zinc/08/53/16/1077085316.db2.gz QSZGGGDWMIVULA-SJORKVTESA-N 1 0 421.538 2.875 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NOC[C@@H]2CCOC2)ccc1Cl ZINC000788297114 1077090998 /nfs/dbraw/zinc/09/09/98/1077090998.db2.gz QCAZUUXCDGKYRB-CQSZACIVSA-N 1 0 412.918 2.501 20 0 HFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000788305242 1077092922 /nfs/dbraw/zinc/09/29/22/1077092922.db2.gz ONZXRRPLLKEDAP-DUXKGJEZSA-N 1 0 424.545 2.672 20 0 HFADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc(Br)[nH]n1 ZINC000788290024 1077098908 /nfs/dbraw/zinc/09/89/08/1077098908.db2.gz YXBBPQFVUVPRCZ-UHFFFAOYSA-N 1 0 404.312 2.957 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000788337548 1077107312 /nfs/dbraw/zinc/10/73/12/1077107312.db2.gz CCKBBKNIZFIAMA-OALUTQOASA-N 1 0 418.582 2.819 20 0 HFADRO CC(C)(C)SCCNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000788366363 1077128539 /nfs/dbraw/zinc/12/85/39/1077128539.db2.gz XAKJOBSDFBOXQB-UHFFFAOYSA-N 1 0 409.518 2.556 20 0 HFADRO Cn1cc(-c2ccc(=O)n(CN3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)n2)cn1 ZINC000788373599 1077132365 /nfs/dbraw/zinc/13/23/65/1077132365.db2.gz MEBMXWWKWGMABK-DEOSSOPVSA-N 1 0 418.545 2.589 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000788428762 1077143416 /nfs/dbraw/zinc/14/34/16/1077143416.db2.gz GLIHQDFHHJTIRD-SNRMKQJTSA-N 1 0 421.538 2.792 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000788428763 1077143485 /nfs/dbraw/zinc/14/34/85/1077143485.db2.gz GLIHQDFHHJTIRD-ZYSHUDEJSA-N 1 0 421.538 2.792 20 0 HFADRO Cc1cccc(C[NH+]2CCN(CCN3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000788468785 1077169610 /nfs/dbraw/zinc/16/96/10/1077169610.db2.gz BCPDCUJSWPRAER-UHFFFAOYSA-N 1 0 402.583 2.665 20 0 HFADRO Cn1ccc(N2CCC[C@@H](OC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2=O)n1 ZINC000772719851 1077172146 /nfs/dbraw/zinc/17/21/46/1077172146.db2.gz XBIGBPZTWSYFLZ-LJQANCHMSA-N 1 0 410.518 2.761 20 0 HFADRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cnc1Br ZINC000788514985 1077187953 /nfs/dbraw/zinc/18/79/53/1077187953.db2.gz BADYLTMTBPCTEC-UHFFFAOYSA-N 1 0 408.296 2.762 20 0 HFADRO C[C@H]1C[C@@H](CCNC(=O)C(=O)NCCSC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000788546845 1077196461 /nfs/dbraw/zinc/19/64/61/1077196461.db2.gz MBUYENWLLWNKMY-GOEBONIOSA-N 1 0 417.497 2.773 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000788546799 1077196486 /nfs/dbraw/zinc/19/64/86/1077196486.db2.gz FRTYMYAZOVITIE-UHFFFAOYSA-N 1 0 403.552 2.577 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788563189 1077201777 /nfs/dbraw/zinc/20/17/77/1077201777.db2.gz OMHCMENOMBGVJR-CGTJXYLNSA-N 1 0 409.452 2.764 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788563190 1077201795 /nfs/dbraw/zinc/20/17/95/1077201795.db2.gz OMHCMENOMBGVJR-JQHSSLGASA-N 1 0 409.452 2.764 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)NC[C@]3(O)CCO[C@@H]3C)cc2Cl)CC1 ZINC000788576430 1077211208 /nfs/dbraw/zinc/21/12/08/1077211208.db2.gz IRNBIBCGASYNID-FOIQADDNSA-N 1 0 410.946 2.533 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)NC[C@@]3(O)CCO[C@H]3C)cc2Cl)CC1 ZINC000788576441 1077211223 /nfs/dbraw/zinc/21/12/23/1077211223.db2.gz IRNBIBCGASYNID-YWZLYKJASA-N 1 0 410.946 2.533 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000788592582 1077216248 /nfs/dbraw/zinc/21/62/48/1077216248.db2.gz LHNBJADQJGSWNS-MJGOQNOKSA-N 1 0 410.603 2.554 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c(C)c1Cl ZINC000788593562 1077216456 /nfs/dbraw/zinc/21/64/56/1077216456.db2.gz UEFFSLNUTOLPCQ-UHFFFAOYSA-N 1 0 408.973 2.990 20 0 HFADRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CC(=O)NCC(=O)c3cccs3)C2)s1 ZINC001170086776 1077216692 /nfs/dbraw/zinc/21/66/92/1077216692.db2.gz XDPJVFZDYXQMSJ-INIZCTEOSA-N 1 0 405.589 2.871 20 0 HFADRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000788605593 1077221311 /nfs/dbraw/zinc/22/13/11/1077221311.db2.gz ATKGVKIKNFPARD-GUDVDZBRSA-N 1 0 418.538 2.934 20 0 HFADRO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)C3CN(C(=O)OC(C)(C)C)C3)C2=O)cc1 ZINC000788646044 1077223726 /nfs/dbraw/zinc/22/37/26/1077223726.db2.gz QIMRRLMGGHGPMJ-BEFAXECRSA-N 1 0 403.523 2.641 20 0 HFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788653299 1077226677 /nfs/dbraw/zinc/22/66/77/1077226677.db2.gz FGZPFSQGBZTWBZ-DZFGPLHGSA-N 1 0 424.545 2.815 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)=NO1 ZINC000788620413 1077230778 /nfs/dbraw/zinc/23/07/78/1077230778.db2.gz DXWQMDLAMWEFQT-WBVHZDCISA-N 1 0 420.510 2.592 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)=NO1 ZINC000788621895 1077232160 /nfs/dbraw/zinc/23/21/60/1077232160.db2.gz YFLLLUXDNQTIMW-HOCLYGCPSA-N 1 0 422.551 2.671 20 0 HFADRO Cn1ccnc1[C@H]1CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000790928434 1077235507 /nfs/dbraw/zinc/23/55/07/1077235507.db2.gz WPQQAOPRAVTEOS-IBGZPJMESA-N 1 0 411.550 2.982 20 0 HFADRO CC[NH+]1CCC(CCNS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788635922 1077240307 /nfs/dbraw/zinc/24/03/07/1077240307.db2.gz WSNVKVGYJMRBSW-UHFFFAOYSA-N 1 0 408.973 2.897 20 0 HFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788636388 1077240331 /nfs/dbraw/zinc/24/03/31/1077240331.db2.gz GUYZLBWNLCEZEH-FFZOFVMBSA-N 1 0 410.518 2.569 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3nc(Cl)nc4ncn(C)c43)nc3ccc(C)cc3n12 ZINC001170145974 1077245621 /nfs/dbraw/zinc/24/56/21/1077245621.db2.gz HRZSOYKTCQAWCT-UHFFFAOYSA-N 1 0 421.896 2.926 20 0 HFADRO CC1(C)NC(=O)N(CCCOC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000772722709 1077251143 /nfs/dbraw/zinc/25/11/43/1077251143.db2.gz GZHIMHQUMHMXMI-UHFFFAOYSA-N 1 0 401.507 2.552 20 0 HFADRO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788662403 1077257736 /nfs/dbraw/zinc/25/77/36/1077257736.db2.gz XVUAPPKOJUYORL-SFHVURJKSA-N 1 0 422.614 2.556 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788667084 1077260362 /nfs/dbraw/zinc/26/03/62/1077260362.db2.gz FLGOMEVEBGMEAU-WBVHZDCISA-N 1 0 420.554 2.826 20 0 HFADRO Cc1cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1N1CCSCC1 ZINC000790975595 1077268180 /nfs/dbraw/zinc/26/81/80/1077268180.db2.gz RDZYOLAJUIXOCD-LJQANCHMSA-N 1 0 418.607 2.723 20 0 HFADRO CNc1cnc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)cc1C(=O)OC ZINC001170146802 1077268597 /nfs/dbraw/zinc/26/85/97/1077268597.db2.gz PTFFERQGJDWGGD-UHFFFAOYSA-N 1 0 419.489 2.819 20 0 HFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788716350 1077269215 /nfs/dbraw/zinc/26/92/15/1077269215.db2.gz VUUYDIKBUVHAGH-PZJWPPBQSA-N 1 0 400.567 2.941 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3nc(Cl)nc4c3COC4=O)nc3ccc(C)cc3n12 ZINC001170147363 1077279974 /nfs/dbraw/zinc/27/99/74/1077279974.db2.gz XFBLFYVIJXHORG-UHFFFAOYSA-N 1 0 423.864 2.710 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000788766117 1077281737 /nfs/dbraw/zinc/28/17/37/1077281737.db2.gz NRLULJCPKUXRLS-HXUWFJFHSA-N 1 0 416.566 2.517 20 0 HFADRO C[C@@]1(CNC(=O)Cc2ccccc2S(C)(=O)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000791054943 1077284791 /nfs/dbraw/zinc/28/47/91/1077284791.db2.gz GNIXBNFBVLBVPX-QFIPXVFZSA-N 1 0 400.544 2.661 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000791063829 1077287000 /nfs/dbraw/zinc/28/70/00/1077287000.db2.gz YKBFRWAOEQAAAV-SFHVURJKSA-N 1 0 422.533 2.690 20 0 HFADRO CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(O)CCCCC2)C1=O ZINC000788811955 1077295278 /nfs/dbraw/zinc/29/52/78/1077295278.db2.gz LWYCLQWOHZLCGW-RBUKOAKNSA-N 1 0 402.535 2.955 20 0 HFADRO COCCS(=O)(=O)c1ccc(C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788781980 1077300310 /nfs/dbraw/zinc/30/03/10/1077300310.db2.gz ICOSUZVDQXPMMC-UHFFFAOYSA-N 1 0 424.563 2.596 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cc(-n4ccnc4)nc(C)n3)nc3ccc(C)cc3n12 ZINC001170148672 1077300780 /nfs/dbraw/zinc/30/07/80/1077300780.db2.gz CADCBEGDBZLZFL-UHFFFAOYSA-N 1 0 413.489 2.880 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000788816928 1077307466 /nfs/dbraw/zinc/30/74/66/1077307466.db2.gz WYSXUGLVTLSGIO-PMACEKPBSA-N 1 0 413.562 2.924 20 0 HFADRO CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000788842470 1077317009 /nfs/dbraw/zinc/31/70/09/1077317009.db2.gz IDJVXDDLIPLSSV-UHFFFAOYSA-N 1 0 417.531 2.724 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)C1 ZINC000788851328 1077319909 /nfs/dbraw/zinc/31/99/09/1077319909.db2.gz UKOBHTDIWCXJCT-IBGZPJMESA-N 1 0 424.973 2.892 20 0 HFADRO CC(C)[C@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H](O)c1ccccc1 ZINC000788861635 1077322573 /nfs/dbraw/zinc/32/25/73/1077322573.db2.gz VDFVQWSGBMWIRX-BJKOFHAPSA-N 1 0 424.589 2.991 20 0 HFADRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)C1CCCCC1 ZINC000788881643 1077328526 /nfs/dbraw/zinc/32/85/26/1077328526.db2.gz LJUXWJFEZPEKBU-MRXNPFEDSA-N 1 0 421.485 2.976 20 0 HFADRO CN(C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)c1ccc(OCC[NH+](C)C)cc1 ZINC000788855153 1077334669 /nfs/dbraw/zinc/33/46/69/1077334669.db2.gz LQTJWGFKKLCIBX-GOSISDBHSA-N 1 0 403.523 2.847 20 0 HFADRO COC(=O)c1ccc(N)c(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)c1 ZINC001170150434 1077340976 /nfs/dbraw/zinc/34/09/76/1077340976.db2.gz VCAATLGYILFDLW-UHFFFAOYSA-N 1 0 404.474 2.965 20 0 HFADRO C[C@H](CCNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)[N@H+](C)Cc1ccccc1 ZINC000746774554 1077342395 /nfs/dbraw/zinc/34/23/95/1077342395.db2.gz QHUFSKGJWCVPOU-WBVHZDCISA-N 1 0 414.472 2.702 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000788902468 1077345405 /nfs/dbraw/zinc/34/54/05/1077345405.db2.gz GXQVQKNNICRTEB-GOSISDBHSA-N 1 0 421.582 2.642 20 0 HFADRO O=C1OCc2ccc(S(=O)(=O)N[C@@H](C[NH+]3CCCCC3)c3ccccc3)cc21 ZINC000788914944 1077352980 /nfs/dbraw/zinc/35/29/80/1077352980.db2.gz CGESQXUEFVFJNL-FQEVSTJZSA-N 1 0 400.500 2.863 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cc(C)c4nnn(C)c4n3)nc3ccc(C)cc3n12 ZINC001170152135 1077357588 /nfs/dbraw/zinc/35/75/88/1077357588.db2.gz UNQJZQOPXJQPFV-UHFFFAOYSA-N 1 0 401.478 2.581 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000788958563 1077362950 /nfs/dbraw/zinc/36/29/50/1077362950.db2.gz TZWGCNFLBVWYLD-KRWDZBQOSA-N 1 0 418.538 2.847 20 0 HFADRO Brc1ccc(C[NH2+]CCc2nnc3ccccn32)c(N2CCOCC2)c1 ZINC000788958904 1077363415 /nfs/dbraw/zinc/36/34/15/1077363415.db2.gz NRZUAMOHRBQKKL-UHFFFAOYSA-N 1 0 416.323 2.661 20 0 HFADRO CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000791302473 1077364203 /nfs/dbraw/zinc/36/42/03/1077364203.db2.gz XPJNEWUNXPJRPD-GOSISDBHSA-N 1 0 403.523 2.644 20 0 HFADRO COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000789062675 1077395051 /nfs/dbraw/zinc/39/50/51/1077395051.db2.gz QCGQELDDWOVLIT-HNNXBMFYSA-N 1 0 401.482 2.732 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000791444797 1077409771 /nfs/dbraw/zinc/40/97/71/1077409771.db2.gz ZWZKIINJXRZRKS-OAQYLSRUSA-N 1 0 401.551 2.641 20 0 HFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2nc(Br)ccc2F)cc1 ZINC000791513928 1077451464 /nfs/dbraw/zinc/45/14/64/1077451464.db2.gz XFHZREUBYPRFLF-UHFFFAOYSA-N 1 0 409.259 2.527 20 0 HFADRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000791564862 1077482077 /nfs/dbraw/zinc/48/20/77/1077482077.db2.gz AQKCFLWENQITQY-BPWNKSKLSA-N 1 0 407.923 2.975 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000789226395 1077482872 /nfs/dbraw/zinc/48/28/72/1077482872.db2.gz HXYUQYPQTHSVSV-OAQYLSRUSA-N 1 0 423.513 2.638 20 0 HFADRO C[C@@H](OC(=O)[C@H]1CCC(=O)c2cccn21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000789227025 1077483270 /nfs/dbraw/zinc/48/32/70/1077483270.db2.gz JVYAMCGBNNEAHI-DYESRHJHSA-N 1 0 423.513 2.718 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1N1CCOC1=O ZINC000746797955 1077488448 /nfs/dbraw/zinc/48/84/48/1077488448.db2.gz QHCUSNKIGCKPQP-QGZVFWFLSA-N 1 0 424.501 2.527 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000791594207 1077496412 /nfs/dbraw/zinc/49/64/12/1077496412.db2.gz ZBXUUFPNPFQJCJ-QGZVFWFLSA-N 1 0 407.942 2.652 20 0 HFADRO Cc1ccc([C@@H]2CC[N@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)c(C)c1 ZINC000791606566 1077502984 /nfs/dbraw/zinc/50/29/84/1077502984.db2.gz VCVOTKXZIBZXIT-GOSISDBHSA-N 1 0 412.534 2.769 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791641815 1077506215 /nfs/dbraw/zinc/50/62/15/1077506215.db2.gz LBDZZSJZFPLPAO-FDDCHVKYSA-N 1 0 423.513 2.930 20 0 HFADRO C[C@H](OC(=O)[C@H]1CC(=O)c2ccccc21)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789306123 1077507853 /nfs/dbraw/zinc/50/78/53/1077507853.db2.gz CAMXWZFYSWJMLA-MDKPJZGXSA-N 1 0 406.482 2.679 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NC(=O)NCc1ccccc1 ZINC000789314514 1077511152 /nfs/dbraw/zinc/51/11/52/1077511152.db2.gz XCZCWMCIDPMBRU-UHFFFAOYSA-N 1 0 416.909 2.852 20 0 HFADRO COC(=O)[C@]1(NC(=O)c2ccnn2-c2ccccc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000791634597 1077520775 /nfs/dbraw/zinc/52/07/75/1077520775.db2.gz RAEWGWREMNODMY-DEOSSOPVSA-N 1 0 418.497 2.810 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000791707674 1077521729 /nfs/dbraw/zinc/52/17/29/1077521729.db2.gz YCMPTOQLKWLDHB-VZPUWSDOSA-N 1 0 423.513 2.834 20 0 HFADRO C[C@@H]1CN(CC[N@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000789329921 1077522918 /nfs/dbraw/zinc/52/29/18/1077522918.db2.gz QLUURACRPYIOFK-KDURUIRLSA-N 1 0 401.551 2.884 20 0 HFADRO O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000746805718 1077533146 /nfs/dbraw/zinc/53/31/46/1077533146.db2.gz DGIYRBKXKPSVCP-DLBZAZTESA-N 1 0 401.429 2.814 20 0 HFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000791714174 1077536256 /nfs/dbraw/zinc/53/62/56/1077536256.db2.gz LERSGAJYJAMMNP-MRXNPFEDSA-N 1 0 423.583 2.789 20 0 HFADRO COc1cccc(/C=C(/C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)n2nnnc2C)c1 ZINC000791716382 1077536550 /nfs/dbraw/zinc/53/65/50/1077536550.db2.gz ULWHBZLVSMZGMR-PEDNONETSA-N 1 0 420.517 2.796 20 0 HFADRO C[NH+]1CCC(CNC(=S)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)CC1 ZINC000789360243 1077537680 /nfs/dbraw/zinc/53/76/80/1077537680.db2.gz WEYIKCGTLNNHBK-NRFANRHFSA-N 1 0 415.563 2.540 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CCc3ccc(C)o3)CC2)cc1 ZINC000747036455 1077538768 /nfs/dbraw/zinc/53/87/68/1077538768.db2.gz JJJDVXDMDDWKJF-UHFFFAOYSA-N 1 0 414.502 2.807 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000789378240 1077547514 /nfs/dbraw/zinc/54/75/14/1077547514.db2.gz PSLJTMYLBFYSGM-MRXNPFEDSA-N 1 0 402.882 2.717 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791753412 1077552775 /nfs/dbraw/zinc/55/27/75/1077552775.db2.gz VQIHLIROEPJZLF-MRXNPFEDSA-N 1 0 418.538 2.683 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000791764967 1077556960 /nfs/dbraw/zinc/55/69/60/1077556960.db2.gz DSNLWAKMSZZCKS-IBGZPJMESA-N 1 0 407.942 2.652 20 0 HFADRO COc1ccc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(C)cc2)cc1F ZINC000789405027 1077561838 /nfs/dbraw/zinc/56/18/38/1077561838.db2.gz QIJIQRIGSROIQS-UHFFFAOYSA-O 1 0 400.459 2.882 20 0 HFADRO CC(C)Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000746806845 1077565132 /nfs/dbraw/zinc/56/51/32/1077565132.db2.gz HVKFSQCIZZZCHD-HXUWFJFHSA-N 1 0 411.550 2.680 20 0 HFADRO Cc1nccn1-c1ccc(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000746808140 1077566022 /nfs/dbraw/zinc/56/60/22/1077566022.db2.gz FWHIICCZDRNCOP-KRWDZBQOSA-N 1 0 420.517 2.541 20 0 HFADRO O=C(CN1C(=O)COc2ccc(Cl)cc21)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791822495 1077567643 /nfs/dbraw/zinc/56/76/43/1077567643.db2.gz IYYDZVFNTATUHU-QGZVFWFLSA-N 1 0 413.905 2.704 20 0 HFADRO COC(=O)c1n[nH]c2ccc(NC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc21 ZINC000791821885 1077568015 /nfs/dbraw/zinc/56/80/15/1077568015.db2.gz GAWAZLMRAISHCB-MRXNPFEDSA-N 1 0 407.474 2.993 20 0 HFADRO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791827759 1077576235 /nfs/dbraw/zinc/57/62/35/1077576235.db2.gz IVPUTGNUZDTFEC-SFHVURJKSA-N 1 0 422.497 2.864 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000791828656 1077576902 /nfs/dbraw/zinc/57/69/02/1077576902.db2.gz NQIFYMKIXKRWPP-SFHVURJKSA-N 1 0 406.461 2.624 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccn2c(Br)cnc12 ZINC000791828935 1077576932 /nfs/dbraw/zinc/57/69/32/1077576932.db2.gz RNXDZJZGHSGJGF-OAHLLOKOSA-N 1 0 414.307 2.744 20 0 HFADRO CC(C)Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n(C)n1 ZINC000746814395 1077577347 /nfs/dbraw/zinc/57/73/47/1077577347.db2.gz SKAZDCMMQKNAJW-QGZVFWFLSA-N 1 0 405.930 2.630 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000746813774 1077578617 /nfs/dbraw/zinc/57/86/17/1077578617.db2.gz ZIBOWJNMDNGCFR-INIZCTEOSA-N 1 0 412.490 2.830 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814713 1077582285 /nfs/dbraw/zinc/58/22/85/1077582285.db2.gz CGUISMANAIEWOP-FGZHOGPDSA-N 1 0 409.530 2.904 20 0 HFADRO Cc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)nnn1-c1cccc2cccnc21 ZINC000791885927 1077586344 /nfs/dbraw/zinc/58/63/44/1077586344.db2.gz XAJANEJQICVPGZ-UHFFFAOYSA-N 1 0 422.533 2.697 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000791876098 1077595150 /nfs/dbraw/zinc/59/51/50/1077595150.db2.gz QINCMFPSYQTCKM-QFIPXVFZSA-N 1 0 401.551 2.700 20 0 HFADRO CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000791938850 1077600105 /nfs/dbraw/zinc/60/01/05/1077600105.db2.gz IHOAUAZFNGBZEG-HDICACEKSA-N 1 0 416.518 2.823 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000791913853 1077608681 /nfs/dbraw/zinc/60/86/81/1077608681.db2.gz XGWHZBUPZOKNFP-FPOVZHCZSA-N 1 0 421.969 2.819 20 0 HFADRO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@@H]3CCN(Cc4ccccc4)C3=O)c2cc1C ZINC000789523402 1077619672 /nfs/dbraw/zinc/61/96/72/1077619672.db2.gz YTWCGOWUOKKKFM-IFMALSPDSA-N 1 0 406.530 2.747 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)C3(NC(=O)OC(C)(C)C)CCCCC3)cn2)CC1 ZINC000746823754 1077629924 /nfs/dbraw/zinc/62/99/24/1077629924.db2.gz QJJZSJMJUBSNDJ-UHFFFAOYSA-N 1 0 417.554 3.000 20 0 HFADRO C[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792004165 1077644760 /nfs/dbraw/zinc/64/47/60/1077644760.db2.gz GCTZCJXBRBICFH-KRWDZBQOSA-N 1 0 404.555 2.906 20 0 HFADRO Cc1csc([C@](O)(CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C(F)(F)F)n1 ZINC000746832335 1077649393 /nfs/dbraw/zinc/64/93/93/1077649393.db2.gz CNYOEDNPWYRIEV-MAUKXSAKSA-N 1 0 415.481 2.881 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)CC3(NC(=O)OC(C)(C)C)CCC3)nc2)CC1 ZINC000746831860 1077658325 /nfs/dbraw/zinc/65/83/25/1077658325.db2.gz GGGZPWQLXXWYTM-UHFFFAOYSA-N 1 0 403.527 2.609 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](c3cccs3)[NH+](C)C)C2)c1 ZINC000792031142 1077659033 /nfs/dbraw/zinc/65/90/33/1077659033.db2.gz VNSTWBAFXKJTHD-SJLPKXTDSA-N 1 0 403.504 2.677 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)C2)c1 ZINC000792056675 1077661280 /nfs/dbraw/zinc/66/12/80/1077661280.db2.gz HXWMZURUJWRKGN-HRAATJIYSA-N 1 0 403.523 2.825 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000746828068 1077668164 /nfs/dbraw/zinc/66/81/64/1077668164.db2.gz JJDKUEKYXIZCGH-IBGZPJMESA-N 1 0 418.582 2.818 20 0 HFADRO CC(C)(C)OC(=O)NCCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792062987 1077671386 /nfs/dbraw/zinc/67/13/86/1077671386.db2.gz XLDNNNAIANOVJP-UHFFFAOYSA-N 1 0 408.465 2.616 20 0 HFADRO CC(C)c1cccc2c1CC[N@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC000789555093 1077673104 /nfs/dbraw/zinc/67/31/04/1077673104.db2.gz SAKJXYAGAGAAGM-UHFFFAOYSA-N 1 0 412.534 2.844 20 0 HFADRO CCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC(C)([NH3+])C1 ZINC001157650905 1077683277 /nfs/dbraw/zinc/68/32/77/1077683277.db2.gz HBJXDLFFYAMGDU-NRFANRHFSA-N 1 0 409.530 2.653 20 0 HFADRO CS(=O)(=O)N1CCN(c2cccc(NCc3ccccc3-c3cccnc3)[nH+]2)CC1 ZINC001170112041 1077701490 /nfs/dbraw/zinc/70/14/90/1077701490.db2.gz SGWXRNYCWUQQAC-UHFFFAOYSA-N 1 0 423.542 2.837 20 0 HFADRO CCCOc1ccc(CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000789609765 1077707758 /nfs/dbraw/zinc/70/77/58/1077707758.db2.gz PZPSNHLJNDYUID-UHFFFAOYSA-N 1 0 424.545 2.791 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)c1 ZINC000792085191 1077709281 /nfs/dbraw/zinc/70/92/81/1077709281.db2.gz PHYRLFCYEZVQHI-OAQYLSRUSA-N 1 0 401.507 2.674 20 0 HFADRO O=C(NCC[S@@](=O)Cc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792095586 1077713403 /nfs/dbraw/zinc/71/34/03/1077713403.db2.gz AWSBHGADLRIVOZ-UETOGOEVSA-N 1 0 411.571 2.709 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)C2)c1 ZINC000792096908 1077713751 /nfs/dbraw/zinc/71/37/51/1077713751.db2.gz LATQJVHWUPQBHE-RBBKRZOGSA-N 1 0 411.502 2.924 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC000792137443 1077719029 /nfs/dbraw/zinc/71/90/29/1077719029.db2.gz RHRRSDDJVZWTOW-WMZHIEFXSA-N 1 0 407.514 2.869 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)C2)c1 ZINC000792158366 1077725834 /nfs/dbraw/zinc/72/58/34/1077725834.db2.gz CHEQMIFHTQLACG-HSZRJFAPSA-N 1 0 423.513 2.979 20 0 HFADRO CC(C)CN(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000792171036 1077733798 /nfs/dbraw/zinc/73/37/98/1077733798.db2.gz ODZYCTPOMGPDDW-UHFFFAOYSA-N 1 0 410.603 2.508 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789667551 1077734631 /nfs/dbraw/zinc/73/46/31/1077734631.db2.gz JCIMOYFZVMGCBJ-OAQYLSRUSA-N 1 0 408.546 2.540 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1 ZINC000792188339 1077738929 /nfs/dbraw/zinc/73/89/29/1077738929.db2.gz GNTIHZWYFIHZLW-MRXNPFEDSA-N 1 0 418.538 2.588 20 0 HFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000789729954 1077741868 /nfs/dbraw/zinc/74/18/68/1077741868.db2.gz YELMSACLYAUPQN-HNNXBMFYSA-N 1 0 417.510 2.523 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC000789733739 1077742539 /nfs/dbraw/zinc/74/25/39/1077742539.db2.gz XCMDEDSDWBLRDR-SFHVURJKSA-N 1 0 400.523 2.634 20 0 HFADRO O=C(COC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccncc1Cl ZINC000792204724 1077744812 /nfs/dbraw/zinc/74/48/12/1077744812.db2.gz UNWYMKDCYPXZFS-UHFFFAOYSA-N 1 0 402.878 2.979 20 0 HFADRO CCS(=O)(=O)c1ccc(CNC(=O)N(CCc2ccccc2)CC[NH+](C)C)s1 ZINC000792219019 1077746876 /nfs/dbraw/zinc/74/68/76/1077746876.db2.gz YRQNAXRQJGAZNP-UHFFFAOYSA-N 1 0 423.604 2.858 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792231889 1077754772 /nfs/dbraw/zinc/75/47/72/1077754772.db2.gz QBRUNFODEUEIAD-KRWDZBQOSA-N 1 0 406.596 2.722 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NC(=O)CC3([NH+]4CCOCC4)CCCC3)C2=O)c(C)c1 ZINC000789717635 1077756060 /nfs/dbraw/zinc/75/60/60/1077756060.db2.gz AGRJZHARGXBTTB-HXUWFJFHSA-N 1 0 413.562 2.868 20 0 HFADRO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792234368 1077757224 /nfs/dbraw/zinc/75/72/24/1077757224.db2.gz UFJMCEUJINGEBT-GOSISDBHSA-N 1 0 405.502 2.999 20 0 HFADRO CN1CCN(c2ncc(C[NH+]3CCC(COc4ccc(Cl)nc4)CC3)cn2)CC1 ZINC000789758315 1077763435 /nfs/dbraw/zinc/76/34/35/1077763435.db2.gz QRUCJZNBJKSRIW-UHFFFAOYSA-N 1 0 416.957 2.568 20 0 HFADRO Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789758464 1077763502 /nfs/dbraw/zinc/76/35/02/1077763502.db2.gz SKCGNTOKERWRCE-UHFFFAOYSA-N 1 0 419.957 2.905 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CCC(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000792216728 1077770239 /nfs/dbraw/zinc/77/02/39/1077770239.db2.gz XIZWGQLLYSVRFP-UHFFFAOYSA-N 1 0 422.614 2.843 20 0 HFADRO CC(C)n1ncc2cc(CN3CCC[C@@H](N4CCCS4(=O)=O)C3)c(Cl)nc21 ZINC000789771340 1077771345 /nfs/dbraw/zinc/77/13/45/1077771345.db2.gz RUCVJMIZOLPIDX-MRXNPFEDSA-N 1 0 411.959 2.666 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000792250642 1077771368 /nfs/dbraw/zinc/77/13/68/1077771368.db2.gz KQCPCPJWDSLQLC-HKUYNNGSSA-N 1 0 419.570 2.991 20 0 HFADRO COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C)c1OC ZINC000789735805 1077771448 /nfs/dbraw/zinc/77/14/48/1077771448.db2.gz ROFAKNDHGFIAMQ-UHFFFAOYSA-N 1 0 412.895 2.998 20 0 HFADRO COc1ccc([C@H](O)CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792280649 1077773508 /nfs/dbraw/zinc/77/35/08/1077773508.db2.gz WPJABCFBCUHUSW-LEOMRAHMSA-N 1 0 415.456 2.833 20 0 HFADRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001170119659 1077774726 /nfs/dbraw/zinc/77/47/26/1077774726.db2.gz WPYMDZTUCPQBSF-QZTJIDSGSA-N 1 0 405.612 2.821 20 0 HFADRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792255867 1077781398 /nfs/dbraw/zinc/78/13/98/1077781398.db2.gz HHLIUJBNIKHCCE-CQSZACIVSA-N 1 0 414.497 2.951 20 0 HFADRO CS(=O)(=O)c1cccc(C(=O)COC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000792308952 1077800277 /nfs/dbraw/zinc/80/02/77/1077800277.db2.gz STMMDSKFZDSTEC-UHFFFAOYSA-N 1 0 401.484 2.726 20 0 HFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000792363002 1077815605 /nfs/dbraw/zinc/81/56/05/1077815605.db2.gz YZAQTTXAWGCVDS-UHFFFAOYSA-N 1 0 414.481 2.599 20 0 HFADRO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332937 1077822190 /nfs/dbraw/zinc/82/21/90/1077822190.db2.gz IQCQGHPTJOWSTH-ZWKOTPCHSA-N 1 0 409.571 2.783 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@H](O)COC1CCOCC1)CC2 ZINC000792333880 1077822459 /nfs/dbraw/zinc/82/24/59/1077822459.db2.gz QMWJDVSUJHORBJ-SFHVURJKSA-N 1 0 412.571 2.656 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)c1 ZINC000792397305 1077834312 /nfs/dbraw/zinc/83/43/12/1077834312.db2.gz JDGLBAFXJRYZDC-UHFFFAOYSA-N 1 0 412.534 2.599 20 0 HFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccn(CC(F)F)n1 ZINC000789935858 1077858836 /nfs/dbraw/zinc/85/88/36/1077858836.db2.gz LSNYZBFWNUXXCC-UHFFFAOYSA-N 1 0 411.884 2.744 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccc2nnc(-c3ccccn3)n2c1 ZINC001170167395 1077864536 /nfs/dbraw/zinc/86/45/36/1077864536.db2.gz FOHLTUUGYALNQH-UHFFFAOYSA-N 1 0 414.473 2.659 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000792495679 1077867286 /nfs/dbraw/zinc/86/72/86/1077867286.db2.gz NSIJWJROKCEROY-OLHLWXQYSA-N 1 0 419.529 2.957 20 0 HFADRO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792497381 1077868132 /nfs/dbraw/zinc/86/81/32/1077868132.db2.gz JGAWETVTTLKHAL-ZWKOTPCHSA-N 1 0 405.564 2.935 20 0 HFADRO C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)C1 ZINC001170124731 1077881043 /nfs/dbraw/zinc/88/10/43/1077881043.db2.gz HLMVRKHWQDOATR-NQCBNZPSSA-N 1 0 421.541 2.520 20 0 HFADRO CCN1CC[NH+](CCCCNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000789980570 1077881848 /nfs/dbraw/zinc/88/18/48/1077881848.db2.gz QJDMKFWOTAZYLW-UHFFFAOYSA-N 1 0 406.880 2.830 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cc(CN2CCOCC2)ccc1F ZINC001170167583 1077885591 /nfs/dbraw/zinc/88/55/91/1077885591.db2.gz OUMHZUBPLFNJHO-UHFFFAOYSA-N 1 0 413.497 2.526 20 0 HFADRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1nc(Br)cs1 ZINC000792534867 1077890594 /nfs/dbraw/zinc/89/05/94/1077890594.db2.gz FHUPIRWADMMAPQ-UHFFFAOYSA-N 1 0 423.336 2.984 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000792546448 1077898900 /nfs/dbraw/zinc/89/89/00/1077898900.db2.gz NQOYHYUVUNLWEY-UHFFFAOYSA-N 1 0 407.348 2.749 20 0 HFADRO COc1ccc([C@H]2CCCN2C(=O)COC(=O)c2ccc3c[nH+]cn3c2)cc1OC ZINC000792545447 1077899005 /nfs/dbraw/zinc/89/90/05/1077899005.db2.gz CPVRDJRMQWYVKB-GOSISDBHSA-N 1 0 409.442 2.872 20 0 HFADRO COc1cc(-c2noc(COC(=O)c3ccc4c[nH+]cn4c3)n2)cc(OC)c1OC ZINC000792550337 1077899303 /nfs/dbraw/zinc/89/93/03/1077899303.db2.gz PDYDWBLUOIQRQS-UHFFFAOYSA-N 1 0 410.386 2.767 20 0 HFADRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792551042 1077900042 /nfs/dbraw/zinc/90/00/42/1077900042.db2.gz CUZIRGWZZOJUAG-UHFFFAOYSA-N 1 0 417.469 2.669 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000792549804 1077900072 /nfs/dbraw/zinc/90/00/72/1077900072.db2.gz NYNSKQKUOQSERM-SFHVURJKSA-N 1 0 407.426 2.626 20 0 HFADRO O=C(CNC(=O)OCc1ccccc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792553830 1077901257 /nfs/dbraw/zinc/90/12/57/1077901257.db2.gz AIAOMNWCBJVLJC-UHFFFAOYSA-N 1 0 413.440 2.834 20 0 HFADRO C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000792566468 1077906085 /nfs/dbraw/zinc/90/60/85/1077906085.db2.gz VXSWMMRIUBXOOQ-ZHHULCEESA-N 1 0 410.474 2.674 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)CCO1 ZINC001170206761 1077906099 /nfs/dbraw/zinc/90/60/99/1077906099.db2.gz ARKJACYDCABJIE-KNKQGSTJSA-N 1 0 400.523 2.609 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)CCO1 ZINC001170215412 1077909008 /nfs/dbraw/zinc/90/90/08/1077909008.db2.gz BQUVLLNRAQVPJR-VAMGGRTRSA-N 1 0 403.567 2.926 20 0 HFADRO CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001170218800 1077909990 /nfs/dbraw/zinc/90/99/90/1077909990.db2.gz VKLLCOSDTGJXME-PZJWPPBQSA-N 1 0 403.567 2.839 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000790008929 1077910972 /nfs/dbraw/zinc/91/09/72/1077910972.db2.gz ASQUKJLNILBJPT-QGZVFWFLSA-N 1 0 411.568 2.816 20 0 HFADRO CC[C@H]1C[C@@H](n2cncc2C[C@H]([NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194072 1077911212 /nfs/dbraw/zinc/91/12/12/1077911212.db2.gz URAXYOMGRQTJGI-QRFRQXIXSA-N 1 0 424.501 2.937 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000790017324 1077914796 /nfs/dbraw/zinc/91/47/96/1077914796.db2.gz AWVLPDYIDOYSPN-FQEVSTJZSA-N 1 0 402.516 2.645 20 0 HFADRO COc1ccc(CCS(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000790020777 1077915815 /nfs/dbraw/zinc/91/58/15/1077915815.db2.gz MCBARVPEZOPJHQ-UHFFFAOYSA-N 1 0 412.621 2.909 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)o1 ZINC000746870830 1077916574 /nfs/dbraw/zinc/91/65/74/1077916574.db2.gz FTMJDQDFVUJVDL-UHFFFAOYSA-N 1 0 404.898 2.963 20 0 HFADRO CC[C@H]1C[C@@H]([N@@H+]2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224202 1077916788 /nfs/dbraw/zinc/91/67/88/1077916788.db2.gz UITSCTRZWRPBLP-MPJJRAAHSA-N 1 0 402.535 2.702 20 0 HFADRO CS(=O)(=O)Nc1ccc(/C=C\C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000746872705 1077919587 /nfs/dbraw/zinc/91/95/87/1077919587.db2.gz XNEOEHSVRLJMFI-XFXZXTDPSA-N 1 0 405.564 2.985 20 0 HFADRO C[NH+]1CCN(c2cccc(C(=O)N3CCCC[C@H]3C(=O)OCc3ccccc3)n2)CC1 ZINC000792601897 1077930474 /nfs/dbraw/zinc/93/04/74/1077930474.db2.gz OPVUEWNZYNSHDO-NRFANRHFSA-N 1 0 422.529 2.572 20 0 HFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC001170280420 1077936248 /nfs/dbraw/zinc/93/62/48/1077936248.db2.gz FFMGTRRUJWZZQO-SJORKVTESA-N 1 0 416.440 2.955 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC001170284451 1077937543 /nfs/dbraw/zinc/93/75/43/1077937543.db2.gz NMOYEHHKDXFWBI-QUJKESNLSA-N 1 0 414.937 2.828 20 0 HFADRO C[C@H](Cc1ccccc1Cl)n1nncc1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001170286092 1077938115 /nfs/dbraw/zinc/93/81/15/1077938115.db2.gz WWRALBJQSPRYAR-DYESRHJHSA-N 1 0 403.958 2.937 20 0 HFADRO COc1ccc([C@H](CNC(=O)N[C@@H](C)c2nnnn2C2CC2)[NH+]2CCCCC2)cc1 ZINC000790109557 1077939230 /nfs/dbraw/zinc/93/92/30/1077939230.db2.gz CRRCAZWPDFIYDC-KXBFYZLASA-N 1 0 413.526 2.604 20 0 HFADRO Cc1nnc(COCC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)s1 ZINC001170319465 1077941950 /nfs/dbraw/zinc/94/19/50/1077941950.db2.gz BOVUQPSBBKNILK-AWEZNQCLSA-N 1 0 402.442 2.801 20 0 HFADRO COC(=O)[C@H]1Cc2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cnc2NC1=O ZINC001170333660 1077945878 /nfs/dbraw/zinc/94/58/78/1077945878.db2.gz QVBZKNWZMVMEEY-WJMWBRGCSA-N 1 0 420.513 2.973 20 0 HFADRO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC001170334265 1077946322 /nfs/dbraw/zinc/94/63/22/1077946322.db2.gz YZCJPTRPUGGOQF-UXHICEINSA-N 1 0 423.557 2.932 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)cc1 ZINC000790129470 1077951667 /nfs/dbraw/zinc/95/16/67/1077951667.db2.gz KOSOGASEUZRYAS-UHFFFAOYSA-N 1 0 416.547 2.511 20 0 HFADRO CCOC(=O)c1ccc2[nH]c(-c3ccnc(-n4[nH]c(=O)c(CC[NH3+])c4C)n3)cc2c1 ZINC001170340986 1077953158 /nfs/dbraw/zinc/95/31/58/1077953158.db2.gz VURKRKSSQYXJQJ-UHFFFAOYSA-N 1 0 406.446 2.503 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001170349962 1077955608 /nfs/dbraw/zinc/95/56/08/1077955608.db2.gz VSTOJBHBYKDSBJ-MSOLQXFVSA-N 1 0 407.555 2.536 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000790122535 1077958225 /nfs/dbraw/zinc/95/82/25/1077958225.db2.gz QZPXGGXSZMEKJI-FQEVSTJZSA-N 1 0 415.607 2.721 20 0 HFADRO COc1ccc([C@@H](CNC(=O)[C@H]2CC(c3cccnc3)=NO2)[NH+]2CCCCC2)cc1 ZINC000790125511 1077959305 /nfs/dbraw/zinc/95/93/05/1077959305.db2.gz UXGUSQASHCYQLA-FGZHOGPDSA-N 1 0 408.502 2.927 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2cc[nH+]c(CC)c2)C1 ZINC001170376503 1077962440 /nfs/dbraw/zinc/96/24/40/1077962440.db2.gz FCNSMKFXDJPHSR-BHDDXSALSA-N 1 0 417.550 2.818 20 0 HFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1C(F)(F)F ZINC000790162801 1077963268 /nfs/dbraw/zinc/96/32/68/1077963268.db2.gz MBZVGAJZMBCCQZ-GFCCVEGCSA-N 1 0 408.442 2.645 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)C[NH+]1CCCC1 ZINC000790187842 1077966564 /nfs/dbraw/zinc/96/65/64/1077966564.db2.gz IGBWGDAICCGHPA-NVXWUHKLSA-N 1 0 411.468 2.869 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)C[NH+]1CCCC1 ZINC000790187838 1077966575 /nfs/dbraw/zinc/96/65/75/1077966575.db2.gz IGBWGDAICCGHPA-DOTOQJQBSA-N 1 0 411.468 2.869 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001170411358 1077966589 /nfs/dbraw/zinc/96/65/89/1077966589.db2.gz JQZFVZUGIRUYAI-PFRQMTDMSA-N 1 0 404.507 2.960 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000790189490 1077966874 /nfs/dbraw/zinc/96/68/74/1077966874.db2.gz JOYRKKUXXFABQV-FDFHNCONSA-N 1 0 411.550 2.775 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000790204697 1077969094 /nfs/dbraw/zinc/96/90/94/1077969094.db2.gz VMZBDWUCTLSHNV-INIZCTEOSA-N 1 0 412.490 2.812 20 0 HFADRO C[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CCCCC3)(N2CCOCC2)CC1 ZINC001626113024 1077972519 /nfs/dbraw/zinc/97/25/19/1077972519.db2.gz MOJIMVLHFUIMMT-UHFFFAOYSA-N 1 0 400.567 2.874 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H](O)[C@H](O)c3nc4ccccc4s3)cccc21 ZINC000790244169 1077975567 /nfs/dbraw/zinc/97/55/67/1077975567.db2.gz VKIOKOPXNGJPIL-NJAFHUGGSA-N 1 0 413.499 2.715 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)Cc3ccc(Cl)cn3)CC2)cc1 ZINC000792705598 1077979216 /nfs/dbraw/zinc/97/92/16/1077979216.db2.gz SZPDDMBJTURYLD-UHFFFAOYSA-N 1 0 415.921 2.864 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC(c4cccnc4)=NO3)cc2)C[C@@H](C)O1 ZINC000790288162 1077986194 /nfs/dbraw/zinc/98/61/94/1077986194.db2.gz FKZSGCOVNAPHHI-YVHKJVDXSA-N 1 0 408.502 2.500 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001170419611 1077989428 /nfs/dbraw/zinc/98/94/28/1077989428.db2.gz HAQXOFDWUBAGFG-HZPDHXFCSA-N 1 0 408.495 2.782 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001170420853 1077998332 /nfs/dbraw/zinc/99/83/32/1077998332.db2.gz NRSWFOOXDXWPAP-KZNAEPCWSA-N 1 0 406.523 2.944 20 0 HFADRO CO[C@@H]1CN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C[C@@H]1OC ZINC000792774994 1077998392 /nfs/dbraw/zinc/99/83/92/1077998392.db2.gz NSPGRJCDTPZARB-BGYRXZFFSA-N 1 0 418.538 2.769 20 0 HFADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1nnnn1C1CC1 ZINC000790358045 1078003306 /nfs/dbraw/zinc/00/33/06/1078003306.db2.gz GQKLNMOZCLSYEE-WFASDCNBSA-N 1 0 423.443 2.662 20 0 HFADRO O=C1O[C@]2(CN1CN1CCN(c3cccc(C(F)(F)F)c3)CC1)C[NH+]1CCC2CC1 ZINC000790360395 1078004273 /nfs/dbraw/zinc/00/42/73/1078004273.db2.gz GRBKNCSAVUWUBA-FQEVSTJZSA-N 1 0 424.467 2.702 20 0 HFADRO C[C@H](c1ccc(F)cc1F)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790361251 1078004392 /nfs/dbraw/zinc/00/43/92/1078004392.db2.gz CWZZGWIALXMLPB-OPAMFIHVSA-N 1 0 420.504 2.518 20 0 HFADRO C[C@]1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792855151 1078009227 /nfs/dbraw/zinc/00/92/27/1078009227.db2.gz OMEFWCALUKIEED-QHCPKHFHSA-N 1 0 408.502 2.779 20 0 HFADRO Cc1cc(Br)c2c(c1)CN(CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)CC2 ZINC000790383446 1078010403 /nfs/dbraw/zinc/01/04/03/1078010403.db2.gz JACDFJWJFIVOGM-FQEVSTJZSA-N 1 0 420.351 2.990 20 0 HFADRO C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790386011 1078011387 /nfs/dbraw/zinc/01/13/87/1078011387.db2.gz PAGPGNWFAHNPRI-MFMILTCTSA-N 1 0 405.926 2.976 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000792866443 1078011454 /nfs/dbraw/zinc/01/14/54/1078011454.db2.gz GEPKSBKQFOGZHT-AEFFLSMTSA-N 1 0 400.585 2.923 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCn3c(cc4ccc(Cl)cc43)C1)C[NH+]1CCC2CC1 ZINC000790386293 1078011902 /nfs/dbraw/zinc/01/19/02/1078011902.db2.gz LSJOCKRWYLHFFC-OAQYLSRUSA-N 1 0 400.910 2.984 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000790389150 1078012275 /nfs/dbraw/zinc/01/22/75/1078012275.db2.gz JLUWATLBEPLSLD-QFIPXVFZSA-N 1 0 424.545 2.882 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCn3c(cc4c3cccc4Cl)C1)C[NH+]1CCC2CC1 ZINC000790388194 1078012651 /nfs/dbraw/zinc/01/26/51/1078012651.db2.gz NXCOIVJPHXOJOW-OAQYLSRUSA-N 1 0 400.910 2.984 20 0 HFADRO C[C@@H]1CN(c2cccc3cnccc32)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790390354 1078012799 /nfs/dbraw/zinc/01/27/99/1078012799.db2.gz STNACYNDJSBWLV-KOSHJBKYSA-N 1 0 421.545 2.619 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCn3c(cc4cc(Cl)ccc43)C1)C[NH+]1CCC2CC1 ZINC000790390399 1078013004 /nfs/dbraw/zinc/01/30/04/1078013004.db2.gz SXSIEIJRGNIMNC-OAQYLSRUSA-N 1 0 400.910 2.984 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000792848043 1078013976 /nfs/dbraw/zinc/01/39/76/1078013976.db2.gz LBCJDKQLACNCIT-UIFIKXQLSA-N 1 0 424.545 2.959 20 0 HFADRO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN(C(=O)OCc2ccccc2)C1 ZINC000792873565 1078015043 /nfs/dbraw/zinc/01/50/43/1078015043.db2.gz SZSCMLAVEZVXSD-DXIQSLLYSA-N 1 0 400.523 2.714 20 0 HFADRO CC1(C)CN=C(N2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)S1 ZINC000792872809 1078015380 /nfs/dbraw/zinc/01/53/80/1078015380.db2.gz PQZWKLWTKMKFBU-FQEVSTJZSA-N 1 0 402.608 2.777 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCO[C@@H](c3ccc(OC(F)F)cc3)C1)C[NH+]1CCC2CC1 ZINC000790371343 1078016785 /nfs/dbraw/zinc/01/67/85/1078016785.db2.gz LHKASFRDIPWYCR-WIYYLYMNSA-N 1 0 423.460 2.535 20 0 HFADRO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000790373663 1078017677 /nfs/dbraw/zinc/01/76/77/1078017677.db2.gz GKUYTXWTGCYBQA-GOSISDBHSA-N 1 0 424.586 2.530 20 0 HFADRO CC(C)NC(=O)c1ccccc1NC(=O)CN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000792939636 1078021795 /nfs/dbraw/zinc/02/17/95/1078021795.db2.gz HPNMCZRXDIQKSJ-FQEVSTJZSA-N 1 0 408.546 2.622 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000790420173 1078022389 /nfs/dbraw/zinc/02/23/89/1078022389.db2.gz GSQDMQHAALHSKF-NQSCKRDGSA-N 1 0 411.550 2.773 20 0 HFADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[C@H](C)O1 ZINC000792914674 1078024379 /nfs/dbraw/zinc/02/43/79/1078024379.db2.gz SDQNTEXRLBHTDZ-SELNLUPBSA-N 1 0 417.550 2.651 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914796 1078024956 /nfs/dbraw/zinc/02/49/56/1078024956.db2.gz SWKWBBYDOHSWOS-IOASZLSFSA-N 1 0 421.847 2.555 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000790462012 1078027415 /nfs/dbraw/zinc/02/74/15/1078027415.db2.gz BPADXFRWKDEDSS-XMMPIXPASA-N 1 0 423.557 2.796 20 0 HFADRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CC[C@@H](N3CCCC3=O)C2)c1=S ZINC000790461384 1078027945 /nfs/dbraw/zinc/02/79/45/1078027945.db2.gz SIRGGRMUMSVGSO-SJORKVTESA-N 1 0 408.616 2.881 20 0 HFADRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CC[C@@H](N3CCCC3=O)C2)c1=S ZINC000790461382 1078028011 /nfs/dbraw/zinc/02/80/11/1078028011.db2.gz SIRGGRMUMSVGSO-IAGOWNOFSA-N 1 0 408.616 2.881 20 0 HFADRO NC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCC3(CCOCC3)CC1)CCCC2 ZINC000792932649 1078028157 /nfs/dbraw/zinc/02/81/57/1078028157.db2.gz AVUKLWJWTKZVAF-UHFFFAOYSA-N 1 0 405.564 2.947 20 0 HFADRO O=C(C[NH2+][C@@H](c1cncc(Br)c1)C1CC1)NC1CCC2(CC1)OCCO2 ZINC000792935867 1078029011 /nfs/dbraw/zinc/02/90/11/1078029011.db2.gz RAFANVJZHUZGFK-GOSISDBHSA-N 1 0 424.339 2.687 20 0 HFADRO COc1ccc(CCS(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000790437776 1078030822 /nfs/dbraw/zinc/03/08/22/1078030822.db2.gz KEHGIKOSQXPZFF-UHFFFAOYSA-N 1 0 418.559 2.830 20 0 HFADRO CCOC(=O)CC[N@H+](Cn1ncc2c1ccc(Br)c2C(=O)OC)C1CC1 ZINC000790440810 1078032106 /nfs/dbraw/zinc/03/21/06/1078032106.db2.gz ZZLUIVPRNTWDNZ-UHFFFAOYSA-N 1 0 424.295 2.961 20 0 HFADRO CCOC(=O)C1CCN(Cn2ncc3c2ccc(Br)c3C(=O)OC)CC1 ZINC000790440506 1078032399 /nfs/dbraw/zinc/03/23/99/1078032399.db2.gz WTXPKWGLBJCENF-UHFFFAOYSA-N 1 0 424.295 2.818 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000747093850 1078032967 /nfs/dbraw/zinc/03/29/67/1078032967.db2.gz BFOPAHPARJZINV-FXAWDEMLSA-N 1 0 412.490 2.869 20 0 HFADRO COC(=O)C[C@H]1CCC[N@@H+]1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790443539 1078033319 /nfs/dbraw/zinc/03/33/19/1078033319.db2.gz XCNAASDNVMGXBF-LLVKDONJSA-N 1 0 410.268 2.570 20 0 HFADRO COC(=O)c1c2cnn(CN3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2ccc1Br ZINC000790443657 1078033431 /nfs/dbraw/zinc/03/34/31/1078033431.db2.gz ZYSKRBMLKFATML-BBRMVZONSA-N 1 0 421.339 2.959 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)c2ccc1Br ZINC000790443409 1078033753 /nfs/dbraw/zinc/03/37/53/1078033753.db2.gz VKEGVVQOZMYBKT-OLZOCXBDSA-N 1 0 408.296 2.901 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)nc1Br ZINC000792962436 1078036666 /nfs/dbraw/zinc/03/66/66/1078036666.db2.gz GJSKPJVXZVEWOJ-UHFFFAOYSA-N 1 0 409.328 2.568 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000792960796 1078036754 /nfs/dbraw/zinc/03/67/54/1078036754.db2.gz UPXZQVPQOBSLPQ-QGZVFWFLSA-N 1 0 413.509 2.795 20 0 HFADRO Fc1ccc(I)c(F)c1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000792967717 1078037824 /nfs/dbraw/zinc/03/78/24/1078037824.db2.gz AOQCFDVOGURYKU-WDEREUQCSA-N 1 0 408.230 2.522 20 0 HFADRO Fc1ccc(I)c(F)c1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000792967714 1078037852 /nfs/dbraw/zinc/03/78/52/1078037852.db2.gz AOQCFDVOGURYKU-GHMZBOCLSA-N 1 0 408.230 2.522 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)nc1Br ZINC000792968200 1078038496 /nfs/dbraw/zinc/03/84/96/1078038496.db2.gz HCDLXJDUEACLKE-GFCCVEGCSA-N 1 0 411.344 2.718 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(Br)n2)c1 ZINC000792981210 1078039747 /nfs/dbraw/zinc/03/97/47/1078039747.db2.gz DYUOEBOEGVJAFX-UHFFFAOYSA-N 1 0 405.296 2.551 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792984994 1078040937 /nfs/dbraw/zinc/04/09/37/1078040937.db2.gz MCPGOEWMJMCYQC-OALUTQOASA-N 1 0 400.523 2.571 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1 ZINC000792986687 1078040968 /nfs/dbraw/zinc/04/09/68/1078040968.db2.gz BSDNIIQQOUCVJL-UXHICEINSA-N 1 0 402.539 2.676 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988081 1078041897 /nfs/dbraw/zinc/04/18/97/1078041897.db2.gz WPEOYJXNSSWJGH-IERDGZPVSA-N 1 0 413.559 2.738 20 0 HFADRO COc1cccc([C@@H](CNC(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)[NH+](C)C)c1 ZINC000806308771 1079561821 /nfs/dbraw/zinc/56/18/21/1079561821.db2.gz YASLDBJDUBJJIN-UYAOXDASSA-N 1 0 420.554 2.997 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000806287497 1079572734 /nfs/dbraw/zinc/57/27/34/1079572734.db2.gz GAYLDXBUDZHQSP-VXKWHMMOSA-N 1 0 409.530 2.601 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(C)C ZINC000806320726 1079592517 /nfs/dbraw/zinc/59/25/17/1079592517.db2.gz KLWIORNRPIJIMH-JKWVGCSGSA-N 1 0 420.642 2.867 20 0 HFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000806324294 1079594728 /nfs/dbraw/zinc/59/47/28/1079594728.db2.gz LZGAZENJIGVCJX-FQEVSTJZSA-N 1 0 420.513 2.778 20 0 HFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747325464 1079597447 /nfs/dbraw/zinc/59/74/47/1079597447.db2.gz KMMDDIYCEOKLBP-SJLPKXTDSA-N 1 0 421.950 2.897 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@H]1COc2ccccc2C1 ZINC000806334457 1079606460 /nfs/dbraw/zinc/60/64/60/1079606460.db2.gz PBNMAFJTOCFNGU-QFIPXVFZSA-N 1 0 422.573 2.697 20 0 HFADRO CSc1nc2nc(C)c(CC(=O)N[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC001130610503 1079630096 /nfs/dbraw/zinc/63/00/96/1079630096.db2.gz RMLMAJBVPSFRRL-QFIPXVFZSA-N 1 0 424.574 2.786 20 0 HFADRO C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613977 1079641588 /nfs/dbraw/zinc/64/15/88/1079641588.db2.gz NZMUACPKKBASQB-VGOFRKELSA-N 1 0 400.544 2.974 20 0 HFADRO CNC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)nn1 ZINC001130601234 1079643218 /nfs/dbraw/zinc/64/32/18/1079643218.db2.gz OEDUYCOMVBKQFA-IAGOWNOFSA-N 1 0 421.526 2.752 20 0 HFADRO C[NH+]1CCN(C(C)(C)CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000806361683 1079649017 /nfs/dbraw/zinc/64/90/17/1079649017.db2.gz NOJYQKKVGFCYAM-HSZRJFAPSA-N 1 0 424.589 2.958 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)CCC2 ZINC000806426188 1079671190 /nfs/dbraw/zinc/67/11/90/1079671190.db2.gz YSKLBZICOMLMFC-MJGOQNOKSA-N 1 0 412.559 2.726 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000806394209 1079683346 /nfs/dbraw/zinc/68/33/46/1079683346.db2.gz FNFPRFQVDHQMQJ-HXUWFJFHSA-N 1 0 402.539 2.745 20 0 HFADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2[NH2+]CCCC2CCCC2)c1 ZINC001130628278 1079685956 /nfs/dbraw/zinc/68/59/56/1079685956.db2.gz IUSVGBFGCDHOPW-ITVBJSIGSA-N 1 0 412.578 2.698 20 0 HFADRO C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH2+]C2(c3ccccc3)CCC2)C1=O ZINC000747329749 1079705153 /nfs/dbraw/zinc/70/51/53/1079705153.db2.gz UZEVVLVVZKAOSY-HSZRJFAPSA-N 1 0 420.513 2.630 20 0 HFADRO COc1cc(NC(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1F ZINC000806444152 1079714218 /nfs/dbraw/zinc/71/42/18/1079714218.db2.gz MFXJZHYBDHVFSI-INIZCTEOSA-N 1 0 422.501 2.993 20 0 HFADRO COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@H]1c1cn(C)cn1 ZINC001130632850 1079717549 /nfs/dbraw/zinc/71/75/49/1079717549.db2.gz TZOXVDRMMINVLK-SXFAUFNYSA-N 1 0 402.583 2.947 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C(C)(C)C1 ZINC001130636063 1079726804 /nfs/dbraw/zinc/72/68/04/1079726804.db2.gz WBMMTDSKJWHPRF-FQEVSTJZSA-N 1 0 415.578 2.725 20 0 HFADRO O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747333172 1079742604 /nfs/dbraw/zinc/74/26/04/1079742604.db2.gz VURXKPGJRUJERU-UHFFFAOYSA-N 1 0 408.424 2.828 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000806497386 1079747456 /nfs/dbraw/zinc/74/74/56/1079747456.db2.gz HIOZWVJZNQFCJZ-UXHICEINSA-N 1 0 404.555 2.812 20 0 HFADRO Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N(C)CC3C[NH+](C)C3)cc2)c1 ZINC001130651726 1079751490 /nfs/dbraw/zinc/75/14/90/1079751490.db2.gz URQNSSWJGVNNJI-UHFFFAOYSA-N 1 0 402.516 2.705 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000806503339 1079753347 /nfs/dbraw/zinc/75/33/47/1079753347.db2.gz OFRSKOXIXFVWLR-YVECIDJPSA-N 1 0 417.394 2.565 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccnc1-2 ZINC000806488258 1079773552 /nfs/dbraw/zinc/77/35/52/1079773552.db2.gz KLGOLMDYGBSQOF-QHCPKHFHSA-N 1 0 404.518 2.862 20 0 HFADRO CN1CCN(C(=O)NCc2nc(Cc3ccccc3)no2)C[C@H]1Cc1ccccc1 ZINC000806547478 1079784954 /nfs/dbraw/zinc/78/49/54/1079784954.db2.gz IMVALDXXIBDNCX-HXUWFJFHSA-N 1 0 405.502 2.729 20 0 HFADRO CN(C(=O)C(=O)NCCc1ccc(Cl)nc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806593124 1079835578 /nfs/dbraw/zinc/83/55/78/1079835578.db2.gz HXNQTVDHONRGJJ-IBGZPJMESA-N 1 0 414.937 2.517 20 0 HFADRO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747341681 1079876079 /nfs/dbraw/zinc/87/60/79/1079876079.db2.gz HDFBJJKFOCUIGA-CVEARBPZSA-N 1 0 409.490 2.865 20 0 HFADRO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747340543 1079901228 /nfs/dbraw/zinc/90/12/28/1079901228.db2.gz BCOMGZQLVFYUKV-IEBWSBKVSA-N 1 0 419.319 2.961 20 0 HFADRO COC(=O)c1cc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ccc1C ZINC001130733346 1079971976 /nfs/dbraw/zinc/97/19/76/1079971976.db2.gz OTVJRJZMOSQVPI-VXKWHMMOSA-N 1 0 408.498 2.897 20 0 HFADRO COC(=O)c1cc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ccc1C ZINC001130733345 1079972030 /nfs/dbraw/zinc/97/20/30/1079972030.db2.gz OTVJRJZMOSQVPI-FGZHOGPDSA-N 1 0 408.498 2.897 20 0 HFADRO O=C(c1ccnc(OCC(F)F)c1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733728 1079973754 /nfs/dbraw/zinc/97/37/54/1079973754.db2.gz XOHFBCQTULDIKB-OALUTQOASA-N 1 0 417.456 2.841 20 0 HFADRO O=C(CC[C@@](F)(Cl)C(F)(F)Br)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071063 1079979370 /nfs/dbraw/zinc/97/93/70/1079979370.db2.gz SVHMBDOXOOWAAM-LBPRGKRZSA-N 1 0 407.658 2.640 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCC2CCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000806770186 1079990572 /nfs/dbraw/zinc/99/05/72/1079990572.db2.gz LOTVPTCZQHTDDH-NRFANRHFSA-N 1 0 407.505 2.957 20 0 HFADRO CN1CCN(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)[C@H](c2ccccc2)C1 ZINC000806744544 1079998565 /nfs/dbraw/zinc/99/85/65/1079998565.db2.gz DISZLHIFGANCAY-IBGZPJMESA-N 1 0 410.449 3.000 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@]34CCO[C@@H]3CCCC4)cc2)CC1 ZINC001130742169 1080005515 /nfs/dbraw/zinc/00/55/15/1080005515.db2.gz LPKREAAZTHHDML-FYYLOGMGSA-N 1 0 401.551 2.991 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806788160 1080009904 /nfs/dbraw/zinc/00/99/04/1080009904.db2.gz DHXJANQMNKIAMZ-FGZHOGPDSA-N 1 0 415.578 2.790 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000806791525 1080011740 /nfs/dbraw/zinc/01/17/40/1080011740.db2.gz GHYTYTDNAUTOAO-KRWDZBQOSA-N 1 0 412.600 2.658 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806811943 1080025648 /nfs/dbraw/zinc/02/56/48/1080025648.db2.gz YVRKBVNURJKWQJ-PMACEKPBSA-N 1 0 402.539 2.961 20 0 HFADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)C1 ZINC001170512131 1080026179 /nfs/dbraw/zinc/02/61/79/1080026179.db2.gz FVVGHQHVJJSKOR-SQNIBIBYSA-N 1 0 416.518 2.607 20 0 HFADRO COc1ccccc1O[C@@H]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000806815100 1080027872 /nfs/dbraw/zinc/02/78/72/1080027872.db2.gz ZWZWWQHWVGXANY-VQTJNVASSA-N 1 0 417.550 2.891 20 0 HFADRO CN(CCc1nc(-c2ccccc2)no1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806815054 1080028342 /nfs/dbraw/zinc/02/83/42/1080028342.db2.gz ZBQNXQMZWXVEPX-LJQANCHMSA-N 1 0 413.522 2.564 20 0 HFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3nc(Br)sc3C3CC3)C2)CC1 ZINC000806843145 1080029387 /nfs/dbraw/zinc/02/93/87/1080029387.db2.gz DQPRHYFWCXYELZ-LBPRGKRZSA-N 1 0 413.385 2.681 20 0 HFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844813 1080029771 /nfs/dbraw/zinc/02/97/71/1080029771.db2.gz VJCUWKCJYPNZJE-BTYIYWSLSA-N 1 0 404.942 2.508 20 0 HFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844816 1080030085 /nfs/dbraw/zinc/03/00/85/1080030085.db2.gz VJCUWKCJYPNZJE-YCRPNKLZSA-N 1 0 404.942 2.508 20 0 HFADRO C[C@@]1(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806861736 1080063782 /nfs/dbraw/zinc/06/37/82/1080063782.db2.gz ROHXACZCEPOCJR-IERDGZPVSA-N 1 0 405.926 2.983 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCc3c(C)cccc3C2)c1 ZINC000806885654 1080082334 /nfs/dbraw/zinc/08/23/34/1080082334.db2.gz FUEIHNMCKWNLQV-UHFFFAOYSA-N 1 0 422.529 2.799 20 0 HFADRO O=C(COCc1ccccn1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000806885162 1080082698 /nfs/dbraw/zinc/08/26/98/1080082698.db2.gz BBDPSLFBPPZNJK-UHFFFAOYSA-N 1 0 403.910 2.911 20 0 HFADRO C[C@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806888808 1080084724 /nfs/dbraw/zinc/08/47/24/1080084724.db2.gz LSFKXONSLKJLLB-ZDUSSCGKSA-N 1 0 407.902 2.549 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000806930971 1080098222 /nfs/dbraw/zinc/09/82/22/1080098222.db2.gz JAEOOFBCHKFCLI-GOSISDBHSA-N 1 0 407.477 2.882 20 0 HFADRO Cc1ccc(CC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c(Cl)n1 ZINC000806899596 1080106061 /nfs/dbraw/zinc/10/60/61/1080106061.db2.gz LDMMCTDMZAGZKB-UHFFFAOYSA-N 1 0 416.953 2.875 20 0 HFADRO CCOC(=O)C1=C(Nc2ncnc3c2ccn3COCC[Si](C)(C)C)CC[NH2+]C1 ZINC001170513638 1080115785 /nfs/dbraw/zinc/11/57/85/1080115785.db2.gz SQTCCDFLXXNUMM-UHFFFAOYSA-N 1 0 417.586 2.966 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000806934108 1080141883 /nfs/dbraw/zinc/14/18/83/1080141883.db2.gz KGDQAZKFMCUEAH-IBGZPJMESA-N 1 0 424.586 2.579 20 0 HFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000806945004 1080155253 /nfs/dbraw/zinc/15/52/53/1080155253.db2.gz GRKPVRGBZRGFLQ-IAGOWNOFSA-N 1 0 420.554 2.673 20 0 HFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806993693 1080172217 /nfs/dbraw/zinc/17/22/17/1080172217.db2.gz GHKLRJFJZQGLDD-UHFFFAOYSA-N 1 0 410.518 2.551 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807003156 1080181786 /nfs/dbraw/zinc/18/17/86/1080181786.db2.gz WKYLXJGAIZEPKU-NRFANRHFSA-N 1 0 424.545 2.761 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000807005609 1080182176 /nfs/dbraw/zinc/18/21/76/1080182176.db2.gz DXNCCQVFXSELOC-UHFFFAOYSA-N 1 0 405.502 2.746 20 0 HFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@]1(F)CCS(=O)(=O)C1 ZINC001130814790 1080216654 /nfs/dbraw/zinc/21/66/54/1080216654.db2.gz DVUQEGYDEQSSLS-SFHVURJKSA-N 1 0 404.935 2.537 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000807037791 1080227424 /nfs/dbraw/zinc/22/74/24/1080227424.db2.gz CBQXMWLFCKCCGR-YADHBBJMSA-N 1 0 424.545 2.788 20 0 HFADRO CCOC(=O)C1C[NH2+]CCC1=Nc1ccc(C(=O)OC2CCC2)c(OC2CCC2)n1 ZINC001170516737 1080240457 /nfs/dbraw/zinc/24/04/57/1080240457.db2.gz WXAPZOKLWZVZME-UHFFFAOYSA-N 1 0 415.490 2.945 20 0 HFADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1nc(Br)sc1C1CC1 ZINC000807066272 1080248941 /nfs/dbraw/zinc/24/89/41/1080248941.db2.gz IKZOZQOTRZMHKF-GFCCVEGCSA-N 1 0 400.342 2.766 20 0 HFADRO CN(C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000807071702 1080254222 /nfs/dbraw/zinc/25/42/22/1080254222.db2.gz ADCZAPWEBIYXBQ-VGSWGCGISA-N 1 0 418.969 2.850 20 0 HFADRO CN(C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000807071700 1080254277 /nfs/dbraw/zinc/25/42/77/1080254277.db2.gz ADCZAPWEBIYXBQ-JTSKRJEESA-N 1 0 418.969 2.850 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807087212 1080265363 /nfs/dbraw/zinc/26/53/63/1080265363.db2.gz LLILUKNZAVHHBJ-NRFANRHFSA-N 1 0 401.551 2.605 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)[NH+]1CCCCC1 ZINC000807090720 1080269279 /nfs/dbraw/zinc/26/92/79/1080269279.db2.gz XZNCZVLDVLEDIW-GHTZIAJQSA-N 1 0 401.551 2.651 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000807096346 1080275145 /nfs/dbraw/zinc/27/51/45/1080275145.db2.gz IAAQYUQBGOQDJT-FQEVSTJZSA-N 1 0 412.490 2.754 20 0 HFADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000807113516 1080291023 /nfs/dbraw/zinc/29/10/23/1080291023.db2.gz FDAVEZYFNBVHIL-LHDHZVESSA-N 1 0 403.592 2.660 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000807113536 1080291181 /nfs/dbraw/zinc/29/11/81/1080291181.db2.gz FTNRBXJQUAPLGN-SBHAEUEKSA-N 1 0 420.557 2.670 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000807115253 1080292130 /nfs/dbraw/zinc/29/21/30/1080292130.db2.gz XFMCMCHPPNFTDB-WOJBJXKFSA-N 1 0 422.573 2.745 20 0 HFADRO COC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000807147570 1080302826 /nfs/dbraw/zinc/30/28/26/1080302826.db2.gz GEBYFLODHJTACC-ABSDTBQOSA-N 1 0 402.539 2.816 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)c2cc(Br)ncc2Cl)ccn1 ZINC000807174523 1080328434 /nfs/dbraw/zinc/32/84/34/1080328434.db2.gz NBLOSLYOGQKZQQ-UHFFFAOYSA-N 1 0 413.703 2.763 20 0 HFADRO CS(=O)(=O)CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC001130872561 1080347314 /nfs/dbraw/zinc/34/73/14/1080347314.db2.gz ZMPVTDOMNWGJSU-UHFFFAOYSA-N 1 0 406.504 2.941 20 0 HFADRO C[N@@H+]1CCN(CCNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1(C)C ZINC000807207822 1080356981 /nfs/dbraw/zinc/35/69/81/1080356981.db2.gz AREMDPPGUZQZON-HSZRJFAPSA-N 1 0 424.589 2.958 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)C2)cc1C ZINC000807212692 1080361920 /nfs/dbraw/zinc/36/19/20/1080361920.db2.gz AIFZYSQNMDGGBR-QRFRQXIXSA-N 1 0 400.523 2.765 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)NCCCNC(=O)/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000807212425 1080363098 /nfs/dbraw/zinc/36/30/98/1080363098.db2.gz CEBCTXQBDFCJKL-ZGQNHIEXSA-N 1 0 412.509 2.947 20 0 HFADRO COc1ccc(C2=NO[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)C2)cc1 ZINC000807213639 1080364467 /nfs/dbraw/zinc/36/44/67/1080364467.db2.gz IPVCVEYJFGGPHC-TZIWHRDSSA-N 1 0 414.481 2.929 20 0 HFADRO C[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000807177448 1080369556 /nfs/dbraw/zinc/36/95/56/1080369556.db2.gz YTPVFIIDWDOSTQ-SWLSCSKDSA-N 1 0 415.763 2.596 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000807182006 1080374823 /nfs/dbraw/zinc/37/48/23/1080374823.db2.gz WBVGVYCQUDRFGY-DENIHFKCSA-N 1 0 403.567 2.951 20 0 HFADRO CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000807181671 1080375443 /nfs/dbraw/zinc/37/54/43/1080375443.db2.gz SFUAVZJVYPROMY-RBUKOAKNSA-N 1 0 412.575 2.530 20 0 HFADRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895653 1080432573 /nfs/dbraw/zinc/43/25/73/1080432573.db2.gz UADJQUNRIVEBRJ-QWHCGFSZSA-N 1 0 420.000 2.544 20 0 HFADRO CCOC(=O)C1=C(Nc2ccc3c(n2)CCNC3=O)CC[N@H+](Cc2ccccc2)C1 ZINC001170520958 1080437628 /nfs/dbraw/zinc/43/76/28/1080437628.db2.gz CNOBCOPONDYLPI-UHFFFAOYSA-N 1 0 406.486 2.503 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000747386688 1080461209 /nfs/dbraw/zinc/46/12/09/1080461209.db2.gz BNRXUONYSLHENU-UHFFFAOYSA-N 1 0 402.539 2.913 20 0 HFADRO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000807260587 1080467457 /nfs/dbraw/zinc/46/74/57/1080467457.db2.gz ONPWWXHAODRYIY-MRXNPFEDSA-N 1 0 415.538 2.755 20 0 HFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3CSC3=NCCS3)C2)CC1 ZINC000747389255 1080477247 /nfs/dbraw/zinc/47/72/47/1080477247.db2.gz MGJVJMSEBMYQCZ-KRWDZBQOSA-N 1 0 418.632 2.921 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccco1 ZINC000807310181 1080502695 /nfs/dbraw/zinc/50/26/95/1080502695.db2.gz BHFYXSJQJYCWHT-GUYCJALGSA-N 1 0 411.462 2.822 20 0 HFADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000807354565 1080516723 /nfs/dbraw/zinc/51/67/23/1080516723.db2.gz LTXHSXNGKATZGL-APWZRJJASA-N 1 0 416.522 2.915 20 0 HFADRO COc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1F ZINC000807354726 1080516891 /nfs/dbraw/zinc/51/68/91/1080516891.db2.gz HTUKICHARIWNAA-HSZRJFAPSA-N 1 0 411.477 2.897 20 0 HFADRO CN(C)c1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355749 1080517508 /nfs/dbraw/zinc/51/75/08/1080517508.db2.gz YCKKWYRTFZYZAF-XMMPIXPASA-N 1 0 406.530 2.816 20 0 HFADRO COc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc(OC)c1C(C)C ZINC000807355636 1080518004 /nfs/dbraw/zinc/51/80/04/1080518004.db2.gz TXVSISDAKXFZSR-RDJZCZTQSA-N 1 0 403.523 2.851 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000807359171 1080520522 /nfs/dbraw/zinc/52/05/22/1080520522.db2.gz UEEOMQCMVZLJFS-UHFFFAOYSA-N 1 0 416.566 2.878 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000807358735 1080520565 /nfs/dbraw/zinc/52/05/65/1080520565.db2.gz FIOXJBUWVXTLOE-UHFFFAOYSA-N 1 0 416.522 2.615 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000807358539 1080520782 /nfs/dbraw/zinc/52/07/82/1080520782.db2.gz YUMQMCICSCSCEQ-DFNIBXOVSA-N 1 0 401.507 2.666 20 0 HFADRO COc1cccc(C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000807338460 1080540309 /nfs/dbraw/zinc/54/03/09/1080540309.db2.gz IINICUXSUZJOKY-UHFFFAOYSA-N 1 0 411.546 2.809 20 0 HFADRO Cc1ccc([C@@H](O)[C@H](C)NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000807348441 1080555141 /nfs/dbraw/zinc/55/51/41/1080555141.db2.gz VMIDMLCXIYFSGY-UWJYYQICSA-N 1 0 413.518 2.502 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000807353000 1080559157 /nfs/dbraw/zinc/55/91/57/1080559157.db2.gz CHTKQCZLEWFLFZ-NVXWUHKLSA-N 1 0 404.942 2.964 20 0 HFADRO CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC000807394249 1080560604 /nfs/dbraw/zinc/56/06/04/1080560604.db2.gz FRMVXBQVCKCKNP-SFHVURJKSA-N 1 0 416.566 2.876 20 0 HFADRO C[C@H]1C[C@@H](c2ccccc2)N(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000807394101 1080561006 /nfs/dbraw/zinc/56/10/06/1080561006.db2.gz ZHTVZPYRYFCIEU-AVRDEDQJSA-N 1 0 406.530 2.987 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000805282004 1080571964 /nfs/dbraw/zinc/57/19/64/1080571964.db2.gz VCUZKCFMBJZORF-QGZVFWFLSA-N 1 0 410.559 2.769 20 0 HFADRO COc1cc(OC)cc([C@H](O)CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000807400012 1080595188 /nfs/dbraw/zinc/59/51/88/1080595188.db2.gz WFFGYWOLVOFRHN-IWMITWMQSA-N 1 0 401.507 2.728 20 0 HFADRO C[C@H](NC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000807402798 1080597869 /nfs/dbraw/zinc/59/78/69/1080597869.db2.gz MOUHACLQHWSXOV-QXAKKESOSA-N 1 0 420.554 2.613 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[NH+](C)C ZINC000807407589 1080602468 /nfs/dbraw/zinc/60/24/68/1080602468.db2.gz CTUYWKVTZKTZPY-UAGQMJEPSA-N 1 0 414.472 2.791 20 0 HFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)[NH+](C)C ZINC000807407588 1080602563 /nfs/dbraw/zinc/60/25/63/1080602563.db2.gz CTUYWKVTZKTZPY-PVAVHDDUSA-N 1 0 414.472 2.791 20 0 HFADRO Cc1nnc(-c2ccc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc3ccco3)cc2)o1 ZINC000807413649 1080612518 /nfs/dbraw/zinc/61/25/18/1080612518.db2.gz SWXRUEVEYCVJGY-UHFFFAOYSA-N 1 0 411.462 2.557 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807453291 1080632803 /nfs/dbraw/zinc/63/28/03/1080632803.db2.gz JDWAALYZIOKAFI-KDOFPFPSSA-N 1 0 406.477 2.589 20 0 HFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000807459330 1080636159 /nfs/dbraw/zinc/63/61/59/1080636159.db2.gz ZAAHIWABEBAEQK-CYBMUJFWSA-N 1 0 416.385 2.980 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1)c1ccco1 ZINC000807441702 1080663440 /nfs/dbraw/zinc/66/34/40/1080663440.db2.gz NDIXLIHPQUGVSC-FJIDUMEYSA-N 1 0 405.495 2.836 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccco1 ZINC000807444847 1080665608 /nfs/dbraw/zinc/66/56/08/1080665608.db2.gz KHVDUTHEEJAITJ-DZGCQCFKSA-N 1 0 418.460 2.809 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC000807486586 1080670586 /nfs/dbraw/zinc/67/05/86/1080670586.db2.gz JFIVRPHEFQHROH-SNVBAGLBSA-N 1 0 419.325 2.879 20 0 HFADRO COCC(C)(C)CCCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000807491003 1080679908 /nfs/dbraw/zinc/67/99/08/1080679908.db2.gz SDFPIYOLNFIGBV-UHFFFAOYSA-N 1 0 418.582 2.725 20 0 HFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807500294 1080697109 /nfs/dbraw/zinc/69/71/09/1080697109.db2.gz VHNXYCPRLLSENK-NLFFAJNJSA-N 1 0 423.557 2.523 20 0 HFADRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 ZINC000807509509 1080715690 /nfs/dbraw/zinc/71/56/90/1080715690.db2.gz KNEBQXNKERHCMB-UHFFFAOYSA-N 1 0 415.578 2.512 20 0 HFADRO CN(CCCC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000747399509 1080725168 /nfs/dbraw/zinc/72/51/68/1080725168.db2.gz RHBAUCXJUQTJOX-UHFFFAOYSA-N 1 0 403.976 2.831 20 0 HFADRO Cn1nc(C2CCCC2)cc1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000807477545 1080731329 /nfs/dbraw/zinc/73/13/29/1080731329.db2.gz OCWNDIPXAIUYMG-UHFFFAOYSA-N 1 0 424.549 2.797 20 0 HFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 ZINC001170526714 1080756704 /nfs/dbraw/zinc/75/67/04/1080756704.db2.gz QUXKMFHCSITGPM-ILXRZTDVSA-N 1 0 400.516 2.543 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1C ZINC000807543473 1080757534 /nfs/dbraw/zinc/75/75/34/1080757534.db2.gz OVZCLCBKNXWZRS-JXFKEZNVSA-N 1 0 424.501 2.891 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543263 1080758146 /nfs/dbraw/zinc/75/81/46/1080758146.db2.gz DMERBEGWZHKEIH-KXBFYZLASA-N 1 0 410.474 2.583 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543262 1080758332 /nfs/dbraw/zinc/75/83/32/1080758332.db2.gz DMERBEGWZHKEIH-HNAYVOBHSA-N 1 0 410.474 2.583 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000807544741 1080761697 /nfs/dbraw/zinc/76/16/97/1080761697.db2.gz ZWCDEJFDHURVDB-DNVCBOLYSA-N 1 0 410.474 2.583 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807547007 1080763129 /nfs/dbraw/zinc/76/31/29/1080763129.db2.gz VKSRMJXREMJHMG-PTUXOGIPSA-N 1 0 423.557 2.514 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000807551363 1080766428 /nfs/dbraw/zinc/76/64/28/1080766428.db2.gz RVPPVLXMKKCTFH-KGVIQGDOSA-N 1 0 424.586 2.671 20 0 HFADRO COC[C@]1(CNC(=O)N(C)CCC[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000807551327 1080766786 /nfs/dbraw/zinc/76/67/86/1080766786.db2.gz RMOQUAOTUGMQLR-OAQYLSRUSA-N 1 0 412.575 2.530 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000807526278 1080778065 /nfs/dbraw/zinc/77/80/65/1080778065.db2.gz AJKMXYAVIVOROO-UHFFFAOYSA-N 1 0 402.539 2.771 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C[C@@H]1C ZINC000747400986 1080778608 /nfs/dbraw/zinc/77/86/08/1080778608.db2.gz BAQDDVVHMANWSX-RDJZCZTQSA-N 1 0 417.579 2.964 20 0 HFADRO C[NH+]1CCC(OCC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC001130989878 1080783665 /nfs/dbraw/zinc/78/36/65/1080783665.db2.gz KBOJQIHAFAEYKB-QFIPXVFZSA-N 1 0 407.514 2.611 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCc2ccc3c(n2)CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000807573262 1080785240 /nfs/dbraw/zinc/78/52/40/1080785240.db2.gz ISPLEGJQUOWKOC-RUZDIDTESA-N 1 0 420.557 2.605 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000747404276 1080788461 /nfs/dbraw/zinc/78/84/61/1080788461.db2.gz UBCXKNMQDYRKMV-UHFFFAOYSA-N 1 0 402.539 2.772 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000807583081 1080794835 /nfs/dbraw/zinc/79/48/35/1080794835.db2.gz ZBCRLWZSANABRJ-AYBZRNKSSA-N 1 0 416.547 2.907 20 0 HFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000807552574 1080803054 /nfs/dbraw/zinc/80/30/54/1080803054.db2.gz AQWHXBBLMTXXCG-KGVIQGDOSA-N 1 0 424.586 2.671 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000807556312 1080806325 /nfs/dbraw/zinc/80/63/25/1080806325.db2.gz OPUCLFLXDZJJDB-KRWDZBQOSA-N 1 0 414.937 2.783 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000807556113 1080806860 /nfs/dbraw/zinc/80/68/60/1080806860.db2.gz LRACLZJVULRYLS-MRXNPFEDSA-N 1 0 409.317 2.732 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000807557560 1080811169 /nfs/dbraw/zinc/81/11/69/1080811169.db2.gz CVNCXMVIYIZOOE-UHFFFAOYSA-N 1 0 406.958 2.774 20 0 HFADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)cs2)cc1 ZINC000512331810 1126095625 /nfs/dbraw/zinc/09/56/25/1126095625.db2.gz KWAHGGMVQWYBSK-UHFFFAOYSA-N 1 0 414.552 2.833 20 0 HFADRO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1cnc(N2CCOCC2)s1)C(F)(F)F ZINC000604766206 1126100000 /nfs/dbraw/zinc/10/00/00/1126100000.db2.gz OCEKHRQXMQCWJW-JKSUJKDBSA-N 1 0 401.454 2.604 20 0 HFADRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000685619766 1126106343 /nfs/dbraw/zinc/10/63/43/1126106343.db2.gz ZPGGJSVTXUJTBU-HNNXBMFYSA-N 1 0 405.271 2.862 20 0 HFADRO CCOC(=O)Cn1cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c(-c2cccnc2)n1 ZINC001180897453 1126152852 /nfs/dbraw/zinc/15/28/52/1126152852.db2.gz UJGWWYAMUIRFCE-OAQYLSRUSA-N 1 0 408.502 2.510 20 0 HFADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC001198218370 1126154604 /nfs/dbraw/zinc/15/46/04/1126154604.db2.gz GDHCAZZYFUBZJV-LJQANCHMSA-N 1 0 420.282 2.679 20 0 HFADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC001308480498 1126166977 /nfs/dbraw/zinc/16/69/77/1126166977.db2.gz YKGFFJQTOHPWCD-QHCPKHFHSA-N 1 0 402.510 2.620 20 0 HFADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001460858150 1126192202 /nfs/dbraw/zinc/19/22/02/1126192202.db2.gz AEBOCKUBJYENKJ-LJQANCHMSA-N 1 0 412.939 2.801 20 0 HFADRO COc1ccc2c(C[NH2+][C@](C)(CO)Cc3ccc(OC)c(OC)c3)cc(=O)oc2c1 ZINC001460871337 1126193329 /nfs/dbraw/zinc/19/33/29/1126193329.db2.gz SIGVPLNUQOZPNY-QHCPKHFHSA-N 1 0 413.470 2.902 20 0 HFADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ncc(I)s1 ZINC001474227477 1126203669 /nfs/dbraw/zinc/20/36/69/1126203669.db2.gz XCYJLYLAYMPKGU-AWEZNQCLSA-N 1 0 406.264 2.970 20 0 HFADRO NS(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1Cl ZINC001560330373 1126210158 /nfs/dbraw/zinc/21/01/58/1126210158.db2.gz MDXHRLSSBXPPPN-GDBMZVCRSA-N 1 0 422.856 2.612 20 0 HFADRO Fc1ccc2nc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)nc(Cl)c2c1 ZINC001164416208 718885310 /nfs/dbraw/zinc/88/53/10/718885310.db2.gz UQATUKRDBWJAQP-UHFFFAOYSA-N 1 0 423.830 2.658 20 0 HFADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423808 718917110 /nfs/dbraw/zinc/91/71/10/718917110.db2.gz JNRBTCZYZWRXGC-QGZVFWFLSA-N 1 0 414.840 2.520 20 0 HFADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423807 718918505 /nfs/dbraw/zinc/91/85/05/718918505.db2.gz JNRBTCZYZWRXGC-KRWDZBQOSA-N 1 0 414.840 2.520 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2[NH2+]Cc3ccccc3[C@H]2C1 ZINC001164425265 718939700 /nfs/dbraw/zinc/93/97/00/718939700.db2.gz VHOBIJPDZUJJNN-HUUCEWRRSA-N 1 0 408.836 2.927 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164432041 718967792 /nfs/dbraw/zinc/96/77/92/718967792.db2.gz FCJNZZANXJCNNC-KGLIPLIRSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164614449 719010006 /nfs/dbraw/zinc/01/00/06/719010006.db2.gz FJZRJTFVCGMGEA-UGSOOPFHSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nccnc1Cl)C2 ZINC001164616602 719010025 /nfs/dbraw/zinc/01/00/25/719010025.db2.gz LEKAFGJAUQIYGL-FZKQIMNGSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nccnc1Cl)C2 ZINC001164616612 719010210 /nfs/dbraw/zinc/01/02/10/719010210.db2.gz LEKAFGJAUQIYGL-UGSOOPFHSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)ccc3C(=O)OC)CC2)CC1 ZINC001164620398 719021514 /nfs/dbraw/zinc/02/15/14/719021514.db2.gz YZCFHJZWDCZGBG-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(Cl)cc3C(=O)OC)CC2)CC1 ZINC001164614368 719021946 /nfs/dbraw/zinc/02/19/46/719021946.db2.gz RTOHOWKGHAVTMJ-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CCOC(=O)c1cc(Cl)nnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164613788 719023795 /nfs/dbraw/zinc/02/37/95/719023795.db2.gz DSZWVOUDUJWMLE-UHFFFAOYSA-N 1 0 424.929 2.551 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(NC(=O)C(C)(C)C)nn3)CC2)CC1 ZINC001164616994 719026714 /nfs/dbraw/zinc/02/67/14/719026714.db2.gz HKTOLSSRMFBOFA-UHFFFAOYSA-N 1 0 417.554 2.705 20 0 HFADRO NC(=O)c1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164621282 719044085 /nfs/dbraw/zinc/04/40/85/719044085.db2.gz IEWXDRDGYIRHEE-KXBFYZLASA-N 1 0 406.864 2.962 20 0 HFADRO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164630931 719100032 /nfs/dbraw/zinc/10/00/32/719100032.db2.gz XRMXOGHILRJINI-RXVVDRJESA-N 1 0 412.559 2.623 20 0 HFADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164635251 719136346 /nfs/dbraw/zinc/13/63/46/719136346.db2.gz WQKNLWHPCYTVGN-MRXNPFEDSA-N 1 0 411.836 2.810 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000508342133 719236532 /nfs/dbraw/zinc/23/65/32/719236532.db2.gz TZOJGURVEMYNPY-HZPDHXFCSA-N 1 0 415.607 2.931 20 0 HFADRO CC(C)C[NH+]1CCN(c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)CC1 ZINC001164657638 719338600 /nfs/dbraw/zinc/33/86/00/719338600.db2.gz VQVAQRPPYWSGCA-UHFFFAOYSA-N 1 0 410.490 2.939 20 0 HFADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001164671343 719378938 /nfs/dbraw/zinc/37/89/38/719378938.db2.gz WXMMVZQYHSTSMQ-UGKGYDQZSA-N 1 0 406.486 2.737 20 0 HFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164673765 719444238 /nfs/dbraw/zinc/44/42/38/719444238.db2.gz UEJILIYTPFRYTG-IAGOWNOFSA-N 1 0 413.591 2.685 20 0 HFADRO COc1ccc2nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c(Cl)nc2c1 ZINC001164684340 719617637 /nfs/dbraw/zinc/61/76/37/719617637.db2.gz OXUGIUZYTGONBI-UHFFFAOYSA-N 1 0 400.914 2.963 20 0 HFADRO CC(C)N(C)Cc1nn(-c2nc(Cl)ccc2C(=O)NC(C)(C)C)c2c1CC[NH2+]C2 ZINC001164683385 719626816 /nfs/dbraw/zinc/62/68/16/719626816.db2.gz SGJWTJAJPFDNCA-UHFFFAOYSA-N 1 0 418.973 2.935 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164683723 719722724 /nfs/dbraw/zinc/72/27/24/719722724.db2.gz DKIZJETWQPJHLS-UHFFFAOYSA-N 1 0 418.545 2.660 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1ccn3C(C)C)CC2 ZINC001164684348 719737309 /nfs/dbraw/zinc/73/73/09/719737309.db2.gz GLIJKSNZZIFOOA-UHFFFAOYSA-N 1 0 404.946 2.846 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ncccn4)[C@H]3C2)nc1 ZINC001164692658 719801929 /nfs/dbraw/zinc/80/19/29/719801929.db2.gz OHKDXAITPLZRTE-QHAWAJNXSA-N 1 0 408.550 2.903 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)NC4CC4)nn2)CC3)cs1 ZINC001164691571 719815208 /nfs/dbraw/zinc/81/52/08/719815208.db2.gz HPBFXJJCPOGPDA-UHFFFAOYSA-N 1 0 412.563 2.769 20 0 HFADRO Cc1noc([C@@]23COC[C@H]2CN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164807748 720055663 /nfs/dbraw/zinc/05/56/63/720055663.db2.gz WRURMDWTGFKGBY-YKSBVNFPSA-N 1 0 417.513 2.736 20 0 HFADRO COCc1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)c2c1C[NH2+]C2 ZINC001164713179 720079256 /nfs/dbraw/zinc/07/92/56/720079256.db2.gz RWSHZGHHPSKMMY-UHFFFAOYSA-N 1 0 410.909 2.624 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3ccc(C(=O)OC)cc3n1)C2 ZINC001164815710 720081856 /nfs/dbraw/zinc/08/18/56/720081856.db2.gz ZERJTXFCXAYCAJ-CVDCTZTESA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(C(=O)OC)ccc31)C2 ZINC001164806327 720082140 /nfs/dbraw/zinc/08/21/40/720082140.db2.gz BNWTWCYKRZUHBS-FDDCHVKYSA-N 1 0 410.518 2.601 20 0 HFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164809998 720114264 /nfs/dbraw/zinc/11/42/64/720114264.db2.gz JCOJWWNAFHJRAW-NTKDMRAZSA-N 1 0 424.545 2.991 20 0 HFADRO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)[nH]c-2n1 ZINC001164813882 720143754 /nfs/dbraw/zinc/14/37/54/720143754.db2.gz RLGGUZYAOLIWJU-FDDCHVKYSA-N 1 0 412.534 2.924 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164813801 720148164 /nfs/dbraw/zinc/14/81/64/720148164.db2.gz QQUKIWYVOUAEEA-WMZHIEFXSA-N 1 0 400.567 2.795 20 0 HFADRO COc1ccc2ccnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164718131 720191629 /nfs/dbraw/zinc/19/16/29/720191629.db2.gz XKKNWHXCYZWWNK-NRFANRHFSA-N 1 0 422.533 2.588 20 0 HFADRO Cn1nnc2c1CCN(C(C)(C)c1ccnc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718912 720206673 /nfs/dbraw/zinc/20/66/73/720206673.db2.gz OWEDYPJWAVEJFN-GOSISDBHSA-N 1 0 418.973 2.810 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](F)Oc1ccnc(Cl)c1)CCC2 ZINC001164812850 720217999 /nfs/dbraw/zinc/21/79/99/720217999.db2.gz JPNOVZGBLRFSFZ-IBGZPJMESA-N 1 0 409.893 2.670 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)c3ccoc31)CCC2 ZINC001164813815 720228946 /nfs/dbraw/zinc/22/89/46/720228946.db2.gz PMECAIOULSAGCK-UHFFFAOYSA-N 1 0 402.886 2.683 20 0 HFADRO Cc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164820875 720285196 /nfs/dbraw/zinc/28/51/96/720285196.db2.gz YKVLYFHBCBSRRO-MOPGFXCFSA-N 1 0 400.571 2.517 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncn2)CC1 ZINC001164819537 720286097 /nfs/dbraw/zinc/28/60/97/720286097.db2.gz RMGWGSDMJZJCJT-HUUCEWRRSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cn2)CC1 ZINC001164821913 720296708 /nfs/dbraw/zinc/29/67/08/720296708.db2.gz LYQDTIMQZRXJTR-GJZGRUSLSA-N 1 0 413.900 2.586 20 0 HFADRO COc1ccc2cnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164820167 720309659 /nfs/dbraw/zinc/30/96/59/720309659.db2.gz GYDABEHYJMGPLD-RTWAWAEBSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)nc3nc[nH]c32)CC1 ZINC001164824553 720314167 /nfs/dbraw/zinc/31/41/67/720314167.db2.gz RMASWPOCXNXHQR-LSDHHAIUSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(OC(C)(C)C)n2)CC1 ZINC001164830912 720320299 /nfs/dbraw/zinc/32/02/99/720320299.db2.gz QMPPZCFPOXEKQD-QZTJIDSGSA-N 1 0 401.555 2.565 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164823926 720335329 /nfs/dbraw/zinc/33/53/29/720335329.db2.gz BROXFHOXWKMLPT-IRXDYDNUSA-N 1 0 419.957 2.693 20 0 HFADRO CCc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)nc1C ZINC001164828827 720354624 /nfs/dbraw/zinc/35/46/24/720354624.db2.gz QHDXQESHONNHOV-MSOLQXFVSA-N 1 0 405.974 2.912 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccnc(-c3nccs3)n2)CC1 ZINC001164825750 720354805 /nfs/dbraw/zinc/35/48/05/720354805.db2.gz JRDMECJUGQKBKX-SJORKVTESA-N 1 0 412.563 2.512 20 0 HFADRO c1ccc2nc(N3CCOCC3)c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164721752 720379089 /nfs/dbraw/zinc/37/90/89/720379089.db2.gz AYOWSRYMMGXTMA-FCHUYYIVSA-N 1 0 416.529 2.715 20 0 HFADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724239 720400528 /nfs/dbraw/zinc/40/05/28/720400528.db2.gz IMZYFTOZZZDQJU-UXHICEINSA-N 1 0 401.518 2.853 20 0 HFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)CC[C@@H]21)N1CCCCC1 ZINC001164835744 720501918 /nfs/dbraw/zinc/50/19/18/720501918.db2.gz KVFWRUIIPHDLRJ-FKBYEOEOSA-N 1 0 412.578 2.921 20 0 HFADRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C(N)=O ZINC001164839403 720510859 /nfs/dbraw/zinc/51/08/59/720510859.db2.gz UAYJFAYQDWFLSK-GVDBMIGSSA-N 1 0 416.957 2.717 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2ccn3Cc2ccccc2)C1 ZINC001164727420 720516923 /nfs/dbraw/zinc/51/69/23/720516923.db2.gz FYQODZIEKANNAI-IBGZPJMESA-N 1 0 401.518 2.874 20 0 HFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834954 720518226 /nfs/dbraw/zinc/51/82/26/720518226.db2.gz IQEVTEOWVWKUGZ-YVWKXTFCSA-N 1 0 415.513 2.972 20 0 HFADRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164832799 720524167 /nfs/dbraw/zinc/52/41/67/720524167.db2.gz BKNVRJMFMVCRLV-RRFJBIMHSA-N 1 0 407.975 2.821 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3COC4)CC[C@@H]21 ZINC001164835242 720524869 /nfs/dbraw/zinc/52/48/69/720524869.db2.gz JFCNAZYOJYJQJL-VKJFTORMSA-N 1 0 402.930 2.735 20 0 HFADRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838413 720525002 /nfs/dbraw/zinc/52/50/02/720525002.db2.gz QTHQMNBEXKVNHP-QWFCFKBJSA-N 1 0 412.538 2.536 20 0 HFADRO COc1ccc(-c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)c(OC)c1 ZINC001164734852 720528653 /nfs/dbraw/zinc/52/86/53/720528653.db2.gz SCDUSAGEZXTSHR-MRXNPFEDSA-N 1 0 408.506 2.555 20 0 HFADRO COc1ccc(OC)c(-c2ccc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nn2)c1 ZINC001164735492 720528912 /nfs/dbraw/zinc/52/89/12/720528912.db2.gz YQUZIAHUUQUCIV-MRXNPFEDSA-N 1 0 408.506 2.555 20 0 HFADRO COCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(SC)n1 ZINC001164842913 720540390 /nfs/dbraw/zinc/54/03/90/720540390.db2.gz YVCXVVBLCKAONU-NZSAHSFTSA-N 1 0 416.595 2.919 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)NC4CC4)cn3)CC[C@@H]21 ZINC001164836766 720554822 /nfs/dbraw/zinc/55/48/22/720554822.db2.gz KWZTVEHPLNRMJC-GIVPXCGWSA-N 1 0 408.550 2.548 20 0 HFADRO COc1cc2nc(C)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2cc1OC ZINC001164727236 720565108 /nfs/dbraw/zinc/56/51/08/720565108.db2.gz CLDWWOPTVHKDIV-UHFFFAOYSA-N 1 0 422.533 2.810 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736320 720585504 /nfs/dbraw/zinc/58/55/04/720585504.db2.gz IEERUGKAJNDDFM-UHFFFAOYSA-N 1 0 405.502 2.876 20 0 HFADRO CC(C)n1cnc2cnc(N3CC[C@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc21 ZINC001164837225 720607293 /nfs/dbraw/zinc/60/72/93/720607293.db2.gz HRGKTIIXEKXQEJ-HBFSDRIKSA-N 1 0 408.554 2.982 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C(N)=O)cc4ccccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842214 720615853 /nfs/dbraw/zinc/61/58/53/720615853.db2.gz UQFOKAWQCCKYCH-CNNODRBYSA-N 1 0 418.545 2.908 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2c1ccn2C ZINC001164843585 720641027 /nfs/dbraw/zinc/64/10/27/720641027.db2.gz YIWLWPLBFAHHCM-YQVWRLOYSA-N 1 0 409.538 2.551 20 0 HFADRO Fc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738998 720667565 /nfs/dbraw/zinc/66/75/65/720667565.db2.gz LWMCPIZPCJNOPM-STQMWFEESA-N 1 0 400.845 2.554 20 0 HFADRO c1[nH]c2ccccc2c1-c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736692 720689008 /nfs/dbraw/zinc/68/90/08/720689008.db2.gz ALDQGKIZRJHVBH-SJORKVTESA-N 1 0 413.485 2.757 20 0 HFADRO CCOC(=O)c1nccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164845331 720690283 /nfs/dbraw/zinc/69/02/83/720690283.db2.gz YHWWWEQCLNGALO-LJQANCHMSA-N 1 0 410.518 2.913 20 0 HFADRO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164845177 720740997 /nfs/dbraw/zinc/74/09/97/720740997.db2.gz WQVVTCGXMQCTEC-UHFFFAOYSA-N 1 0 422.871 2.752 20 0 HFADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164746700 720797356 /nfs/dbraw/zinc/79/73/56/720797356.db2.gz MQJYXACDJXPHPZ-RBUKOAKNSA-N 1 0 420.542 2.901 20 0 HFADRO FC(F)(N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164740887 720804987 /nfs/dbraw/zinc/80/49/87/720804987.db2.gz AQNPXEBPPQJNHW-HZPDHXFCSA-N 1 0 421.879 2.987 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741353 720808048 /nfs/dbraw/zinc/80/80/48/720808048.db2.gz BBDKKKHJGGEDQR-XUVXKRRUSA-N 1 0 410.570 2.576 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749793 720808621 /nfs/dbraw/zinc/80/86/21/720808621.db2.gz UOGNWOKMOPAPEB-IRFCIJBXSA-N 1 0 424.549 2.538 20 0 HFADRO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748268 720808711 /nfs/dbraw/zinc/80/87/11/720808711.db2.gz QFOGFWFBJYYLQA-BZUAXINKSA-N 1 0 423.899 2.646 20 0 HFADRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164745975 720808860 /nfs/dbraw/zinc/80/88/60/720808860.db2.gz LASKTHTUQCBCJA-RCCFBDPRSA-N 1 0 401.946 2.718 20 0 HFADRO Clc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748713 720812863 /nfs/dbraw/zinc/81/28/63/720812863.db2.gz RBUAZIIROLQEEL-SQWLQELKSA-N 1 0 408.337 2.754 20 0 HFADRO FC(F)(c1nccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164752078 720814675 /nfs/dbraw/zinc/81/46/75/720814675.db2.gz YNZLTLHWRPDLSC-OWCLPIDISA-N 1 0 423.899 2.646 20 0 HFADRO COc1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748333 720815006 /nfs/dbraw/zinc/81/50/06/720815006.db2.gz QTDMQZUQPYXKSQ-BPQIPLTHSA-N 1 0 402.930 2.715 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746900 720817273 /nfs/dbraw/zinc/81/72/73/720817273.db2.gz ZLBNGSHHVUVNEL-IRFCIJBXSA-N 1 0 424.549 2.538 20 0 HFADRO Fc1cccc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744111 720825172 /nfs/dbraw/zinc/82/51/72/720825172.db2.gz UFOZGCJJKCGVEA-ABSDTBQOSA-N 1 0 407.497 2.740 20 0 HFADRO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743340 720825550 /nfs/dbraw/zinc/82/55/50/720825550.db2.gz SHESNRRYKJANID-RRFJBIMHSA-N 1 0 408.337 2.754 20 0 HFADRO Cc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164737430 720829381 /nfs/dbraw/zinc/82/93/81/720829381.db2.gz BCCCVJVGIVHEMB-FGTMMUONSA-N 1 0 401.946 2.718 20 0 HFADRO COc1cccc2cnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164739232 720830827 /nfs/dbraw/zinc/83/08/27/720830827.db2.gz HVVYTLQHMYMCDE-VAMGGRTRSA-N 1 0 419.533 2.609 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164742084 720831364 /nfs/dbraw/zinc/83/13/64/720831364.db2.gz PRVRBNSQPJTESM-WOIUINJBSA-N 1 0 419.533 2.609 20 0 HFADRO Fc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749402 720832749 /nfs/dbraw/zinc/83/27/49/720832749.db2.gz VTQLIFZSEYGIGP-FUHIMQAGSA-N 1 0 407.497 2.740 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@@H]2C1 ZINC001164855895 720834721 /nfs/dbraw/zinc/83/47/21/720834721.db2.gz VKCHKIOOPGFWRD-NEPJUHHUSA-N 1 0 411.280 2.502 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2occc21 ZINC001164742956 720838087 /nfs/dbraw/zinc/83/80/87/720838087.db2.gz HOURRFZODSEZNF-YQQAZPJKSA-N 1 0 413.913 2.847 20 0 HFADRO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748729 720840984 /nfs/dbraw/zinc/84/09/84/720840984.db2.gz URZHLFODMGZQKB-HRCADAONSA-N 1 0 423.899 2.646 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccnc3C3SCCCS3)CC[C@H]2C1 ZINC001164857095 720847067 /nfs/dbraw/zinc/84/70/67/720847067.db2.gz XHUQBFDRPYPXIO-HOTGVXAUSA-N 1 0 410.609 2.519 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(-c4c[nH]c5ccccc54)n3)CC[C@H]2C1 ZINC001164857478 720852709 /nfs/dbraw/zinc/85/27/09/720852709.db2.gz QYYAEBQWGJMJOF-HTAPYJJXSA-N 1 0 407.518 2.798 20 0 HFADRO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2C1 ZINC001164744598 720855645 /nfs/dbraw/zinc/85/56/45/720855645.db2.gz BXHNMKGDZCURLB-ALOBAPJISA-N 1 0 407.566 2.572 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864972 720874122 /nfs/dbraw/zinc/87/41/22/720874122.db2.gz XOEDGYDCHAJDFL-WBVHZDCISA-N 1 0 402.564 2.662 20 0 HFADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164859826 720938798 /nfs/dbraw/zinc/93/87/98/720938798.db2.gz NUOPJGHSGBOHJS-AWEZNQCLSA-N 1 0 411.510 2.753 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164749955 720955656 /nfs/dbraw/zinc/95/56/56/720955656.db2.gz IONAXIIYXRFXIX-UHFFFAOYSA-N 1 0 418.712 2.884 20 0 HFADRO Cc1ccc(C)c(-c2ccc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nn2)c1 ZINC001164753716 720965475 /nfs/dbraw/zinc/96/54/75/720965475.db2.gz ISPOKYBJDKALJF-UHFFFAOYSA-N 1 0 420.517 2.603 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3c(Cl)ccc(F)c3n1)CC2 ZINC001164753163 720968899 /nfs/dbraw/zinc/96/88/99/720968899.db2.gz AJEYEIDWKJPAID-UHFFFAOYSA-N 1 0 417.872 2.869 20 0 HFADRO CCOC(=O)c1ncnc(Cl)c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858080 720993536 /nfs/dbraw/zinc/99/35/36/720993536.db2.gz GRUKYHSGFVEFSZ-CYBMUJFWSA-N 1 0 406.918 2.925 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C)CC3)[C@H]2C ZINC001164863878 721019416 /nfs/dbraw/zinc/01/94/16/721019416.db2.gz VKALNNVGNOEWHJ-AWEZNQCLSA-N 1 0 403.962 2.736 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)[C@@H]2C ZINC001164859554 721020477 /nfs/dbraw/zinc/02/04/77/721020477.db2.gz JEXZKDXFQCIPSP-GDBMZVCRSA-N 1 0 420.945 2.916 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)[C@H]2C ZINC001164859556 721020539 /nfs/dbraw/zinc/02/05/39/721020539.db2.gz JEXZKDXFQCIPSP-GOEBONIOSA-N 1 0 420.945 2.916 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773491 721073531 /nfs/dbraw/zinc/07/35/31/721073531.db2.gz XJMRZGPHBCQVPV-CVEARBPZSA-N 1 0 403.914 2.604 20 0 HFADRO CSc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CCCC2 ZINC001164865688 721081680 /nfs/dbraw/zinc/08/16/80/721081680.db2.gz OHJXBGZDEBHIJD-ROUUACIJSA-N 1 0 411.575 2.952 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)NC4CCCCC4)C[C@H]3C2)cn1 ZINC001164761072 721083429 /nfs/dbraw/zinc/08/34/29/721083429.db2.gz AOILROVWJLRRHZ-WOJBJXKFSA-N 1 0 422.577 2.836 20 0 HFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866009 721102469 /nfs/dbraw/zinc/10/24/69/721102469.db2.gz RADXAHJNYAUUOS-JKSUJKDBSA-N 1 0 409.868 2.737 20 0 HFADRO CCCN(CCC)c1cncc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865150 721116520 /nfs/dbraw/zinc/11/65/20/721116520.db2.gz IUAANEQOIUDHFB-LEWJYISDSA-N 1 0 410.566 2.978 20 0 HFADRO c1ccc(COc2cnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cn2)cc1 ZINC001164863717 721120291 /nfs/dbraw/zinc/12/02/91/721120291.db2.gz DALKTZPPZICYGZ-FCHUYYIVSA-N 1 0 417.513 2.930 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164769181 721123648 /nfs/dbraw/zinc/12/36/48/721123648.db2.gz PRFWRWWXQUXJST-JKSUJKDBSA-N 1 0 411.884 2.894 20 0 HFADRO CCOC(=O)c1cnc2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH]cc1-2 ZINC001164881196 721134843 /nfs/dbraw/zinc/13/48/43/721134843.db2.gz ZRHPQBHNGZBFIN-QZTJIDSGSA-N 1 0 421.501 2.614 20 0 HFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(C)nc2c1 ZINC001164880456 721161034 /nfs/dbraw/zinc/16/10/34/721161034.db2.gz WTTDJFYPSNXOEF-QUCCMNQESA-N 1 0 405.502 2.822 20 0 HFADRO COc1cccc(-c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164773826 721168554 /nfs/dbraw/zinc/16/85/54/721168554.db2.gz XIVVKWLFHOQMST-PMACEKPBSA-N 1 0 404.518 2.844 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@@H]3C2)cn1 ZINC001164772911 721178836 /nfs/dbraw/zinc/17/88/36/721178836.db2.gz VZLVFLLFQLXQTQ-SFTDATJTSA-N 1 0 400.530 2.934 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@H]3C2)cn1 ZINC001164772908 721179032 /nfs/dbraw/zinc/17/90/32/721179032.db2.gz VZLVFLLFQLXQTQ-NHCUHLMSSA-N 1 0 400.530 2.934 20 0 HFADRO COc1cc(OC)c2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868742 721188303 /nfs/dbraw/zinc/18/83/03/721188303.db2.gz NOWDVFSZWSROHH-HKUYNNGSSA-N 1 0 421.501 2.522 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164766220 721230932 /nfs/dbraw/zinc/23/09/32/721230932.db2.gz SZDKMCBRVXITPL-RTBURBONSA-N 1 0 405.506 2.701 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@H]3C2)cn1 ZINC001164769741 721245038 /nfs/dbraw/zinc/24/50/38/721245038.db2.gz ZMABCSGZNPCXIK-HUUCEWRRSA-N 1 0 412.588 2.622 20 0 HFADRO c1ncn2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@@H](COc1cccnc1)C2 ZINC001164769977 721275404 /nfs/dbraw/zinc/27/54/04/721275404.db2.gz QLHHZGPCUZCBHV-HXUWFJFHSA-N 1 0 404.518 2.984 20 0 HFADRO Clc1cc(C2CC[NH2+]CC2)nc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164789912 721402341 /nfs/dbraw/zinc/40/23/41/721402341.db2.gz VEMAMLWGQOXOIR-GJZGRUSLSA-N 1 0 404.971 2.622 20 0 HFADRO CCOc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889906 721409015 /nfs/dbraw/zinc/40/90/15/721409015.db2.gz RVOVGLWRUZTXLG-DYESRHJHSA-N 1 0 408.974 2.899 20 0 HFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896112 721432105 /nfs/dbraw/zinc/43/21/05/721432105.db2.gz QNGVIJNYBBHLAT-XUZZJYLKSA-N 1 0 422.577 2.612 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896694 721438035 /nfs/dbraw/zinc/43/80/35/721438035.db2.gz RTTUZHSMSMEGCJ-GCJKJVERSA-N 1 0 413.591 2.971 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889568 721440238 /nfs/dbraw/zinc/44/02/38/721440238.db2.gz BTWLBYRHHRUGCV-DHLKQENFSA-N 1 0 421.589 2.833 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164888799 721442252 /nfs/dbraw/zinc/44/22/52/721442252.db2.gz AZQHIUPEWDSHOD-NQIIRXRSSA-N 1 0 405.612 2.743 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C(=O)OC)ccn1)CC2 ZINC001164786918 721450723 /nfs/dbraw/zinc/45/07/23/721450723.db2.gz ORSYKAPXQSFWRG-FQEVSTJZSA-N 1 0 417.550 2.602 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ncccc31)CC2 ZINC001164785997 721453317 /nfs/dbraw/zinc/45/33/17/721453317.db2.gz LQFVIMGIFOFURD-IBGZPJMESA-N 1 0 411.550 2.759 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3ncsc3n1)CC2 ZINC001164786848 721462586 /nfs/dbraw/zinc/46/25/86/721462586.db2.gz PVXMZKRDIDKGGT-KRWDZBQOSA-N 1 0 417.579 2.820 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@]3(CC(=O)NCC3CC3)C2)nc1 ZINC001164894316 721484671 /nfs/dbraw/zinc/48/46/71/721484671.db2.gz HHBOKVJNVTZUDA-IMSXRSKXSA-N 1 0 412.578 2.998 20 0 HFADRO CON(C)C(=O)c1cccnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796263 721498577 /nfs/dbraw/zinc/49/85/77/721498577.db2.gz OWTQHJBCAXPMOR-UHFFFAOYSA-N 1 0 409.534 2.991 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc4cc(F)ccc42)CC3)CC1 ZINC001164794682 721508329 /nfs/dbraw/zinc/50/83/29/721508329.db2.gz CXHLYBGEHUVQNZ-UHFFFAOYSA-N 1 0 414.916 2.991 20 0 HFADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCCC1 ZINC001164900322 721509234 /nfs/dbraw/zinc/50/92/34/721509234.db2.gz QDORNYYDWAHWKU-ICSRJNTNSA-N 1 0 410.493 2.799 20 0 HFADRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(N)=O ZINC001164897695 721513144 /nfs/dbraw/zinc/51/31/44/721513144.db2.gz GIAZXEMXAXJRKS-HOCLYGCPSA-N 1 0 404.873 2.623 20 0 HFADRO CC[C@H](C)c1nc(Cl)c(C)c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795193 721521191 /nfs/dbraw/zinc/52/11/91/721521191.db2.gz LQMYVFRNIBKBQR-HNNXBMFYSA-N 1 0 417.989 2.916 20 0 HFADRO Cc1nc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2[nH]1 ZINC001164900304 721525113 /nfs/dbraw/zinc/52/51/13/721525113.db2.gz PZPADVBJMMMMPU-DZGCQCFKSA-N 1 0 402.861 2.796 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164912347 721533079 /nfs/dbraw/zinc/53/30/79/721533079.db2.gz YZUWCPSIEGBXOX-AEFFLSMTSA-N 1 0 413.497 2.942 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164805988 721537503 /nfs/dbraw/zinc/53/75/03/721537503.db2.gz NEFJPCKNPBBXTM-RZUBCFFCSA-N 1 0 410.518 2.830 20 0 HFADRO CC(C)c1nc(N(C)C)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911532 721541395 /nfs/dbraw/zinc/54/13/95/721541395.db2.gz XCOTXHYAYHONDB-AEFFLSMTSA-N 1 0 400.502 2.542 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc-2n1 ZINC001164809422 721571687 /nfs/dbraw/zinc/57/16/87/721571687.db2.gz XETMFEDXMCQLPF-RZUBCFFCSA-N 1 0 421.501 2.613 20 0 HFADRO Cc1noc(-c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2)n1 ZINC001164809547 721580975 /nfs/dbraw/zinc/58/09/75/721580975.db2.gz TVFTWCMSSCKVEQ-IRFCIJBXSA-N 1 0 406.490 2.703 20 0 HFADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ncccc2C[NH+]2CCCC2)C1 ZINC001164804629 721606782 /nfs/dbraw/zinc/60/67/82/721606782.db2.gz MGCBHOGHQIQDIO-QHCPKHFHSA-N 1 0 408.550 2.520 20 0 HFADRO COC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1N ZINC001164907415 721697329 /nfs/dbraw/zinc/69/73/29/721697329.db2.gz SJZVRWBTVBXDEE-HXUWFJFHSA-N 1 0 417.460 2.583 20 0 HFADRO COC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022615 721816405 /nfs/dbraw/zinc/81/64/05/721816405.db2.gz GDRUXGCTHCELCX-KFKAGJAMSA-N 1 0 420.517 2.876 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)C[C@H]21 ZINC001165023936 721821747 /nfs/dbraw/zinc/82/17/47/721821747.db2.gz IVGSLLCXTYYOKJ-KBAYOESNSA-N 1 0 406.534 2.838 20 0 HFADRO COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2cc1OC ZINC001164925754 721858412 /nfs/dbraw/zinc/85/84/12/721858412.db2.gz FXLVXZFDSDZYMU-CVEARBPZSA-N 1 0 405.930 2.515 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926573 721865186 /nfs/dbraw/zinc/86/51/86/721865186.db2.gz RWRDYJVPGYIHFO-ROUUACIJSA-N 1 0 401.942 2.924 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927973 721871012 /nfs/dbraw/zinc/87/10/12/721871012.db2.gz XQJJXJNLFUAKPJ-CVEARBPZSA-N 1 0 406.893 2.671 20 0 HFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165037412 721908290 /nfs/dbraw/zinc/90/82/90/721908290.db2.gz GODJIOYBGICPKS-AWEZNQCLSA-N 1 0 404.898 2.761 20 0 HFADRO C[NH+](C)CC1CCN([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)CC1 ZINC001165044605 721948039 /nfs/dbraw/zinc/94/80/39/721948039.db2.gz GIMNENMVMGNVRK-HXUWFJFHSA-N 1 0 424.952 2.771 20 0 HFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[NH+](CCOc4ccccc4)CC3)cc-2n1 ZINC001165043861 721955713 /nfs/dbraw/zinc/95/57/13/721955713.db2.gz FMKQJMCQGPBQGF-UHFFFAOYSA-N 1 0 410.474 2.559 20 0 HFADRO COC(=O)C1CCN(c2ccnc(N3CCCC[C@@H]3CC[NH+]3CCCC3)n2)CC1 ZINC001165049081 721973549 /nfs/dbraw/zinc/97/35/49/721973549.db2.gz MUBUJWFSXGLNNG-LJQANCHMSA-N 1 0 401.555 2.711 20 0 HFADRO NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952920 722015316 /nfs/dbraw/zinc/01/53/16/722015316.db2.gz OWTPYNLFDAYRMP-UHFFFAOYSA-N 1 0 403.889 2.861 20 0 HFADRO COC(=O)c1nc(N2CC[NH+](CCc3ccccn3)CC2)c2ccccc2c1OC ZINC001165054923 722018864 /nfs/dbraw/zinc/01/88/64/722018864.db2.gz JWXNBLAKLLGRRO-UHFFFAOYSA-N 1 0 406.486 2.790 20 0 HFADRO COc1nc(Cl)cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164958704 722052361 /nfs/dbraw/zinc/05/23/61/722052361.db2.gz FHSZLAJKTDLUGV-UHFFFAOYSA-N 1 0 403.914 2.653 20 0 HFADRO CCOC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961148 722052413 /nfs/dbraw/zinc/05/24/13/722052413.db2.gz SCKFEIVTGCRVLO-UHFFFAOYSA-N 1 0 410.518 2.772 20 0 HFADRO F[C@@H](Oc1cncc(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966301 722061404 /nfs/dbraw/zinc/06/14/04/722061404.db2.gz QFTLIGZZLGYVTJ-LJQANCHMSA-N 1 0 421.904 2.772 20 0 HFADRO Clc1nc(Cl)c2nc(Cl)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2n1 ZINC001164967070 722069924 /nfs/dbraw/zinc/06/99/24/722069924.db2.gz GYIHRKZQMQXIPI-AOOOYVTPSA-N 1 0 415.712 2.679 20 0 HFADRO Fc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164985144 722100358 /nfs/dbraw/zinc/10/03/58/722100358.db2.gz UZGXIQHWZSNECX-ZBFHGGJFSA-N 1 0 416.888 2.873 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977205 722100703 /nfs/dbraw/zinc/10/07/03/722100703.db2.gz FBCNYVLHVSKFNZ-CVEARBPZSA-N 1 0 405.955 2.974 20 0 HFADRO COC(=O)c1c(Cl)ccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984744 722102705 /nfs/dbraw/zinc/10/27/05/722102705.db2.gz UKTGVCLERJOSST-SJLPKXTDSA-N 1 0 416.909 2.644 20 0 HFADRO COc1cccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985184 722106139 /nfs/dbraw/zinc/10/61/39/722106139.db2.gz VGQFSGKPAWTERB-RXVVDRJESA-N 1 0 405.502 2.761 20 0 HFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976308 722108361 /nfs/dbraw/zinc/10/83/61/722108361.db2.gz LENXIFHATMFBTC-KPFFTGBYSA-N 1 0 406.889 2.985 20 0 HFADRO Clc1nc2cnccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979274 722109128 /nfs/dbraw/zinc/10/91/28/722109128.db2.gz PRFXMGAIRQYLNR-VQIMIIECSA-N 1 0 410.909 2.801 20 0 HFADRO CC1(C)OC(=O)c2c1ccnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981149 722111409 /nfs/dbraw/zinc/11/14/09/722111409.db2.gz TXIJHIOKGMIJKR-IEBWSBKVSA-N 1 0 408.502 2.609 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971913 722121314 /nfs/dbraw/zinc/12/13/14/722121314.db2.gz DMYYLVMEFJDACW-JKSUJKDBSA-N 1 0 405.955 2.974 20 0 HFADRO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981987 722125629 /nfs/dbraw/zinc/12/56/29/722125629.db2.gz VLIBYTVZXMBPNS-VQIMIIECSA-N 1 0 410.909 2.801 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164980928 722131875 /nfs/dbraw/zinc/13/18/75/722131875.db2.gz NTRHIARKFIAGTM-SFTDATJTSA-N 1 0 408.550 2.589 20 0 HFADRO Nc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164977084 722136900 /nfs/dbraw/zinc/13/69/00/722136900.db2.gz IRGFRKYUHYXBRT-MAUKXSAKSA-N 1 0 423.895 2.984 20 0 HFADRO Cc1noc(-c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164982674 722144574 /nfs/dbraw/zinc/14/45/74/722144574.db2.gz RYCDOIQDYDIRNZ-UXHICEINSA-N 1 0 406.490 2.562 20 0 HFADRO Cc1noc(-c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164982678 722145216 /nfs/dbraw/zinc/14/52/16/722145216.db2.gz RYCDOIQDYDIRNZ-VQTJNVASSA-N 1 0 406.490 2.562 20 0 HFADRO c1ccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)nc1 ZINC001164980907 722145249 /nfs/dbraw/zinc/14/52/49/722145249.db2.gz NQCZVJLXBRZLPR-DENIHFKCSA-N 1 0 402.502 2.661 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984214 722146893 /nfs/dbraw/zinc/14/68/93/722146893.db2.gz WLDCBTKMNKCRPI-JTHBVZDNSA-N 1 0 416.529 2.969 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3C2)c1 ZINC001164972544 722147987 /nfs/dbraw/zinc/14/79/87/722147987.db2.gz ABIUBDYOBKOPAU-UNMCSNQZSA-N 1 0 402.502 2.661 20 0 HFADRO C[C@@H]1C(=O)Nc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2N1C ZINC001164995984 722200357 /nfs/dbraw/zinc/20/03/57/722200357.db2.gz RBCJPGPJCYDADY-QRQCRPRQSA-N 1 0 410.497 2.637 20 0 HFADRO O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ccc(C[NH+]3CCCC3)cn1)CCO2 ZINC001165000402 722249637 /nfs/dbraw/zinc/24/96/37/722249637.db2.gz HUDXEMAZRWDZIX-QHCPKHFHSA-N 1 0 410.518 2.782 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1COC3(C)C)CCC2 ZINC001165000086 722252205 /nfs/dbraw/zinc/25/22/05/722252205.db2.gz KYXOPXAWWLAGOJ-UHFFFAOYSA-N 1 0 420.945 2.580 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000790495705 1078043588 /nfs/dbraw/zinc/04/35/88/1078043588.db2.gz JNGSBOBNXQFQAM-KRWDZBQOSA-N 1 0 413.440 2.931 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000790496475 1078043727 /nfs/dbraw/zinc/04/37/27/1078043727.db2.gz MFUIKIOTXGCDEP-NRFANRHFSA-N 1 0 408.502 2.968 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000790541165 1078047501 /nfs/dbraw/zinc/04/75/01/1078047501.db2.gz ZWOVODXLFVSBKR-WBVHZDCISA-N 1 0 411.930 2.564 20 0 HFADRO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccc(Cl)cc5)S4(=O)=O)(C2)O3)C1 ZINC001170139442 1078051664 /nfs/dbraw/zinc/05/16/64/1078051664.db2.gz VAMRXPFWHMENFW-CKMGUBGDSA-N 1 0 410.967 2.886 20 0 HFADRO CCNS(=O)(=O)CC[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000790532405 1078052560 /nfs/dbraw/zinc/05/25/60/1078052560.db2.gz CBIQZCKXUIIOOP-UHFFFAOYSA-N 1 0 414.163 2.549 20 0 HFADRO C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793038852 1078053732 /nfs/dbraw/zinc/05/37/32/1078053732.db2.gz JATITCKLANBBDS-UHFFFAOYSA-N 1 0 411.344 2.753 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)Nc2cnc(CC3CC3)nc2)cc1)C1CC[NH+](C)CC1 ZINC000793044071 1078054698 /nfs/dbraw/zinc/05/46/98/1078054698.db2.gz YXOGQZVFGKUQMY-UHFFFAOYSA-N 1 0 422.533 2.537 20 0 HFADRO Cc1ccc(NC(=O)C(=O)Nc2cccc(Cl)n2)cc1NC(=O)CC[NH+](C)C ZINC000793049072 1078056436 /nfs/dbraw/zinc/05/64/36/1078056436.db2.gz AKQGPVFJOHPDBM-UHFFFAOYSA-N 1 0 403.870 2.511 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001170424451 1078058220 /nfs/dbraw/zinc/05/82/20/1078058220.db2.gz KYQDQPOJMASBEM-IBGZPJMESA-N 1 0 416.543 2.911 20 0 HFADRO COc1cccc(C[NH+]2CCC(NC(=O)C3CCC(NC(=O)C4CC4)CC3)CC2)c1 ZINC000793130448 1078073301 /nfs/dbraw/zinc/07/33/01/1078073301.db2.gz WAFBRVJHESVALD-UHFFFAOYSA-N 1 0 413.562 2.861 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000793093631 1078067538 /nfs/dbraw/zinc/06/75/38/1078067538.db2.gz SZBDGQYGJSDHPJ-APWZRJJASA-N 1 0 402.926 2.902 20 0 HFADRO O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)NC1CCN(c2ccccn2)CC1 ZINC000747101195 1078074200 /nfs/dbraw/zinc/07/42/00/1078074200.db2.gz HPMONUNGDKQPIE-QGZVFWFLSA-N 1 0 424.423 2.982 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2)C1=O ZINC000790607480 1078074382 /nfs/dbraw/zinc/07/43/82/1078074382.db2.gz CYPVTOFSHVOLJU-QHCPKHFHSA-N 1 0 416.485 2.986 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3ccccc3-n3cncn3)cc2)C1=O ZINC000790610925 1078074977 /nfs/dbraw/zinc/07/49/77/1078074977.db2.gz PBDKSWQRZXJHES-HSZRJFAPSA-N 1 0 416.485 2.782 20 0 HFADRO CC(=O)N1CCCN(c2ccc(F)cc2NC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000790612192 1078075457 /nfs/dbraw/zinc/07/54/57/1078075457.db2.gz FGWOHHCLXWLGDU-UHFFFAOYSA-N 1 0 421.586 2.513 20 0 HFADRO COC(=O)c1cn(CC[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)nn1 ZINC000790614185 1078076159 /nfs/dbraw/zinc/07/61/59/1078076159.db2.gz NXLUKVRSJYVMBK-UHFFFAOYSA-N 1 0 409.277 2.655 20 0 HFADRO COC(=O)c1cn(CC[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)nn1 ZINC000790614341 1078076205 /nfs/dbraw/zinc/07/62/05/1078076205.db2.gz QFEVEPKGJJNJJB-UHFFFAOYSA-N 1 0 423.304 2.715 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cnn(CCO)c3-c3ccccc3)cc2)CC1 ZINC000793103766 1078078136 /nfs/dbraw/zinc/07/81/36/1078078136.db2.gz UUSLKWMZZYJFSE-UHFFFAOYSA-N 1 0 419.529 2.937 20 0 HFADRO CN1CCN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)C[C@@H]1Cc1ccccc1 ZINC000793107881 1078079928 /nfs/dbraw/zinc/07/99/28/1078079928.db2.gz FEXVWAAWZKXAAC-FQEVSTJZSA-N 1 0 409.534 2.712 20 0 HFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(CCO)Cc2cccnc2Cl)CC1 ZINC000793114562 1078083092 /nfs/dbraw/zinc/08/30/92/1078083092.db2.gz GQOYKNSMAHTVRV-MRXNPFEDSA-N 1 0 417.941 2.860 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153502 1078091708 /nfs/dbraw/zinc/09/17/08/1078091708.db2.gz KDFWXEPFFODHNU-QFBILLFUSA-N 1 0 402.926 2.759 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC000790671926 1078085967 /nfs/dbraw/zinc/08/59/67/1078085967.db2.gz JVIQTYSNVJOKAQ-WMZOPIPTSA-N 1 0 412.550 2.850 20 0 HFADRO COC(=O)[C@H](COCc1ccccc1)Nc1cccc2cc([C@H]3C[NH2+]CCO3)cn21 ZINC001170142019 1078087136 /nfs/dbraw/zinc/08/71/36/1078087136.db2.gz PDEFCJIHOJNKPX-LEWJYISDSA-N 1 0 409.486 2.771 20 0 HFADRO COc1cccc2[nH]cc(CCNC(=O)N3CCN(c4cc[nH+]cc4OC)CC3)c21 ZINC000793151718 1078091253 /nfs/dbraw/zinc/09/12/53/1078091253.db2.gz QECGJGBLQUWPPP-UHFFFAOYSA-N 1 0 409.490 2.654 20 0 HFADRO COC(=O)[C@H](COCc1ccccc1)Nc1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1 ZINC001170142346 1078093040 /nfs/dbraw/zinc/09/30/40/1078093040.db2.gz ONAVODDWHXHYJZ-ZDXQCDESSA-N 1 0 410.514 2.877 20 0 HFADRO COCC1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790710755 1078103734 /nfs/dbraw/zinc/10/37/34/1078103734.db2.gz XVCKEVUSHGAJLV-ROUUACIJSA-N 1 0 424.586 2.576 20 0 HFADRO COCC1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790710759 1078103771 /nfs/dbraw/zinc/10/37/71/1078103771.db2.gz XVCKEVUSHGAJLV-ZWKOTPCHSA-N 1 0 424.586 2.576 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccccn2)CCS(=O)(=O)CC1 ZINC001170428375 1078104954 /nfs/dbraw/zinc/10/49/54/1078104954.db2.gz HIKQVEJJWPOBAN-GOSISDBHSA-N 1 0 416.543 2.911 20 0 HFADRO CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)[C@@H](O)c1ccccc1 ZINC000793238052 1078108108 /nfs/dbraw/zinc/10/81/08/1078108108.db2.gz HVLPKQOJKCDQQV-UXHICEINSA-N 1 0 420.579 2.672 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790770243 1078113390 /nfs/dbraw/zinc/11/33/90/1078113390.db2.gz PWPRSGAEXRXRDW-IKGGRYGDSA-N 1 0 400.539 2.706 20 0 HFADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768559 1078114329 /nfs/dbraw/zinc/11/43/29/1078114329.db2.gz VJVQFLURCSUTEN-KWQFWETISA-N 1 0 403.118 2.819 20 0 HFADRO Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793287853 1078118690 /nfs/dbraw/zinc/11/86/90/1078118690.db2.gz IDCSURCTVBDCPN-UHFFFAOYSA-N 1 0 420.517 2.564 20 0 HFADRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000793287219 1078118704 /nfs/dbraw/zinc/11/87/04/1078118704.db2.gz WUCNOJAFUPQWSK-WTGUMLROSA-N 1 0 409.571 2.639 20 0 HFADRO Cn1nccc1C[C@@H](CNC(=O)OC(C)(C)C)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793323931 1078137500 /nfs/dbraw/zinc/13/75/00/1078137500.db2.gz FLTZUWTUJOYKCA-HNNXBMFYSA-N 1 0 413.478 2.608 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000790817432 1078153660 /nfs/dbraw/zinc/15/36/60/1078153660.db2.gz HQTRLFBXNMAWGW-DENIHFKCSA-N 1 0 408.502 2.793 20 0 HFADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000793359767 1078147225 /nfs/dbraw/zinc/14/72/25/1078147225.db2.gz XEGKJTIXOTXYAO-INIZCTEOSA-N 1 0 418.538 2.659 20 0 HFADRO COc1c[nH+]ccc1N1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000793371798 1078151771 /nfs/dbraw/zinc/15/17/71/1078151771.db2.gz ZBDGZNJBSXWDAL-UHFFFAOYSA-N 1 0 419.529 2.797 20 0 HFADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC(c4cccnc4)=NO3)CC[N@@H+]2C2CC2)c1 ZINC000790857415 1078152499 /nfs/dbraw/zinc/15/24/99/1078152499.db2.gz OSKKGONOTHPVJV-BAGYTPMASA-N 1 0 406.486 2.677 20 0 HFADRO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC(c4cccnc4)=NO3)CC[N@@H+]2C2CC2)c1 ZINC000790857417 1078152574 /nfs/dbraw/zinc/15/25/74/1078152574.db2.gz OSKKGONOTHPVJV-CEMLEFRQSA-N 1 0 406.486 2.677 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793374271 1078152910 /nfs/dbraw/zinc/15/29/10/1078152910.db2.gz LZIOHWNHUZGBNQ-WMTXJRDZSA-N 1 0 409.530 2.830 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000790873268 1078167926 /nfs/dbraw/zinc/16/79/26/1078167926.db2.gz KUPGVUFEISYRDB-UHFFFAOYSA-N 1 0 405.539 2.929 20 0 HFADRO CCOC(=O)c1ccnnc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170145417 1078173872 /nfs/dbraw/zinc/17/38/72/1078173872.db2.gz BJARJPWRNMMYNR-UHFFFAOYSA-N 1 0 405.462 2.563 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001170431980 1078174213 /nfs/dbraw/zinc/17/42/13/1078174213.db2.gz PSGZFQHORWYPDD-GOSISDBHSA-N 1 0 405.539 2.879 20 0 HFADRO CC(C)N1CC[NH+](C2CCN(CN3CC[C@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793510420 1078194785 /nfs/dbraw/zinc/19/47/85/1078194785.db2.gz BURXSNJSUNBBCW-QHCPKHFHSA-N 1 0 412.622 2.916 20 0 HFADRO CC(C)[NH+]1CCC(N2CCN(CN3CC[C@@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793512628 1078195891 /nfs/dbraw/zinc/19/58/91/1078195891.db2.gz VEKSCUDMCOOBGR-HSZRJFAPSA-N 1 0 412.622 2.916 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000793521508 1078198603 /nfs/dbraw/zinc/19/86/03/1078198603.db2.gz YHPZIOLNSYLJJT-XZOQPEGZSA-N 1 0 409.530 2.950 20 0 HFADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H](C)c1cc(C)nn1C)CC2 ZINC000793543033 1078207169 /nfs/dbraw/zinc/20/71/69/1078207169.db2.gz YAKUSMQCQIZEDJ-MRXNPFEDSA-N 1 0 400.523 2.761 20 0 HFADRO C[C@@H](NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C(C)(C)C[NH+](C)C ZINC000793550787 1078208361 /nfs/dbraw/zinc/20/83/61/1078208361.db2.gz ALDACTKHCLQSKB-LZQZEXGQSA-N 1 0 412.534 2.671 20 0 HFADRO CCOC(=O)C1=C(C[NH2+][C@@H]2CCC[C@H]2OC)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001170434307 1078212747 /nfs/dbraw/zinc/21/27/47/1078212747.db2.gz GLLWPOFIPNTPBJ-KYJSFNMBSA-N 1 0 407.898 2.668 20 0 HFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c(Br)c1 ZINC000793587589 1078215953 /nfs/dbraw/zinc/21/59/53/1078215953.db2.gz HVSITLBLTQRGEG-NVXWUHKLSA-N 1 0 422.323 2.915 20 0 HFADRO COCCN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000793605945 1078223147 /nfs/dbraw/zinc/22/31/47/1078223147.db2.gz SPXLCCUIXBFYLG-JOCHJYFZSA-N 1 0 404.555 2.997 20 0 HFADRO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)[C@@H]1c1cncn1C ZINC000793607772 1078224229 /nfs/dbraw/zinc/22/42/29/1078224229.db2.gz AHARJIHFFVEVST-DYESRHJHSA-N 1 0 415.513 2.949 20 0 HFADRO COC(=O)c1ccccc1CC1CC[NH+](CN2CC3(CC2=O)CCOCC3)CC1 ZINC000793607509 1078224351 /nfs/dbraw/zinc/22/43/51/1078224351.db2.gz QUQNMIROPZEVEU-UHFFFAOYSA-N 1 0 400.519 2.714 20 0 HFADRO CN1CCC(CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)([NH+]2CCCCC2)CC1 ZINC000793573880 1078225740 /nfs/dbraw/zinc/22/57/40/1078225740.db2.gz BJJHZDPAFBAZSP-SFHVURJKSA-N 1 0 422.614 2.698 20 0 HFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC1 ZINC000793653465 1078227025 /nfs/dbraw/zinc/22/70/25/1078227025.db2.gz RGKAOVAMSKEVAM-GOSISDBHSA-N 1 0 403.567 2.717 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCSC1 ZINC000793612046 1078227773 /nfs/dbraw/zinc/22/77/73/1078227773.db2.gz IVAMEYGMOPOCGX-SFTDATJTSA-N 1 0 405.564 2.589 20 0 HFADRO COC(=O)[C@]1(NC(=O)C[C@@H]2CCC[C@H](OC)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000793638074 1078237247 /nfs/dbraw/zinc/23/72/47/1078237247.db2.gz VSBZPUGOPYWHQS-QTEQDKRBSA-N 1 0 402.535 2.906 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000793668663 1078246499 /nfs/dbraw/zinc/24/64/99/1078246499.db2.gz YXCSMJYQGUHORH-PMACEKPBSA-N 1 0 423.561 2.602 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000793668668 1078246529 /nfs/dbraw/zinc/24/65/29/1078246529.db2.gz YXCSMJYQGUHORH-WOJBJXKFSA-N 1 0 423.561 2.602 20 0 HFADRO CC(=O)N1C[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)Oc2ccccc21 ZINC000747137196 1078247907 /nfs/dbraw/zinc/24/79/07/1078247907.db2.gz LNCZUVIMDVOKHS-OAQYLSRUSA-N 1 0 411.527 2.988 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793685811 1078256028 /nfs/dbraw/zinc/25/60/28/1078256028.db2.gz CZVLFNNIPFBBET-AYWYSENESA-N 1 0 422.529 2.521 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793685819 1078256053 /nfs/dbraw/zinc/25/60/53/1078256053.db2.gz CZVLFNNIPFBBET-CWJKEVGVSA-N 1 0 422.529 2.521 20 0 HFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793687634 1078256812 /nfs/dbraw/zinc/25/68/12/1078256812.db2.gz PIRBIPGAEURXMC-HOCLYGCPSA-N 1 0 408.568 2.767 20 0 HFADRO Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000793716226 1078263191 /nfs/dbraw/zinc/26/31/91/1078263191.db2.gz ZBGBBUOHZOREOM-MSOLQXFVSA-N 1 0 420.985 2.582 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCCCNC(=O)OCc1ccccc1 ZINC000747144492 1078263491 /nfs/dbraw/zinc/26/34/91/1078263491.db2.gz DQSRISXQCSTZMC-NJYVYQBISA-N 1 0 417.550 2.793 20 0 HFADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793718319 1078263501 /nfs/dbraw/zinc/26/35/01/1078263501.db2.gz ISCGIQWQGYOJAQ-HNNXBMFYSA-N 1 0 410.356 2.707 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)[NH+]1CCCCC1 ZINC000793719416 1078264171 /nfs/dbraw/zinc/26/41/71/1078264171.db2.gz DWMYVOKZBKVOBL-OXQOHEQNSA-N 1 0 414.937 2.931 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000793719398 1078264279 /nfs/dbraw/zinc/26/42/79/1078264279.db2.gz DQYKGOOKYIHVBI-CZUORRHYSA-N 1 0 403.420 2.926 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br)[NH+]1CCCCC1 ZINC000793708983 1078277887 /nfs/dbraw/zinc/27/78/87/1078277887.db2.gz NKYYZIOQLVKFEW-HNNXBMFYSA-N 1 0 424.383 2.834 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[NH+]1CCCCC1 ZINC000793694784 1078271195 /nfs/dbraw/zinc/27/11/95/1078271195.db2.gz BMKXAWILDCMDJV-DLBZAZTESA-N 1 0 414.575 2.993 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793694657 1078271204 /nfs/dbraw/zinc/27/12/04/1078271204.db2.gz MJFSSGJVWOESJO-PZJWPPBQSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793694640 1078271352 /nfs/dbraw/zinc/27/13/52/1078271352.db2.gz MJFSSGJVWOESJO-CTNGQTDRSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000793697867 1078272427 /nfs/dbraw/zinc/27/24/27/1078272427.db2.gz RZKUVOLWBJYARJ-SFHLNBCPSA-N 1 0 409.530 2.739 20 0 HFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C)COc1ccccc1 ZINC000793700874 1078273757 /nfs/dbraw/zinc/27/37/57/1078273757.db2.gz MNQSNRKLPXKBMY-IFMALSPDSA-N 1 0 423.557 2.941 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1)[NH+]1CCCCC1 ZINC000793700927 1078273874 /nfs/dbraw/zinc/27/38/74/1078273874.db2.gz NBAZCIYKTQWQCM-QPIRBTGLSA-N 1 0 416.566 2.646 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1)[NH+]1CCCCC1 ZINC000793703728 1078275364 /nfs/dbraw/zinc/27/53/64/1078275364.db2.gz WLJDASJVGYQAMM-OAHLLOKOSA-N 1 0 411.468 2.844 20 0 HFADRO CC(C)C[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)ccn1 ZINC000793705516 1078276684 /nfs/dbraw/zinc/27/66/84/1078276684.db2.gz DRLVAQQOWOBKFA-QZTJIDSGSA-N 1 0 404.555 2.502 20 0 HFADRO C[NH+]1CCC2(CCCN2C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793760128 1078280051 /nfs/dbraw/zinc/28/00/51/1078280051.db2.gz MITZYTNZTBEHFL-PMACEKPBSA-N 1 0 422.529 2.665 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(CN3C(=O)N[C@](C)(c4ccc(Cl)c(Cl)c4)C3=O)C2)C1 ZINC000793763222 1078281455 /nfs/dbraw/zinc/28/14/55/1078281455.db2.gz DKIPNUVAGSOWTD-MOPGFXCFSA-N 1 0 411.333 2.746 20 0 HFADRO COc1cc(-c2nn(CN3CC[C@]4(CC[N@H+](C)C4)C3)c(=S)o2)cc(OC)c1OC ZINC000793766326 1078282253 /nfs/dbraw/zinc/28/22/53/1078282253.db2.gz KORZLNYDGPIUIS-FQEVSTJZSA-N 1 0 420.535 2.883 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000793736972 1078285465 /nfs/dbraw/zinc/28/54/65/1078285465.db2.gz FYJWLLPEOABGDL-UHFFFAOYSA-N 1 0 422.367 2.713 20 0 HFADRO CN(C)c1ccc(C2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)cc1 ZINC000793737349 1078285674 /nfs/dbraw/zinc/28/56/74/1078285674.db2.gz HGINWJNVLSQCJO-UHFFFAOYSA-N 1 0 414.594 2.838 20 0 HFADRO CCCn1c2nn(CN3CC[C@@]4(CC[N@H+](C)C4)C3)c(=S)n2c2ccccc2c1=O ZINC000793746094 1078289025 /nfs/dbraw/zinc/28/90/25/1078289025.db2.gz PWFMKWOXOOVMDU-OAQYLSRUSA-N 1 0 412.563 2.575 20 0 HFADRO C[C@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000793745813 1078289087 /nfs/dbraw/zinc/28/90/87/1078289087.db2.gz DBEFWTJRFJMLLS-LWYYNNOASA-N 1 0 422.614 2.506 20 0 HFADRO C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793780681 1078292076 /nfs/dbraw/zinc/29/20/76/1078292076.db2.gz DFILEDDVWFTBRD-ZLPCBKJTSA-N 1 0 423.504 2.762 20 0 HFADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000793783605 1078294119 /nfs/dbraw/zinc/29/41/19/1078294119.db2.gz KFBVFGIRPXYBPD-ZCNNSNEGSA-N 1 0 403.592 2.976 20 0 HFADRO C[C@H](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000793805579 1078304371 /nfs/dbraw/zinc/30/43/71/1078304371.db2.gz RQIFLGHSCHOFFF-UIFIKXQLSA-N 1 0 424.545 2.959 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000793796101 1078300519 /nfs/dbraw/zinc/30/05/19/1078300519.db2.gz WTAJUGKWBHVSRA-RTBURBONSA-N 1 0 424.545 2.615 20 0 HFADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793797018 1078300694 /nfs/dbraw/zinc/30/06/94/1078300694.db2.gz XXMLUWAVQYMUFZ-SFHVURJKSA-N 1 0 416.610 2.916 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000793776572 1078308988 /nfs/dbraw/zinc/30/89/88/1078308988.db2.gz CIEIZGXTLLEXMF-PWRODBHTSA-N 1 0 415.578 2.992 20 0 HFADRO C[N@H+](Cc1ccccc1CNC(=O)C(=O)NCCOC1CCC1)C1CCCCC1 ZINC000793838318 1078310861 /nfs/dbraw/zinc/31/08/61/1078310861.db2.gz RVAPMGISUXBWOQ-UHFFFAOYSA-N 1 0 401.551 2.753 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)([NH+](C)C)C1 ZINC000793812189 1078314791 /nfs/dbraw/zinc/31/47/91/1078314791.db2.gz KQTXSXXGFUNUHA-MSQSPTIYSA-N 1 0 421.607 2.789 20 0 HFADRO C[NH+](C)CC1(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CCCC1 ZINC000793814604 1078315878 /nfs/dbraw/zinc/31/58/78/1078315878.db2.gz LNNMAWSXPVVLKS-WOJBJXKFSA-N 1 0 424.545 2.817 20 0 HFADRO C[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793826568 1078318613 /nfs/dbraw/zinc/31/86/13/1078318613.db2.gz RLWICRFTEWXRDV-QGZVFWFLSA-N 1 0 401.551 2.600 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001170437860 1078319207 /nfs/dbraw/zinc/31/92/07/1078319207.db2.gz QKNSYPFGXFYJST-XWQURZDVSA-N 1 0 400.519 2.838 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001170437839 1078319238 /nfs/dbraw/zinc/31/92/38/1078319238.db2.gz PZQNKNSWTVRLDI-NCYKPQTJSA-N 1 0 414.546 2.943 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCc3nc(C)sc32)c1 ZINC000793863202 1078326852 /nfs/dbraw/zinc/32/68/52/1078326852.db2.gz CRPTWPRDFWSLOU-SFHVURJKSA-N 1 0 400.548 2.713 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C1 ZINC000793872289 1078329597 /nfs/dbraw/zinc/32/95/97/1078329597.db2.gz KIBNFIYQXVOEAM-CMKODMSKSA-N 1 0 419.566 2.946 20 0 HFADRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793870659 1078328766 /nfs/dbraw/zinc/32/87/66/1078328766.db2.gz BRWKWOQXMPDLGL-KRWDZBQOSA-N 1 0 402.583 2.526 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000793911386 1078335733 /nfs/dbraw/zinc/33/57/33/1078335733.db2.gz BBAWYBKTHODBLZ-VBQJREDUSA-N 1 0 406.596 2.818 20 0 HFADRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000793950364 1078345033 /nfs/dbraw/zinc/34/50/33/1078345033.db2.gz YOMCOLZBQLSIGZ-SFHVURJKSA-N 1 0 420.517 2.683 20 0 HFADRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000793950359 1078345067 /nfs/dbraw/zinc/34/50/67/1078345067.db2.gz YOMCOLZBQLSIGZ-GOSISDBHSA-N 1 0 420.517 2.683 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000793951932 1078345916 /nfs/dbraw/zinc/34/59/16/1078345916.db2.gz RIWUCSJHUXHKFH-NLWGTHIKSA-N 1 0 407.599 2.572 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001170440300 1078347923 /nfs/dbraw/zinc/34/79/23/1078347923.db2.gz CMFVEFJANLZIKR-XCJLJZCSSA-N 1 0 400.519 2.981 20 0 HFADRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000793965875 1078348881 /nfs/dbraw/zinc/34/88/81/1078348881.db2.gz ISKIAEZLQGDNTN-XXBNENTESA-N 1 0 417.550 2.652 20 0 HFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972810 1078350192 /nfs/dbraw/zinc/35/01/92/1078350192.db2.gz UUGQNZBSPAHHQE-OYRHEFFESA-N 1 0 422.529 2.569 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C1(COC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793939441 1078352494 /nfs/dbraw/zinc/35/24/94/1078352494.db2.gz QORRKBUILSPKBO-UHFFFAOYSA-N 1 0 411.587 2.985 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793940579 1078352627 /nfs/dbraw/zinc/35/26/27/1078352627.db2.gz WASIKHDWGZMDAN-NHCUHLMSSA-N 1 0 424.545 2.913 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000793945648 1078353860 /nfs/dbraw/zinc/35/38/60/1078353860.db2.gz IHMORDQHOVLWAO-GHTZIAJQSA-N 1 0 420.642 2.630 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000793948037 1078355639 /nfs/dbraw/zinc/35/56/39/1078355639.db2.gz JIZWUCFFHBSIQM-AQNXPRMDSA-N 1 0 407.599 2.526 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)ccc1F ZINC000794052003 1078366406 /nfs/dbraw/zinc/36/64/06/1078366406.db2.gz UUAHLZFWPQOAHU-HNNXBMFYSA-N 1 0 406.479 2.684 20 0 HFADRO CN(CC[NH+](C)C)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 ZINC000747172595 1078367888 /nfs/dbraw/zinc/36/78/88/1078367888.db2.gz FCBNJECXLYDQNX-UHFFFAOYSA-N 1 0 408.296 2.952 20 0 HFADRO CC(C)[C@H](CO)[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(C)C ZINC001170443192 1078374219 /nfs/dbraw/zinc/37/42/19/1078374219.db2.gz NCIBACGPVADFIL-UNMCSNQZSA-N 1 0 409.615 2.506 20 0 HFADRO COCC1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000794206165 1078380180 /nfs/dbraw/zinc/38/01/80/1078380180.db2.gz JUNFIGUVIUYMEM-UHFFFAOYSA-N 1 0 409.571 2.783 20 0 HFADRO Cc1ccc(NC(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)cc1N1C(=O)CNC1=O ZINC000794267694 1078397033 /nfs/dbraw/zinc/39/70/33/1078397033.db2.gz VOFIZWOIEVNPDE-YRNVUSSQSA-N 1 0 422.485 2.644 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(CCO)Cc3cccnc3Cl)cc2)CC1 ZINC000794324100 1078413609 /nfs/dbraw/zinc/41/36/09/1078413609.db2.gz MAOPYZCWNKODCD-UHFFFAOYSA-N 1 0 416.953 2.900 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000794340373 1078419832 /nfs/dbraw/zinc/41/98/32/1078419832.db2.gz WETSEDVABUNTAC-UHFFFAOYSA-N 1 0 411.687 2.864 20 0 HFADRO C[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000772845548 1078435146 /nfs/dbraw/zinc/43/51/46/1078435146.db2.gz IQKNJUDMDRXFBE-NIKGAXFTSA-N 1 0 414.377 2.901 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000804373502 1078438065 /nfs/dbraw/zinc/43/80/65/1078438065.db2.gz UNQSTLSEWYBUHG-AYOQOUSVSA-N 1 0 416.541 2.661 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000804374611 1078439292 /nfs/dbraw/zinc/43/92/92/1078439292.db2.gz CCSILXXANQIGSP-ZTFGCOKTSA-N 1 0 403.498 2.793 20 0 HFADRO COc1ccc(CN2CC[NH+](C)CC2)cc1NC1CCN(CC(F)(F)F)CC1 ZINC001170447591 1078449801 /nfs/dbraw/zinc/44/98/01/1078449801.db2.gz GBGXZEJNQIKJPI-UHFFFAOYSA-N 1 0 400.489 2.881 20 0 HFADRO Cc1csc(CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000804395129 1078451502 /nfs/dbraw/zinc/45/15/02/1078451502.db2.gz OHFADXWBAQPGPF-UHFFFAOYSA-N 1 0 406.596 2.804 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000804395997 1078452442 /nfs/dbraw/zinc/45/24/42/1078452442.db2.gz YWPLDDFEAALKEQ-WIVVLVHASA-N 1 0 400.441 2.660 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cccn(CC(F)(F)F)c2=O)c1 ZINC001129437296 1078464125 /nfs/dbraw/zinc/46/41/25/1078464125.db2.gz CAPAHZIZLJJFRI-UHFFFAOYSA-N 1 0 424.423 2.943 20 0 HFADRO COC(=O)COc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC001129799395 1078475377 /nfs/dbraw/zinc/47/53/77/1078475377.db2.gz BGUSADBFNAUJCF-UHFFFAOYSA-N 1 0 402.413 2.727 20 0 HFADRO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170450740 1078479543 /nfs/dbraw/zinc/47/95/43/1078479543.db2.gz GNOABAZWQFZSON-IBGZPJMESA-N 1 0 401.507 2.978 20 0 HFADRO CCc1ccc([C@H](CNC(=O)c2nnn(-c3cnn(C)c3)c2C)[NH+](CC)CC)cc1 ZINC001129458735 1078485204 /nfs/dbraw/zinc/48/52/04/1078485204.db2.gz SXBCGTAURAWBBK-FQEVSTJZSA-N 1 0 409.538 2.685 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000804657777 1078492241 /nfs/dbraw/zinc/49/22/41/1078492241.db2.gz LEJPDQPQXOWPEI-OAQYLSRUSA-N 1 0 417.550 2.584 20 0 HFADRO O=C(N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)c1nccs1 ZINC000804448137 1078514227 /nfs/dbraw/zinc/51/42/27/1078514227.db2.gz LTCMLBDPGUCGMV-QGZVFWFLSA-N 1 0 406.502 2.654 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000804441815 1078507036 /nfs/dbraw/zinc/50/70/36/1078507036.db2.gz JTUZQBDKEUNSLF-UHFFFAOYSA-N 1 0 413.971 2.682 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000804442513 1078509090 /nfs/dbraw/zinc/50/90/90/1078509090.db2.gz ZBOLAWOOYFVCMG-UHFFFAOYSA-N 1 0 413.559 2.803 20 0 HFADRO O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446219 1078512318 /nfs/dbraw/zinc/51/23/18/1078512318.db2.gz BAFYWZKJXUQEBQ-ISKFKSNPSA-N 1 0 418.541 2.923 20 0 HFADRO O=C([C@H](O)c1ccccc1Cl)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447365 1078514138 /nfs/dbraw/zinc/51/41/38/1078514138.db2.gz CZKLVWSCESVXQV-SIKLNZKXSA-N 1 0 413.949 2.792 20 0 HFADRO O=C(C[C@H](O)c1cccc(F)c1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804448953 1078516374 /nfs/dbraw/zinc/51/63/74/1078516374.db2.gz SDYJKJXMLQSNMA-PKTZIBPZSA-N 1 0 411.521 2.668 20 0 HFADRO O=C(C[C@H](O)c1cccc(F)c1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804448951 1078516405 /nfs/dbraw/zinc/51/64/05/1078516405.db2.gz SDYJKJXMLQSNMA-GOTSBHOMSA-N 1 0 411.521 2.668 20 0 HFADRO CCC1([NH2+]CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CCCC1 ZINC001170452165 1078519365 /nfs/dbraw/zinc/51/93/65/1078519365.db2.gz RRYQCBXDQJELDC-FOWTUZBSSA-N 1 0 402.520 2.547 20 0 HFADRO O=C([C@@H]1CSCC(=O)N1)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001129526844 1078519822 /nfs/dbraw/zinc/51/98/22/1078519822.db2.gz CDLPTZTVCXAGKR-LEWJYISDSA-N 1 0 415.603 2.901 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000804696090 1078537669 /nfs/dbraw/zinc/53/76/69/1078537669.db2.gz DZZMKCQBGTUZCW-FXAWDEMLSA-N 1 0 409.530 2.742 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000804695789 1078538065 /nfs/dbraw/zinc/53/80/65/1078538065.db2.gz SWGSXOQJHULNQT-HNNXBMFYSA-N 1 0 402.926 2.939 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCOCC3)o2)c1 ZINC001129548893 1078539814 /nfs/dbraw/zinc/53/98/14/1078539814.db2.gz YUBFGLJMGAYGFN-UHFFFAOYSA-N 1 0 414.506 2.644 20 0 HFADRO CO[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@H]1CCOC1 ZINC001129564804 1078559019 /nfs/dbraw/zinc/55/90/19/1078559019.db2.gz ZRQIGJLIGYWYPC-SNJCGAMXSA-N 1 0 412.505 2.961 20 0 HFADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC001129570970 1078563894 /nfs/dbraw/zinc/56/38/94/1078563894.db2.gz CBCXBENIDKBJFX-RXVVDRJESA-N 1 0 421.545 2.707 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804524145 1078563063 /nfs/dbraw/zinc/56/30/63/1078563063.db2.gz LFHCASNTWBETSD-RCOXNQKVSA-N 1 0 422.529 2.664 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000804524730 1078564440 /nfs/dbraw/zinc/56/44/40/1078564440.db2.gz VEKRXOLXTFGANG-RDJZCZTQSA-N 1 0 415.563 2.718 20 0 HFADRO COc1cccc2c1CC[C@H]2NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000804529201 1078566856 /nfs/dbraw/zinc/56/68/56/1078566856.db2.gz SKYMBMUHWDKBNX-PXDATVDWSA-N 1 0 421.541 2.827 20 0 HFADRO CC(=O)c1ccc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804529582 1078568489 /nfs/dbraw/zinc/56/84/89/1078568489.db2.gz DLABMVQDUVSNGR-LJQANCHMSA-N 1 0 401.532 2.637 20 0 HFADRO CCCn1ncc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1C1CC1 ZINC001129872682 1078569232 /nfs/dbraw/zinc/56/92/32/1078569232.db2.gz MXLWUMOXUJGFHJ-UHFFFAOYSA-N 1 0 423.561 2.798 20 0 HFADRO CCO[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC001129873333 1078570029 /nfs/dbraw/zinc/57/00/29/1078570029.db2.gz ZWHISFCIXSUWHG-QFIPXVFZSA-N 1 0 409.530 2.778 20 0 HFADRO Cc1csc([C@@](O)(CC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C(F)(F)F)n1 ZINC000804532797 1078570277 /nfs/dbraw/zinc/57/02/77/1078570277.db2.gz KKMOTWHOKNVBOU-SFHVURJKSA-N 1 0 413.465 2.934 20 0 HFADRO Cc1cc(N2C[C@H](C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2=O)ccc1Br ZINC001129906042 1078578486 /nfs/dbraw/zinc/57/84/86/1078578486.db2.gz VJUOMIODOIVAGC-ZBFHGGJFSA-N 1 0 408.340 2.663 20 0 HFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2C1 ZINC001129950063 1078625495 /nfs/dbraw/zinc/62/54/95/1078625495.db2.gz CJSPYNOXDXQHIC-KBPBESRZSA-N 1 0 418.563 2.804 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC001129962043 1078635906 /nfs/dbraw/zinc/63/59/06/1078635906.db2.gz MNMIGQMYRORLQG-UHFFFAOYSA-N 1 0 418.582 2.857 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC001129964756 1078638555 /nfs/dbraw/zinc/63/85/55/1078638555.db2.gz XWJFYEMAQOYYRP-MRXNPFEDSA-N 1 0 424.383 2.848 20 0 HFADRO COC[C@]1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000804786095 1078641805 /nfs/dbraw/zinc/64/18/05/1078641805.db2.gz BESMHTGAMKJJQD-XMSQKQJNSA-N 1 0 409.571 2.926 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000804845888 1078652850 /nfs/dbraw/zinc/65/28/50/1078652850.db2.gz QYLWMEBXGIAKST-JTDSTZFVSA-N 1 0 420.554 2.786 20 0 HFADRO COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NCc2cnc3c(C)cccn23)cc1 ZINC000804609465 1078654259 /nfs/dbraw/zinc/65/42/59/1078654259.db2.gz BDRSNLNDLBDJRP-MRXNPFEDSA-N 1 0 410.474 2.563 20 0 HFADRO COc1cnc(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)nc1 ZINC001129695310 1078654346 /nfs/dbraw/zinc/65/43/46/1078654346.db2.gz TYSZJBNZOBMJEI-UHFFFAOYSA-N 1 0 405.296 2.642 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cn1 ZINC000747217012 1078658659 /nfs/dbraw/zinc/65/86/59/1078658659.db2.gz BZEKBPAHSRPDOW-UHFFFAOYSA-N 1 0 414.535 2.605 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000804626799 1078680416 /nfs/dbraw/zinc/68/04/16/1078680416.db2.gz RCFMBTTZSNMUIB-SFHVURJKSA-N 1 0 419.349 2.613 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000804864702 1078689690 /nfs/dbraw/zinc/68/96/90/1078689690.db2.gz NUPFXNYNVRYIAI-LJQANCHMSA-N 1 0 413.440 2.919 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000804643971 1078698816 /nfs/dbraw/zinc/69/88/16/1078698816.db2.gz UXBJSVBQMAWZDD-HLAWJBBLSA-N 1 0 406.530 2.567 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2F)CC1 ZINC000747221059 1078718104 /nfs/dbraw/zinc/71/81/04/1078718104.db2.gz WKNYEKZAWMGWSX-HXUWFJFHSA-N 1 0 412.513 2.754 20 0 HFADRO O=C(NCCS(=O)(=O)C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001129741321 1078712221 /nfs/dbraw/zinc/71/22/21/1078712221.db2.gz PYGKIWOPKJPZLQ-LEWJYISDSA-N 1 0 404.576 2.618 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000804912253 1078734775 /nfs/dbraw/zinc/73/47/75/1078734775.db2.gz SNFVNXAPLXAPSM-MAUKXSAKSA-N 1 0 407.477 2.880 20 0 HFADRO CC(C)[NH2+]C1(CO)CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC001170470144 1078735742 /nfs/dbraw/zinc/73/57/42/1078735742.db2.gz WYZSDLAYRVRVDN-QGZVFWFLSA-N 1 0 400.350 2.924 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000804890360 1078748466 /nfs/dbraw/zinc/74/84/66/1078748466.db2.gz OQASHOAEFCHMBK-HXKWKUIBSA-N 1 0 415.921 2.506 20 0 HFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000804900965 1078757210 /nfs/dbraw/zinc/75/72/10/1078757210.db2.gz AXGYCGYNZCQLQX-VBQJREDUSA-N 1 0 403.445 2.537 20 0 HFADRO C[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804896615 1078752847 /nfs/dbraw/zinc/75/28/47/1078752847.db2.gz RYUOKXLMIMEBSJ-OBJOEFQTSA-N 1 0 406.493 2.783 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804950437 1078778518 /nfs/dbraw/zinc/77/85/18/1078778518.db2.gz BBOOPGOCTWXJMQ-NRKLIOEPSA-N 1 0 420.520 2.841 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000804970716 1078805938 /nfs/dbraw/zinc/80/59/38/1078805938.db2.gz SXNRMOFJQDQJIT-VQIMIIECSA-N 1 0 413.440 2.788 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000805023957 1078834201 /nfs/dbraw/zinc/83/42/01/1078834201.db2.gz DHWYXIWNRXSSQJ-WMZOPIPTSA-N 1 0 420.554 2.824 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000805044810 1078860160 /nfs/dbraw/zinc/86/01/60/1078860160.db2.gz FZIACYDOLHDQTL-KDOFPFPSSA-N 1 0 417.428 2.862 20 0 HFADRO Cc1nc(S(=O)(=O)NC(C)(C)CC[NH+]2CCCCCC2)c(Br)n1C ZINC000805067605 1078877595 /nfs/dbraw/zinc/87/75/95/1078877595.db2.gz WWDUTZHDLXAMCV-UHFFFAOYSA-N 1 0 421.405 2.814 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000805098528 1078885493 /nfs/dbraw/zinc/88/54/93/1078885493.db2.gz IAXZSPQVGRNGSA-RDTXWAMCSA-N 1 0 401.429 2.644 20 0 HFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747231765 1078951073 /nfs/dbraw/zinc/95/10/73/1078951073.db2.gz NNZJWXIYTMIOKQ-YUTCNCBUSA-N 1 0 417.731 2.849 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1F ZINC000747228758 1078951908 /nfs/dbraw/zinc/95/19/08/1078951908.db2.gz LAQOOUKDNFZDAK-PXNSSMCTSA-N 1 0 418.490 2.917 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000805199379 1078952629 /nfs/dbraw/zinc/95/26/29/1078952629.db2.gz ZAHJVUHNXHPXGT-RDPSFJRHSA-N 1 0 406.530 2.568 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000805169303 1078957234 /nfs/dbraw/zinc/95/72/34/1078957234.db2.gz CWLLNHAFEKYUSK-YJBOKZPZSA-N 1 0 408.518 2.955 20 0 HFADRO COC[C@]1(CNC(=O)NCC2([NH+](C)C)CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805178801 1078963957 /nfs/dbraw/zinc/96/39/57/1078963957.db2.gz YTPWWCSMSJOEHT-OAQYLSRUSA-N 1 0 412.575 2.576 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805184543 1078966125 /nfs/dbraw/zinc/96/61/25/1078966125.db2.gz RSINXHSWYZSASD-LEOABGAYSA-N 1 0 406.493 2.594 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000805192132 1078968179 /nfs/dbraw/zinc/96/81/79/1078968179.db2.gz YTLJWMMAPQKJIC-BHIYHBOVSA-N 1 0 409.571 2.518 20 0 HFADRO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001130125064 1078975484 /nfs/dbraw/zinc/97/54/84/1078975484.db2.gz VOMNFIXIJSDSAY-FKVLARQCSA-N 1 0 412.578 2.939 20 0 HFADRO COC(=O)c1cnc([C@@H](C)NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)s1 ZINC001130117224 1078987139 /nfs/dbraw/zinc/98/71/39/1078987139.db2.gz DEUPGOHULMFAHA-JKEYDSJLSA-N 1 0 403.504 2.761 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC000747237954 1078997771 /nfs/dbraw/zinc/99/77/71/1078997771.db2.gz BGZIQRLWOSVKKW-XLNAKTSKSA-N 1 0 414.527 2.598 20 0 HFADRO CC(C)CN1N=C(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CCC1=O ZINC000805276513 1079005590 /nfs/dbraw/zinc/00/55/90/1079005590.db2.gz GURBHQDRHNGIJA-FQEVSTJZSA-N 1 0 402.539 2.827 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000805279936 1079006359 /nfs/dbraw/zinc/00/63/59/1079006359.db2.gz TYAHYWRNUCWECY-UHFFFAOYSA-N 1 0 413.559 2.803 20 0 HFADRO CCN1C(=O)c2ccc(C(=O)N(CC[NH+]3CCCCCC3)C(C)C)cc2S1(=O)=O ZINC000805279412 1079006578 /nfs/dbraw/zinc/00/65/78/1079006578.db2.gz JRLOQPZIPHRQGU-UHFFFAOYSA-N 1 0 421.563 2.578 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1F ZINC000747238926 1079021665 /nfs/dbraw/zinc/02/16/65/1079021665.db2.gz KWKZEDBQISVIMW-LJQANCHMSA-N 1 0 406.479 2.728 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000805331262 1079021701 /nfs/dbraw/zinc/02/17/01/1079021701.db2.gz IWVAOZMNNLMXCL-YJBOKZPZSA-N 1 0 415.563 2.718 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000805332881 1079022760 /nfs/dbraw/zinc/02/27/60/1079022760.db2.gz BWFBOFAIAJHFCX-XJKSGUPXSA-N 1 0 404.312 2.729 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000805333218 1079023416 /nfs/dbraw/zinc/02/34/16/1079023416.db2.gz GPFRHHWONKLQTE-BEFAXECRSA-N 1 0 411.543 2.553 20 0 HFADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@]2(C)CC(C)C)c(=O)[nH]c1=O ZINC001170479552 1079033428 /nfs/dbraw/zinc/03/34/28/1079033428.db2.gz JSLBOXXEUFSVHZ-OAQYLSRUSA-N 1 0 407.559 2.585 20 0 HFADRO COc1ccccc1C(C)(C)CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001626114610 1079034327 /nfs/dbraw/zinc/03/43/27/1079034327.db2.gz LJUMBWQLMZVLLS-QGZVFWFLSA-N 1 0 407.555 2.934 20 0 HFADRO O=S(=O)(/C=C\c1ccc(F)cc1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000747241682 1079056080 /nfs/dbraw/zinc/05/60/80/1079056080.db2.gz DCCHZHYNNKJSED-WQRHYEAKSA-N 1 0 417.550 2.924 20 0 HFADRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001170481618 1079077711 /nfs/dbraw/zinc/07/77/11/1079077711.db2.gz WFTYIQXKQHBXOO-RCCFBDPRSA-N 1 0 400.441 2.869 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000747246887 1079122615 /nfs/dbraw/zinc/12/26/15/1079122615.db2.gz IPYWQLSIBJCVPW-KBPBESRZSA-N 1 0 407.319 2.685 20 0 HFADRO C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)/C=C/c3ccc(F)cc3)cc2)CC1 ZINC000747249152 1079124958 /nfs/dbraw/zinc/12/49/58/1079124958.db2.gz XORINKOOHLKGRJ-XNTDXEJSSA-N 1 0 403.523 2.663 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1 ZINC001130273272 1079168029 /nfs/dbraw/zinc/16/80/29/1079168029.db2.gz PMZRPHBLJLYTML-KCQSEKJDSA-N 1 0 421.541 2.805 20 0 HFADRO O=C(COC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000805634612 1079187522 /nfs/dbraw/zinc/18/75/22/1079187522.db2.gz OFRDVSZFJJSZFY-UHFFFAOYSA-N 1 0 420.416 2.574 20 0 HFADRO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001130300629 1079191652 /nfs/dbraw/zinc/19/16/52/1079191652.db2.gz BXHITWYTXGNIGR-MOPGFXCFSA-N 1 0 407.580 2.819 20 0 HFADRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)NC[C@H]2CSCCS2)CCCC1)c1ccccc1 ZINC000805646821 1079200287 /nfs/dbraw/zinc/20/02/87/1079200287.db2.gz DEBAEPBGYNMPJI-AEFFLSMTSA-N 1 0 421.632 2.731 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ncccc3C(=O)NC(C)(C)C)cc2)CC1 ZINC001170486417 1079208903 /nfs/dbraw/zinc/20/89/03/1079208903.db2.gz JEHOZTYNZPXCEC-WWDZGPRUSA-N 1 0 423.561 2.982 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000805741404 1079243715 /nfs/dbraw/zinc/24/37/15/1079243715.db2.gz DMWJDMDKUUGNOQ-NRFANRHFSA-N 1 0 401.551 2.509 20 0 HFADRO CCOC(=O)c1cc(C)nc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1 ZINC001170487577 1079238847 /nfs/dbraw/zinc/23/88/47/1079238847.db2.gz WKJVYIIWVSRFKU-WWDZGPRUSA-N 1 0 410.518 2.938 20 0 HFADRO C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805790508 1079257077 /nfs/dbraw/zinc/25/70/77/1079257077.db2.gz ATVVYRHTJDONQO-PMACEKPBSA-N 1 0 402.535 2.966 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCO[C@@H]3CCCC[C@H]31)C2 ZINC000805792401 1079257421 /nfs/dbraw/zinc/25/74/21/1079257421.db2.gz BLKBOVHVUKWQFF-PWHSHALESA-N 1 0 421.582 2.879 20 0 HFADRO CS(=O)(=O)c1cccc(NC(=O)CN(CC[NH+]2CCCCCC2)C2CCC2)c1 ZINC000805793669 1079257891 /nfs/dbraw/zinc/25/78/91/1079257891.db2.gz ZVUOIOLSQVVTCG-UHFFFAOYSA-N 1 0 407.580 2.759 20 0 HFADRO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795567 1079259696 /nfs/dbraw/zinc/25/96/96/1079259696.db2.gz PZZPHLKSJAEDFW-VFNWGFHPSA-N 1 0 410.559 2.722 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000805764538 1079264988 /nfs/dbraw/zinc/26/49/88/1079264988.db2.gz CGHSEIRSOXTFRY-HNNXBMFYSA-N 1 0 424.567 2.843 20 0 HFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795035 1079260397 /nfs/dbraw/zinc/26/03/97/1079260397.db2.gz DXPHLGAVOWANNU-IIBYNOLFSA-N 1 0 410.559 2.580 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)C1 ZINC000747268100 1079261255 /nfs/dbraw/zinc/26/12/55/1079261255.db2.gz UANHVYBZVBWAFW-AWEZNQCLSA-N 1 0 400.516 2.791 20 0 HFADRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000805759544 1079261301 /nfs/dbraw/zinc/26/13/01/1079261301.db2.gz VEKDZMLUEIXAPN-VQTJNVASSA-N 1 0 423.985 2.870 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000805762214 1079264140 /nfs/dbraw/zinc/26/41/40/1079264140.db2.gz FOPGYKCRWWPVLJ-RBUKOAKNSA-N 1 0 402.539 2.957 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000805763792 1079266055 /nfs/dbraw/zinc/26/60/55/1079266055.db2.gz PMKZWJMKJNBOQS-IRXDYDNUSA-N 1 0 422.522 2.924 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c(Cl)cc1Cl ZINC000747270583 1079277777 /nfs/dbraw/zinc/27/77/77/1079277777.db2.gz ZJMHGRJYGJSPOE-UHFFFAOYSA-N 1 0 409.335 2.933 20 0 HFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000805825833 1079295679 /nfs/dbraw/zinc/29/56/79/1079295679.db2.gz HUFXCVITDJUJNZ-CYBMUJFWSA-N 1 0 403.552 2.905 20 0 HFADRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC000805821140 1079292856 /nfs/dbraw/zinc/29/28/56/1079292856.db2.gz DVHRRRBAUUILPK-FQEVSTJZSA-N 1 0 415.921 2.796 20 0 HFADRO Ic1cccc(C[C@@H]2CC[N@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)C2)c1 ZINC001170489532 1079293232 /nfs/dbraw/zinc/29/32/32/1079293232.db2.gz FVUFEZHDENDPFV-LAQRGFTBSA-N 1 0 413.299 2.960 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCCc2cc(F)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000805824230 1079294675 /nfs/dbraw/zinc/29/46/75/1079294675.db2.gz ZETXHBYDYCIZBO-HSZRJFAPSA-N 1 0 415.484 2.652 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000747268157 1079294947 /nfs/dbraw/zinc/29/49/47/1079294947.db2.gz ARODJKWBWNLJBI-IXDOJHRFSA-N 1 0 414.527 2.816 20 0 HFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000805827503 1079297507 /nfs/dbraw/zinc/29/75/07/1079297507.db2.gz KXFXCTVMFBGVOV-LSDHHAIUSA-N 1 0 419.291 2.538 20 0 HFADRO COC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000747269110 1079300648 /nfs/dbraw/zinc/30/06/48/1079300648.db2.gz ZXWCYFHDNFGDLN-UHFFFAOYSA-N 1 0 420.531 2.856 20 0 HFADRO COC[C@@]1(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000805858795 1079305260 /nfs/dbraw/zinc/30/52/60/1079305260.db2.gz HRSRGVWQZXMAJA-AVRDEDQJSA-N 1 0 424.586 2.672 20 0 HFADRO CCN1C[C@@H](C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)OC1=O ZINC001170490735 1079317918 /nfs/dbraw/zinc/31/79/18/1079317918.db2.gz ODVSBBAECZVYOU-GOEBONIOSA-N 1 0 414.287 2.996 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1Cl ZINC000747276187 1079340208 /nfs/dbraw/zinc/34/02/08/1079340208.db2.gz DIRVGTBQEUQRGC-WDEREUQCSA-N 1 0 409.335 2.883 20 0 HFADRO CCO[C@@H](C(=O)N[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001130448370 1079349687 /nfs/dbraw/zinc/34/96/87/1079349687.db2.gz RSYKDVYVGHJWDT-NFBKMPQASA-N 1 0 402.535 2.906 20 0 HFADRO CCOC(=O)N1CCC(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000747283612 1079356883 /nfs/dbraw/zinc/35/68/83/1079356883.db2.gz KELUFYURGNQARC-GOSISDBHSA-N 1 0 423.579 2.534 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(CC(=O)N(C)C)cc3)cc2)CC1 ZINC001170493110 1079362637 /nfs/dbraw/zinc/36/26/37/1079362637.db2.gz FZMUJGBHOFQPGY-QHGAOEGBSA-N 1 0 408.546 2.689 20 0 HFADRO C[C@@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001130458983 1079382752 /nfs/dbraw/zinc/38/27/52/1079382752.db2.gz YBQNLIPEXSQRDP-CEXWTWQISA-N 1 0 404.518 2.845 20 0 HFADRO COC(=O)c1cc(OC)cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1 ZINC001170496105 1079395418 /nfs/dbraw/zinc/39/54/18/1079395418.db2.gz KNRBYOHGTZVPCS-KLAILNCOSA-N 1 0 411.502 2.853 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](O)c2cc(OC)ccc2OC)c1 ZINC000747306612 1079435661 /nfs/dbraw/zinc/43/56/61/1079435661.db2.gz KETBMGHGVKIURW-HXUWFJFHSA-N 1 0 401.507 2.688 20 0 HFADRO C[C@H](Sc1ncccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCCC1 ZINC001130518241 1079449489 /nfs/dbraw/zinc/44/94/89/1079449489.db2.gz ISJUOQDEHSZFOW-WDSOQIARSA-N 1 0 416.591 2.931 20 0 HFADRO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519867 1079451524 /nfs/dbraw/zinc/45/15/24/1079451524.db2.gz YLAMMFPOTUSLGT-IAGOWNOFSA-N 1 0 423.579 2.519 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc(=O)n(C)c4ccccc43)cc2)CC1 ZINC001170499004 1079452893 /nfs/dbraw/zinc/45/28/93/1079452893.db2.gz CBQBCFNXSUMNFM-WWDZGPRUSA-N 1 0 404.514 2.910 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@@H+](C)CC(C)C)C2)s1 ZINC001130523647 1079459068 /nfs/dbraw/zinc/45/90/68/1079459068.db2.gz HSMAOYXSBOZANF-KRWDZBQOSA-N 1 0 415.625 2.551 20 0 HFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)C2=O)c(OC)c1 ZINC000806170437 1079461354 /nfs/dbraw/zinc/46/13/54/1079461354.db2.gz SZRFAJRYKJTTLK-UKBAYJJMSA-N 1 0 408.589 2.774 20 0 HFADRO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000806174156 1079463384 /nfs/dbraw/zinc/46/33/84/1079463384.db2.gz RWFULIMOEJQOGP-GOEBONIOSA-N 1 0 411.568 2.890 20 0 HFADRO COc1ccc(OC)c(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130528784 1079465350 /nfs/dbraw/zinc/46/53/50/1079465350.db2.gz PMNKGOXQYLZSOK-FYYLOGMGSA-N 1 0 410.514 2.748 20 0 HFADRO CN(C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806248949 1079501392 /nfs/dbraw/zinc/50/13/92/1079501392.db2.gz PLXKIZUWCRUQGI-SJPCQFCGSA-N 1 0 402.520 2.971 20 0 HFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000787332492 1076745272 /nfs/dbraw/zinc/74/52/72/1076745272.db2.gz LNDJXQIMLBDQKC-ZHALLVOQSA-N 1 0 424.586 2.527 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000787335663 1076747205 /nfs/dbraw/zinc/74/72/05/1076747205.db2.gz MNONPHUCPNJZCY-HXUWFJFHSA-N 1 0 419.566 2.823 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1cccnc1Oc1cccc(F)c1)[NH+]1CCCCC1 ZINC000787300264 1076749182 /nfs/dbraw/zinc/74/91/82/1076749182.db2.gz YREZHOLSIGBJPG-INIZCTEOSA-N 1 0 414.481 2.620 20 0 HFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000746676224 1076750901 /nfs/dbraw/zinc/75/09/01/1076750901.db2.gz IGSXRFKQLVVJAJ-GCJKJVERSA-N 1 0 402.560 2.720 20 0 HFADRO Cc1ccc(C2N=NC(=S)N2CC(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000787337116 1076750929 /nfs/dbraw/zinc/75/09/29/1076750929.db2.gz ZPAIIOCXUORINP-UHFFFAOYSA-N 1 0 409.559 2.963 20 0 HFADRO CS(=O)(=O)N1CCc2cc(C(=O)OCC3CC[NH+](Cc4ccco4)CC3)ccc21 ZINC000772698565 1076756426 /nfs/dbraw/zinc/75/64/26/1076756426.db2.gz MARZNZYKNJWVDZ-UHFFFAOYSA-N 1 0 418.515 2.671 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000787315003 1076759420 /nfs/dbraw/zinc/75/94/20/1076759420.db2.gz VOXJYJOXXHLYGM-OAHLLOKOSA-N 1 0 412.987 2.863 20 0 HFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787316689 1076760296 /nfs/dbraw/zinc/76/02/96/1076760296.db2.gz JWTFXVHWTBYBRJ-JKSUJKDBSA-N 1 0 405.543 2.690 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322282 1076766418 /nfs/dbraw/zinc/76/64/18/1076766418.db2.gz CZESIGJXWQVRAU-KZNAEPCWSA-N 1 0 424.586 2.717 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)n[nH]2)C1 ZINC000787370324 1076777697 /nfs/dbraw/zinc/77/76/97/1076777697.db2.gz PMMHVQYUDQNOJH-CQSZACIVSA-N 1 0 423.477 2.967 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)n[nH]2)C1 ZINC000787379925 1076779568 /nfs/dbraw/zinc/77/95/68/1076779568.db2.gz AKNXLUMPKAWXFB-IRXDYDNUSA-N 1 0 417.554 2.692 20 0 HFADRO C[NH+](C)CC1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787349361 1076790824 /nfs/dbraw/zinc/79/08/24/1076790824.db2.gz JIZRXXVXKFZHNU-MRXNPFEDSA-N 1 0 405.543 2.548 20 0 HFADRO C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000746677669 1076792029 /nfs/dbraw/zinc/79/20/29/1076792029.db2.gz SDGIANYKBAKLEH-HOTGVXAUSA-N 1 0 400.548 2.770 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 ZINC000787353857 1076793646 /nfs/dbraw/zinc/79/36/46/1076793646.db2.gz PVXAFNZPWHNYKE-DEOSSOPVSA-N 1 0 420.513 2.860 20 0 HFADRO C[C@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C(C)(C)C[NH+](C)C ZINC000787387984 1076804299 /nfs/dbraw/zinc/80/42/99/1076804299.db2.gz QKHOJDSIUMMHOR-GJZGRUSLSA-N 1 0 407.559 2.840 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000787393696 1076806320 /nfs/dbraw/zinc/80/63/20/1076806320.db2.gz LXOHTMKOQWUFPR-UHFFFAOYSA-N 1 0 404.461 2.747 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H]3c3ccc(F)c(F)c3)n2)CC1 ZINC000787494016 1076825194 /nfs/dbraw/zinc/82/51/94/1076825194.db2.gz OHRBTLNTTCZWRJ-SFHVURJKSA-N 1 0 417.460 2.730 20 0 HFADRO CCOCc1ccccc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787513558 1076831753 /nfs/dbraw/zinc/83/17/53/1076831753.db2.gz KZLVKCWDRNFFFV-RUZDIDTESA-N 1 0 423.557 2.868 20 0 HFADRO C[C@@H](CNC(=O)C(=O)Nc1cc(-c2ccc(Cl)s2)nn1C)[NH+]1CCCCC1 ZINC000787471699 1076835149 /nfs/dbraw/zinc/83/51/49/1076835149.db2.gz VVTODVOVSLXUPX-LBPRGKRZSA-N 1 0 409.943 2.731 20 0 HFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C[C@H]1C ZINC000787483240 1076840427 /nfs/dbraw/zinc/84/04/27/1076840427.db2.gz PCGCKDANSCBFOA-OWCLPIDISA-N 1 0 405.543 2.689 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529700 1076849633 /nfs/dbraw/zinc/84/96/33/1076849633.db2.gz KJNBZIXGLYTUFY-CVEARBPZSA-N 1 0 405.543 2.737 20 0 HFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529710 1076849694 /nfs/dbraw/zinc/84/96/94/1076849694.db2.gz KJNBZIXGLYTUFY-HZPDHXFCSA-N 1 0 405.543 2.737 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787560272 1076864428 /nfs/dbraw/zinc/86/44/28/1076864428.db2.gz MCZIAFWILOPXOW-OAQYLSRUSA-N 1 0 400.567 2.767 20 0 HFADRO COCOc1ccc(C)cc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170075188 1076867824 /nfs/dbraw/zinc/86/78/24/1076867824.db2.gz VTTXDQAIJCQLPE-UHFFFAOYSA-N 1 0 401.488 2.680 20 0 HFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787575541 1076869739 /nfs/dbraw/zinc/86/97/39/1076869739.db2.gz ZQGMPBLFXYZMCY-RUZDIDTESA-N 1 0 421.541 2.988 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCc4cc(C(C)(C)C)ccc43)n2)CC1 ZINC000787577103 1076869977 /nfs/dbraw/zinc/86/99/77/1076869977.db2.gz VTOVKUDPXCYCDO-UHFFFAOYSA-N 1 0 409.534 2.975 20 0 HFADRO CCOC(=O)c1cccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1C ZINC001170074879 1076873055 /nfs/dbraw/zinc/87/30/55/1076873055.db2.gz LITADFFGPYITNM-UHFFFAOYSA-N 1 0 413.499 2.874 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000787629399 1076883350 /nfs/dbraw/zinc/88/33/50/1076883350.db2.gz ZYIVJFDRLXPOPA-SFHVURJKSA-N 1 0 409.530 2.523 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc4cc(Br)ccc4c3)C[C@H]2C1 ZINC000787598333 1076886892 /nfs/dbraw/zinc/88/68/92/1076886892.db2.gz MAPHCSRGSFETQR-GASCZTMLSA-N 1 0 402.292 2.561 20 0 HFADRO COc1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000787644174 1076894518 /nfs/dbraw/zinc/89/45/18/1076894518.db2.gz IOWXLKUXZJVNGF-UHFFFAOYSA-N 1 0 409.552 2.684 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000746701883 1076906339 /nfs/dbraw/zinc/90/63/39/1076906339.db2.gz KOGDTZDEPGCTOV-KCPJHIHWSA-N 1 0 415.968 2.822 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000787689658 1076913780 /nfs/dbraw/zinc/91/37/80/1076913780.db2.gz MHZVNPJJWQLVOZ-TZYHBYERSA-N 1 0 408.546 2.885 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000787703880 1076919206 /nfs/dbraw/zinc/91/92/06/1076919206.db2.gz DWKVODKOSZDSKF-CVDCTZTESA-N 1 0 417.550 2.641 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCc2ccc(NC(C)=O)cc2)CCN1C(=O)OC(C)(C)C ZINC000787751115 1076926324 /nfs/dbraw/zinc/92/63/24/1076926324.db2.gz JTZHNRSOZCOTNB-RBUKOAKNSA-N 1 0 419.522 2.718 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000787754517 1076927734 /nfs/dbraw/zinc/92/77/34/1076927734.db2.gz AAZRKKVIURQLOK-YHUYYLMFSA-N 1 0 409.493 2.779 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000787765313 1076930907 /nfs/dbraw/zinc/93/09/07/1076930907.db2.gz MJDAGVWEAWCHDG-CPNJWEJPSA-N 1 0 421.607 2.889 20 0 HFADRO C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc(N2CCCC2=O)cc1 ZINC000787730909 1076933802 /nfs/dbraw/zinc/93/38/02/1076933802.db2.gz ORNLRVFMKSVVKJ-ZDUSSCGKSA-N 1 0 407.923 2.965 20 0 HFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787742155 1076938033 /nfs/dbraw/zinc/93/80/33/1076938033.db2.gz ZJTWEXIYTSGCKI-VXKWHMMOSA-N 1 0 421.545 2.622 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CCN1C(=O)OC(C)(C)C ZINC000787767197 1076940987 /nfs/dbraw/zinc/94/09/87/1076940987.db2.gz URPHZIXUGZDTSO-KSVNGYGVSA-N 1 0 414.568 2.572 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CCN1C(=O)OC(C)(C)C ZINC000787767199 1076941024 /nfs/dbraw/zinc/94/10/24/1076941024.db2.gz URPHZIXUGZDTSO-QOIOWGMHSA-N 1 0 414.568 2.572 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 ZINC000787772138 1076942147 /nfs/dbraw/zinc/94/21/47/1076942147.db2.gz YGBLVKUERDCXOJ-GCJKJVERSA-N 1 0 409.571 2.737 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2Cc3cnnn3Cc3ccccc32)cc1 ZINC000787810865 1076951149 /nfs/dbraw/zinc/95/11/49/1076951149.db2.gz CQPVVPBAPHSUOK-XFXZXTDPSA-N 1 0 403.486 2.827 20 0 HFADRO COc1ccc(CC[C@H](C)NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000787874107 1076970554 /nfs/dbraw/zinc/97/05/54/1076970554.db2.gz MEVIRVVGJNMPOT-SFHVURJKSA-N 1 0 411.546 2.853 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000787891235 1076980126 /nfs/dbraw/zinc/98/01/26/1076980126.db2.gz QGTFDNZHZDZWIB-LJQANCHMSA-N 1 0 403.523 2.659 20 0 HFADRO CC(C)CCC[C@H](C)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001170079296 1076986917 /nfs/dbraw/zinc/98/69/17/1076986917.db2.gz BUPRBNMGWVZUNL-ZYSHUDEJSA-N 1 0 406.596 2.565 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787907966 1076990410 /nfs/dbraw/zinc/99/04/10/1076990410.db2.gz BVIJYBFRDONGDN-KDURUIRLSA-N 1 0 402.583 2.633 20 0 HFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000787908080 1076990416 /nfs/dbraw/zinc/99/04/16/1076990416.db2.gz GWXVZNBERCJXJO-UGKGYDQZSA-N 1 0 415.578 2.899 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000787909000 1076991281 /nfs/dbraw/zinc/99/12/81/1076991281.db2.gz HDTSMWAXDVKSHH-SJBKTWHCSA-N 1 0 417.594 2.751 20 0 HFADRO COC(=O)c1cn(C2CC[NH+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)nn1 ZINC000788026700 1077034384 /nfs/dbraw/zinc/03/43/84/1077034384.db2.gz ZFWSCSUKNAGLTF-MRXNPFEDSA-N 1 0 421.542 2.739 20 0 HFADRO CCN(CCNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1C ZINC000788033380 1077035348 /nfs/dbraw/zinc/03/53/48/1077035348.db2.gz DPMXHIUSPMLCIO-UHFFFAOYSA-N 1 0 410.562 2.658 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCc3c(C)cccc3C)CC2)c1 ZINC000788038600 1077036305 /nfs/dbraw/zinc/03/63/05/1077036305.db2.gz DZGYTIHNVFGLGT-UHFFFAOYSA-N 1 0 422.573 2.557 20 0 HFADRO CC[N@H+](C)C[C@@H]1CCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)C1 ZINC000788046310 1077040292 /nfs/dbraw/zinc/04/02/92/1077040292.db2.gz LIOSMWLIIZLENL-NSHDSACASA-N 1 0 414.731 2.863 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000746726687 1077052299 /nfs/dbraw/zinc/05/22/99/1077052299.db2.gz ZMEQPFNGKZFKFF-UHFFFAOYSA-N 1 0 420.554 2.779 20 0 HFADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)NOC[C@H]1CCOC1 ZINC000788088762 1077055426 /nfs/dbraw/zinc/05/54/26/1077055426.db2.gz PKTUCTWPUWZEHK-FQEVSTJZSA-N 1 0 424.545 2.776 20 0 HFADRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC1CCC2(CC1)OCCO2 ZINC000788093781 1077056740 /nfs/dbraw/zinc/05/67/40/1077056740.db2.gz JOVIZPAESSTOIZ-IBGZPJMESA-N 1 0 401.551 2.637 20 0 HFADRO Cc1ccc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1N1CCOC1=O ZINC000746731919 1077073461 /nfs/dbraw/zinc/07/34/61/1077073461.db2.gz ZFYHMTUXKCEXEQ-HSZRJFAPSA-N 1 0 424.501 2.710 20 0 HFADRO COc1cc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cnc1Br ZINC000788230979 1077083866 /nfs/dbraw/zinc/08/38/66/1077083866.db2.gz AXQYUIKOJMBEGM-AWEZNQCLSA-N 1 0 420.311 2.640 20 0 HFADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000788257886 1077088028 /nfs/dbraw/zinc/08/80/28/1077088028.db2.gz OSFXADJKFQJPQD-NEWSRXKRSA-N 1 0 404.555 2.904 20 0 HFADRO C[NH+](C)[C@H](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccccc1 ZINC000788267534 1077093536 /nfs/dbraw/zinc/09/35/36/1077093536.db2.gz UQTUVXGMJNTFMR-XXBNENTESA-N 1 0 408.502 2.654 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cnn(C)c1 ZINC000788308114 1077114857 /nfs/dbraw/zinc/11/48/57/1077114857.db2.gz UTHLXCDNWRRITO-IBGZPJMESA-N 1 0 419.570 2.805 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744758 1077125803 /nfs/dbraw/zinc/12/58/03/1077125803.db2.gz WRAMMJDOOKTCMA-MSOLQXFVSA-N 1 0 400.454 2.784 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744764 1077125855 /nfs/dbraw/zinc/12/58/55/1077125855.db2.gz WRAMMJDOOKTCMA-ZWKOTPCHSA-N 1 0 400.454 2.784 20 0 HFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)C1 ZINC001626111930 1077136383 /nfs/dbraw/zinc/13/63/83/1077136383.db2.gz SWXBEXAJVAACGW-HZPDHXFCSA-N 1 0 405.543 2.704 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H]([NH2+]CCc2cn3c(n2)CCCC3)C2CC2)C1 ZINC000788432067 1077144791 /nfs/dbraw/zinc/14/47/91/1077144791.db2.gz WVCZXMTYMBDASP-QUCCMNQESA-N 1 0 404.555 2.766 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000788481951 1077174902 /nfs/dbraw/zinc/17/49/02/1077174902.db2.gz DPRFWRWSXVARKU-QFIPXVFZSA-N 1 0 407.558 2.856 20 0 HFADRO CC(C)(C)OC(=O)NC1CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788488230 1077177535 /nfs/dbraw/zinc/17/75/35/1077177535.db2.gz NVHNJFXLYNOUAU-UHFFFAOYSA-N 1 0 412.575 2.528 20 0 HFADRO Cn1cc(Br)cc1C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788488714 1077178053 /nfs/dbraw/zinc/17/80/53/1077178053.db2.gz RSZNZJBXZOPYDU-UHFFFAOYSA-N 1 0 415.376 2.772 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCCn2cnc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788503332 1077184390 /nfs/dbraw/zinc/18/43/90/1077184390.db2.gz NBPIYUPMQWSMJZ-PKOBYXMFSA-N 1 0 416.522 2.957 20 0 HFADRO C[C@H]([NH2+]CCN1CCN(c2ccc(F)cc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788507904 1077186311 /nfs/dbraw/zinc/18/63/11/1077186311.db2.gz TUWBOTCFUQINLT-KRWDZBQOSA-N 1 0 406.546 2.793 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000788509568 1077186668 /nfs/dbraw/zinc/18/66/68/1077186668.db2.gz YWIKDWWKLNFBIT-IRXDYDNUSA-N 1 0 422.570 2.866 20 0 HFADRO C[C@@H](O)CCC[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000788523328 1077191138 /nfs/dbraw/zinc/19/11/38/1077191138.db2.gz APRCGPBECJGZPD-GFCCVEGCSA-N 1 0 410.399 2.836 20 0 HFADRO CC(C)CC(=O)N1CCN(C(=O)CCCCC[NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000788589433 1077214750 /nfs/dbraw/zinc/21/47/50/1077214750.db2.gz RIZMAPWGPIHAME-GOSISDBHSA-N 1 0 404.555 2.715 20 0 HFADRO CC[NH+]1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(C)nc3Cl)cc2)CC1 ZINC000788597426 1077218593 /nfs/dbraw/zinc/21/85/93/1077218593.db2.gz QFXKNBSGMFAJLP-UHFFFAOYSA-N 1 0 422.982 2.659 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CCN(Cc4ccccc4)C[C@@H]3CO)C2)C1 ZINC000788601392 1077219154 /nfs/dbraw/zinc/21/91/54/1077219154.db2.gz JGFAKPBRQRPOJB-CTNGQTDRSA-N 1 0 415.578 2.859 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c(C)c1Cl ZINC000788600155 1077219252 /nfs/dbraw/zinc/21/92/52/1077219252.db2.gz SJTHWHBOOIIPKK-NSHDSACASA-N 1 0 408.973 2.897 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000788611918 1077220375 /nfs/dbraw/zinc/22/03/75/1077220375.db2.gz SPSVVMKOHFRVFM-DZGCQCFKSA-N 1 0 414.344 2.988 20 0 HFADRO O=C([C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)Cc1cccc(F)c1)N1CCOCC1 ZINC000788615763 1077229206 /nfs/dbraw/zinc/22/92/06/1077229206.db2.gz YVGIGRLILHZNEY-OJAHFUOMSA-N 1 0 424.607 2.812 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)=NO1 ZINC000788621894 1077232425 /nfs/dbraw/zinc/23/24/25/1077232425.db2.gz YFLLLUXDNQTIMW-GOEBONIOSA-N 1 0 422.551 2.671 20 0 HFADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000788627056 1077234759 /nfs/dbraw/zinc/23/47/59/1077234759.db2.gz LBWJEBYUCNXTOB-CAOSSQGBSA-N 1 0 404.573 2.692 20 0 HFADRO CN(Cc1ncc(Cl)n1C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000790927992 1077236187 /nfs/dbraw/zinc/23/61/87/1077236187.db2.gz VMLVKPXYMBSPDY-UHFFFAOYSA-N 1 0 405.930 2.888 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1Cl ZINC000788636233 1077240322 /nfs/dbraw/zinc/24/03/22/1077240322.db2.gz MYQAKWPFHAIXNX-ZDUSSCGKSA-N 1 0 420.984 2.993 20 0 HFADRO CC(C)[C@@H](CNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000788636632 1077241557 /nfs/dbraw/zinc/24/15/57/1077241557.db2.gz JTOMKBAVXLPMHA-FUHWJXTLSA-N 1 0 410.559 2.529 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000788642178 1077244135 /nfs/dbraw/zinc/24/41/35/1077244135.db2.gz YMZJCZYACKZAQF-LJQANCHMSA-N 1 0 403.523 2.877 20 0 HFADRO CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788685895 1077250813 /nfs/dbraw/zinc/25/08/13/1077250813.db2.gz UQMNBKUIBIQUFD-UXHICEINSA-N 1 0 410.518 2.859 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690156 1077251890 /nfs/dbraw/zinc/25/18/90/1077251890.db2.gz WMCWJRNIVCSCNF-NMLBUPMWSA-N 1 0 417.550 2.963 20 0 HFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3=NO[C@H](CNC(=O)OC(C)(C)C)C3)C2)CC1 ZINC000788656419 1077254510 /nfs/dbraw/zinc/25/45/10/1077254510.db2.gz PIXMIEVFYGCGFP-MSOLQXFVSA-N 1 0 422.570 2.627 20 0 HFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000788658147 1077255344 /nfs/dbraw/zinc/25/53/44/1077255344.db2.gz UDMDYIQLQOXMDW-CVEARBPZSA-N 1 0 411.568 2.767 20 0 HFADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000788660518 1077257716 /nfs/dbraw/zinc/25/77/16/1077257716.db2.gz FCSTZQGPPVYCER-GFCCVEGCSA-N 1 0 405.848 2.913 20 0 HFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000788671088 1077262186 /nfs/dbraw/zinc/26/21/86/1077262186.db2.gz WCLXREJSQDNVDA-LJQANCHMSA-N 1 0 403.500 2.647 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000746758249 1077263556 /nfs/dbraw/zinc/26/35/56/1077263556.db2.gz UYDJXAATRVUIRE-PXNSSMCTSA-N 1 0 418.538 2.847 20 0 HFADRO CON(C)C(=O)c1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)nc1 ZINC001170147340 1077279309 /nfs/dbraw/zinc/27/93/09/1077279309.db2.gz CJBKQGGEXPYHCE-UHFFFAOYSA-N 1 0 419.489 2.625 20 0 HFADRO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)[N@@H+]1CCc2ccccc2C1 ZINC000788730576 1077284161 /nfs/dbraw/zinc/28/41/61/1077284161.db2.gz APAUPROPDZXRKB-AUSIDOKSSA-N 1 0 420.557 2.876 20 0 HFADRO CN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788805582 1077293398 /nfs/dbraw/zinc/29/33/98/1077293398.db2.gz SCGKDWQIARTAJO-OAQYLSRUSA-N 1 0 412.509 2.700 20 0 HFADRO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788807320 1077293906 /nfs/dbraw/zinc/29/39/06/1077293906.db2.gz UBIZQJZEKSGSLW-ABAIWWIYSA-N 1 0 412.328 2.821 20 0 HFADRO CNC(=O)c1ccc(CN(C(=O)NCc2ccccc2OCC[NH+](C)C)C2CC2)cc1 ZINC000746978722 1077298066 /nfs/dbraw/zinc/29/80/66/1077298066.db2.gz KJNCHYIROHMRTN-UHFFFAOYSA-N 1 0 424.545 2.861 20 0 HFADRO CCOC1CC(C[NH2+][C@@H](C)c2nc(Br)ccc2F)(N2CCOCC2)C1 ZINC000788778112 1077298492 /nfs/dbraw/zinc/29/84/92/1077298492.db2.gz XADXYMCXFGCKMZ-VNSJNIRKSA-N 1 0 416.335 2.904 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CCC(=O)NCC(=O)c1ccccc1 ZINC000796653239 1077302447 /nfs/dbraw/zinc/30/24/47/1077302447.db2.gz GGKAHBWVXVOKIQ-LZJOCLMNSA-N 1 0 417.550 2.999 20 0 HFADRO COC(=O)Cc1cc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)ccn1 ZINC001170149223 1077306697 /nfs/dbraw/zinc/30/66/97/1077306697.db2.gz PTELUDCZDVYSMG-UHFFFAOYSA-N 1 0 404.474 2.707 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000788816934 1077307344 /nfs/dbraw/zinc/30/73/44/1077307344.db2.gz WYSXUGLVTLSGIO-VQTJNVASSA-N 1 0 413.562 2.924 20 0 HFADRO C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788821522 1077308451 /nfs/dbraw/zinc/30/84/51/1077308451.db2.gz XNWLKNWAVPZISX-FUHWJXTLSA-N 1 0 403.523 2.511 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000791156692 1077311431 /nfs/dbraw/zinc/31/14/31/1077311431.db2.gz WWOUOQXYABTSGP-UQNNOOFXSA-N 1 0 410.514 2.947 20 0 HFADRO CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746766681 1077312058 /nfs/dbraw/zinc/31/20/58/1077312058.db2.gz PPKOKZYLYZOLGI-LJQANCHMSA-N 1 0 424.586 2.671 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000788851081 1077320089 /nfs/dbraw/zinc/32/00/89/1077320089.db2.gz SKASYAWTXVXUFX-YLJYHZDGSA-N 1 0 418.538 2.702 20 0 HFADRO CC(=O)NCc1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)nc1 ZINC001170149632 1077320494 /nfs/dbraw/zinc/32/04/94/1077320494.db2.gz HOZPMDSQWGGVMZ-UHFFFAOYSA-N 1 0 403.490 2.627 20 0 HFADRO Cc1c(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)sc1S(N)(=O)=O ZINC000791197516 1077321065 /nfs/dbraw/zinc/32/10/65/1077321065.db2.gz QQLGJCRFHRWTJW-LBPRGKRZSA-N 1 0 419.931 2.529 20 0 HFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788925176 1077337982 /nfs/dbraw/zinc/33/79/82/1077337982.db2.gz CULINJIGOYHMPW-LPHOPBHVSA-N 1 0 414.550 2.980 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cnc(F)c(C(=O)N(C)C)c3)nc3ccc(C)cc3n12 ZINC001170150560 1077342375 /nfs/dbraw/zinc/34/23/75/1077342375.db2.gz YNWQDEDTMXMQER-UHFFFAOYSA-N 1 0 421.480 2.832 20 0 HFADRO Cc1c(Cl)c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)sc1S(N)(=O)=O ZINC000791210137 1077345579 /nfs/dbraw/zinc/34/55/79/1077345579.db2.gz VHCMJCRYTVTEBM-JTQLQIEISA-N 1 0 407.989 2.598 20 0 HFADRO O=S(=O)(C1=Cc2ccccc2OC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000788904520 1077346646 /nfs/dbraw/zinc/34/66/46/1077346646.db2.gz DRNRTMRLXHFPIJ-UHFFFAOYSA-N 1 0 406.548 2.574 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000788911426 1077350104 /nfs/dbraw/zinc/35/01/04/1077350104.db2.gz DDBMLPJBEPXRAY-RYUDHWBXSA-N 1 0 423.348 2.996 20 0 HFADRO Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[NH+](C)C ZINC000788914586 1077351816 /nfs/dbraw/zinc/35/18/16/1077351816.db2.gz CYLOSRUOWCNCOS-OXJNMPFZSA-N 1 0 417.531 2.921 20 0 HFADRO C[NH+]1CCN(c2ccccc2-c2noc(-c3cncc(Br)n3)n2)CC1 ZINC001212599566 1077374720 /nfs/dbraw/zinc/37/47/20/1077374720.db2.gz AGCOXNHDRNXLAB-UHFFFAOYSA-N 1 0 401.268 2.708 20 0 HFADRO C[NH+]1CCN(Cc2cccc(NC(=O)Cc3cccnc3Br)c2)CC1 ZINC000791334164 1077377352 /nfs/dbraw/zinc/37/73/52/1077377352.db2.gz VVQARHICXCLMNU-UHFFFAOYSA-N 1 0 403.324 2.773 20 0 HFADRO COc1ccc([C@H](CNC(=O)COC(=O)c2cccnc2F)[NH+]2CCCCC2)cc1 ZINC000789003762 1077378127 /nfs/dbraw/zinc/37/81/27/1077378127.db2.gz SFIVPELVUCYZNG-IBGZPJMESA-N 1 0 415.465 2.730 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)cc1N1CCOC1=O ZINC000746781857 1077381977 /nfs/dbraw/zinc/38/19/77/1077381977.db2.gz MGVCUXZVCSRUID-UHFFFAOYSA-N 1 0 416.522 2.518 20 0 HFADRO CCCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000747000862 1077382985 /nfs/dbraw/zinc/38/29/85/1077382985.db2.gz GWTVLDFZILPPBA-UHFFFAOYSA-N 1 0 412.509 2.955 20 0 HFADRO CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000746787380 1077424625 /nfs/dbraw/zinc/42/46/25/1077424625.db2.gz CDEMOHAEVKTISD-UHFFFAOYSA-N 1 0 418.538 2.639 20 0 HFADRO CC(C)[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H](O)c1ccccc1 ZINC000789174580 1077443808 /nfs/dbraw/zinc/44/38/08/1077443808.db2.gz HCNFDFIPKIZNAU-VJBWXMMDSA-N 1 0 411.546 2.811 20 0 HFADRO CC(C)[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H](O)c1ccccc1 ZINC000789174573 1077443855 /nfs/dbraw/zinc/44/38/55/1077443855.db2.gz HCNFDFIPKIZNAU-RJGXRXQPSA-N 1 0 411.546 2.811 20 0 HFADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)ccc1F ZINC000746788747 1077444275 /nfs/dbraw/zinc/44/42/75/1077444275.db2.gz WYJDDISHADXJLK-UHFFFAOYSA-N 1 0 408.474 2.523 20 0 HFADRO C[C@@H](OC(=O)c1n[nH]c2c1CCCCC2)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789178462 1077446066 /nfs/dbraw/zinc/44/60/66/1077446066.db2.gz WZHKHZKBBVUGDO-SJLPKXTDSA-N 1 0 410.518 2.615 20 0 HFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3ccnn3C3CCCC3)C2)CC1 ZINC000746792628 1077456856 /nfs/dbraw/zinc/45/68/56/1077456856.db2.gz GJWVUWGSFMQMTC-GOSISDBHSA-N 1 0 401.555 2.907 20 0 HFADRO Cc1cc(C)n(CC[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600180 1077484416 /nfs/dbraw/zinc/48/44/16/1077484416.db2.gz FERZENZSDQSILN-RBKMHILSSA-N 1 0 420.557 2.508 20 0 HFADRO Cn1cc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c(-c2ccc(Cl)s2)n1 ZINC000789295120 1077503248 /nfs/dbraw/zinc/50/32/48/1077503248.db2.gz HNOJIELQBLKNQL-UHFFFAOYSA-N 1 0 422.938 2.702 20 0 HFADRO Cc1ncsc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600194 1077505462 /nfs/dbraw/zinc/50/54/62/1077505462.db2.gz GFRWGLXLDKCPGX-OSFNYYGPSA-N 1 0 409.555 2.959 20 0 HFADRO COc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)ccn1 ZINC001086600532 1077506819 /nfs/dbraw/zinc/50/68/19/1077506819.db2.gz YYFPDXRYHBWAQZ-CJIGKZKRSA-N 1 0 419.525 2.598 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](C[C@@H](O)CC3CCCC3)C2)CC1 ZINC000789309782 1077509160 /nfs/dbraw/zinc/50/91/60/1077509160.db2.gz LPCPUXLKDVOANV-PMACEKPBSA-N 1 0 423.598 2.719 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000789312220 1077510607 /nfs/dbraw/zinc/51/06/07/1077510607.db2.gz OMMOGJWXCCQLTQ-RBUKOAKNSA-N 1 0 407.942 2.996 20 0 HFADRO Cn1cc(N2CCC[C@@H]([NH+]3CCC(COc4ccc(Cl)nc4)CC3)C2=O)cn1 ZINC000789316070 1077511619 /nfs/dbraw/zinc/51/16/19/1077511619.db2.gz WUBTVWQCWNVHMR-GOSISDBHSA-N 1 0 403.914 2.755 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000789358120 1077515416 /nfs/dbraw/zinc/51/54/16/1077515416.db2.gz PSUGQZUWHHCNII-LAUBAEHRSA-N 1 0 415.563 2.682 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000789358121 1077515832 /nfs/dbraw/zinc/51/58/32/1077515832.db2.gz PSUGQZUWHHCNII-UTKZUKDTSA-N 1 0 415.563 2.682 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H]([NH+]3CCC(CNC(=O)c4cnn(C)c4)CC3)C2=O)c(C)c1 ZINC000789327034 1077520837 /nfs/dbraw/zinc/52/08/37/1077520837.db2.gz PFQYULJBRWDMDF-OAQYLSRUSA-N 1 0 423.561 2.593 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000791691138 1077529973 /nfs/dbraw/zinc/52/99/73/1077529973.db2.gz UWEAMZCOOZSKJV-JOCHJYFZSA-N 1 0 424.501 2.625 20 0 HFADRO COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)c2cccc(CC[NH+](C)C)c2)cc1 ZINC001170102931 1077530272 /nfs/dbraw/zinc/53/02/72/1077530272.db2.gz XEISWGSONSCIEZ-UHFFFAOYSA-N 1 0 421.501 2.705 20 0 HFADRO COC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)[C@@H]1CCCO1 ZINC000789384157 1077530536 /nfs/dbraw/zinc/53/05/36/1077530536.db2.gz UUYNWYIHJRRISU-SFTDATJTSA-N 1 0 411.502 2.969 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)Nc2cccc(Cl)c2)[n+]2cccc(CO)c2)n1 ZINC000789395048 1077536489 /nfs/dbraw/zinc/53/64/89/1077536489.db2.gz VTDUJIBZMXGLJK-UHFFFAOYSA-O 1 0 402.887 2.572 20 0 HFADRO CCc1cc[n+](C(C(=O)c2cccc(S(C)(=O)=O)c2)C(=S)NC2CC2)cc1 ZINC000789395565 1077536680 /nfs/dbraw/zinc/53/66/80/1077536680.db2.gz WBTVVNJABQIKBM-UHFFFAOYSA-O 1 0 403.549 2.903 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)c2)CC1 ZINC000791715587 1077536701 /nfs/dbraw/zinc/53/67/01/1077536701.db2.gz RNJVHEULLBNOJN-JOCHJYFZSA-N 1 0 408.502 2.969 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000789372685 1077543492 /nfs/dbraw/zinc/54/34/92/1077543492.db2.gz XJQFANRFGJBAJH-UHFFFAOYSA-N 1 0 400.910 2.935 20 0 HFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746802820 1077544217 /nfs/dbraw/zinc/54/42/17/1077544217.db2.gz CXXLMQUIOULTIX-CQSZACIVSA-N 1 0 420.560 2.570 20 0 HFADRO Cc1cc(C)cc(N2CC[C@@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)C2=O)c1 ZINC000791777071 1077549008 /nfs/dbraw/zinc/54/90/08/1077549008.db2.gz HJAVEBCRPYPEMG-OAQYLSRUSA-N 1 0 401.551 2.616 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)[N@H+](C)Cc1ccccc1 ZINC000746809442 1077549198 /nfs/dbraw/zinc/54/91/98/1077549198.db2.gz JXUDGGYCPWISPU-KRWDZBQOSA-N 1 0 423.492 2.977 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000791792676 1077559759 /nfs/dbraw/zinc/55/97/59/1077559759.db2.gz HGCOJVXRVNGUGV-UHFFFAOYSA-N 1 0 422.591 2.976 20 0 HFADRO CCCCOc1ccc(C(=O)C(C(=S)NCC(N)=O)[n+]2cccc(C)c2)cc1 ZINC000789402210 1077560890 /nfs/dbraw/zinc/56/08/90/1077560890.db2.gz ISRHEVMLZCEXFA-UHFFFAOYSA-O 1 0 400.524 2.748 20 0 HFADRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@H]2CCOc3ccccc32)cc1 ZINC000789402268 1077561207 /nfs/dbraw/zinc/56/12/07/1077561207.db2.gz JNZFEEOHMWMPBC-KRWDZBQOSA-O 1 0 422.534 2.990 20 0 HFADRO CCCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2ccc(OC)nc2)cc1 ZINC000789404886 1077562022 /nfs/dbraw/zinc/56/20/22/1077562022.db2.gz PJAYDVUIFORUOD-UHFFFAOYSA-O 1 0 411.511 2.782 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791821753 1077562145 /nfs/dbraw/zinc/56/21/45/1077562145.db2.gz DHBOGDCSUWYIKE-FDDCHVKYSA-N 1 0 423.513 2.835 20 0 HFADRO COC(=O)c1n[nH]c2ccc(NC(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000791823820 1077574665 /nfs/dbraw/zinc/57/46/65/1077574665.db2.gz NQCKTVHCARCCJN-CALCHBBNSA-N 1 0 419.485 2.945 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000791827088 1077575841 /nfs/dbraw/zinc/57/58/41/1077575841.db2.gz WWPLLWGDVHYFRX-OAQYLSRUSA-N 1 0 404.514 2.803 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)C(=O)Nc3ccc(Cl)nc3C)CCCC2)CC1 ZINC000789481556 1077587598 /nfs/dbraw/zinc/58/75/98/1077587598.db2.gz NFMCLGHEEIUMMW-UHFFFAOYSA-N 1 0 408.930 2.522 20 0 HFADRO O=C(C1=NN(c2ccccc2)C(=O)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791939735 1077600954 /nfs/dbraw/zinc/60/09/54/1077600954.db2.gz QZZFYXDLAIDBPO-BGYRXZFFSA-N 1 0 402.498 2.760 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000791913852 1077608623 /nfs/dbraw/zinc/60/86/23/1077608623.db2.gz XGWHZBUPZOKNFP-CTNGQTDRSA-N 1 0 421.969 2.819 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cccc(COC3CCOCC3)c2)CC1 ZINC000792033698 1077639638 /nfs/dbraw/zinc/63/96/38/1077639638.db2.gz DOWPDLRQXHVSHZ-UHFFFAOYSA-N 1 0 404.551 2.955 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000792003848 1077644967 /nfs/dbraw/zinc/64/49/67/1077644967.db2.gz AZPITDWXZCGLOF-QGZVFWFLSA-N 1 0 419.570 2.991 20 0 HFADRO C[C@@]1(c2ccc(Br)cc2)CC(=O)N(C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789563772 1077682932 /nfs/dbraw/zinc/68/29/32/1077682932.db2.gz GIKXQPDFTXORJQ-VQTJNVASSA-N 1 0 421.335 2.926 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000792076919 1077684249 /nfs/dbraw/zinc/68/42/49/1077684249.db2.gz SREBXRBIPNTXLR-QGZVFWFLSA-N 1 0 412.575 2.576 20 0 HFADRO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792036820 1077687609 /nfs/dbraw/zinc/68/76/09/1077687609.db2.gz YCWLVLUETXIEOU-HOTGVXAUSA-N 1 0 406.527 2.587 20 0 HFADRO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)CC2)c1 ZINC000792078080 1077691452 /nfs/dbraw/zinc/69/14/52/1077691452.db2.gz ZRSQLRZNSNJJJB-QHCPKHFHSA-N 1 0 423.513 2.978 20 0 HFADRO O=C(NCc1nc(Cc2ccccc2)no1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792049679 1077693739 /nfs/dbraw/zinc/69/37/39/1077693739.db2.gz QUHYJEWNJAOPNM-OYRHEFFESA-N 1 0 417.513 2.934 20 0 HFADRO CCc1nc(CONC(=[NH2+])[C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)cc2)no1 ZINC000789631422 1077710078 /nfs/dbraw/zinc/71/00/78/1077710078.db2.gz GTZKHMAXOUJJEF-INIZCTEOSA-N 1 0 405.455 2.905 20 0 HFADRO COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=[NH2+])NOCC(=O)c2cccn2C)cc1 ZINC000789633937 1077712767 /nfs/dbraw/zinc/71/27/67/1077712767.db2.gz UBEQCLGRCZTQJZ-GOSISDBHSA-N 1 0 416.478 2.981 20 0 HFADRO C[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)CNC(=O)OC(C)(C)C ZINC000792142751 1077720622 /nfs/dbraw/zinc/72/06/22/1077720622.db2.gz KTSFWDSHPSGGHE-IEBWSBKVSA-N 1 0 404.555 2.969 20 0 HFADRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C1 ZINC000792145477 1077722011 /nfs/dbraw/zinc/72/20/11/1077722011.db2.gz OCCNNBDQWUBCMF-OALUTQOASA-N 1 0 423.529 2.661 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789658252 1077722564 /nfs/dbraw/zinc/72/25/64/1077722564.db2.gz CUUVCFPAYXMFOI-PKTZIBPZSA-N 1 0 423.557 2.658 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792182998 1077737711 /nfs/dbraw/zinc/73/77/11/1077737711.db2.gz KRQUGZOWKCIJJX-OAQYLSRUSA-N 1 0 417.550 2.604 20 0 HFADRO CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000792230645 1077754018 /nfs/dbraw/zinc/75/40/18/1077754018.db2.gz NQKGUPJIQGEXDR-PKTZIBPZSA-N 1 0 420.557 2.951 20 0 HFADRO C[C@@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCOC2=O)cc1 ZINC000792278379 1077772669 /nfs/dbraw/zinc/77/26/69/1077772669.db2.gz YWPBLRNCTLBICO-QGZVFWFLSA-N 1 0 417.531 2.756 20 0 HFADRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001170119661 1077774741 /nfs/dbraw/zinc/77/47/41/1077774741.db2.gz WPYMDZTUCPQBSF-ZWKOTPCHSA-N 1 0 405.612 2.821 20 0 HFADRO CCc1csc(NC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)n1 ZINC000789751357 1077782665 /nfs/dbraw/zinc/78/26/65/1077782665.db2.gz BFZINMGVQARRIU-UHFFFAOYSA-N 1 0 401.536 2.813 20 0 HFADRO C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260966 1077784329 /nfs/dbraw/zinc/78/43/29/1077784329.db2.gz RDRGMCXVRUCMDQ-FHWLQOOXSA-N 1 0 404.551 2.744 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000789756324 1077787019 /nfs/dbraw/zinc/78/70/19/1077787019.db2.gz AUQVHXGNXGJPMJ-UHFFFAOYSA-N 1 0 415.925 2.542 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)C2)c1 ZINC000792272376 1077788545 /nfs/dbraw/zinc/78/85/45/1077788545.db2.gz MPUYVUDKLKNXKM-KSFYIVLOSA-N 1 0 408.502 2.925 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(Cl)nc2C)c1 ZINC000789779918 1077789490 /nfs/dbraw/zinc/78/94/90/1077789490.db2.gz RNLMDCMFPUDUBE-UHFFFAOYSA-N 1 0 404.898 2.581 20 0 HFADRO Cc1cc(C[NH+](C)C)cc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792275382 1077790275 /nfs/dbraw/zinc/79/02/75/1077790275.db2.gz GMUWCMMKSVUZIW-UHFFFAOYSA-N 1 0 404.555 2.938 20 0 HFADRO CSC1(CNC(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CCC1 ZINC000789785441 1077793660 /nfs/dbraw/zinc/79/36/60/1077793660.db2.gz YWBOJSHUAOPSSS-UHFFFAOYSA-N 1 0 404.580 2.557 20 0 HFADRO COc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792369781 1077818534 /nfs/dbraw/zinc/81/85/34/1077818534.db2.gz UMHQETIKVYCSCV-MRXNPFEDSA-N 1 0 401.894 2.925 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000789809244 1077819970 /nfs/dbraw/zinc/81/99/70/1077819970.db2.gz LDXLIROPMMWWTP-LEWJYISDSA-N 1 0 410.493 2.578 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000792330620 1077821438 /nfs/dbraw/zinc/82/14/38/1077821438.db2.gz DXGSPGCEGGRCCE-MOPGFXCFSA-N 1 0 412.571 2.656 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cc2)CC1 ZINC000789811649 1077821710 /nfs/dbraw/zinc/82/17/10/1077821710.db2.gz WOLVRYNEPVEPSL-LEWJYISDSA-N 1 0 410.493 2.578 20 0 HFADRO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332932 1077822040 /nfs/dbraw/zinc/82/20/40/1077822040.db2.gz IQCQGHPTJOWSTH-QZTJIDSGSA-N 1 0 409.571 2.783 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000792332798 1077822132 /nfs/dbraw/zinc/82/21/32/1077822132.db2.gz WUVJBYNAEPYBIM-QGZVFWFLSA-N 1 0 400.585 2.924 20 0 HFADRO O=C(CN1CCC(Oc2ccc(F)nc2)CC1)NCCc1cnn(-c2ccccc2)c1 ZINC000792386180 1077830181 /nfs/dbraw/zinc/83/01/81/1077830181.db2.gz RLYWNGIGVSNANY-UHFFFAOYSA-N 1 0 423.492 2.609 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](CCS(C)(=O)=O)c3ccccc3)cc2)CC1 ZINC000789874778 1077831878 /nfs/dbraw/zinc/83/18/78/1077831878.db2.gz LSKZKJBNZUBQKJ-NRFANRHFSA-N 1 0 415.559 2.595 20 0 HFADRO COc1cc(Br)cnc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170165809 1077832750 /nfs/dbraw/zinc/83/27/50/1077832750.db2.gz HXUXXXFIJTVOSL-UHFFFAOYSA-N 1 0 406.284 2.721 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccnn2C2CCCC2)c1 ZINC000792401571 1077836282 /nfs/dbraw/zinc/83/62/82/1077836282.db2.gz YGPSSRMYVBZBHP-UHFFFAOYSA-N 1 0 413.522 2.536 20 0 HFADRO C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)NC(=O)OC(C)(C)C ZINC000792379733 1077844559 /nfs/dbraw/zinc/84/45/59/1077844559.db2.gz HLPZVTJTXVZNQS-INIZCTEOSA-N 1 0 418.538 2.640 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000792425288 1077851147 /nfs/dbraw/zinc/85/11/47/1077851147.db2.gz NZRKQNJWUYKNAP-ICSRJNTNSA-N 1 0 424.520 2.969 20 0 HFADRO C[C@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000792462154 1077858244 /nfs/dbraw/zinc/85/82/44/1077858244.db2.gz CYQWOGNWFIVGTP-KRWDZBQOSA-N 1 0 418.607 2.757 20 0 HFADRO Cc1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c(CN2CCOCC2)c1 ZINC001170167475 1077866200 /nfs/dbraw/zinc/86/62/00/1077866200.db2.gz IZFPJDZVDDPDJZ-UHFFFAOYSA-N 1 0 409.534 2.695 20 0 HFADRO CC[C@H](C)n1ncc(NC(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480340 1077876440 /nfs/dbraw/zinc/87/64/40/1077876440.db2.gz AHWPTSSZKIXAJG-HOCLYGCPSA-N 1 0 408.547 2.835 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000789974956 1077878765 /nfs/dbraw/zinc/87/87/65/1077878765.db2.gz LNOAQHIYUBALPA-RDJZCZTQSA-N 1 0 418.538 2.902 20 0 HFADRO C[C@H](CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792515233 1077882158 /nfs/dbraw/zinc/88/21/58/1077882158.db2.gz FWOSVYHCXNORNM-GOSISDBHSA-N 1 0 404.555 2.618 20 0 HFADRO COC(=O)c1ccc2ncc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cc2c1 ZINC001170167510 1077883755 /nfs/dbraw/zinc/88/37/55/1077883755.db2.gz LDHXHSBCHJUNTF-UHFFFAOYSA-N 1 0 405.458 2.890 20 0 HFADRO COc1cc(Br)cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)n1 ZINC001170168817 1077890128 /nfs/dbraw/zinc/89/01/28/1077890128.db2.gz VOVAOYNEPRDGFK-UHFFFAOYSA-N 1 0 406.284 2.721 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)CCO1 ZINC001170213169 1077908635 /nfs/dbraw/zinc/90/86/35/1077908635.db2.gz HHBZYVGBKBZINT-ZWKOTPCHSA-N 1 0 408.564 2.739 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CCO1 ZINC001170215984 1077909287 /nfs/dbraw/zinc/90/92/87/1077909287.db2.gz GDBYNRWLPMIBPZ-SPOLIRPYSA-N 1 0 402.568 2.662 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001170218968 1077910324 /nfs/dbraw/zinc/91/03/24/1077910324.db2.gz XLDSGSSXUCYXHR-IRXDYDNUSA-N 1 0 401.548 2.595 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)cc1 ZINC000790019588 1077915537 /nfs/dbraw/zinc/91/55/37/1077915537.db2.gz CCVLTLWETCIYSO-UHFFFAOYSA-N 1 0 411.568 2.864 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)C[NH2+][C@@H]3CC[C@H](C)C3)ccc12 ZINC001170124845 1077918676 /nfs/dbraw/zinc/91/86/76/1077918676.db2.gz IFEODLQHAIIYAB-GMBSWORKSA-N 1 0 411.502 2.809 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)c3ccc4c[nH+]cn4c3)cc2)C[C@H](C)O1 ZINC000792574257 1077918912 /nfs/dbraw/zinc/91/89/12/1077918912.db2.gz ZZGUQQOOBRHHNX-IYBDPMFKSA-N 1 0 408.458 2.743 20 0 HFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790027942 1077919158 /nfs/dbraw/zinc/91/91/58/1077919158.db2.gz WHLUGQTZXATBFO-QAPCUYQASA-N 1 0 411.568 2.672 20 0 HFADRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2cncn2C)cc1 ZINC001170268995 1077923251 /nfs/dbraw/zinc/92/32/51/1077923251.db2.gz HHFBXCZGDBEEEK-UHFFFAOYSA-N 1 0 401.467 2.699 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccnnc3)[C@H]2C1 ZINC001170272109 1077925279 /nfs/dbraw/zinc/92/52/79/1077925279.db2.gz GMLWIYWVHXFSJC-LDBRAYGESA-N 1 0 414.937 2.828 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc(C(=O)Nc3ccccn3)cc2Cl)O1 ZINC001170279370 1077935486 /nfs/dbraw/zinc/93/54/86/1077935486.db2.gz WVAXIJWMLXJEGD-CLCXKQKWSA-N 1 0 405.886 2.519 20 0 HFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000746872192 1077936247 /nfs/dbraw/zinc/93/62/47/1077936247.db2.gz UPYRHORVUYZGNU-UHFFFAOYSA-N 1 0 413.971 2.775 20 0 HFADRO Cc1nc(NC(=O)c2ccc(F)cc2)ccc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170281981 1077937218 /nfs/dbraw/zinc/93/72/18/1077937218.db2.gz IQMMIOIZXRCKLA-DBXWQHBBSA-N 1 0 402.470 2.918 20 0 HFADRO C[C@@]1(c2cccnc2N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)NC(=O)NC1=O ZINC001170330658 1077945034 /nfs/dbraw/zinc/94/50/34/1077945034.db2.gz FLCWSVJABPXCKW-OVCNXMPXSA-N 1 0 405.502 2.744 20 0 HFADRO Cc1ccc(NC(=O)c2nnc(CN3CCC(CO)([NH2+]CC(C)C)CC3)s2)cc1 ZINC001170365601 1077950916 /nfs/dbraw/zinc/95/09/16/1077950916.db2.gz QDNKBHHKWCCNIT-UHFFFAOYSA-N 1 0 417.579 2.671 20 0 HFADRO C[C@H](CNC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)[NH+]1CCCCC1 ZINC000746884156 1077956527 /nfs/dbraw/zinc/95/65/27/1077956527.db2.gz DQDAAIUXSAYKFZ-CQSZACIVSA-N 1 0 402.520 2.634 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000772817513 1077956598 /nfs/dbraw/zinc/95/65/98/1077956598.db2.gz WWNFTZRNQDTEEH-OAQYLSRUSA-N 1 0 411.502 2.733 20 0 HFADRO C[C@@H](C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000790125468 1077959103 /nfs/dbraw/zinc/95/91/03/1077959103.db2.gz WBIGVHQXAPZVHA-FQEVSTJZSA-N 1 0 409.578 2.882 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001170405482 1077965900 /nfs/dbraw/zinc/96/59/00/1077965900.db2.gz XMQOJFIKHASKGC-NRFANRHFSA-N 1 0 413.493 2.894 20 0 HFADRO CCOC(=O)c1nc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)sc1C ZINC001170405933 1077966141 /nfs/dbraw/zinc/96/61/41/1077966141.db2.gz VGUJLVGYIHWNGC-UHFFFAOYSA-N 1 0 402.520 2.628 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2nc(Cc3ccccc3)no2)c1 ZINC000790193768 1077967529 /nfs/dbraw/zinc/96/75/29/1077967529.db2.gz LXFQCEAWCPZCHO-UHFFFAOYSA-N 1 0 423.517 2.942 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000790183119 1077973226 /nfs/dbraw/zinc/97/32/26/1077973226.db2.gz FDXAOBBTFYPXMC-ZIAGYGMSSA-N 1 0 401.429 2.611 20 0 HFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790229451 1077980970 /nfs/dbraw/zinc/98/09/70/1077980970.db2.gz ZVUZIPWZBKOFIO-UHFFFAOYSA-N 1 0 413.497 2.833 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3cc(OC)cs3)cc2)CC1 ZINC000747085246 1077983245 /nfs/dbraw/zinc/98/32/45/1077983245.db2.gz XQRFYAAUGFHDSX-UHFFFAOYSA-N 1 0 403.504 2.694 20 0 HFADRO C[C@@H]1C[NH+](CCCNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000792790773 1077992408 /nfs/dbraw/zinc/99/24/08/1077992408.db2.gz DBIHWLMHVGDZRX-QZTJIDSGSA-N 1 0 424.586 2.742 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)NCCC[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000792793665 1077993716 /nfs/dbraw/zinc/99/37/16/1077993716.db2.gz SOLCSEIIWAYNHP-FQEVSTJZSA-N 1 0 402.539 2.820 20 0 HFADRO CC[NH+]1CCC(NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CC1 ZINC000792795800 1077994419 /nfs/dbraw/zinc/99/44/19/1077994419.db2.gz VQMOEZBSFXGNGR-IBGZPJMESA-N 1 0 402.539 2.819 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CCS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000790312797 1077994505 /nfs/dbraw/zinc/99/45/05/1077994505.db2.gz UEQPZGITMZNADE-LJQANCHMSA-N 1 0 400.516 2.882 20 0 HFADRO Cc1ccc(CCC[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cn1 ZINC000792796791 1077994624 /nfs/dbraw/zinc/99/46/24/1077994624.db2.gz CVPSOWNJMNCEBY-LJQANCHMSA-N 1 0 404.555 2.676 20 0 HFADRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N(CCO)Cc1cccnc1Cl ZINC000792810576 1078001280 /nfs/dbraw/zinc/00/12/80/1078001280.db2.gz HASPRGYVIHACEA-UHFFFAOYSA-N 1 0 416.953 2.946 20 0 HFADRO C[NH+](C)CC(C)(C)CNC(=S)N(CCO)Cc1ccc(Br)s1 ZINC000790355622 1078002967 /nfs/dbraw/zinc/00/29/67/1078002967.db2.gz MWAXCMXNCVGRTF-UHFFFAOYSA-N 1 0 408.431 2.767 20 0 HFADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1nnnn1C1CC1 ZINC000790358036 1078003361 /nfs/dbraw/zinc/00/33/61/1078003361.db2.gz GQKLNMOZCLSYEE-DOMZBBRYSA-N 1 0 423.443 2.662 20 0 HFADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792863806 1078011172 /nfs/dbraw/zinc/01/11/72/1078011172.db2.gz SAHNNFLSSDJABJ-LJQANCHMSA-N 1 0 402.926 2.904 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1)OCc1ccccc1 ZINC000792871994 1078012213 /nfs/dbraw/zinc/01/22/13/1078012213.db2.gz MEQHWJXWVHRWAR-HBMCJLEFSA-N 1 0 414.550 2.961 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1)OCc1ccccc1 ZINC000792852678 1078014862 /nfs/dbraw/zinc/01/48/62/1078014862.db2.gz CHHBOUOEUWSLKQ-PWRODBHTSA-N 1 0 414.550 2.961 20 0 HFADRO COc1ccc([C@@H]2CCCN2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c(OC)c1 ZINC000790367847 1078015564 /nfs/dbraw/zinc/01/55/64/1078015564.db2.gz LYHZATJEOJNNJF-SIKLNZKXSA-N 1 0 401.507 2.715 20 0 HFADRO COc1ccc([C@H]2CCCN2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c(OC)c1 ZINC000790367835 1078015631 /nfs/dbraw/zinc/01/56/31/1078015631.db2.gz LYHZATJEOJNNJF-DENIHFKCSA-N 1 0 401.507 2.715 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000790372785 1078017241 /nfs/dbraw/zinc/01/72/41/1078017241.db2.gz BXWIMVIDBSZZIF-FCHUYYIVSA-N 1 0 411.550 2.633 20 0 HFADRO CC(C)CNC(=O)c1ccccc1NC(=O)CN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000792938748 1078022026 /nfs/dbraw/zinc/02/20/26/1078022026.db2.gz CPYIDESXELQEID-NRFANRHFSA-N 1 0 422.573 2.870 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000792942318 1078022534 /nfs/dbraw/zinc/02/25/34/1078022534.db2.gz ZFRJCXQECZUYSO-SXWKCWPCSA-N 1 0 404.551 2.986 20 0 HFADRO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000792943764 1078023168 /nfs/dbraw/zinc/02/31/68/1078023168.db2.gz UEPDLVSBKKALSL-HYBUGGRVSA-N 1 0 422.573 2.709 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792913206 1078024057 /nfs/dbraw/zinc/02/40/57/1078024057.db2.gz MIRVOMKOVPFHBJ-CVEARBPZSA-N 1 0 407.363 2.831 20 0 HFADRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1OC ZINC000792931170 1078028144 /nfs/dbraw/zinc/02/81/44/1078028144.db2.gz GWPAXHKJTCLCMK-DLBZAZTESA-N 1 0 406.548 2.905 20 0 HFADRO Cc1ccc(S(=O)(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(Cl)n1 ZINC000790436894 1078030332 /nfs/dbraw/zinc/03/03/32/1078030332.db2.gz BAWYPWMZALWMHB-UHFFFAOYSA-N 1 0 409.939 2.995 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+](C[C@@H](C)C(=O)OC)C3CC3)c2ccc1Br ZINC000790440693 1078032225 /nfs/dbraw/zinc/03/22/25/1078032225.db2.gz VIYVJSRZGCQQNF-LLVKDONJSA-N 1 0 424.295 2.816 20 0 HFADRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792952399 1078033770 /nfs/dbraw/zinc/03/37/70/1078033770.db2.gz HQZUEPZMVQXSEG-KBPBESRZSA-N 1 0 411.344 2.657 20 0 HFADRO COc1ccc(Br)c(C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1 ZINC000792956916 1078035311 /nfs/dbraw/zinc/03/53/11/1078035311.db2.gz ADPBLJJIKCNRAF-ZDUSSCGKSA-N 1 0 403.317 2.823 20 0 HFADRO COC[C@@]1(C)CC(=O)N(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000790452882 1078035962 /nfs/dbraw/zinc/03/59/62/1078035962.db2.gz RDRVDUFGDPHYJV-NRFANRHFSA-N 1 0 409.571 2.942 20 0 HFADRO Cc1ccc([C@H](CNC(=O)N(CCO)Cc2cccnc2Cl)[NH+]2CCCC2)o1 ZINC000792960466 1078036151 /nfs/dbraw/zinc/03/61/51/1078036151.db2.gz OMYVYOFFAWHORA-KRWDZBQOSA-N 1 0 406.914 2.977 20 0 HFADRO COc1ccc(OC)c([C@H](O)C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)c1 ZINC000790457025 1078037108 /nfs/dbraw/zinc/03/71/08/1078037108.db2.gz DWSHZTFZVLBOHO-AMHTUMDSSA-N 1 0 401.503 2.779 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792968102 1078038416 /nfs/dbraw/zinc/03/84/16/1078038416.db2.gz GFZHXKSOPRKRCK-CHWSQXEVSA-N 1 0 411.344 2.655 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000790469746 1078038644 /nfs/dbraw/zinc/03/86/44/1078038644.db2.gz AUNGOHGLQHVMJB-SFHVURJKSA-N 1 0 406.527 2.560 20 0 HFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792968104 1078038588 /nfs/dbraw/zinc/03/85/88/1078038588.db2.gz GFZHXKSOPRKRCK-STQMWFEESA-N 1 0 411.344 2.655 20 0 HFADRO CN(C(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000790470817 1078038912 /nfs/dbraw/zinc/03/89/12/1078038912.db2.gz IRVSYWYJKKETRS-IBGZPJMESA-N 1 0 402.516 2.551 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(Br)n2)c1 ZINC000792983466 1078040245 /nfs/dbraw/zinc/04/02/45/1078040245.db2.gz UNKNKRQDUIUKIX-UHFFFAOYSA-N 1 0 419.323 2.859 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)nc1Br ZINC000792986114 1078041268 /nfs/dbraw/zinc/04/12/68/1078041268.db2.gz CAVMDVAIBCEEBB-CQSZACIVSA-N 1 0 409.328 2.568 20 0 HFADRO COCCN1CC2(CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)COc2ccccc2S1(=O)=O ZINC001170137208 1078041466 /nfs/dbraw/zinc/04/14/66/1078041466.db2.gz NCYKMEQQLBDQLY-RTBURBONSA-N 1 0 422.591 2.987 20 0 HFADRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)Nc2cccc(Cl)n2)CCOCC1)c1ccccc1 ZINC000792990788 1078042397 /nfs/dbraw/zinc/04/23/97/1078042397.db2.gz YCTQHAQKXOIBGR-OAHLLOKOSA-N 1 0 416.909 2.690 20 0 HFADRO O=C(NC[C@@H]1CC1(Cl)Cl)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000747310897 1079509365 /nfs/dbraw/zinc/50/93/65/1079509365.db2.gz AWDJBHBHBMGCGS-AWEZNQCLSA-N 1 0 416.374 2.526 20 0 HFADRO CN(CC[NH3+])CCNc1cnc(OCc2ccccc2)nc1OCc1ccccc1 ZINC001170502421 1079514436 /nfs/dbraw/zinc/51/44/36/1079514436.db2.gz WBZNPPDBQSMARM-UHFFFAOYSA-N 1 0 407.518 2.937 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000806261553 1079527252 /nfs/dbraw/zinc/52/72/52/1079527252.db2.gz LIZGTVKGBBFCKV-SFHVURJKSA-N 1 0 417.428 2.976 20 0 HFADRO COc1cccc(Cl)c1CNC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000806266839 1079530294 /nfs/dbraw/zinc/53/02/94/1079530294.db2.gz IUFXZBVCSSYHIL-UHFFFAOYSA-N 1 0 417.937 2.598 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)CCC2 ZINC000806298674 1079549579 /nfs/dbraw/zinc/54/95/79/1079549579.db2.gz MTFGEYNANIJFDH-FQEVSTJZSA-N 1 0 411.550 2.678 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1 ZINC000806299463 1079551750 /nfs/dbraw/zinc/55/17/50/1079551750.db2.gz CLFYSJAOSQHTMJ-WOJBJXKFSA-N 1 0 415.534 2.902 20 0 HFADRO CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21)[NH+]1CCCC1 ZINC000806302971 1079554676 /nfs/dbraw/zinc/55/46/76/1079554676.db2.gz JDXBOSJSSWBYTL-WOJBJXKFSA-N 1 0 417.598 2.974 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 ZINC000806307472 1079559667 /nfs/dbraw/zinc/55/96/67/1079559667.db2.gz PXIUKQVFCAWROC-OAQYLSRUSA-N 1 0 420.558 2.700 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000806308922 1079561267 /nfs/dbraw/zinc/56/12/67/1079561267.db2.gz ZHBOMVCHYWFEAF-LJQANCHMSA-N 1 0 400.479 2.976 20 0 HFADRO Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001130586771 1079562528 /nfs/dbraw/zinc/56/25/28/1079562528.db2.gz UNHXACYWRRJZGA-KURKYZTESA-N 1 0 407.580 2.723 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000806292576 1079580576 /nfs/dbraw/zinc/58/05/76/1079580576.db2.gz FHXKHWUFQDNUGT-AZUAARDMSA-N 1 0 418.538 2.752 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000806318904 1079589753 /nfs/dbraw/zinc/58/97/53/1079589753.db2.gz DPZBFCFNCJDBHQ-NRFANRHFSA-N 1 0 420.558 2.700 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)(C)C ZINC000806321353 1079593548 /nfs/dbraw/zinc/59/35/48/1079593548.db2.gz UGVJVYRINHDVEF-AABGKKOBSA-N 1 0 409.615 2.982 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000806328487 1079601289 /nfs/dbraw/zinc/60/12/89/1079601289.db2.gz GMDMOOXAXMIQTM-PMACEKPBSA-N 1 0 421.969 2.603 20 0 HFADRO [NH3+]CCOCCOCCNc1ccc2[nH]cc(C3=CCC4(CC3)OCCO4)c2c1 ZINC001170506918 1079621935 /nfs/dbraw/zinc/62/19/35/1079621935.db2.gz FGORMDPOJDGSNY-UHFFFAOYSA-N 1 0 401.507 2.882 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000806376318 1079626094 /nfs/dbraw/zinc/62/60/94/1079626094.db2.gz NTTPSLSPFWWVCD-LJQANCHMSA-N 1 0 420.554 2.826 20 0 HFADRO C[C@@]1(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001130609280 1079628249 /nfs/dbraw/zinc/62/82/49/1079628249.db2.gz DZGXAXCJPNVNKF-XMMPIXPASA-N 1 0 405.498 2.730 20 0 HFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)NCc1ccc(Br)cc1F)C(C)(C)C ZINC000806390016 1079641002 /nfs/dbraw/zinc/64/10/02/1079641002.db2.gz DHUCRQPQAFIFHC-OAHLLOKOSA-N 1 0 416.335 2.687 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000806360239 1079647236 /nfs/dbraw/zinc/64/72/36/1079647236.db2.gz AFHYQJBXSMNLHM-GOTSBHOMSA-N 1 0 416.610 2.722 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000806371031 1079658079 /nfs/dbraw/zinc/65/80/79/1079658079.db2.gz DRRNXPJSTMTXME-FQEVSTJZSA-N 1 0 417.554 2.745 20 0 HFADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)cc1 ZINC000806422552 1079667266 /nfs/dbraw/zinc/66/72/66/1079667266.db2.gz VWZXEFZVAYXSSV-INIZCTEOSA-N 1 0 401.429 2.899 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000806394368 1079683287 /nfs/dbraw/zinc/68/32/87/1079683287.db2.gz LMCRHHIWWVHFHL-FQEVSTJZSA-N 1 0 402.539 2.697 20 0 HFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2ccon2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000806398913 1079686602 /nfs/dbraw/zinc/68/66/02/1079686602.db2.gz XWOATVOGELGTRT-YOEHRIQHSA-N 1 0 424.423 2.509 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000806404113 1079691434 /nfs/dbraw/zinc/69/14/34/1079691434.db2.gz AIBMROUSOHHDOI-WOJBJXKFSA-N 1 0 424.586 2.531 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000806407040 1079694256 /nfs/dbraw/zinc/69/42/56/1079694256.db2.gz YMRIAMVHAUHZOW-AABGKKOBSA-N 1 0 424.586 2.720 20 0 HFADRO C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473479 1079704574 /nfs/dbraw/zinc/70/45/74/1079704574.db2.gz RBDLNGAOFFPUKB-IFXJQAMLSA-N 1 0 422.526 2.860 20 0 HFADRO COc1cccc(-c2cc(C(F)(F)F)c(NCCOCCOCC[NH3+])nn2)c1 ZINC001170508624 1079705059 /nfs/dbraw/zinc/70/50/59/1079705059.db2.gz VPYKTWBGGYFDBR-UHFFFAOYSA-N 1 0 400.401 2.575 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)NC(=O)OC(C)(C)C ZINC000806460742 1079733994 /nfs/dbraw/zinc/73/39/94/1079733994.db2.gz MGXMAIXLMXXXNM-SFHVURJKSA-N 1 0 418.538 2.751 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000806480294 1079765068 /nfs/dbraw/zinc/76/50/68/1079765068.db2.gz HDPBLOOHXDDPOW-QFBILLFUSA-N 1 0 418.563 2.601 20 0 HFADRO CN1CCN(C(=O)NCc2nc(Cc3ccccc3)no2)C[C@@H]1Cc1ccccc1 ZINC000806547477 1079785040 /nfs/dbraw/zinc/78/50/40/1079785040.db2.gz IMVALDXXIBDNCX-FQEVSTJZSA-N 1 0 405.502 2.729 20 0 HFADRO COC(=O)N1CCC(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000806533801 1079806889 /nfs/dbraw/zinc/80/68/89/1079806889.db2.gz IFOGNTSQEJTVJU-IBGZPJMESA-N 1 0 406.527 2.607 20 0 HFADRO COC(=O)[C@]1(NC(=O)[C@H](OC)c2ccc(F)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130661480 1079808670 /nfs/dbraw/zinc/80/86/70/1079808670.db2.gz YZOXISQOPZTFOS-OFNKIYASSA-N 1 0 414.477 2.837 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806595046 1079836956 /nfs/dbraw/zinc/83/69/56/1079836956.db2.gz MJDNXHVJSDDQGB-UHFFFAOYSA-N 1 0 423.344 2.638 20 0 HFADRO CS[C@@H]1CN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C[C@H]1[NH+](C)C ZINC000772847534 1079861083 /nfs/dbraw/zinc/86/10/83/1079861083.db2.gz TXAMPWSCOADFMG-QZTJIDSGSA-N 1 0 419.591 2.553 20 0 HFADRO Cc1cccn2cc(COc3ccc(C(=O)NC[C@@H]4C[N@@H+]5CCC[C@@H]5CO4)cc3)nc12 ZINC000747341895 1079876199 /nfs/dbraw/zinc/87/61/99/1079876199.db2.gz IPBLNLHOYOFCHO-IFMALSPDSA-N 1 0 420.513 2.815 20 0 HFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679588 1079908949 /nfs/dbraw/zinc/90/89/49/1079908949.db2.gz DIAINYLXLAJBCX-GOEBONIOSA-N 1 0 419.740 2.945 20 0 HFADRO C[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806722470 1079946198 /nfs/dbraw/zinc/94/61/98/1079946198.db2.gz YUABEWXTSXALTG-OTWHNJEPSA-N 1 0 422.614 2.506 20 0 HFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729078 1079953490 /nfs/dbraw/zinc/95/34/90/1079953490.db2.gz JAPGORNEBCHPDM-LJQANCHMSA-N 1 0 423.557 2.653 20 0 HFADRO Cc1cc2c(cc1C)N(C(=O)NCCCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000806735280 1079961008 /nfs/dbraw/zinc/96/10/08/1079961008.db2.gz WTQPRTCGXGVLPQ-UHFFFAOYSA-N 1 0 408.550 2.768 20 0 HFADRO O=C(c1ccnc(OCC(F)F)c1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733729 1079973796 /nfs/dbraw/zinc/97/37/96/1079973796.db2.gz XOHFBCQTULDIKB-RBUKOAKNSA-N 1 0 417.456 2.841 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000806740968 1079995987 /nfs/dbraw/zinc/99/59/87/1079995987.db2.gz VXHLEHIXEMTXRO-HSZRJFAPSA-N 1 0 411.546 2.739 20 0 HFADRO COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)C1 ZINC001130742354 1080006281 /nfs/dbraw/zinc/00/62/81/1080006281.db2.gz TULNEVXBVBSCSL-MOPGFXCFSA-N 1 0 417.550 2.621 20 0 HFADRO Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(OCCCN2CC[NH+](C)CC2)cc1 ZINC001130742448 1080006572 /nfs/dbraw/zinc/00/65/72/1080006572.db2.gz XWMHZTBOFUFVEI-UHFFFAOYSA-N 1 0 411.550 2.956 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000806849177 1080034172 /nfs/dbraw/zinc/03/41/72/1080034172.db2.gz BFEALQOTSUAVSG-UHFFFAOYSA-N 1 0 413.493 2.772 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)Cc1ccccc1 ZINC000806837451 1080049934 /nfs/dbraw/zinc/04/99/34/1080049934.db2.gz XUJAJAVTVFUKQE-OAQYLSRUSA-N 1 0 411.546 2.922 20 0 HFADRO O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000806838126 1080051112 /nfs/dbraw/zinc/05/11/12/1080051112.db2.gz QAMDSBMUHVOTCZ-VQTJNVASSA-N 1 0 424.586 2.722 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F)[NH+]1CCCCC1 ZINC000806856710 1080060492 /nfs/dbraw/zinc/06/04/92/1080060492.db2.gz JNCRTYMXBRHSBR-KGLIPLIRSA-N 1 0 401.429 2.945 20 0 HFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000806872236 1080073490 /nfs/dbraw/zinc/07/34/90/1080073490.db2.gz HJDSPWCMYXUKGG-UHFFFAOYSA-N 1 0 415.401 2.786 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000806917377 1080087283 /nfs/dbraw/zinc/08/72/83/1080087283.db2.gz RMOBYBUDFQQNEV-HOJAQTOUSA-N 1 0 402.539 2.817 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)NCC(C)(C)[NH+]3CCC(OC)CC3)ccc2c1 ZINC000806892015 1080099371 /nfs/dbraw/zinc/09/93/71/1080099371.db2.gz WKMJRVDBYDZOMY-UHFFFAOYSA-N 1 0 413.518 2.793 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000806904232 1080110319 /nfs/dbraw/zinc/11/03/19/1080110319.db2.gz XNNDMKPSYMPHSD-IBGZPJMESA-N 1 0 412.575 2.575 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000806944988 1080155128 /nfs/dbraw/zinc/15/51/28/1080155128.db2.gz GKXNROVAVGPLEJ-UHFFFAOYSA-N 1 0 420.554 2.674 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000806953913 1080163773 /nfs/dbraw/zinc/16/37/73/1080163773.db2.gz AJRKDXWXVQYFNV-ULQDDVLXSA-N 1 0 400.539 2.850 20 0 HFADRO C[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806980817 1080189687 /nfs/dbraw/zinc/18/96/87/1080189687.db2.gz VTFHXXYYCVETIR-QGZVFWFLSA-N 1 0 409.571 2.593 20 0 HFADRO COC(=O)c1c(C)csc1NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000807006124 1080205744 /nfs/dbraw/zinc/20/57/44/1080205744.db2.gz ITARXPNYCXTJNX-UHFFFAOYSA-N 1 0 403.504 2.502 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000807050773 1080234194 /nfs/dbraw/zinc/23/41/94/1080234194.db2.gz BBOAZUHSXQAOIE-FRYIKTPZSA-N 1 0 403.592 2.661 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000807055028 1080237521 /nfs/dbraw/zinc/23/75/21/1080237521.db2.gz KEYHTPPHNPZRDE-PGRDOPGGSA-N 1 0 403.592 2.759 20 0 HFADRO CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000807071699 1080254252 /nfs/dbraw/zinc/25/42/52/1080254252.db2.gz ADCZAPWEBIYXBQ-HTAPYJJXSA-N 1 0 418.969 2.850 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000807077284 1080258789 /nfs/dbraw/zinc/25/87/89/1080258789.db2.gz FPMLDSGBYZUDQL-DXWLRKQOSA-N 1 0 405.539 2.919 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000807089580 1080267753 /nfs/dbraw/zinc/26/77/53/1080267753.db2.gz IAOBDMFORPXAFL-FCHUYYIVSA-N 1 0 413.562 2.747 20 0 HFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807089283 1080268948 /nfs/dbraw/zinc/26/89/48/1080268948.db2.gz YBJKHWOHMUMMCQ-OAQYLSRUSA-N 1 0 401.551 2.603 20 0 HFADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)C1 ZINC001130840985 1080269682 /nfs/dbraw/zinc/26/96/82/1080269682.db2.gz ZAYAEKGICYBNOP-MRXNPFEDSA-N 1 0 419.547 2.880 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000807113850 1080290585 /nfs/dbraw/zinc/29/05/85/1080290585.db2.gz IKECZIJJASANGP-YZGWKJHDSA-N 1 0 402.539 2.817 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)NC1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1 ZINC000807123246 1080296157 /nfs/dbraw/zinc/29/61/57/1080296157.db2.gz HLZOLLNDPMKKQG-FUHYEJFZSA-N 1 0 400.498 2.953 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000807148368 1080304899 /nfs/dbraw/zinc/30/48/99/1080304899.db2.gz CFACBMAFSBVIHO-AYBZRNKSSA-N 1 0 408.518 2.985 20 0 HFADRO CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000807149629 1080306914 /nfs/dbraw/zinc/30/69/14/1080306914.db2.gz FVHOGSOSOBWCJS-BEFAXECRSA-N 1 0 408.518 2.985 20 0 HFADRO C[C@@H]1C[C@H](CCNC(=O)c2ccc(C(N)=O)c(Cl)n2)C[N@@H+]1Cc1ccccc1 ZINC000807149642 1080307014 /nfs/dbraw/zinc/30/70/14/1080307014.db2.gz CKWUYDKRXLUGIZ-ZBFHGGJFSA-N 1 0 400.910 2.864 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000807151673 1080310446 /nfs/dbraw/zinc/31/04/46/1080310446.db2.gz GDOFZGZLTGLBER-KNQAVFIVSA-N 1 0 402.539 2.961 20 0 HFADRO C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC1C[NH+](C)C1 ZINC001130851428 1080335088 /nfs/dbraw/zinc/33/50/88/1080335088.db2.gz DFGIQWWYRSYAEE-QFBILLFUSA-N 1 0 405.539 2.505 20 0 HFADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)[C@H]3CCCC34OCCO4)cc2)C[C@H]1C ZINC000807193435 1080343031 /nfs/dbraw/zinc/34/30/31/1080343031.db2.gz QYXARTVRPKIIPZ-WOIUINJBSA-N 1 0 416.562 2.855 20 0 HFADRO CC(=O)NCC[C@@H]1CCCN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807202928 1080349622 /nfs/dbraw/zinc/34/96/22/1080349622.db2.gz IDPGNQLGGIELPO-JTHBVZDNSA-N 1 0 400.567 2.846 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807203309 1080351689 /nfs/dbraw/zinc/35/16/89/1080351689.db2.gz LVWIFYDQTXTNKD-SIKLNZKXSA-N 1 0 402.539 2.819 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)C2)cc1C ZINC000807212691 1080361865 /nfs/dbraw/zinc/36/18/65/1080361865.db2.gz AIFZYSQNMDGGBR-KPFFTGBYSA-N 1 0 400.523 2.765 20 0 HFADRO C[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807212595 1080362511 /nfs/dbraw/zinc/36/25/11/1080362511.db2.gz HIIGFFRADUKBTM-GOSISDBHSA-N 1 0 423.598 2.840 20 0 HFADRO C[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000807177449 1080369655 /nfs/dbraw/zinc/36/96/55/1080369655.db2.gz YTPVFIIDWDOSTQ-WFASDCNBSA-N 1 0 415.763 2.596 20 0 HFADRO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC001170519399 1080379855 /nfs/dbraw/zinc/37/98/55/1080379855.db2.gz PQTSOJRXPQZEAW-FQEVSTJZSA-N 1 0 400.567 2.662 20 0 HFADRO CN1CCc2nc3ccccc3c(C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2C1 ZINC000747377788 1080380199 /nfs/dbraw/zinc/38/01/99/1080380199.db2.gz ZUCHYGDILUTRDG-URZJWIJPSA-N 1 0 408.546 2.546 20 0 HFADRO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807246629 1080403569 /nfs/dbraw/zinc/40/35/69/1080403569.db2.gz NDNVERQGCXJQNN-OAHAVBBTSA-N 1 0 407.599 2.857 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000747377388 1080403855 /nfs/dbraw/zinc/40/38/55/1080403855.db2.gz XNKKIRRWHWNBJK-FGTMMUONSA-N 1 0 409.571 2.782 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@]3(O)CCc4ccccc43)cc2)CC1 ZINC000807254866 1080412752 /nfs/dbraw/zinc/41/27/52/1080412752.db2.gz HGCQDDVYXCXECD-XMMPIXPASA-N 1 0 409.530 2.793 20 0 HFADRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1nc(Br)sc1C1CC1 ZINC000807265316 1080417511 /nfs/dbraw/zinc/41/75/11/1080417511.db2.gz YJQRXMITNDYLSG-LLVKDONJSA-N 1 0 401.374 2.539 20 0 HFADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)N(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000747383998 1080441601 /nfs/dbraw/zinc/44/16/01/1080441601.db2.gz PREVYSSWGTWUQX-UHFFFAOYSA-N 1 0 424.574 2.918 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1nc(Cl)nc2c1CNC2 ZINC001170521490 1080463029 /nfs/dbraw/zinc/46/30/29/1080463029.db2.gz IJXYXQKDVMYIIQ-UHFFFAOYSA-N 1 0 413.909 2.868 20 0 HFADRO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000747388963 1080468768 /nfs/dbraw/zinc/46/87/68/1080468768.db2.gz DEIGHPPEWIHJFZ-UHFFFAOYSA-N 1 0 402.539 2.771 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1C)c1ccco1 ZINC000807310445 1080504795 /nfs/dbraw/zinc/50/47/95/1080504795.db2.gz IYEHBXDLGXEMKD-BXUZGUMPSA-N 1 0 423.311 2.930 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000807355179 1080516243 /nfs/dbraw/zinc/51/62/43/1080516243.db2.gz PJJXTSXSGRSCCE-QFBILLFUSA-N 1 0 401.507 2.667 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cnc(Br)cc1C ZINC000807358168 1080519302 /nfs/dbraw/zinc/51/93/02/1080519302.db2.gz RODWIRFAKBVKSD-UHFFFAOYSA-N 1 0 411.344 2.816 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000807359300 1080519952 /nfs/dbraw/zinc/51/99/52/1080519952.db2.gz XMVLBTDTZCGGGN-UHFFFAOYSA-N 1 0 417.550 2.800 20 0 HFADRO CON(CC(C)(C)C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000807359140 1080520133 /nfs/dbraw/zinc/52/01/33/1080520133.db2.gz FHDKIURAJWWBOC-UHFFFAOYSA-N 1 0 418.538 2.876 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1 ZINC000807358902 1080520512 /nfs/dbraw/zinc/52/05/12/1080520512.db2.gz MOWPYZUVCYVZJJ-LJQANCHMSA-N 1 0 416.566 2.575 20 0 HFADRO C[C@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(OC(F)(F)F)c1 ZINC000807364395 1080544806 /nfs/dbraw/zinc/54/48/06/1080544806.db2.gz KKWZYTFBSYWUNS-WWTUQBGBSA-N 1 0 413.440 2.894 20 0 HFADRO Cc1ccc([C@@H](O)[C@@H](C)NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000807342408 1080547986 /nfs/dbraw/zinc/54/79/86/1080547986.db2.gz WZAIJHATDPPAEA-GCJKJVERSA-N 1 0 409.530 2.810 20 0 HFADRO Cc1ccc([C@H](O)[C@H](C)NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000807342409 1080548101 /nfs/dbraw/zinc/54/81/01/1080548101.db2.gz WZAIJHATDPPAEA-PGRDOPGGSA-N 1 0 409.530 2.810 20 0 HFADRO Cc1ccc([C@H](O)[C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000807347999 1080553735 /nfs/dbraw/zinc/55/37/35/1080553735.db2.gz RWIXBTYJZKUDGI-UIAACRFSSA-N 1 0 411.502 2.557 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000747393488 1080563265 /nfs/dbraw/zinc/56/32/65/1080563265.db2.gz FIKDBAPHXYRQGA-YADHBBJMSA-N 1 0 403.542 2.940 20 0 HFADRO C[C@H](NC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807401078 1080596529 /nfs/dbraw/zinc/59/65/29/1080596529.db2.gz ISNSORHDNAIISL-WMZOPIPTSA-N 1 0 403.596 2.886 20 0 HFADRO Cc1cc2cc(CNC(=O)C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)ccc2[nH]1 ZINC000807415019 1080613838 /nfs/dbraw/zinc/61/38/38/1080613838.db2.gz MJMORYNLVMCCFX-UHFFFAOYSA-N 1 0 419.529 2.873 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cnc(C2OCCO2)s1 ZINC000807450371 1080629994 /nfs/dbraw/zinc/62/99/94/1080629994.db2.gz ZOAJLLUDUDCNST-UHFFFAOYSA-N 1 0 405.442 2.724 20 0 HFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1N1CCSCC1 ZINC000807453021 1080633503 /nfs/dbraw/zinc/63/35/03/1080633503.db2.gz CZJHPWQTNUOEIW-YLJYHZDGSA-N 1 0 416.591 2.572 20 0 HFADRO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000807453877 1080634185 /nfs/dbraw/zinc/63/41/85/1080634185.db2.gz PCFNKRSSBPJMOS-HNAYVOBHSA-N 1 0 401.507 2.620 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc4oc(C(N)=O)nc4c3)cc2)CC1 ZINC001130962287 1080647983 /nfs/dbraw/zinc/64/79/83/1080647983.db2.gz BKZKPZYVIDSIGL-UHFFFAOYSA-N 1 0 407.474 2.709 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)c1ccco1 ZINC000807441171 1080661835 /nfs/dbraw/zinc/66/18/35/1080661835.db2.gz BPWKLJDVJLRPOS-HZPDHXFCSA-N 1 0 407.584 2.917 20 0 HFADRO CN(C)c1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1Cl ZINC000807486596 1080670639 /nfs/dbraw/zinc/67/06/39/1080670639.db2.gz JHVOZTLNOJFYJB-KRWDZBQOSA-N 1 0 406.889 2.903 20 0 HFADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807489007 1080676064 /nfs/dbraw/zinc/67/60/64/1080676064.db2.gz OZLJCUGONSCSRT-SFHVURJKSA-N 1 0 423.435 2.598 20 0 HFADRO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807489005 1080676108 /nfs/dbraw/zinc/67/61/08/1080676108.db2.gz OZLJCUGONSCSRT-GOSISDBHSA-N 1 0 423.435 2.598 20 0 HFADRO CN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000807498866 1080696239 /nfs/dbraw/zinc/69/62/39/1080696239.db2.gz ZAXLGRLBEIIIJT-DHLKQENFSA-N 1 0 423.557 2.523 20 0 HFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000807500108 1080697764 /nfs/dbraw/zinc/69/77/64/1080697764.db2.gz NXMGNUJILXVAJS-RDJZCZTQSA-N 1 0 418.538 2.509 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)C(=O)Nc2cccnc2Cl)[NH+](C)C)cc1 ZINC000807510479 1080713926 /nfs/dbraw/zinc/71/39/26/1080713926.db2.gz XOFPPDDCFJIRDE-QGZVFWFLSA-N 1 0 404.898 2.880 20 0 HFADRO Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)CCC2 ZINC000807541432 1080755604 /nfs/dbraw/zinc/75/56/04/1080755604.db2.gz JOMIYMZAGCADGN-FQEVSTJZSA-N 1 0 406.530 2.879 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 ZINC001170526717 1080756660 /nfs/dbraw/zinc/75/66/60/1080756660.db2.gz QUXKMFHCSITGPM-KFWWJZLASA-N 1 0 400.516 2.543 20 0 HFADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000807543218 1080758279 /nfs/dbraw/zinc/75/82/79/1080758279.db2.gz KQWYEAPTFCASGE-ZFWWWQNUSA-N 1 0 417.307 2.562 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1F ZINC000807522183 1080774173 /nfs/dbraw/zinc/77/41/73/1080774173.db2.gz SSCHZXLHOFENTD-IBGZPJMESA-N 1 0 412.509 2.658 20 0 HFADRO Cc1cccc(F)c1CNC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000807521932 1080774681 /nfs/dbraw/zinc/77/46/81/1080774681.db2.gz PZHFLHXFRKVHQR-UHFFFAOYSA-N 1 0 415.431 2.672 20 0 HFADRO CC[C@@H](c1ccccc1OC)N(C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000807527699 1080780715 /nfs/dbraw/zinc/78/07/15/1080780715.db2.gz XQBLNTNARNALKI-FQEVSTJZSA-N 1 0 424.545 2.995 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000747406053 1080791874 /nfs/dbraw/zinc/79/18/74/1080791874.db2.gz VQGSKXWTIFJMOY-INIZCTEOSA-N 1 0 403.552 2.575 20 0 HFADRO CON(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807582559 1080793660 /nfs/dbraw/zinc/79/36/60/1080793660.db2.gz PZPHALCYLPFZTD-IEBWSBKVSA-N 1 0 401.532 2.837 20 0 HFADRO Cc1ccc(N(C)[C@@H]2CCCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000807555238 1080805548 /nfs/dbraw/zinc/80/55/48/1080805548.db2.gz XGMHHAOHWBQCLP-NJEKYYFSSA-N 1 0 412.578 2.555 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807560592 1080817473 /nfs/dbraw/zinc/81/74/73/1080817473.db2.gz SVQWCHNXCRIVGQ-GOSISDBHSA-N 1 0 414.937 2.640 20 0 HFADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1 ZINC000466921268 1126094340 /nfs/dbraw/zinc/09/43/40/1126094340.db2.gz WUPVSOILUDZQMC-OAQYLSRUSA-N 1 0 412.530 2.698 20 0 HFADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000604766158 1126099859 /nfs/dbraw/zinc/09/98/59/1126099859.db2.gz MJENKUBSQCFTOQ-IAGOWNOFSA-N 1 0 402.438 2.682 20 0 HFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC001203281978 1126157808 /nfs/dbraw/zinc/15/78/08/1126157808.db2.gz CSVONAZERSCPOU-LJQANCHMSA-N 1 0 416.323 2.567 20 0 HFADRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC001308480496 1126167057 /nfs/dbraw/zinc/16/70/57/1126167057.db2.gz YKGFFJQTOHPWCD-HSZRJFAPSA-N 1 0 402.510 2.620 20 0 HFADRO Cc1cccn2c(=O)cc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)nc12 ZINC001460859522 1126192593 /nfs/dbraw/zinc/19/25/93/1126192593.db2.gz FDDGPZTXQHSHAP-FQEVSTJZSA-N 1 0 416.319 2.849 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc(-c3ccn(C)n3)n2)cc1OC ZINC001460872279 1126193440 /nfs/dbraw/zinc/19/34/40/1126193440.db2.gz VOVABWRQBOSDCE-HXUWFJFHSA-N 1 0 402.520 2.644 20 0 HFADRO CS(=O)(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001473641725 1126198272 /nfs/dbraw/zinc/19/82/72/1126198272.db2.gz UUZGIPTURLUFJH-IBGZPJMESA-N 1 0 424.360 2.862 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC001461733987 1126196750 /nfs/dbraw/zinc/19/67/50/1126196750.db2.gz BFYHIAWJJOQXGQ-NRFANRHFSA-N 1 0 402.495 2.916 20 0 HFADRO O=C1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CC2(CC[NH2+]CC2)N1 ZINC001164390335 718809159 /nfs/dbraw/zinc/80/91/59/718809159.db2.gz OGOXKFAGNDGXTN-UHFFFAOYSA-N 1 0 416.259 2.540 20 0 HFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164389113 718814953 /nfs/dbraw/zinc/81/49/53/718814953.db2.gz SZODXPQFSRBGBE-CYBMUJFWSA-N 1 0 412.790 2.890 20 0 HFADRO C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164389893 718824489 /nfs/dbraw/zinc/82/44/89/718824489.db2.gz KLDHHYWVXKKRIB-SJORKVTESA-N 1 0 413.591 2.733 20 0 HFADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCOCC45C[NH2+]C5)c32)C1 ZINC001164402184 718860698 /nfs/dbraw/zinc/86/06/98/718860698.db2.gz JCWFJINLLCIRQK-HNNXBMFYSA-N 1 0 413.591 2.591 20 0 HFADRO FC(F)(c1cccc2c(Cl)ncnc21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415837 718885583 /nfs/dbraw/zinc/88/55/83/718885583.db2.gz NLLORTBNXKWTGU-UHFFFAOYSA-N 1 0 405.840 2.519 20 0 HFADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423494 718917964 /nfs/dbraw/zinc/91/79/64/718917964.db2.gz HPCNVWFKOWIWOA-IBGZPJMESA-N 1 0 424.879 2.927 20 0 HFADRO Cc1nc2c(n1-c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)CC[NH2+]CC2 ZINC001164427064 718949615 /nfs/dbraw/zinc/94/96/15/718949615.db2.gz ADBNBPARWBASBH-UHFFFAOYSA-N 1 0 408.937 2.871 20 0 HFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164614156 719014361 /nfs/dbraw/zinc/01/43/61/719014361.db2.gz DARXGWBDOYADTG-IIMNLJJBSA-N 1 0 414.815 2.697 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)n1 ZINC001164613832 719023397 /nfs/dbraw/zinc/02/33/97/719023397.db2.gz GSSQWVKBEAXHLU-UHFFFAOYSA-N 1 0 403.523 2.811 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCCCC4)ncn3)CC2)CC1 ZINC001164616469 719031519 /nfs/dbraw/zinc/03/15/19/719031519.db2.gz CVISCPDLQSFHTQ-UHFFFAOYSA-N 1 0 401.555 2.711 20 0 HFADRO COC(=O)c1nc2cnccc2c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164629781 719083725 /nfs/dbraw/zinc/08/37/25/719083725.db2.gz ZATPHLDRJJGNBM-FXAWDEMLSA-N 1 0 403.486 2.912 20 0 HFADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)cnc1Cl ZINC001164619583 719127158 /nfs/dbraw/zinc/12/71/58/719127158.db2.gz FQUUIKWYMOBNNY-PWSUYJOCSA-N 1 0 411.877 2.587 20 0 HFADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)c1 ZINC001164650002 719294122 /nfs/dbraw/zinc/29/41/22/719294122.db2.gz XPBSZRBDEIAMSS-LGVFNWMJSA-N 1 0 424.545 2.904 20 0 HFADRO CC(C)N(C)Cc1nn(-c2nc3ccccc3nc2N2CCCC2)c2c1CC[NH2+]C2 ZINC001164679731 719636470 /nfs/dbraw/zinc/63/64/70/719636470.db2.gz KUXAZPDYPNQRFU-UHFFFAOYSA-N 1 0 405.550 2.902 20 0 HFADRO CC(C)N(C)Cc1nn(-c2ncccc2C(=O)N2CCC(C)CC2)c2c1CC[NH2+]C2 ZINC001164680666 719637962 /nfs/dbraw/zinc/63/79/62/719637962.db2.gz ZNCXBXUILMOXCF-UHFFFAOYSA-N 1 0 410.566 2.625 20 0 HFADRO CC(C)N(C)Cc1nn(-c2ccc(C(=O)N3CCC(C)CC3)cn2)c2c1CC[NH2+]C2 ZINC001164679489 719638610 /nfs/dbraw/zinc/63/86/10/719638610.db2.gz CIIFTRPMDICCIQ-UHFFFAOYSA-N 1 0 410.566 2.625 20 0 HFADRO Cc1nnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164685637 719682163 /nfs/dbraw/zinc/68/21/63/719682163.db2.gz LHNJNTFSPUQSDI-LJQANCHMSA-N 1 0 422.577 2.582 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164684043 719700971 /nfs/dbraw/zinc/70/09/71/719700971.db2.gz MVEJWQBROMGXDZ-UHFFFAOYSA-N 1 0 408.280 2.509 20 0 HFADRO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164694636 719886524 /nfs/dbraw/zinc/88/65/24/719886524.db2.gz BNHNQHHQFOVVSZ-UHFFFAOYSA-N 1 0 406.939 2.767 20 0 HFADRO CN(C)C(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164694748 719890757 /nfs/dbraw/zinc/89/07/57/719890757.db2.gz DXJCSAGSCCKDPS-UHFFFAOYSA-N 1 0 400.548 2.716 20 0 HFADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807870 720070794 /nfs/dbraw/zinc/07/07/94/720070794.db2.gz GFJUJJNRMUDSKK-KKSFZXQISA-N 1 0 420.579 2.560 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(C(=O)OC)ccc3n1)C2 ZINC001164812319 720084016 /nfs/dbraw/zinc/08/40/16/720084016.db2.gz QOOJAZSQNRLYPZ-XXBNENTESA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164710072 720097080 /nfs/dbraw/zinc/09/70/80/720097080.db2.gz GQOWDVGINLKEJF-IBGZPJMESA-N 1 0 410.518 2.771 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cnccc31)CC2 ZINC001164711091 720102169 /nfs/dbraw/zinc/10/21/69/720102169.db2.gz OAEMXTKXCWBQPR-LJQANCHMSA-N 1 0 404.518 2.927 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)C2 ZINC001164816501 720121982 /nfs/dbraw/zinc/12/19/82/720121982.db2.gz ZKCLMNSIXAOWGV-DYESRHJHSA-N 1 0 422.957 2.553 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cnccc3cc1C(=O)OC)C2 ZINC001164816522 720126304 /nfs/dbraw/zinc/12/63/04/720126304.db2.gz ZUSMJNRBXWJVLP-JPYJTQIMSA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)cc(OC)c31)C2 ZINC001164807406 720126686 /nfs/dbraw/zinc/12/66/86/720126686.db2.gz CGHPLMDRIBSUKU-UZUQRXQVSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164714562 720128484 /nfs/dbraw/zinc/12/84/84/720128484.db2.gz XGMOHPQMNMMWBR-HXUWFJFHSA-N 1 0 419.533 2.565 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(F)c(OC)cc31)C2 ZINC001164813889 720142696 /nfs/dbraw/zinc/14/26/96/720142696.db2.gz RMFXCFZIOKTKRA-AOMKIAJQSA-N 1 0 400.498 2.962 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164813797 720148280 /nfs/dbraw/zinc/14/82/80/720148280.db2.gz QQUKIWYVOUAEEA-AUSIDOKSSA-N 1 0 400.567 2.795 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164819726 720154697 /nfs/dbraw/zinc/15/46/97/720154697.db2.gz XXDQHMCEZXGRSG-KBXCAEBGSA-N 1 0 416.900 2.868 20 0 HFADRO COc1ccc2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164718132 720191409 /nfs/dbraw/zinc/19/14/09/720191409.db2.gz XKKNWHXCYZWWNK-OAQYLSRUSA-N 1 0 422.533 2.588 20 0 HFADRO Cc1cccc2ccnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164717631 720201485 /nfs/dbraw/zinc/20/14/85/720201485.db2.gz VNRIRVMQDLGECJ-FQEVSTJZSA-N 1 0 406.534 2.888 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3ccoc32)CC1 ZINC001164820527 720300360 /nfs/dbraw/zinc/30/03/60/720300360.db2.gz HINUFFHVAJWCDP-HOTGVXAUSA-N 1 0 403.914 2.788 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3nc(Cl)ccc32)CC1 ZINC001164825187 720301463 /nfs/dbraw/zinc/30/14/63/720301463.db2.gz SSJFFYARIBRSLA-SJORKVTESA-N 1 0 414.941 2.590 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825898 720304898 /nfs/dbraw/zinc/30/48/98/720304898.db2.gz UJQHLLZBRUDJSC-PMACEKPBSA-N 1 0 409.534 2.550 20 0 HFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821616 720309899 /nfs/dbraw/zinc/30/98/99/720309899.db2.gz LJWMVDSONHEMGI-SJORKVTESA-N 1 0 416.957 2.533 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828952 720318327 /nfs/dbraw/zinc/31/83/27/720318327.db2.gz KSSXYWRIWYKYIH-LEWJYISDSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnnc(Cl)c2)CC1 ZINC001164833423 720319309 /nfs/dbraw/zinc/31/93/09/720319309.db2.gz XCFJHJMQWDQVFW-CVEARBPZSA-N 1 0 413.900 2.586 20 0 HFADRO COc1cccc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c21 ZINC001164828652 720341025 /nfs/dbraw/zinc/34/10/25/720341025.db2.gz PAAFZHVHRNQTHP-OALUTQOASA-N 1 0 409.534 2.550 20 0 HFADRO CCCSc1cncc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164821556 720343543 /nfs/dbraw/zinc/34/35/43/720343543.db2.gz AWVCVIIHAFCYQV-ROUUACIJSA-N 1 0 403.596 2.890 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(C3CC3)nc3[nH]ccc32)CC1 ZINC001164828368 720351595 /nfs/dbraw/zinc/35/15/95/720351595.db2.gz OLNOCBLDZMEBHM-RBUKOAKNSA-N 1 0 408.550 2.747 20 0 HFADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)C1=O ZINC001164726386 720425987 /nfs/dbraw/zinc/42/59/87/720425987.db2.gz BVMFOASFKHLGRK-SJORKVTESA-N 1 0 412.925 2.742 20 0 HFADRO COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834883 720512183 /nfs/dbraw/zinc/51/21/83/720512183.db2.gz HVOPCNVGXGCRRM-HHXXYDBFSA-N 1 0 401.486 2.582 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2ccn3Cc2ccccc2)C1 ZINC001164727421 720517229 /nfs/dbraw/zinc/51/72/29/720517229.db2.gz FYQODZIEKANNAI-LJQANCHMSA-N 1 0 401.518 2.874 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncccc2C(=O)N2CCc3ccccc32)C1 ZINC001164734581 720523525 /nfs/dbraw/zinc/52/35/25/720523525.db2.gz QUXAWBJPSZGENQ-GOSISDBHSA-N 1 0 416.529 2.679 20 0 HFADRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164832801 720524205 /nfs/dbraw/zinc/52/42/05/720524205.db2.gz BKNVRJMFMVCRLV-SOUVJXGZSA-N 1 0 407.975 2.821 20 0 HFADRO COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1F ZINC001164833761 720526474 /nfs/dbraw/zinc/52/64/74/720526474.db2.gz DQJRANIAQQNKPN-JTDSTZFVSA-N 1 0 401.486 2.582 20 0 HFADRO COc1ccc(OC)c(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)c1 ZINC001164735491 720528601 /nfs/dbraw/zinc/52/86/01/720528601.db2.gz YQUZIAHUUQUCIV-INIZCTEOSA-N 1 0 408.506 2.555 20 0 HFADRO COc1ccc(-c2ccc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nn2)c(OC)c1 ZINC001164734851 720528977 /nfs/dbraw/zinc/52/89/77/720528977.db2.gz SCDUSAGEZXTSHR-INIZCTEOSA-N 1 0 408.506 2.555 20 0 HFADRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(F)c1 ZINC001164839303 720533038 /nfs/dbraw/zinc/53/30/38/720533038.db2.gz QDYJJQQRFZEJEA-JENIJYKNSA-N 1 0 401.486 2.582 20 0 HFADRO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164834710 720545945 /nfs/dbraw/zinc/54/59/45/720545945.db2.gz FXHCJKAZCIVHBH-PCCBWWKXSA-N 1 0 411.550 2.762 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4ccc(=O)n(C)c4n3)CC[C@@H]21 ZINC001164841470 720548338 /nfs/dbraw/zinc/54/83/38/720548338.db2.gz WBHGSDJHCWCXTF-AABGKKOBSA-N 1 0 406.534 2.508 20 0 HFADRO CCOC(=O)c1nc2ccccc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164733336 720552377 /nfs/dbraw/zinc/55/23/77/720552377.db2.gz LQOFJRSXRAHSID-UHFFFAOYSA-N 1 0 420.517 2.662 20 0 HFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164729541 720564126 /nfs/dbraw/zinc/56/41/26/720564126.db2.gz QJXHNUCYVLDWAC-UHFFFAOYSA-N 1 0 404.518 2.911 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4ncnc(Cl)c4n3)CC[C@@H]21 ZINC001164840178 720573648 /nfs/dbraw/zinc/57/36/48/720573648.db2.gz SAOMQOBXHHGGLS-ZOBUZTSGSA-N 1 0 412.929 2.648 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H](F)Oc3cncc(Cl)n3)CC[C@@H]21 ZINC001164837719 720634229 /nfs/dbraw/zinc/63/42/29/720634229.db2.gz IPRUYNIWJNCFGT-DRMAHVMPSA-N 1 0 408.909 2.832 20 0 HFADRO CCOC(=O)c1cncnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836977 720655509 /nfs/dbraw/zinc/65/55/09/720655509.db2.gz AMASVKVJVRXAEZ-LJQANCHMSA-N 1 0 410.518 2.913 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164839741 720712394 /nfs/dbraw/zinc/71/23/94/720712394.db2.gz MSMULGOBPMUUMY-JOCHJYFZSA-N 1 0 418.545 2.981 20 0 HFADRO Fc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164739430 720735378 /nfs/dbraw/zinc/73/53/78/720735378.db2.gz IOTYLPKFXAUJMZ-WMZOPIPTSA-N 1 0 408.437 2.540 20 0 HFADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744062 720758745 /nfs/dbraw/zinc/75/87/45/720758745.db2.gz RDSNKIVVDWITIX-CABCVRRESA-N 1 0 402.930 2.868 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750393 720808354 /nfs/dbraw/zinc/80/83/54/720808354.db2.gz VLBVVEKUKFJZID-QHAWAJNXSA-N 1 0 422.581 2.578 20 0 HFADRO Cc1nc2ccsc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164750054 720809412 /nfs/dbraw/zinc/80/94/12/720809412.db2.gz VBZCJCANBGSZOO-YQVWRLOYSA-N 1 0 409.563 2.971 20 0 HFADRO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743348 720814361 /nfs/dbraw/zinc/81/43/61/720814361.db2.gz FGDPWKDWMXXHDP-PLMTUMEDSA-N 1 0 407.497 2.740 20 0 HFADRO Clc1ncnc2[nH]cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164745520 720815058 /nfs/dbraw/zinc/81/50/58/720815058.db2.gz KROJOIMNSWALLY-BZUAXINKSA-N 1 0 412.929 2.534 20 0 HFADRO Clc1ncnc2[nH]cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164745518 720815074 /nfs/dbraw/zinc/81/50/74/720815074.db2.gz KROJOIMNSWALLY-ARFHVFGLSA-N 1 0 412.929 2.534 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c1 ZINC001164738140 720820599 /nfs/dbraw/zinc/82/05/99/720820599.db2.gz DUBKTSAVQMNNGB-PCCBWWKXSA-N 1 0 424.549 2.538 20 0 HFADRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164738830 720824854 /nfs/dbraw/zinc/82/48/54/720824854.db2.gz GWSPLVZROSJPNM-CNNODRBYSA-N 1 0 403.534 2.909 20 0 HFADRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164738833 720824956 /nfs/dbraw/zinc/82/49/56/720824956.db2.gz GWSPLVZROSJPNM-XQBPLPMBSA-N 1 0 403.534 2.909 20 0 HFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737669 720828934 /nfs/dbraw/zinc/82/89/34/720828934.db2.gz BLYKSKQJKSHMRO-YZLZLFLDSA-N 1 0 420.920 2.833 20 0 HFADRO COc1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164746155 720829460 /nfs/dbraw/zinc/82/94/60/720829460.db2.gz YBPSVZLAKCRMBG-NPPFBWRTSA-N 1 0 419.533 2.609 20 0 HFADRO Cc1nc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164737431 720829582 /nfs/dbraw/zinc/82/95/82/720829582.db2.gz BCCCVJVGIVHEMB-KZNAEPCWSA-N 1 0 401.946 2.718 20 0 HFADRO COc1cccc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164739227 720830578 /nfs/dbraw/zinc/83/05/78/720830578.db2.gz HVVYTLQHMYMCDE-HSALFYBXSA-N 1 0 419.533 2.609 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164855261 720834235 /nfs/dbraw/zinc/83/42/35/720834235.db2.gz SYVUSFPMECLQQH-YPMHNXCESA-N 1 0 411.280 2.502 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(SC)n3)CC[C@@H]2C1 ZINC001164854271 720836641 /nfs/dbraw/zinc/83/66/41/720836641.db2.gz QWZFFUJXGMOKCY-OLZOCXBDSA-N 1 0 422.929 2.570 20 0 HFADRO Fc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164748044 720840660 /nfs/dbraw/zinc/84/06/60/720840660.db2.gz SIXMLXJBQADMHP-FBBABVLZSA-N 1 0 407.497 2.740 20 0 HFADRO COc1nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc21 ZINC001164748015 720846665 /nfs/dbraw/zinc/84/66/65/720846665.db2.gz SETUTENOHPLPPY-DBXWQHBBSA-N 1 0 419.533 2.609 20 0 HFADRO COc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164744746 720849097 /nfs/dbraw/zinc/84/90/97/720849097.db2.gz LPBXQASSUNIXSI-CMKODMSKSA-N 1 0 419.533 2.609 20 0 HFADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748129 720852395 /nfs/dbraw/zinc/85/23/95/720852395.db2.gz KJLRMVUCPRBVCR-TUNNFDKTSA-N 1 0 416.533 2.510 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc2ccccc21 ZINC001164854959 720853532 /nfs/dbraw/zinc/85/35/32/720853532.db2.gz LWBVMJSCCSZHCN-UTKZUKDTSA-N 1 0 413.518 2.585 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@@H]2C1 ZINC001164857415 720870768 /nfs/dbraw/zinc/87/07/68/720870768.db2.gz QTAXYUMQCZJRKV-MSOLQXFVSA-N 1 0 415.538 2.603 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@@H]2C1 ZINC001164862201 720880491 /nfs/dbraw/zinc/88/04/91/720880491.db2.gz RGAPVUMFSQYDGQ-VQIMIIECSA-N 1 0 402.470 2.582 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3OCc3ccc(F)cc3)CC[C@H]2C1 ZINC001164864700 720881337 /nfs/dbraw/zinc/88/13/37/720881337.db2.gz WNCUVWTYNKNWBV-SIKLNZKXSA-N 1 0 415.509 2.973 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@H]2C1 ZINC001164857636 720881567 /nfs/dbraw/zinc/88/15/67/720881567.db2.gz KCDNWITWBTVRLY-KXBFYZLASA-N 1 0 404.461 2.595 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CC[C@H]2C1 ZINC001164856739 720888080 /nfs/dbraw/zinc/88/80/80/720888080.db2.gz JDBSONJEFXVHAX-GHTZIAJQSA-N 1 0 400.498 2.765 20 0 HFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868139 721060779 /nfs/dbraw/zinc/06/07/79/721060779.db2.gz MXHAMERHLBOQAU-CVEARBPZSA-N 1 0 409.868 2.858 20 0 HFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868142 721061262 /nfs/dbraw/zinc/06/12/62/721061262.db2.gz MXHAMERHLBOQAU-JKSUJKDBSA-N 1 0 409.868 2.858 20 0 HFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164868141 721061466 /nfs/dbraw/zinc/06/14/66/721061466.db2.gz MXHAMERHLBOQAU-HZPDHXFCSA-N 1 0 409.868 2.858 20 0 HFADRO COC(=O)c1ccc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865558 721076224 /nfs/dbraw/zinc/07/62/24/721076224.db2.gz MVQYPCXSHCAOJI-LEWJYISDSA-N 1 0 418.497 2.896 20 0 HFADRO CCOC(=O)c1cc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001164865511 721076806 /nfs/dbraw/zinc/07/68/06/721076806.db2.gz MDOBNKLTTTUDLB-OALUTQOASA-N 1 0 421.501 2.614 20 0 HFADRO CCOc1ccc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164865434 721096192 /nfs/dbraw/zinc/09/61/92/721096192.db2.gz LHUXLQRJCJMPRD-AZUAARDMSA-N 1 0 405.502 2.903 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863466 721112749 /nfs/dbraw/zinc/11/27/49/721112749.db2.gz CIKRKHNFOAHZLN-VQTJNVASSA-N 1 0 418.497 2.896 20 0 HFADRO COC(=O)c1ccc2ccnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164764825 721113623 /nfs/dbraw/zinc/11/36/23/721113623.db2.gz IBXVCDASRWVIQM-WOJBJXKFSA-N 1 0 405.502 2.713 20 0 HFADRO COc1ccc2nc(Cl)cc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2n1 ZINC001164765674 721142981 /nfs/dbraw/zinc/14/29/81/721142981.db2.gz KBJQVIUKBXVWBG-CVEARBPZSA-N 1 0 412.925 2.984 20 0 HFADRO CSc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164869309 721188908 /nfs/dbraw/zinc/18/89/08/721188908.db2.gz QFSBUMNRRDXWGD-HZPDHXFCSA-N 1 0 403.577 2.795 20 0 HFADRO COc1ccccc1-c1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncn1 ZINC001164762638 721210783 /nfs/dbraw/zinc/21/07/83/721210783.db2.gz DBTCDFITVPVJRV-RTBURBONSA-N 1 0 404.518 2.844 20 0 HFADRO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164768442 721219618 /nfs/dbraw/zinc/21/96/18/721219618.db2.gz KZSKSDTVVNTGNB-SFTDATJTSA-N 1 0 403.534 2.847 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)nc4sccc43)CC2)C1 ZINC001164868514 721269580 /nfs/dbraw/zinc/26/95/80/721269580.db2.gz ABBPZWLJFJLDQH-UHFFFAOYSA-N 1 0 422.982 2.957 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc2N1C1CCCC1 ZINC001164773157 721288550 /nfs/dbraw/zinc/28/85/50/721288550.db2.gz NYHVNXKYDQJUAF-LJQANCHMSA-N 1 0 424.593 2.903 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4c3CCC4)C2)C1 ZINC001164779929 721361307 /nfs/dbraw/zinc/36/13/07/721361307.db2.gz ASMKHBCGAZCNGF-QHCPKHFHSA-N 1 0 411.550 2.998 20 0 HFADRO Cc1csc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164886270 721380892 /nfs/dbraw/zinc/38/08/92/721380892.db2.gz DVOIBPGTONCCBM-LAUBAEHRSA-N 1 0 401.580 2.765 20 0 HFADRO Cc1csc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164886275 721381008 /nfs/dbraw/zinc/38/10/08/721381008.db2.gz DVOIBPGTONCCBM-UWJYYQICSA-N 1 0 401.580 2.765 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc(C5CC5)n4)C3)O2)CC1 ZINC001164888602 721389048 /nfs/dbraw/zinc/38/90/48/721389048.db2.gz KIYCZTOLXZUJHF-LAUBAEHRSA-N 1 0 405.974 2.773 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccnc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164885700 721390597 /nfs/dbraw/zinc/39/05/97/721390597.db2.gz DDJBPDAJFCEOKX-URXFXBBRSA-N 1 0 407.562 2.909 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892840 721397504 /nfs/dbraw/zinc/39/75/04/721397504.db2.gz TXRUSRMRYXABTR-HTAPYJJXSA-N 1 0 404.986 2.989 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ncsc54)C3)O2)CC1 ZINC001164886555 721413714 /nfs/dbraw/zinc/41/37/14/721413714.db2.gz JXJOEVZWTHZOTG-AUUYWEPGSA-N 1 0 422.986 2.505 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892506 721417216 /nfs/dbraw/zinc/41/72/16/721417216.db2.gz YPECOUBUILWDML-MHECFPHRSA-N 1 0 420.561 2.877 20 0 HFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccco2)n1 ZINC001164895811 721440377 /nfs/dbraw/zinc/44/03/77/721440377.db2.gz PXOMHAVFJQMFIA-XXBNENTESA-N 1 0 411.550 2.810 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164786801 721459292 /nfs/dbraw/zinc/45/92/92/721459292.db2.gz PLGGVBBRLDOHFF-HXUWFJFHSA-N 1 0 416.566 2.774 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001164795050 721499535 /nfs/dbraw/zinc/49/95/35/721499535.db2.gz BPQSMAOSWHMZLF-UHFFFAOYSA-N 1 0 400.548 2.761 20 0 HFADRO CC(C)c1cc2c(ncnc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)s1 ZINC001164794689 721508063 /nfs/dbraw/zinc/50/80/63/721508063.db2.gz CZIDBLSDLWRUDG-UHFFFAOYSA-N 1 0 411.579 2.779 20 0 HFADRO COC(=O)c1ccc2cnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2c1 ZINC001164900744 721517211 /nfs/dbraw/zinc/51/72/11/721517211.db2.gz UNAWGNXOIBQQFE-UYAOXDASSA-N 1 0 422.460 2.897 20 0 HFADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ncc21 ZINC001164900682 721524797 /nfs/dbraw/zinc/52/47/97/721524797.db2.gz SYOQONIEYZQGEO-FUHWJXTLSA-N 1 0 422.460 2.897 20 0 HFADRO CCOC(=O)/C=C/c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810698 721530315 /nfs/dbraw/zinc/53/03/15/721530315.db2.gz YBIXTFJXIDMEJS-FNSFZGIJSA-N 1 0 422.529 2.921 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164805987 721537293 /nfs/dbraw/zinc/53/72/93/721537293.db2.gz NEFJPCKNPBBXTM-ONTIZHBOSA-N 1 0 410.518 2.830 20 0 HFADRO CCOc1ccc(C(=O)OC)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911028 721539564 /nfs/dbraw/zinc/53/95/64/721539564.db2.gz VEMMPUYVCFQIHM-WMZOPIPTSA-N 1 0 415.465 2.748 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)cc-2n1 ZINC001164910371 721548698 /nfs/dbraw/zinc/54/86/98/721548698.db2.gz UMIMVTYCHPVIJD-FUHWJXTLSA-N 1 0 410.449 2.831 20 0 HFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164903100 721560792 /nfs/dbraw/zinc/56/07/92/721560792.db2.gz AKRFZPWFIFPNBI-HKUYNNGSSA-N 1 0 415.538 2.511 20 0 HFADRO CCOC(=O)c1cnc(CC)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903483 721562625 /nfs/dbraw/zinc/56/26/25/721562625.db2.gz BJKRRHCBEDRTDP-WMZOPIPTSA-N 1 0 414.481 2.697 20 0 HFADRO COC(=O)/C=C\c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164800282 721570329 /nfs/dbraw/zinc/57/03/29/721570329.db2.gz DMTQNVHCVYVHCB-QCHDKYKPSA-N 1 0 422.529 2.839 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc-2n1 ZINC001164809423 721571398 /nfs/dbraw/zinc/57/13/98/721571398.db2.gz XETMFEDXMCQLPF-URVUXULASA-N 1 0 421.501 2.613 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802931 721575077 /nfs/dbraw/zinc/57/50/77/721575077.db2.gz IVCFXYATLQDHJG-KCZVDYSFSA-N 1 0 408.550 2.730 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802937 721575409 /nfs/dbraw/zinc/57/54/09/721575409.db2.gz IVCFXYATLQDHJG-TUNNFDKTSA-N 1 0 408.550 2.730 20 0 HFADRO NC(=O)c1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907512 721586374 /nfs/dbraw/zinc/58/63/74/721586374.db2.gz UZNAPEPMJUXVDH-LJQANCHMSA-N 1 0 421.879 2.967 20 0 HFADRO FC1(F)CCN(c2ncc3c(n2)CCCN3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906910 721703428 /nfs/dbraw/zinc/70/34/28/721703428.db2.gz PACPSYFWTKUMCB-HXUWFJFHSA-N 1 0 400.477 2.967 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C(=O)OC(C)(C)C)ccn2)CC1 ZINC001165008412 721732017 /nfs/dbraw/zinc/73/20/17/721732017.db2.gz NTEYBZQTRSWEMH-UHFFFAOYSA-N 1 0 402.539 2.560 20 0 HFADRO CSc1nc2ccsc2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165010644 721736471 /nfs/dbraw/zinc/73/64/71/721736471.db2.gz IIYWQTWFEKDEID-UHFFFAOYSA-N 1 0 405.593 2.936 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010530 721741181 /nfs/dbraw/zinc/74/11/81/721741181.db2.gz OAPOUOZAIMPRTO-UHFFFAOYSA-N 1 0 410.518 2.544 20 0 HFADRO c1cncc(O[C@H]2CO[C@@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)c1 ZINC001164916919 721806542 /nfs/dbraw/zinc/80/65/42/721806542.db2.gz SDXZPDJYBZCSHU-OFNKIYASSA-N 1 0 410.518 2.768 20 0 HFADRO c1cncc(O[C@@H]2CO[C@@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)c1 ZINC001164916920 721806721 /nfs/dbraw/zinc/80/67/21/721806721.db2.gz SDXZPDJYBZCSHU-REWPJTCUSA-N 1 0 410.518 2.768 20 0 HFADRO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165024113 721819040 /nfs/dbraw/zinc/81/90/40/721819040.db2.gz ISHAWFVKCQKQEA-IOMROCGXSA-N 1 0 409.534 2.714 20 0 HFADRO COc1cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CCN3C)nc(Cl)n1 ZINC001164919054 721821574 /nfs/dbraw/zinc/82/15/74/721821574.db2.gz LIMINGIAISEMFO-UHFFFAOYSA-N 1 0 412.872 2.630 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@@H]21 ZINC001165025772 721832048 /nfs/dbraw/zinc/83/20/48/721832048.db2.gz NXKNXDQIVRVROU-IMFGXOCKSA-N 1 0 406.534 2.585 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@@H]21 ZINC001165025773 721832315 /nfs/dbraw/zinc/83/23/15/721832315.db2.gz NXKNXDQIVRVROU-XKGZKEIXSA-N 1 0 406.534 2.585 20 0 HFADRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164920698 721836917 /nfs/dbraw/zinc/83/69/17/721836917.db2.gz APEFEWFASFTRRY-REWPJTCUSA-N 1 0 408.550 2.730 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923600 721853756 /nfs/dbraw/zinc/85/37/56/721853756.db2.gz AXLJZKGWQBLEHG-ROUUACIJSA-N 1 0 405.974 2.576 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927106 721869868 /nfs/dbraw/zinc/86/98/68/721869868.db2.gz UOKCTSMXNPYEPB-JKSUJKDBSA-N 1 0 406.893 2.671 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc(C(=O)NC2CCCC2)cc1Cl ZINC001164933489 721881038 /nfs/dbraw/zinc/88/10/38/721881038.db2.gz MKAPJPCZRQOPLJ-RBUKOAKNSA-N 1 0 405.974 2.622 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164935462 721889004 /nfs/dbraw/zinc/88/90/04/721889004.db2.gz WUKCMJUFDUYFAY-GJZGRUSLSA-N 1 0 417.888 2.587 20 0 HFADRO CCOC(=O)c1cncnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939053 721920256 /nfs/dbraw/zinc/92/02/56/721920256.db2.gz RZRNJJFPAVYPIK-UHFFFAOYSA-N 1 0 410.518 2.833 20 0 HFADRO CCOC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ncn1 ZINC001164938949 721924789 /nfs/dbraw/zinc/92/47/89/721924789.db2.gz CSSVFLAPDBCQEB-UHFFFAOYSA-N 1 0 410.518 2.833 20 0 HFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044328 721958528 /nfs/dbraw/zinc/95/85/28/721958528.db2.gz IAARLCJRTZPPGS-BQYQJAHWSA-N 1 0 406.486 2.950 20 0 HFADRO CC[NH+](CC)C1CCN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC001165053103 722004751 /nfs/dbraw/zinc/00/47/51/722004751.db2.gz IVDKRTOPGGWRFI-UHFFFAOYSA-N 1 0 404.536 2.983 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)nc1 ZINC001164962563 722037967 /nfs/dbraw/zinc/03/79/67/722037967.db2.gz NWFXSJHORDCFAW-XAPVIXHLSA-N 1 0 423.561 2.601 20 0 HFADRO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164963685 722065007 /nfs/dbraw/zinc/06/50/07/722065007.db2.gz BYRAHLGUKMKHGD-MSOLQXFVSA-N 1 0 413.547 2.506 20 0 HFADRO Fc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164985139 722100324 /nfs/dbraw/zinc/10/03/24/722100324.db2.gz UZGXIQHWZSNECX-GDBMZVCRSA-N 1 0 416.888 2.873 20 0 HFADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CSC2 ZINC001164982728 722108680 /nfs/dbraw/zinc/10/86/80/722108680.db2.gz XUTALWWDVLBPBJ-CRAIPNDOSA-N 1 0 417.966 2.999 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C)c1 ZINC001164981826 722108834 /nfs/dbraw/zinc/10/88/34/722108834.db2.gz VGFWTRAIIUSVPE-FPOVZHCZSA-N 1 0 410.518 2.689 20 0 HFADRO COc1ccc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164972591 722109265 /nfs/dbraw/zinc/10/92/65/722109265.db2.gz GCWHCONYJIONGY-SIKLNZKXSA-N 1 0 405.502 2.761 20 0 HFADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974903 722115554 /nfs/dbraw/zinc/11/55/54/722115554.db2.gz IVIDXQKPGHJLNK-UXHICEINSA-N 1 0 410.518 2.607 20 0 HFADRO FC(F)(c1cnnc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973056 722119298 /nfs/dbraw/zinc/11/92/98/722119298.db2.gz GGRDSGXETQJFII-RDJZCZTQSA-N 1 0 409.868 2.797 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C ZINC001164972493 722122427 /nfs/dbraw/zinc/12/24/27/722122427.db2.gz FRYLJFQSSPPORB-PZJWPPBQSA-N 1 0 410.518 2.689 20 0 HFADRO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978862 722134258 /nfs/dbraw/zinc/13/42/58/722134258.db2.gz KBQKMFIQDIMGNI-CVEARBPZSA-N 1 0 409.868 2.797 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccnc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164973276 722138207 /nfs/dbraw/zinc/13/82/07/722138207.db2.gz BQRYRLJOACXHCS-LEWJYISDSA-N 1 0 408.550 2.589 20 0 HFADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164983354 722138237 /nfs/dbraw/zinc/13/82/37/722138237.db2.gz UOUKDXIJGLQOKM-YADHBBJMSA-N 1 0 416.529 2.969 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@@H]3C2)c1 ZINC001164977090 722149823 /nfs/dbraw/zinc/14/98/23/722149823.db2.gz IRLHXPLUGVWHGZ-YADHBBJMSA-N 1 0 422.577 2.979 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Cl)nc3ncccc13)CCC2 ZINC001164999555 722252855 /nfs/dbraw/zinc/25/28/55/722252855.db2.gz BOYUCNMZWMZUFE-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc3c(Cl)cccc3n1)CCC2 ZINC001165001893 722254119 /nfs/dbraw/zinc/25/41/19/722254119.db2.gz IJYONEYHDMESPM-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO COC(=O)c1ccc2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ncc2c1 ZINC001165001548 722256025 /nfs/dbraw/zinc/25/60/25/722256025.db2.gz BKOGZSRXDCTDFS-UHFFFAOYSA-N 1 0 423.517 2.706 20 0 HFADRO CCc1nc2sccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003844 722257408 /nfs/dbraw/zinc/25/74/08/722257408.db2.gz JIAYEFVBXRCNGP-UHFFFAOYSA-N 1 0 400.552 2.939 20 0 HFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001165004417 722268938 /nfs/dbraw/zinc/26/89/38/722268938.db2.gz ASKVNXHWGIBCAD-XMMPIXPASA-N 1 0 423.536 2.742 20 0 HFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001165004409 722268968 /nfs/dbraw/zinc/26/89/68/722268968.db2.gz ASKVNXHWGIBCAD-DEOSSOPVSA-N 1 0 423.536 2.742 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995935 1078044144 /nfs/dbraw/zinc/04/41/44/1078044144.db2.gz CTFKKUPSJNXVBE-LMNJBCLMSA-N 1 0 414.550 2.817 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cn1 ZINC000790468689 1078045509 /nfs/dbraw/zinc/04/55/09/1078045509.db2.gz RUKQVRPMALDKRC-PGRDOPGGSA-N 1 0 411.550 2.799 20 0 HFADRO O[C@@H](C[NH2+]Cc1cccc(I)c1)COc1cccc(F)c1 ZINC000790530036 1078051705 /nfs/dbraw/zinc/05/17/05/1078051705.db2.gz HBWRZKJNQYSIFZ-HNNXBMFYSA-N 1 0 401.219 2.960 20 0 HFADRO C[C@@]1(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793037041 1078053288 /nfs/dbraw/zinc/05/32/88/1078053288.db2.gz HAOLNPSPVMPFBQ-DENIHFKCSA-N 1 0 400.523 2.571 20 0 HFADRO O=C(N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(F)(F)C1CCOCC1 ZINC000790549083 1078053758 /nfs/dbraw/zinc/05/37/58/1078053758.db2.gz UYBGGOBHMFDMDX-GOSISDBHSA-N 1 0 422.520 2.504 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)Nc2cccc(Cl)n2)cc1)C1CC[NH+](C)CC1 ZINC000793043410 1078054521 /nfs/dbraw/zinc/05/45/21/1078054521.db2.gz UWATXJDUZLDFIT-UHFFFAOYSA-N 1 0 401.898 2.843 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000790574169 1078056159 /nfs/dbraw/zinc/05/61/59/1078056159.db2.gz CCWBMZCEFXIMIU-GOSISDBHSA-N 1 0 413.559 2.705 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000793049987 1078056854 /nfs/dbraw/zinc/05/68/54/1078056854.db2.gz CIDXBOUMSDVWAB-DEPWHIHDSA-N 1 0 424.545 2.957 20 0 HFADRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)Nc1cccc(Br)n1 ZINC000793067362 1078061233 /nfs/dbraw/zinc/06/12/33/1078061233.db2.gz HGIGPHUAGKJOEH-UHFFFAOYSA-N 1 0 423.355 2.945 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCSC1 ZINC000793079462 1078063565 /nfs/dbraw/zinc/06/35/65/1078063565.db2.gz XVOBONNNBWKINO-NHCUHLMSSA-N 1 0 420.579 2.524 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)Nc3cnc(CC4CC4)nc3)cc2)CC1 ZINC000793058533 1078068698 /nfs/dbraw/zinc/06/86/98/1078068698.db2.gz OBPXIELRWJNMBD-UHFFFAOYSA-N 1 0 422.533 2.537 20 0 HFADRO CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3CC(c4cccnc4)=NO3)CCCCC2)CCO1 ZINC000790607566 1078074123 /nfs/dbraw/zinc/07/41/23/1078074123.db2.gz WZWRMPJVABOPIM-LJQANCHMSA-N 1 0 400.523 2.505 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc2)C1=O ZINC000790612295 1078075246 /nfs/dbraw/zinc/07/52/46/1078075246.db2.gz WSALVVSRTUXNSK-HSZRJFAPSA-N 1 0 407.470 2.973 20 0 HFADRO COC(=O)c1cn(CC[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2Cl)nn1 ZINC000790612628 1078076130 /nfs/dbraw/zinc/07/61/30/1078076130.db2.gz DMYUNLLRKZUPAF-UHFFFAOYSA-N 1 0 409.277 2.655 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC=C(c3ccccc3)C2)CC1 ZINC000793104150 1078079045 /nfs/dbraw/zinc/07/90/45/1078079045.db2.gz HWFJBGORCJSADN-UHFFFAOYSA-N 1 0 404.514 2.693 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2cccc(-n3cccc3)c2)cc1 ZINC000793111879 1078082295 /nfs/dbraw/zinc/08/22/95/1078082295.db2.gz UBWUHKJJEUEIIM-OAQYLSRUSA-N 1 0 406.486 2.844 20 0 HFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000790665069 1078083127 /nfs/dbraw/zinc/08/31/27/1078083127.db2.gz YDRUMRDGBFARAF-QGZVFWFLSA-N 1 0 404.555 2.718 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3ccc(-n4ccnc4)nc3)cc2)CC1 ZINC000790667489 1078084520 /nfs/dbraw/zinc/08/45/20/1078084520.db2.gz NGQFYUXEMKPTIV-UHFFFAOYSA-N 1 0 420.517 2.740 20 0 HFADRO CN(c1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000793132839 1078086815 /nfs/dbraw/zinc/08/68/15/1078086815.db2.gz UONMXKMMEVSTCU-QFIPXVFZSA-N 1 0 400.567 2.799 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153499 1078091826 /nfs/dbraw/zinc/09/18/26/1078091826.db2.gz KDFWXEPFFODHNU-LPHOPBHVSA-N 1 0 402.926 2.759 20 0 HFADRO Cn1c2nn(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000772828309 1078090634 /nfs/dbraw/zinc/09/06/34/1078090634.db2.gz MEYKZEVOMWFQPI-YJBOKZPZSA-N 1 0 424.574 2.623 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000793235362 1078102843 /nfs/dbraw/zinc/10/28/43/1078102843.db2.gz OKLBNIYMBDLIQJ-UHFFFAOYSA-N 1 0 421.950 2.894 20 0 HFADRO O=C1C(=O)N(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2cccc(Br)c21 ZINC000772829172 1078106398 /nfs/dbraw/zinc/10/63/98/1078106398.db2.gz RZKQOEMYYOEACY-CJNGLKHVSA-N 1 0 418.335 2.885 20 0 HFADRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000790718069 1078107165 /nfs/dbraw/zinc/10/71/65/1078107165.db2.gz MXHAIPOGGQATOJ-HQRMLTQVSA-N 1 0 409.538 2.765 20 0 HFADRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000793247073 1078109970 /nfs/dbraw/zinc/10/99/70/1078109970.db2.gz MGYDFNPKOBCXJH-NRFANRHFSA-N 1 0 411.550 2.711 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793255660 1078111629 /nfs/dbraw/zinc/11/16/29/1078111629.db2.gz RFGVJWMRBTWXAC-FHWLQOOXSA-N 1 0 409.571 2.735 20 0 HFADRO C[C@H](NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1nnnn1C1CC1 ZINC000790726649 1078116971 /nfs/dbraw/zinc/11/69/71/1078116971.db2.gz IIIQOCHGKJJBNS-KRWDZBQOSA-N 1 0 409.538 2.767 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000793292109 1078120496 /nfs/dbraw/zinc/12/04/96/1078120496.db2.gz YNUOGYCGTKCWAY-HZPDHXFCSA-N 1 0 400.425 2.789 20 0 HFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(CC(F)(F)F)cc1 ZINC000790849527 1078147727 /nfs/dbraw/zinc/14/77/27/1078147727.db2.gz DFRSLPINICZURG-INIZCTEOSA-N 1 0 406.470 2.713 20 0 HFADRO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC(c4cccnc4)=NO3)CC[N@@H+]2C2CC2)c1 ZINC000790857420 1078152513 /nfs/dbraw/zinc/15/25/13/1078152513.db2.gz OSKKGONOTHPVJV-ILWGZMRPSA-N 1 0 406.486 2.677 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793374276 1078152888 /nfs/dbraw/zinc/15/28/88/1078152888.db2.gz LZIOHWNHUZGBNQ-ZDXQCDESSA-N 1 0 409.530 2.830 20 0 HFADRO C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC000793374477 1078152926 /nfs/dbraw/zinc/15/29/26/1078152926.db2.gz NVQPBJOFQGGEOX-GOSISDBHSA-N 1 0 405.539 2.889 20 0 HFADRO C[C@H](NC(=O)c1nc(Br)ccc1Br)C1=CC[N@H+](C)CC1 ZINC000790867565 1078164092 /nfs/dbraw/zinc/16/40/92/1078164092.db2.gz UWRDZQOBTRYZDZ-VIFPVBQESA-N 1 0 403.118 2.987 20 0 HFADRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CC(c2cccnc2)=NO1 ZINC000790884014 1078170318 /nfs/dbraw/zinc/17/03/18/1078170318.db2.gz QJDNVUARFYAXNN-ADYITMSISA-N 1 0 404.514 2.992 20 0 HFADRO CC[NH+](CC)CCOCCNC(=O)c1nc(Br)ccc1Br ZINC000790886540 1078171065 /nfs/dbraw/zinc/17/10/65/1078171065.db2.gz YVOJATBUAPLYCM-UHFFFAOYSA-N 1 0 423.149 2.695 20 0 HFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793416777 1078177089 /nfs/dbraw/zinc/17/70/89/1078177089.db2.gz IGCWQBFSLYFPSE-SLFFLAALSA-N 1 0 410.518 2.521 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)CC[C@@]3(C)CCC(=O)N3)c(C(F)(F)F)c2)CC1 ZINC000793480133 1078187965 /nfs/dbraw/zinc/18/79/65/1078187965.db2.gz SHGFDAQAZOMNPI-IBGZPJMESA-N 1 0 412.456 2.845 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)CCC(=O)N2CCOc3ccccc32)cc1 ZINC000793514501 1078196648 /nfs/dbraw/zinc/19/66/48/1078196648.db2.gz DHJRFPGKCVQLPJ-LJQANCHMSA-N 1 0 411.502 2.620 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793492252 1078200418 /nfs/dbraw/zinc/20/04/18/1078200418.db2.gz BXRGSBGEPFEDNK-ROUUACIJSA-N 1 0 410.603 2.506 20 0 HFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(F)(F)Cc2ccccc2)CC1 ZINC000793492707 1078201032 /nfs/dbraw/zinc/20/10/32/1078201032.db2.gz GQJXXAITFBSSSU-UHFFFAOYSA-N 1 0 409.521 2.951 20 0 HFADRO C[C@H](CNC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000793494693 1078202004 /nfs/dbraw/zinc/20/20/04/1078202004.db2.gz WSQLKIIRWWYLHL-QGZVFWFLSA-N 1 0 416.566 2.740 20 0 HFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C(F)(F)Cc2ccccc2)CC1 ZINC000793499628 1078203863 /nfs/dbraw/zinc/20/38/63/1078203863.db2.gz TWVDKKBBJVNUDM-UHFFFAOYSA-N 1 0 407.505 2.705 20 0 HFADRO C[C@H](NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C(C)(C)C[NH+](C)C ZINC000793550784 1078208340 /nfs/dbraw/zinc/20/83/40/1078208340.db2.gz ALDACTKHCLQSKB-KFKAGJAMSA-N 1 0 412.534 2.671 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000793609491 1078227477 /nfs/dbraw/zinc/22/74/77/1078227477.db2.gz KUUVBHSXAUOQIP-XZOQPEGZSA-N 1 0 423.557 2.656 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000793609489 1078227518 /nfs/dbraw/zinc/22/75/18/1078227518.db2.gz KUUVBHSXAUOQIP-PKTZIBPZSA-N 1 0 423.557 2.656 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000793648274 1078241027 /nfs/dbraw/zinc/24/10/27/1078241027.db2.gz FYPUZFOJBCTAIZ-KGVIQGDOSA-N 1 0 409.530 2.525 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000793641262 1078238475 /nfs/dbraw/zinc/23/84/75/1078238475.db2.gz WKZBSYLKTIUFCI-YDHSSHFGSA-N 1 0 423.557 2.868 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2nnc(COc3ccccn3)n2CC1 ZINC001170436378 1078248835 /nfs/dbraw/zinc/24/88/35/1078248835.db2.gz HZBVAHSDOZDGFG-SFHVURJKSA-N 1 0 421.501 2.860 20 0 HFADRO CCN(C(=O)C(=O)N[C@@H](C)COc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793684929 1078255465 /nfs/dbraw/zinc/25/54/65/1078255465.db2.gz FPOPVRLBPLNPGJ-PZJWPPBQSA-N 1 0 409.530 2.693 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793687630 1078256766 /nfs/dbraw/zinc/25/67/66/1078256766.db2.gz PIRBIPGAEURXMC-GDBMZVCRSA-N 1 0 408.568 2.767 20 0 HFADRO C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000793689196 1078257125 /nfs/dbraw/zinc/25/71/25/1078257125.db2.gz KTJIVFRXGNRLBC-KXBFYZLASA-N 1 0 403.523 2.823 20 0 HFADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1Cn1ncc2cn(C)nc2c1=O ZINC000793726724 1078268203 /nfs/dbraw/zinc/26/82/03/1078268203.db2.gz YJZLGXLDDISFBA-JOCHJYFZSA-N 1 0 422.577 2.753 20 0 HFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747144789 1078262565 /nfs/dbraw/zinc/26/25/65/1078262565.db2.gz KLWBAIQCIIWQDP-UHFFFAOYSA-N 1 0 415.534 2.503 20 0 HFADRO Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793714590 1078262695 /nfs/dbraw/zinc/26/26/95/1078262695.db2.gz PYKPIKOVZSWEIL-FQEVSTJZSA-N 1 0 408.546 2.909 20 0 HFADRO COc1ccc(CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)[C@@H](C)C2CC2)cc1 ZINC000793716157 1078262974 /nfs/dbraw/zinc/26/29/74/1078262974.db2.gz XKYOSKOSUNZOFR-MSOLQXFVSA-N 1 0 401.551 2.813 20 0 HFADRO Cc1nc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000793718016 1078263921 /nfs/dbraw/zinc/26/39/21/1078263921.db2.gz ABYIZEYULMOQRM-AWEZNQCLSA-N 1 0 418.925 2.910 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[NH+](C)C)cc1 ZINC000793719584 1078265200 /nfs/dbraw/zinc/26/52/00/1078265200.db2.gz LXYIWTFRTYIQTA-XZOQPEGZSA-N 1 0 423.557 2.998 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000793727526 1078268706 /nfs/dbraw/zinc/26/87/06/1078268706.db2.gz UEQFASUNHSXSLG-HMXCVIKNSA-N 1 0 401.551 2.603 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCC(C)(C)c1ccccc1Br)[NH+]1CCCCC1 ZINC000793708984 1078277880 /nfs/dbraw/zinc/27/78/80/1078277880.db2.gz NKYYZIOQLVKFEW-OAHLLOKOSA-N 1 0 424.383 2.834 20 0 HFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)nc2)C1 ZINC000793695902 1078271819 /nfs/dbraw/zinc/27/18/19/1078271819.db2.gz BUQXRQZLADOOKC-WMZOPIPTSA-N 1 0 417.554 2.806 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)[NH+]1CCCCC1 ZINC000793697058 1078271941 /nfs/dbraw/zinc/27/19/41/1078271941.db2.gz GLJMMZKJOXMGGC-HOTGVXAUSA-N 1 0 405.514 2.782 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000793695675 1078271983 /nfs/dbraw/zinc/27/19/83/1078271983.db2.gz FBPGRWVAWJWAOA-OXQOHEQNSA-N 1 0 421.969 2.603 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793696894 1078272162 /nfs/dbraw/zinc/27/21/62/1078272162.db2.gz KQFFHCRYHSGTNF-FPOVZHCZSA-N 1 0 409.530 2.551 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21)[NH+]1CCCCC1 ZINC000793698391 1078272460 /nfs/dbraw/zinc/27/24/60/1078272460.db2.gz KAANTUBOAZWIHE-KDOFPFPSSA-N 1 0 409.477 2.772 20 0 HFADRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CC[C@@H](CS(C)(=O)=O)C2)c1=S ZINC000793697667 1078272682 /nfs/dbraw/zinc/27/26/82/1078272682.db2.gz LSABKOFEOYLQSM-HZPDHXFCSA-N 1 0 417.645 2.551 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000793701659 1078274348 /nfs/dbraw/zinc/27/43/48/1078274348.db2.gz OCWNPHRIYOZXCU-IBGZPJMESA-N 1 0 424.545 2.730 20 0 HFADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCC2CCCCCCC2)cc1 ZINC000793759002 1078279748 /nfs/dbraw/zinc/27/97/48/1078279748.db2.gz ZJAWZJBWVKYVOD-UHFFFAOYSA-N 1 0 403.567 2.762 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000793746335 1078288842 /nfs/dbraw/zinc/28/88/42/1078288842.db2.gz HRBDBIUPPULHGI-XZOQPEGZSA-N 1 0 423.557 2.991 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000793800000 1078302535 /nfs/dbraw/zinc/30/25/35/1078302535.db2.gz AQBHYYHSVXFWSD-RTBURBONSA-N 1 0 417.550 2.515 20 0 HFADRO CCOC(=O)c1nn(CN2CC[C@]3(CC[N@H+](C)C3)C2)c2ccc(Br)cc21 ZINC000793770035 1078306872 /nfs/dbraw/zinc/30/68/72/1078306872.db2.gz VUZZJZALRSKPKK-IBGZPJMESA-N 1 0 421.339 2.961 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793774903 1078308176 /nfs/dbraw/zinc/30/81/76/1078308176.db2.gz XPUPWEOPIFGWBC-UNMCSNQZSA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793774902 1078308210 /nfs/dbraw/zinc/30/82/10/1078308210.db2.gz XPUPWEOPIFGWBC-RBBKRZOGSA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793777061 1078308711 /nfs/dbraw/zinc/30/87/11/1078308711.db2.gz DCYGHTVEDOXQSB-CTNGQTDRSA-N 1 0 409.530 2.611 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccco1 ZINC000793843337 1078312291 /nfs/dbraw/zinc/31/22/91/1078312291.db2.gz JZVAOXQDUDJPAG-MSOLQXFVSA-N 1 0 403.910 2.716 20 0 HFADRO [NH2+]=C(NOCc1cccc(Br)n1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000793845963 1078313280 /nfs/dbraw/zinc/31/32/80/1078313280.db2.gz YMFDXTZKJAIPIZ-MRXNPFEDSA-N 1 0 405.296 2.744 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2nccn2C[C@@H](CN2CCCC2=O)C1 ZINC001170438554 1078322547 /nfs/dbraw/zinc/32/25/47/1078322547.db2.gz TYVOBYXIPWEXFV-OALUTQOASA-N 1 0 410.518 2.687 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000793855093 1078324435 /nfs/dbraw/zinc/32/44/35/1078324435.db2.gz XRZJVGCBIDMMBH-IEBWSBKVSA-N 1 0 415.559 2.641 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(c1ncccn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170438817 1078324668 /nfs/dbraw/zinc/32/46/68/1078324668.db2.gz VNTQDEWWEYPUOB-RBUKOAKNSA-N 1 0 410.518 2.944 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001170438954 1078325603 /nfs/dbraw/zinc/32/56/03/1078325603.db2.gz WMVLQSYGGAQKEA-UAFMIMERSA-N 1 0 400.519 2.553 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCc3nc(C)sc32)c1 ZINC000793863199 1078326792 /nfs/dbraw/zinc/32/67/92/1078326792.db2.gz CRPTWPRDFWSLOU-GOSISDBHSA-N 1 0 400.548 2.713 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)s1 ZINC000793865581 1078327322 /nfs/dbraw/zinc/32/73/22/1078327322.db2.gz NWMVGGQSBZODTR-INIZCTEOSA-N 1 0 415.559 2.507 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793905017 1078334084 /nfs/dbraw/zinc/33/40/84/1078334084.db2.gz ZCQXTOYEDCTNGF-OPYAIIAOSA-N 1 0 401.551 2.507 20 0 HFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000793909563 1078334875 /nfs/dbraw/zinc/33/48/75/1078334875.db2.gz HUVUIWSGRSJRHO-PJVZLEMVSA-N 1 0 421.607 2.645 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001170440380 1078349045 /nfs/dbraw/zinc/34/90/45/1078349045.db2.gz CLQNBANCAPZFMG-JRBPQWBISA-N 1 0 402.491 2.522 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793978683 1078350971 /nfs/dbraw/zinc/35/09/71/1078350971.db2.gz BHUXSBXWQFQVSI-AQNXPRMDSA-N 1 0 424.545 2.815 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001170443292 1078375638 /nfs/dbraw/zinc/37/56/38/1078375638.db2.gz OYXNCFZIGSCMTR-WZONZLPQSA-N 1 0 410.518 2.989 20 0 HFADRO COc1cc(NC(=O)c2ccccc2)c(C(=O)NCC[N@H+]2CC=CCC2)cc1OC ZINC000794117972 1078374477 /nfs/dbraw/zinc/37/44/77/1078374477.db2.gz HMUSSJBROWZWGR-UHFFFAOYSA-N 1 0 409.486 2.948 20 0 HFADRO Cc1cc(Cn2nnc(C(=O)Nc3ccc(N(C)C4CC[NH+](C)CC4)cc3)c2C)on1 ZINC000794241474 1078391004 /nfs/dbraw/zinc/39/10/04/1078391004.db2.gz HDVBWWHPGAYJQD-UHFFFAOYSA-N 1 0 423.521 2.714 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000794210410 1078393885 /nfs/dbraw/zinc/39/38/85/1078393885.db2.gz RQYWOLVQXOAZIF-OBFZPWGMSA-N 1 0 403.498 2.870 20 0 HFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000794218198 1078395464 /nfs/dbraw/zinc/39/54/64/1078395464.db2.gz VAQXUXAFZNTDKU-GOSISDBHSA-N 1 0 424.611 2.655 20 0 HFADRO O=C(CCCC[NH+]1CCCC1)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000794357334 1078424649 /nfs/dbraw/zinc/42/46/49/1078424649.db2.gz QOZCEUQORQZUDC-SFHVURJKSA-N 1 0 408.340 2.715 20 0 HFADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794367870 1078427363 /nfs/dbraw/zinc/42/73/63/1078427363.db2.gz WZRWKSDUIMFVGU-MRXNPFEDSA-N 1 0 401.548 2.593 20 0 HFADRO C[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000794411863 1078433419 /nfs/dbraw/zinc/43/34/19/1078433419.db2.gz OLCJBXRSSYZUSB-GJZGRUSLSA-N 1 0 407.461 2.774 20 0 HFADRO C[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000794411869 1078433591 /nfs/dbraw/zinc/43/35/91/1078433591.db2.gz OLCJBXRSSYZUSB-LSDHHAIUSA-N 1 0 407.461 2.774 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(F)(F)F ZINC001129797169 1078473859 /nfs/dbraw/zinc/47/38/59/1078473859.db2.gz RZLHENSNBPRHDA-AWEZNQCLSA-N 1 0 413.400 2.843 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000747204149 1078473890 /nfs/dbraw/zinc/47/38/90/1078473890.db2.gz LUIAACRAQJZMMM-MSOLQXFVSA-N 1 0 415.563 2.766 20 0 HFADRO O=C1[C@@H]([N@@H+]2CCC[C@H](N3CCOCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC001170451827 1078506579 /nfs/dbraw/zinc/50/65/79/1078506579.db2.gz OEXURPKDEHBKMW-HKUYNNGSSA-N 1 0 409.477 2.580 20 0 HFADRO C[C@](O)(CC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000804447534 1078515069 /nfs/dbraw/zinc/51/50/69/1078515069.db2.gz FMIUSTNKJPPLMU-ZCYQVOJMSA-N 1 0 407.558 2.703 20 0 HFADRO O=C(c1ccnc(Cl)c1F)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446881 1078512831 /nfs/dbraw/zinc/51/28/31/1078512831.db2.gz QAVYZDTXQGXVOQ-QGZVFWFLSA-N 1 0 402.901 2.906 20 0 HFADRO CNc1cc(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc(Cl)n1 ZINC000804446677 1078513195 /nfs/dbraw/zinc/51/31/95/1078513195.db2.gz AEBGXIRQCQYWQK-IBGZPJMESA-N 1 0 413.953 2.809 20 0 HFADRO C[N@H+](CCCCNC(=O)CCNC(=O)c1cc(F)ccc1Br)C1CC1 ZINC001129515363 1078527852 /nfs/dbraw/zinc/52/78/52/1078527852.db2.gz JGMBGAHKMFWURP-UHFFFAOYSA-N 1 0 414.319 2.699 20 0 HFADRO C[NH+]1CCC(CNC(=O)CCc2ccc(Cl)cc2Cl)(N2CCOCC2)CC1 ZINC001129848271 1078531520 /nfs/dbraw/zinc/53/15/20/1078531520.db2.gz SDBVNXQRQBFIGC-UHFFFAOYSA-N 1 0 414.377 2.839 20 0 HFADRO C[NH+]1CCC(CNC(=O)CCc2c(Cl)cccc2Cl)(N2CCOCC2)CC1 ZINC001129850164 1078532784 /nfs/dbraw/zinc/53/27/84/1078532784.db2.gz BFHQXWVUYNDXGT-UHFFFAOYSA-N 1 0 414.377 2.839 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000804696091 1078537609 /nfs/dbraw/zinc/53/76/09/1078537609.db2.gz DZZMKCQBGTUZCW-PXNSSMCTSA-N 1 0 409.530 2.742 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC[C@](C)(O)c1ccccc1)c1ccccc1 ZINC000804696141 1078537663 /nfs/dbraw/zinc/53/76/63/1078537663.db2.gz GUXMYQYPYWDLIC-UUOWRZLLSA-N 1 0 411.546 2.646 20 0 HFADRO O=C(NCc1ccc2c[nH+]cn2c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC001129554378 1078544919 /nfs/dbraw/zinc/54/49/19/1078544919.db2.gz SADKMIHLAYBNTI-UHFFFAOYSA-N 1 0 416.478 2.578 20 0 HFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3csc(-c4ccccn4)n3)cn2)CC1 ZINC000747210997 1078554674 /nfs/dbraw/zinc/55/46/74/1078554674.db2.gz VYSWEGZGXRRPAF-UHFFFAOYSA-N 1 0 408.531 2.672 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000804514978 1078556012 /nfs/dbraw/zinc/55/60/12/1078556012.db2.gz PLVNXHGWMNLUJH-QHCPKHFHSA-N 1 0 408.546 2.728 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455330 1078556885 /nfs/dbraw/zinc/55/68/85/1078556885.db2.gz HXSXEIMAFYULLI-KSFYIVLOSA-N 1 0 420.506 2.879 20 0 HFADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)CN1CCCC2(CC2)S1(=O)=O ZINC001129572175 1078564868 /nfs/dbraw/zinc/56/48/68/1078564868.db2.gz QONVJVCKIYGTMM-GOSISDBHSA-N 1 0 407.580 2.545 20 0 HFADRO COCC1(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804525729 1078565283 /nfs/dbraw/zinc/56/52/83/1078565283.db2.gz CIMHOTHVAVGGLT-ZWKOTPCHSA-N 1 0 409.571 2.735 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1c1cc(N2CCCC[C@H]2CO)ncn1)C(=O)OC(C)(C)C ZINC000804704105 1078570520 /nfs/dbraw/zinc/57/05/20/1078570520.db2.gz DATDGXYDKUCXIP-ULQDDVLXSA-N 1 0 423.533 2.612 20 0 HFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C1 ZINC000804533923 1078571429 /nfs/dbraw/zinc/57/14/29/1078571429.db2.gz JWGRAAKKRMTECZ-UHFFFAOYSA-N 1 0 409.511 2.838 20 0 HFADRO O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804534191 1078571505 /nfs/dbraw/zinc/57/15/05/1078571505.db2.gz DUKIRANLYKIXMI-XLIONFOSSA-N 1 0 409.452 2.664 20 0 HFADRO COCCCN(C(=O)[C@@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001129600345 1078574250 /nfs/dbraw/zinc/57/42/50/1078574250.db2.gz LWMPCEOFJMOHRC-AEFFLSMTSA-N 1 0 415.550 2.541 20 0 HFADRO CC(=O)N[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC001129914341 1078583113 /nfs/dbraw/zinc/58/31/13/1078583113.db2.gz PNETUOQLITXCDM-QGZVFWFLSA-N 1 0 410.356 2.959 20 0 HFADRO Cc1cc(=O)c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)nn1-c1ccccc1F ZINC001129585955 1078584156 /nfs/dbraw/zinc/58/41/56/1078584156.db2.gz YBSVORPYEPDWGH-UHFFFAOYSA-N 1 0 414.506 2.946 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000804775375 1078600945 /nfs/dbraw/zinc/60/09/45/1078600945.db2.gz GYYIYYHMMRYVBV-HNNXBMFYSA-N 1 0 415.987 2.975 20 0 HFADRO C[N@H+](CCCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC001129628302 1078601442 /nfs/dbraw/zinc/60/14/42/1078601442.db2.gz LKUUQEVJFCMJQH-AWEZNQCLSA-N 1 0 408.340 2.793 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C ZINC000804565876 1078601490 /nfs/dbraw/zinc/60/14/90/1078601490.db2.gz HCRZYWUMPFZFRF-HEHNFIMWSA-N 1 0 412.538 2.713 20 0 HFADRO CN(C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564027 1078598806 /nfs/dbraw/zinc/59/88/06/1078598806.db2.gz IRSMUORREHCLHC-JVXMTQNBSA-N 1 0 403.498 2.821 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000804775906 1078601945 /nfs/dbraw/zinc/60/19/45/1078601945.db2.gz QQBDOIWEQZGEPJ-HNNXBMFYSA-N 1 0 406.577 2.919 20 0 HFADRO CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000804759786 1078610652 /nfs/dbraw/zinc/61/06/52/1078610652.db2.gz APUZNNKPTRVMAA-VQTJNVASSA-N 1 0 420.598 2.547 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(C1CC[NH2+]CC1)S(=O)(=O)c1ccccn1 ZINC001170456930 1078616327 /nfs/dbraw/zinc/61/63/27/1078616327.db2.gz WKGDIKJRKKIIGY-KRWDZBQOSA-N 1 0 417.531 2.574 20 0 HFADRO COC(=O)c1sc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000804808447 1078637526 /nfs/dbraw/zinc/63/75/26/1078637526.db2.gz UHDAEEPFMBGVGO-INIZCTEOSA-N 1 0 420.966 2.980 20 0 HFADRO CCC1([NH+]2CCCC2)CCN(C(=O)c2cn(C)nc2I)CC1 ZINC001170467163 1078628559 /nfs/dbraw/zinc/62/85/59/1078628559.db2.gz GQQVWCHEKFNEPO-UHFFFAOYSA-N 1 0 416.307 2.505 20 0 HFADRO O=C(Nc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1)Nc1ccccc1 ZINC000747214717 1078634469 /nfs/dbraw/zinc/63/44/69/1078634469.db2.gz AQXRGNIPXRPLFN-JKSUJKDBSA-N 1 0 400.504 2.985 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)cc1 ZINC001129647099 1078635812 /nfs/dbraw/zinc/63/58/12/1078635812.db2.gz LPIILUZDJRWYSH-AZUAARDMSA-N 1 0 400.523 2.791 20 0 HFADRO CC1(C)OC(=O)c2c1ccnc2N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804807245 1078636869 /nfs/dbraw/zinc/63/68/69/1078636869.db2.gz CYJQEYKJDLJORS-IBGZPJMESA-N 1 0 406.530 2.884 20 0 HFADRO COC[C@@]1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCN1C(=O)OC(C)(C)C ZINC000804786533 1078641144 /nfs/dbraw/zinc/64/11/44/1078641144.db2.gz CEYVJTOPWAOXKG-QFIPXVFZSA-N 1 0 405.539 2.894 20 0 HFADRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001129680126 1078644163 /nfs/dbraw/zinc/64/41/63/1078644163.db2.gz VSMKTOMUEMBAKH-IBGZPJMESA-N 1 0 407.580 2.724 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC001129680327 1078644852 /nfs/dbraw/zinc/64/48/52/1078644852.db2.gz WIMVQRUSVUTODT-MRXNPFEDSA-N 1 0 411.344 2.902 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000747216874 1078659766 /nfs/dbraw/zinc/65/97/66/1078659766.db2.gz AXZBWDLPNJKUCN-XLIONFOSSA-N 1 0 424.467 2.822 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(Cn2cncn2)c1 ZINC001129970887 1078664536 /nfs/dbraw/zinc/66/45/36/1078664536.db2.gz JLIYVTOTHZCXPA-DHIUTWEWSA-N 1 0 419.529 2.593 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cn1nc(C(F)(F)F)cc1C ZINC001129971172 1078665238 /nfs/dbraw/zinc/66/52/38/1078665238.db2.gz WXVZSMCIJDWMCI-QZTJIDSGSA-N 1 0 424.467 2.864 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000804828792 1078667187 /nfs/dbraw/zinc/66/71/87/1078667187.db2.gz ANCDTOSPDUIQBK-KNQAVFIVSA-N 1 0 422.573 2.786 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000804828263 1078668302 /nfs/dbraw/zinc/66/83/02/1078668302.db2.gz LWDDVNBXKHXTAT-JOCHJYFZSA-N 1 0 422.573 2.882 20 0 HFADRO Cc1cccc2[nH]cc(CCNC(=O)C(=O)N(CCc3ccccc3)CC[NH+](C)C)c21 ZINC000804622103 1078671667 /nfs/dbraw/zinc/67/16/67/1078671667.db2.gz RULGGQBZEHVYDX-UHFFFAOYSA-N 1 0 420.557 2.768 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000804832714 1078672257 /nfs/dbraw/zinc/67/22/57/1078672257.db2.gz VTNNZWCVJIWASD-GHTZIAJQSA-N 1 0 408.546 2.538 20 0 HFADRO C[NH+]1CCC(CNC(=O)C2(c3cccc(F)c3)CCCC2)(N2CCOCC2)CC1 ZINC001129720148 1078672726 /nfs/dbraw/zinc/67/27/26/1078672726.db2.gz KSKMLGSAGLTSGM-UHFFFAOYSA-N 1 0 403.542 2.550 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000804832128 1078672808 /nfs/dbraw/zinc/67/28/08/1078672808.db2.gz WJTIJENWTYCSJF-HXUWFJFHSA-N 1 0 414.594 2.874 20 0 HFADRO O=C(CCN1CCCS1(=O)=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001129721248 1078673266 /nfs/dbraw/zinc/67/32/66/1078673266.db2.gz AUZNZRHNMWXWKK-UHFFFAOYSA-N 1 0 413.971 2.585 20 0 HFADRO CCC[NH+]1CCC(NC(=O)NC[C@@]2(COC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000804871725 1078694180 /nfs/dbraw/zinc/69/41/80/1078694180.db2.gz SBVQSNZLNZPWBY-OAQYLSRUSA-N 1 0 412.575 2.576 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000804644605 1078697174 /nfs/dbraw/zinc/69/71/74/1078697174.db2.gz KTAVKLWLUWTCQM-OPJGWUQDSA-N 1 0 423.557 2.570 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643903 1078698357 /nfs/dbraw/zinc/69/83/57/1078698357.db2.gz SPRNFSJDDCTOJL-LPHOPBHVSA-N 1 0 414.937 2.563 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000804643935 1078698676 /nfs/dbraw/zinc/69/86/76/1078698676.db2.gz UASUUXQWIHFKJS-RXVVDRJESA-N 1 0 411.521 2.996 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000804877496 1078701190 /nfs/dbraw/zinc/70/11/90/1078701190.db2.gz IYXLLHOTLPGOSV-UHFFFAOYSA-N 1 0 402.539 2.950 20 0 HFADRO C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCc2ccccc21 ZINC001129742589 1078714525 /nfs/dbraw/zinc/71/45/25/1078714525.db2.gz LOMZYIWBVQUTDL-RUZDIDTESA-N 1 0 405.542 2.904 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000804890358 1078748457 /nfs/dbraw/zinc/74/84/57/1078748457.db2.gz OQASHOAEFCHMBK-BESKYLIDSA-N 1 0 415.921 2.506 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000804952090 1078779906 /nfs/dbraw/zinc/77/99/06/1078779906.db2.gz IJPQWOLDEAHNQP-ZEQRLZLVSA-N 1 0 424.589 2.960 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000804949607 1078778152 /nfs/dbraw/zinc/77/81/52/1078778152.db2.gz UOVOTPOYSAHFOH-XMMPIXPASA-N 1 0 424.589 2.919 20 0 HFADRO O=C(NCCSC(F)(F)F)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804962045 1078801224 /nfs/dbraw/zinc/80/12/24/1078801224.db2.gz UDHRNWOUPZDRSZ-QGZVFWFLSA-N 1 0 416.513 2.841 20 0 HFADRO COCCOCCOCCOCCNc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001170473067 1078808078 /nfs/dbraw/zinc/80/80/78/1078808078.db2.gz FAHACJJJUNQMPY-UHFFFAOYSA-N 1 0 419.566 2.914 20 0 HFADRO O=S(=O)(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cnc(Cl)c(F)c1 ZINC000804993774 1078844598 /nfs/dbraw/zinc/84/45/98/1078844598.db2.gz VGDYCFHWXMPFJC-UHFFFAOYSA-N 1 0 413.902 2.827 20 0 HFADRO O=C(Cn1cc(Br)cn1)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001130042836 1078845040 /nfs/dbraw/zinc/84/50/40/1078845040.db2.gz SJVAELFAGRFLMN-MJGOQNOKSA-N 1 0 403.324 2.914 20 0 HFADRO Cc1nc(S(=O)(=O)N(CC[NH+](C)C)CC2CCCCC2)c(Br)n1C ZINC000805009148 1078854096 /nfs/dbraw/zinc/85/40/96/1078854096.db2.gz XZTHBSNTKFLEOX-UHFFFAOYSA-N 1 0 421.405 2.624 20 0 HFADRO CC(C)N(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130057687 1078881008 /nfs/dbraw/zinc/88/10/08/1078881008.db2.gz LRJNFOLYYYSVEJ-JTHBVZDNSA-N 1 0 420.557 2.942 20 0 HFADRO Cc1nc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(Br)n1C ZINC000805087787 1078916134 /nfs/dbraw/zinc/91/61/34/1078916134.db2.gz PMFADSALXKOFIO-AWEZNQCLSA-N 1 0 419.389 2.566 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000805089431 1078916936 /nfs/dbraw/zinc/91/69/36/1078916936.db2.gz PRUKUIPPCLBZMQ-QGZVFWFLSA-N 1 0 417.472 2.927 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000805123897 1078921962 /nfs/dbraw/zinc/92/19/62/1078921962.db2.gz UCCBDJUBLAETAF-KRWDZBQOSA-N 1 0 405.392 2.524 20 0 HFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCOc1ccccc1I ZINC001130098025 1078948038 /nfs/dbraw/zinc/94/80/38/1078948038.db2.gz JGXFZZRMQFWVSR-ZDUSSCGKSA-N 1 0 402.276 2.613 20 0 HFADRO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001130099494 1078949954 /nfs/dbraw/zinc/94/99/54/1078949954.db2.gz VKHJMHOJQFYNCN-FQEVSTJZSA-N 1 0 421.607 2.890 20 0 HFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747231760 1078950724 /nfs/dbraw/zinc/95/07/24/1078950724.db2.gz NNZJWXIYTMIOKQ-IACUBPJLSA-N 1 0 417.731 2.849 20 0 HFADRO CN(CCN(CC[NH+]1CCCC1)C(=O)/C=C\c1ccco1)C(=O)/C=C/c1ccco1 ZINC000805201177 1078953143 /nfs/dbraw/zinc/95/31/43/1078953143.db2.gz AEZKQKCPLQQHDO-GOOGBFEESA-N 1 0 411.502 2.982 20 0 HFADRO C[C@H](OCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)c1nccn1C ZINC000805178528 1078963936 /nfs/dbraw/zinc/96/39/36/1078963936.db2.gz DPAHOJFFLADRPF-HNNXBMFYSA-N 1 0 403.502 2.806 20 0 HFADRO COC(=O)c1cnc([C@H](C)NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)s1 ZINC001130117226 1078987063 /nfs/dbraw/zinc/98/70/63/1078987063.db2.gz DEUPGOHULMFAHA-YHAOYDPOSA-N 1 0 403.504 2.761 20 0 HFADRO CCCCCCn1nc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2c1=O ZINC000747236311 1078994773 /nfs/dbraw/zinc/99/47/73/1078994773.db2.gz LIUDQTLXFLOLJS-ROUUACIJSA-N 1 0 412.534 2.570 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000747237939 1078997419 /nfs/dbraw/zinc/99/74/19/1078997419.db2.gz NOKHZGPEPHSLQM-YXAHYSCSSA-N 1 0 414.527 2.988 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805274953 1079004620 /nfs/dbraw/zinc/00/46/20/1079004620.db2.gz XMXTYDWIQCKRJB-FXAWDEMLSA-N 1 0 402.539 2.675 20 0 HFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1 ZINC000805279598 1079006338 /nfs/dbraw/zinc/00/63/38/1079006338.db2.gz MLLOEKNNHODBRD-UHFFFAOYSA-N 1 0 415.987 2.975 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000805279500 1079006673 /nfs/dbraw/zinc/00/66/73/1079006673.db2.gz LCIPFBLLAPHLEQ-RTBURBONSA-N 1 0 405.564 2.804 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000805331194 1079021365 /nfs/dbraw/zinc/02/13/65/1079021365.db2.gz HHEAYQVOJBBGMZ-KSSFIOAISA-N 1 0 411.955 2.579 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000805316124 1079015767 /nfs/dbraw/zinc/01/57/67/1079015767.db2.gz IARASILZUUMSJR-QFIPXVFZSA-N 1 0 402.539 2.819 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000805336074 1079024304 /nfs/dbraw/zinc/02/43/04/1079024304.db2.gz DARKKRWCRZSYMU-HRAATJIYSA-N 1 0 418.497 2.790 20 0 HFADRO CC(C)(C)OC(=O)Cn1cnc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001130198069 1079066549 /nfs/dbraw/zinc/06/65/49/1079066549.db2.gz ZKCVWQDQAPLEDY-UHFFFAOYSA-N 1 0 413.522 2.861 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCCCC2)c(Cl)cc1Cl ZINC000747241728 1079056782 /nfs/dbraw/zinc/05/67/82/1079056782.db2.gz PNGOVKOMEMAPFY-UHFFFAOYSA-N 1 0 409.335 2.934 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000805426973 1079058621 /nfs/dbraw/zinc/05/86/21/1079058621.db2.gz KAMXKIADJRHKMO-AWEZNQCLSA-N 1 0 401.960 2.585 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000805434769 1079063006 /nfs/dbraw/zinc/06/30/06/1079063006.db2.gz ZLLDIVZIZRLULO-CRAIPNDOSA-N 1 0 405.461 2.921 20 0 HFADRO O=C(NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001130223194 1079105824 /nfs/dbraw/zinc/10/58/24/1079105824.db2.gz QFWCNVBXBHVNKN-FKSLSLAPSA-N 1 0 401.555 2.509 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCOc2ccc(SC)cc2)CC1=O ZINC000805542172 1079130945 /nfs/dbraw/zinc/13/09/45/1079130945.db2.gz IGBMAGFGZZWRCD-DLBZAZTESA-N 1 0 406.548 2.663 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)cc1 ZINC001130273271 1079168096 /nfs/dbraw/zinc/16/80/96/1079168096.db2.gz PMZRPHBLJLYTML-JQCPSUHGSA-N 1 0 421.541 2.805 20 0 HFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)C1 ZINC001130300781 1079192181 /nfs/dbraw/zinc/19/21/81/1079192181.db2.gz DIYYXOOMQJITHL-QMMLZNLJSA-N 1 0 419.591 2.854 20 0 HFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)C1 ZINC001130300778 1079192213 /nfs/dbraw/zinc/19/22/13/1079192213.db2.gz DIYYXOOMQJITHL-JRGCBEDISA-N 1 0 419.591 2.854 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)C1 ZINC000805636742 1079190226 /nfs/dbraw/zinc/19/02/26/1079190226.db2.gz BGMGXITUNRRXDC-PKOBYXMFSA-N 1 0 417.598 2.974 20 0 HFADRO Cc1cccc(C)c1CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000805678568 1079215956 /nfs/dbraw/zinc/21/59/56/1079215956.db2.gz IZBCXHAGJJFSRK-UHFFFAOYSA-N 1 0 409.530 2.711 20 0 HFADRO C[C@@H](OC(=O)c1cc(-n2cccc2)ccn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000805711392 1079232431 /nfs/dbraw/zinc/23/24/31/1079232431.db2.gz JPYBGSVYKPAMEM-UYAOXDASSA-N 1 0 418.497 2.808 20 0 HFADRO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C)C2=O ZINC001130369730 1079268214 /nfs/dbraw/zinc/26/82/14/1079268214.db2.gz IJUJVJMSUSZRRK-RLRFGTRLSA-N 1 0 420.598 2.843 20 0 HFADRO C[C@@H]1[C@H](C)N(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H](C)C[N@@H+]1C ZINC001130370448 1079269870 /nfs/dbraw/zinc/26/98/70/1079269870.db2.gz OLWYKSSIXFLEQP-OTWHNJEPSA-N 1 0 421.607 2.733 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805826663 1079295716 /nfs/dbraw/zinc/29/57/16/1079295716.db2.gz GMSSFTJVEVJHQN-NRFANRHFSA-N 1 0 422.614 2.889 20 0 HFADRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000805822461 1079293416 /nfs/dbraw/zinc/29/34/16/1079293416.db2.gz SHVRMHOBTSSCDT-SFHVURJKSA-N 1 0 401.894 2.884 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000805831804 1079300270 /nfs/dbraw/zinc/30/02/70/1079300270.db2.gz RWRCETKLMDGKPU-HXUWFJFHSA-N 1 0 402.539 2.910 20 0 HFADRO O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000805872390 1079314130 /nfs/dbraw/zinc/31/41/30/1079314130.db2.gz OJPVWWVGAMWUJJ-UHFFFAOYSA-N 1 0 407.470 2.945 20 0 HFADRO CC[C@@]1(c2ccc(OC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)NC(=O)NC1=O ZINC000805892563 1079323542 /nfs/dbraw/zinc/32/35/42/1079323542.db2.gz KXYBXVYTRQPYOT-QHCPKHFHSA-N 1 0 407.470 2.946 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)CCC2 ZINC000805942333 1079345233 /nfs/dbraw/zinc/34/52/33/1079345233.db2.gz IWAKHSYBJCGOCA-KSSFIOAISA-N 1 0 400.548 2.582 20 0 HFADRO CCC(CC)(CNC(=O)C(=O)NC[C@@H]1CSCCS1)[NH2+][C@H](C)c1ccccc1 ZINC000805945784 1079346350 /nfs/dbraw/zinc/34/63/50/1079346350.db2.gz IASRDPYOLDKXAM-SJLPKXTDSA-N 1 0 423.648 2.977 20 0 HFADRO COC(=O)[C@@]1(NC(=O)C[C@@H]2OCc3ccccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC001130448183 1079349360 /nfs/dbraw/zinc/34/93/60/1079349360.db2.gz LPWQGRKCQSIMPU-XUZZJYLKSA-N 1 0 408.498 2.972 20 0 HFADRO CCO[C@H](C(=O)N[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001130448373 1079349672 /nfs/dbraw/zinc/34/96/72/1079349672.db2.gz RSYKDVYVGHJWDT-REWPJTCUSA-N 1 0 402.535 2.906 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1F ZINC000747282290 1079355588 /nfs/dbraw/zinc/35/55/88/1079355588.db2.gz MRTNWKKDHQRDGN-INIZCTEOSA-N 1 0 406.479 2.507 20 0 HFADRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CCCO1 ZINC000762315369 1079377878 /nfs/dbraw/zinc/37/78/78/1079377878.db2.gz BWMNKJFQIYMRPZ-CYBMUJFWSA-N 1 0 415.918 2.807 20 0 HFADRO COC(=O)c1cc2ncoc2c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1 ZINC001170496647 1079401539 /nfs/dbraw/zinc/40/15/39/1079401539.db2.gz XUWXEYJWTLHNTJ-QQFBHYJXSA-N 1 0 422.485 2.986 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000806039704 1079410497 /nfs/dbraw/zinc/41/04/97/1079410497.db2.gz UNUXPPCIYYJJMS-WMZOPIPTSA-N 1 0 409.958 2.994 20 0 HFADRO CCc1ncc(Cl)c(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001130527162 1079435990 /nfs/dbraw/zinc/43/59/90/1079435990.db2.gz ANVHXZJXDWRZDT-MSOLQXFVSA-N 1 0 400.910 2.808 20 0 HFADRO CN(CC[NH3+])CCNc1nc(Cl)nc2c1CN(Cc1ccccc1)CC2(F)F ZINC001170498767 1079443837 /nfs/dbraw/zinc/44/38/37/1079443837.db2.gz ZONLZRCDIGIYHT-UHFFFAOYSA-N 1 0 410.900 2.540 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 ZINC000806119705 1079447464 /nfs/dbraw/zinc/44/74/64/1079447464.db2.gz BGJFASUIJOKTCZ-OAHLLOKOSA-N 1 0 410.458 2.508 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@H](CCNC(C)=O)C3)cc2)CC1 ZINC000806154722 1079470567 /nfs/dbraw/zinc/47/05/67/1079470567.db2.gz JGQWGVPTMNIQDS-LJQANCHMSA-N 1 0 401.555 2.599 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000806173737 1079463377 /nfs/dbraw/zinc/46/33/77/1079463377.db2.gz MHNZXYQGSXSQHO-UHFFFAOYSA-N 1 0 412.556 2.598 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000806174608 1079463664 /nfs/dbraw/zinc/46/36/64/1079463664.db2.gz ZLXBSONQVMXPAW-UHOSZYNNSA-N 1 0 410.580 2.925 20 0 HFADRO CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000806174392 1079464148 /nfs/dbraw/zinc/46/41/48/1079464148.db2.gz WHLQGKKTBPUOBF-DNVCBOLYSA-N 1 0 420.535 2.681 20 0 HFADRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCCC[C@@H]2COC(=O)NC)CC1 ZINC000806154089 1079469162 /nfs/dbraw/zinc/46/91/62/1079469162.db2.gz BERIEXJLWREMRF-QGZVFWFLSA-N 1 0 403.527 2.571 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cnc(OCC(F)(F)F)cn3)cc2)CC1 ZINC001170501347 1079498575 /nfs/dbraw/zinc/49/85/75/1079498575.db2.gz ZWYNCWJQLZWYDU-WLYUNCDWSA-N 1 0 423.439 2.789 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300865 1076748595 /nfs/dbraw/zinc/74/85/95/1076748595.db2.gz WLWZRTPYTRJBJK-NHCUHLMSSA-N 1 0 424.589 2.670 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322288 1076766446 /nfs/dbraw/zinc/76/64/46/1076766446.db2.gz CZESIGJXWQVRAU-SQNIBIBYSA-N 1 0 424.586 2.717 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)cc1 ZINC000787350448 1076791422 /nfs/dbraw/zinc/79/14/22/1076791422.db2.gz BYFZPSUKDOOZRV-UHFFFAOYSA-N 1 0 405.520 2.963 20 0 HFADRO Cn1cc(C[C@@H]2CC[N@H+](CC(=O)Nc3ccccc3C(=O)NC3CCCC3)C2)cn1 ZINC000746677786 1076791716 /nfs/dbraw/zinc/79/17/16/1076791716.db2.gz HDHNDVYOFXNAPT-KRWDZBQOSA-N 1 0 409.534 2.596 20 0 HFADRO COCCOCCOCCOCCOCCOCC[NH2+][C@H](C)CCCC(C)C ZINC001170072595 1076803138 /nfs/dbraw/zinc/80/31/38/1076803138.db2.gz AMGXJXGDLKWIFV-OAQYLSRUSA-N 1 0 407.592 2.520 20 0 HFADRO CC(C)[S@@](=O)c1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc1 ZINC001170072603 1076803208 /nfs/dbraw/zinc/80/32/08/1076803208.db2.gz CMRABGLGINFHAY-HHHXNRCGSA-N 1 0 417.556 2.905 20 0 HFADRO C[C@@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C(C)(C)C[NH+](C)C ZINC000787387983 1076804293 /nfs/dbraw/zinc/80/42/93/1076804293.db2.gz QKHOJDSIUMMHOR-CABCVRRESA-N 1 0 407.559 2.840 20 0 HFADRO C[C@@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1=CC[N@H+](C)CC1 ZINC000787511918 1076831006 /nfs/dbraw/zinc/83/10/06/1076831006.db2.gz ZYEGEJGAGIOXBQ-ZBFHGGJFSA-N 1 0 403.527 2.514 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000787483559 1076842221 /nfs/dbraw/zinc/84/22/21/1076842221.db2.gz QWBCZXRDYVTHES-RTBURBONSA-N 1 0 412.578 2.910 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000787524453 1076847549 /nfs/dbraw/zinc/84/75/49/1076847549.db2.gz HNTSWQGJYXTCDW-UHFFFAOYSA-N 1 0 403.976 2.783 20 0 HFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529717 1076849715 /nfs/dbraw/zinc/84/97/15/1076849715.db2.gz KJNBZIXGLYTUFY-JKSUJKDBSA-N 1 0 405.543 2.737 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1 ZINC000787531209 1076849863 /nfs/dbraw/zinc/84/98/63/1076849863.db2.gz GCXZNIDBCGKQIA-UHFFFAOYSA-N 1 0 403.479 2.963 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000787534736 1076851697 /nfs/dbraw/zinc/85/16/97/1076851697.db2.gz VTZNGVSGEJQHHD-UHFFFAOYSA-N 1 0 401.960 2.538 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)Nc3cccc(N4CCCCC4)c3)n2)CC1 ZINC000787560677 1076865029 /nfs/dbraw/zinc/86/50/29/1076865029.db2.gz PSEACRBMAVVANG-UHFFFAOYSA-N 1 0 410.522 2.717 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000787584842 1076873895 /nfs/dbraw/zinc/87/38/95/1076873895.db2.gz LINJEFPDLZJDQM-UHFFFAOYSA-N 1 0 416.349 2.683 20 0 HFADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)[NH+]1CCC(C)CC1 ZINC000787616158 1076879575 /nfs/dbraw/zinc/87/95/75/1076879575.db2.gz LPGJSHSAXSAAOV-ZCNNSNEGSA-N 1 0 419.566 2.567 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)N[C@@H](C)COc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000787631194 1076883833 /nfs/dbraw/zinc/88/38/33/1076883833.db2.gz ISHJHFDQRXPWDZ-RXVVDRJESA-N 1 0 409.530 2.523 20 0 HFADRO [NH3+]CCN(c1ccc(OCC2CCC2)nc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170075354 1076884424 /nfs/dbraw/zinc/88/44/24/1076884424.db2.gz ZLNLUGWLMVZWDH-UHFFFAOYSA-N 1 0 412.515 2.963 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(NS(=O)(=O)/C=C/c4ccccc4)cc3)C[C@H]2C1 ZINC000787636092 1076886265 /nfs/dbraw/zinc/88/62/65/1076886265.db2.gz OVTNOOBNMDWCBV-APMBYPPYSA-N 1 0 411.527 2.733 20 0 HFADRO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674490 1076890006 /nfs/dbraw/zinc/89/00/06/1076890006.db2.gz HRILGBLJYYYGTJ-KBPBESRZSA-N 1 0 401.429 2.611 20 0 HFADRO Cc1cc2oc(=O)cc(C[NH+]3CCC(n4cnc(C(N)=O)c4N)CC3)c2cc1C(C)C ZINC000787676337 1076890271 /nfs/dbraw/zinc/89/02/71/1076890271.db2.gz MTDXTCSKAMONPC-UHFFFAOYSA-N 1 0 423.517 2.940 20 0 HFADRO CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000787652255 1076898117 /nfs/dbraw/zinc/89/81/17/1076898117.db2.gz LRSNTMLQHBEDGM-KRWDZBQOSA-N 1 0 411.468 2.869 20 0 HFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668850 1076905149 /nfs/dbraw/zinc/90/51/49/1076905149.db2.gz HPOAZHXSCLPLJI-RDJZCZTQSA-N 1 0 411.468 2.869 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000787679575 1076908935 /nfs/dbraw/zinc/90/89/35/1076908935.db2.gz TUZUDKZFCSCRMS-LJQANCHMSA-N 1 0 421.541 2.795 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000787710042 1076921318 /nfs/dbraw/zinc/92/13/18/1076921318.db2.gz ZPHSOUXREWXAHL-FCGDIQPGSA-N 1 0 421.607 2.647 20 0 HFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000787753394 1076927351 /nfs/dbraw/zinc/92/73/51/1076927351.db2.gz YLMPEWKVXXLYJI-KGLIPLIRSA-N 1 0 401.429 2.753 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)CCN1C(=O)OC(C)(C)C ZINC000787759415 1076929051 /nfs/dbraw/zinc/92/90/51/1076929051.db2.gz GELYJUGJHUJMHC-ULQDDVLXSA-N 1 0 412.527 2.593 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000787761557 1076930272 /nfs/dbraw/zinc/93/02/72/1076930272.db2.gz KTIBMXVYSYZCGM-UBHSHLNASA-N 1 0 406.449 2.847 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C2CC2)C1 ZINC000787763000 1076930482 /nfs/dbraw/zinc/93/04/82/1076930482.db2.gz TUYREMFANSWLNX-HYVNUMGLSA-N 1 0 421.504 2.875 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000787740968 1076937780 /nfs/dbraw/zinc/93/77/80/1076937780.db2.gz XQLFOYVJYTWTFA-PGRDOPGGSA-N 1 0 409.530 2.700 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000787871576 1076967914 /nfs/dbraw/zinc/96/79/14/1076967914.db2.gz BRFKRWYMGVZOKZ-RBUKOAKNSA-N 1 0 424.545 2.828 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1)[NH+]1CCCCC1 ZINC000787871575 1076967941 /nfs/dbraw/zinc/96/79/41/1076967941.db2.gz BRFKRWYMGVZOKZ-OALUTQOASA-N 1 0 424.545 2.828 20 0 HFADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787877832 1076973785 /nfs/dbraw/zinc/97/37/85/1076973785.db2.gz DIBVBBUUXOPEES-HZPDHXFCSA-N 1 0 405.543 2.737 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)C(=O)Nc3cc(C)cnc3Cl)CCCC2)CC1 ZINC000787884677 1076976705 /nfs/dbraw/zinc/97/67/05/1076976705.db2.gz WSDRUBZFJKQQRD-UHFFFAOYSA-N 1 0 408.930 2.522 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)cc1 ZINC000787887770 1076978837 /nfs/dbraw/zinc/97/88/37/1076978837.db2.gz YUOUFRZREXYXNJ-LJQANCHMSA-N 1 0 403.910 2.970 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](O)c2cccc(F)c2)cc1 ZINC000787890581 1076979567 /nfs/dbraw/zinc/97/95/67/1076979567.db2.gz PVIRMBSNIHDUKE-QRWLVFNGSA-N 1 0 401.482 2.844 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000787908003 1076990378 /nfs/dbraw/zinc/99/03/78/1076990378.db2.gz FWWIMHUNQCZVME-OAQYLSRUSA-N 1 0 414.594 2.662 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000787908995 1076991005 /nfs/dbraw/zinc/99/10/05/1076991005.db2.gz HDTSMWAXDVKSHH-ONTIZHBOSA-N 1 0 417.594 2.751 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000787913636 1076992650 /nfs/dbraw/zinc/99/26/50/1076992650.db2.gz WVNQQFMUVZMEBF-TZIWHRDSSA-N 1 0 403.567 2.505 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCCc2c(F)cccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000787917704 1076995099 /nfs/dbraw/zinc/99/50/99/1076995099.db2.gz OUMZGQWEABXBIM-QHCPKHFHSA-N 1 0 415.484 2.652 20 0 HFADRO C[C@H](NCc1cnc(C2OCCO2)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000787926814 1077000431 /nfs/dbraw/zinc/00/04/31/1077000431.db2.gz XNWJVYPIIDNEJR-AWEZNQCLSA-N 1 0 406.527 2.930 20 0 HFADRO Cc1c(C(=O)N2CCC23CC[NH+](C)CC3)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000787897901 1077003828 /nfs/dbraw/zinc/00/38/28/1077003828.db2.gz DGPUMMZZUAMEPR-UHFFFAOYSA-N 1 0 407.440 2.964 20 0 HFADRO COC(=O)c1cnc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C(F)(F)F ZINC000787900120 1077004174 /nfs/dbraw/zinc/00/41/74/1077004174.db2.gz XZMUOXSSYUAIDM-MGPQQGTHSA-N 1 0 401.429 2.965 20 0 HFADRO CC[C@H](NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000787956100 1077008334 /nfs/dbraw/zinc/00/83/34/1077008334.db2.gz JVQADJNWOSRKLS-INIZCTEOSA-N 1 0 400.445 2.613 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)CCN3C(=S)N=NC3c3cccs3)n2)CC1 ZINC000787963063 1077010746 /nfs/dbraw/zinc/01/07/46/1077010746.db2.gz UCPOPSWRKSWZPZ-UHFFFAOYSA-N 1 0 417.564 2.787 20 0 HFADRO O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCCC[NH+]1CCCC1 ZINC000787972424 1077013353 /nfs/dbraw/zinc/01/33/53/1077013353.db2.gz LDWXFQPDUKGRHK-UHFFFAOYSA-N 1 0 408.564 2.823 20 0 HFADRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787993796 1077021447 /nfs/dbraw/zinc/02/14/47/1077021447.db2.gz XVMWAYUZAZXOSX-IZIIKQMZSA-N 1 0 415.578 2.726 20 0 HFADRO C[C@H]1CCCC[C@H]1OCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787985221 1077032668 /nfs/dbraw/zinc/03/26/68/1077032668.db2.gz APUNLQYPAQWCLA-GHTZIAJQSA-N 1 0 407.599 2.859 20 0 HFADRO COc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1NC(=O)OC(C)(C)C ZINC000788036541 1077035982 /nfs/dbraw/zinc/03/59/82/1077035982.db2.gz JWUXEVHLKIUTGN-CABCVRRESA-N 1 0 422.526 2.961 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC000788038400 1077036190 /nfs/dbraw/zinc/03/61/90/1077036190.db2.gz BQTOUOCXGJCLLE-ZHRRBRCNSA-N 1 0 400.450 2.883 20 0 HFADRO O=C(OCc1ccccc1)N1CCC(CN2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000788022006 1077048391 /nfs/dbraw/zinc/04/83/91/1077048391.db2.gz KILFAOBATFPQKY-JOCHJYFZSA-N 1 0 401.551 2.689 20 0 HFADRO C[C@H](OC(=O)[C@H](C)N1CCc2ccccc21)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788137808 1077062553 /nfs/dbraw/zinc/06/25/53/1077062553.db2.gz NQRDZEMQTAARMF-CNNODRBYSA-N 1 0 421.541 2.760 20 0 HFADRO O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000746727966 1077064389 /nfs/dbraw/zinc/06/43/89/1077064389.db2.gz JEMQOGXEPBIRAZ-OAHLLOKOSA-N 1 0 401.429 2.937 20 0 HFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000788167328 1077073307 /nfs/dbraw/zinc/07/33/07/1077073307.db2.gz PAQUGBAJFQLIPR-UHFFFAOYSA-N 1 0 415.578 2.764 20 0 HFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)COc2ccc(C3SCCCS3)cc2)C1 ZINC000788210988 1077079872 /nfs/dbraw/zinc/07/98/72/1077079872.db2.gz XBQFRKXFABDXAX-FQEVSTJZSA-N 1 0 410.605 2.849 20 0 HFADRO COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)ccc1OCC(N)=O ZINC000788242681 1077085402 /nfs/dbraw/zinc/08/54/02/1077085402.db2.gz QSZGGGDWMIVULA-IAGOWNOFSA-N 1 0 421.538 2.875 20 0 HFADRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788247750 1077086211 /nfs/dbraw/zinc/08/62/11/1077086211.db2.gz IPRUIOHYVQCWBU-FHWLQOOXSA-N 1 0 410.603 2.745 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000788256651 1077087783 /nfs/dbraw/zinc/08/77/83/1077087783.db2.gz VVDVDMKKSOCHLQ-LEAZDLGRSA-N 1 0 419.566 2.736 20 0 HFADRO COc1ccc([C@@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)[NH+]2CCCC2)cc1 ZINC000788260774 1077088331 /nfs/dbraw/zinc/08/83/31/1077088331.db2.gz HFLVYPXCRBRRKX-QFBILLFUSA-N 1 0 410.522 2.525 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NOC[C@H]2CCOC2)ccc1Cl ZINC000788297112 1077090947 /nfs/dbraw/zinc/09/09/47/1077090947.db2.gz QCAZUUXCDGKYRB-AWEZNQCLSA-N 1 0 412.918 2.501 20 0 HFADRO Cc1sc(Br)nc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000788309029 1077093177 /nfs/dbraw/zinc/09/31/77/1077093177.db2.gz RHOWUJQIARCNEH-CHWSQXEVSA-N 1 0 402.358 2.712 20 0 HFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788288690 1077098713 /nfs/dbraw/zinc/09/87/13/1077098713.db2.gz RLYFKTWMOWJQLA-NHCUHLMSSA-N 1 0 422.529 2.569 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000788341301 1077111104 /nfs/dbraw/zinc/11/11/04/1077111104.db2.gz RLFUWSSZVRSUIS-UHFFFAOYSA-N 1 0 403.914 2.799 20 0 HFADRO O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788373172 1077132374 /nfs/dbraw/zinc/13/23/74/1077132374.db2.gz PWPWOXJYWCRZSS-UHFFFAOYSA-N 1 0 420.897 2.517 20 0 HFADRO COC(=O)/C=C\c1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c(OC)c1 ZINC000788421976 1077140297 /nfs/dbraw/zinc/14/02/97/1077140297.db2.gz MGEYPNCWNKHQMX-WQLSENKSSA-N 1 0 405.472 2.711 20 0 HFADRO Cc1ccc(O[C@@H](C)CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000788414214 1077157760 /nfs/dbraw/zinc/15/77/60/1077157760.db2.gz VMBZKCNYOCIYAH-CPJSRVTESA-N 1 0 423.557 2.907 20 0 HFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000788458907 1077166115 /nfs/dbraw/zinc/16/61/15/1077166115.db2.gz GICGKQJKUJDBAD-MOPGFXCFSA-N 1 0 415.559 2.541 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000788470177 1077169973 /nfs/dbraw/zinc/16/99/73/1077169973.db2.gz MLYNZONNNSCGEH-UHFFFAOYSA-N 1 0 420.573 2.886 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000788481949 1077174945 /nfs/dbraw/zinc/17/49/45/1077174945.db2.gz DPRFWRWSXVARKU-JOCHJYFZSA-N 1 0 407.558 2.856 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCCn2cnc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788503329 1077184523 /nfs/dbraw/zinc/18/45/23/1077184523.db2.gz NBPIYUPMQWSMJZ-IEBWSBKVSA-N 1 0 416.522 2.957 20 0 HFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCSC(F)(F)F)[C@H]1c1cccs1 ZINC000788543362 1077195351 /nfs/dbraw/zinc/19/53/51/1077195351.db2.gz UTOJPGWGLIIDEY-AAEUAGOBSA-N 1 0 409.499 2.616 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(OC)cc2OC)CCN1C(=O)OC(C)(C)C ZINC000788557950 1077200624 /nfs/dbraw/zinc/20/06/24/1077200624.db2.gz RUPCXGSBHNLSLU-AEFFLSMTSA-N 1 0 408.495 2.735 20 0 HFADRO O=C(CC1CCC2(CC1)OCCO2)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000788527329 1077203245 /nfs/dbraw/zinc/20/32/45/1077203245.db2.gz YQFGZDACOSICFC-NRFANRHFSA-N 1 0 402.535 2.583 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCCSC(F)(F)F ZINC000788529916 1077203842 /nfs/dbraw/zinc/20/38/42/1077203842.db2.gz VUINSOMJPLSFDC-FOLVSLTJSA-N 1 0 417.497 2.628 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCc2ccc(OC)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788586532 1077213494 /nfs/dbraw/zinc/21/34/94/1077213494.db2.gz CWCKLEANGJQDGJ-FUHWJXTLSA-N 1 0 410.486 2.908 20 0 HFADRO COc1ccccc1[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1nccn1C ZINC000788593348 1077215791 /nfs/dbraw/zinc/21/57/91/1077215791.db2.gz XIMQKATYMUJOOO-FQEVSTJZSA-N 1 0 414.531 2.558 20 0 HFADRO C[C@@H]1OCC[C@@]1(O)CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000788595899 1077217316 /nfs/dbraw/zinc/21/73/16/1077217316.db2.gz HLHUZBCDTQLIOQ-HTAPYJJXSA-N 1 0 418.538 2.553 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000788602920 1077220204 /nfs/dbraw/zinc/22/02/04/1077220204.db2.gz CYBQLXFHDZSWNV-QZTJIDSGSA-N 1 0 413.971 2.727 20 0 HFADRO C[C@@H](Oc1cccc(C=O)c1)C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746752514 1077220332 /nfs/dbraw/zinc/22/03/32/1077220332.db2.gz KCJPCQNTIRTMNI-WAOWUJCRSA-N 1 0 424.497 2.589 20 0 HFADRO C[C@H](OC(=O)[C@H](C)Oc1cccc(C=O)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746752515 1077220488 /nfs/dbraw/zinc/22/04/88/1077220488.db2.gz KCJPCQNTIRTMNI-WFXMLNOXSA-N 1 0 424.497 2.589 20 0 HFADRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 ZINC000788607610 1077222506 /nfs/dbraw/zinc/22/25/06/1077222506.db2.gz WCTCZNWCVQRNKX-JXFKEZNVSA-N 1 0 412.490 2.556 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788648860 1077225032 /nfs/dbraw/zinc/22/50/32/1077225032.db2.gz NOQXKSBAPWKSBK-BZUAXINKSA-N 1 0 410.559 2.529 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[NH+]1CCC(C)CC1 ZINC000788651203 1077225896 /nfs/dbraw/zinc/22/58/96/1077225896.db2.gz ZAOINESQMQFVOF-DUXKGJEZSA-N 1 0 424.545 2.815 20 0 HFADRO O=C([C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)Cc1cccc(F)c1)N1CCOCC1 ZINC000788615764 1077229177 /nfs/dbraw/zinc/22/91/77/1077229177.db2.gz YVGIGRLILHZNEY-RNQOJCNYSA-N 1 0 424.607 2.812 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)=NO1 ZINC000788621921 1077232182 /nfs/dbraw/zinc/23/21/82/1077232182.db2.gz ZBVNHVVQCGNTOI-PKOBYXMFSA-N 1 0 416.522 2.609 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000790924326 1077233835 /nfs/dbraw/zinc/23/38/35/1077233835.db2.gz LENJNCSKYKTTGW-UHFFFAOYSA-N 1 0 402.516 2.822 20 0 HFADRO CCC[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000788625818 1077234685 /nfs/dbraw/zinc/23/46/85/1077234685.db2.gz UEBXVQBTDVFVGU-WOJBJXKFSA-N 1 0 410.518 2.569 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000788632369 1077237358 /nfs/dbraw/zinc/23/73/58/1077237358.db2.gz WJNHNTBRVIXBAZ-QGZVFWFLSA-N 1 0 402.438 2.779 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1Cl ZINC000788636594 1077241593 /nfs/dbraw/zinc/24/15/93/1077241593.db2.gz SAJCWJDGCUBZGZ-GFCCVEGCSA-N 1 0 408.973 2.991 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000788679408 1077247697 /nfs/dbraw/zinc/24/76/97/1077247697.db2.gz GYIJPEHPLIVHGZ-UHFFFAOYSA-N 1 0 423.579 2.912 20 0 HFADRO CN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788687838 1077251517 /nfs/dbraw/zinc/25/15/17/1077251517.db2.gz GETRCAHRVUHRND-YADHBBJMSA-N 1 0 406.530 2.703 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000790948313 1077251927 /nfs/dbraw/zinc/25/19/27/1077251927.db2.gz WMYFZQGDGXAEQG-WIYYLYMNSA-N 1 0 414.594 2.797 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788653822 1077253954 /nfs/dbraw/zinc/25/39/54/1077253954.db2.gz ZAAGUYPRXFVRHK-DLBZAZTESA-N 1 0 408.543 2.830 20 0 HFADRO CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC001170146203 1077255530 /nfs/dbraw/zinc/25/55/30/1077255530.db2.gz MTZZIFRRTISRCD-UHFFFAOYSA-N 1 0 419.570 2.888 20 0 HFADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170146492 1077258613 /nfs/dbraw/zinc/25/86/13/1077258613.db2.gz PYMMFKTWOPTRSZ-HTAPYJJXSA-N 1 0 409.571 2.926 20 0 HFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000788665003 1077259462 /nfs/dbraw/zinc/25/94/62/1077259462.db2.gz IJAPJAKQRGCKDX-ZDUSSCGKSA-N 1 0 406.880 2.686 20 0 HFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788666405 1077259837 /nfs/dbraw/zinc/25/98/37/1077259837.db2.gz ZIAFWDZVFRQKTG-PLACYPQZSA-N 1 0 422.529 2.664 20 0 HFADRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000788669598 1077261792 /nfs/dbraw/zinc/26/17/92/1077261792.db2.gz DXGBGPFXWHEBDU-OLZOCXBDSA-N 1 0 402.333 2.750 20 0 HFADRO CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788713216 1077268665 /nfs/dbraw/zinc/26/86/65/1077268665.db2.gz SMMPKBRVZRYDGI-RTWAWAEBSA-N 1 0 400.567 2.939 20 0 HFADRO CCOC(=O)[C@@H]1[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)CCN1C(=O)OC(C)(C)C ZINC000788719212 1077270567 /nfs/dbraw/zinc/27/05/67/1077270567.db2.gz PTHAYLOEDIFEDP-SJORKVTESA-N 1 0 401.467 2.620 20 0 HFADRO O=C(Nc1ccccc1)C1CCN(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788768147 1077282225 /nfs/dbraw/zinc/28/22/25/1077282225.db2.gz CPNXGCHQQOTVMR-HXUWFJFHSA-N 1 0 405.498 2.912 20 0 HFADRO C[C@@]1(CNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000791056278 1077284849 /nfs/dbraw/zinc/28/48/49/1077284849.db2.gz ROWXGNADEMIISV-NRFANRHFSA-N 1 0 404.507 2.871 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000791062237 1077286681 /nfs/dbraw/zinc/28/66/81/1077286681.db2.gz SPNCVXHLWFCHSF-FBVQUNGASA-N 1 0 421.582 2.685 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCc2ccc3c(c2)CCO3)CCN1C(=O)OC(C)(C)C ZINC000788779605 1077299271 /nfs/dbraw/zinc/29/92/71/1077299271.db2.gz XOYAOAGCTMPJRS-IEBWSBKVSA-N 1 0 404.507 2.695 20 0 HFADRO O=C(CCCC[NH+]1CCCC1)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000791115450 1077302157 /nfs/dbraw/zinc/30/21/57/1077302157.db2.gz XOIAVERFQRQTRS-GOSISDBHSA-N 1 0 413.440 2.851 20 0 HFADRO Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000791118731 1077302925 /nfs/dbraw/zinc/30/29/25/1077302925.db2.gz CEEUXYBGYRFMSF-UHFFFAOYSA-N 1 0 413.522 2.606 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000788822230 1077308955 /nfs/dbraw/zinc/30/89/55/1077308955.db2.gz KJEUUJKJGXKNSW-YHWKNFMLSA-N 1 0 418.335 2.809 20 0 HFADRO CN(C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788837430 1077315636 /nfs/dbraw/zinc/31/56/36/1077315636.db2.gz MCIAZZQPYYXPEI-JOCHJYFZSA-N 1 0 421.545 2.703 20 0 HFADRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000788842943 1077317530 /nfs/dbraw/zinc/31/75/30/1077317530.db2.gz LOFFBKYYSYOUQT-SFHVURJKSA-N 1 0 421.586 2.659 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)C1 ZINC000788851332 1077319861 /nfs/dbraw/zinc/31/98/61/1077319861.db2.gz UKOBHTDIWCXJCT-LJQANCHMSA-N 1 0 424.973 2.892 20 0 HFADRO COC(=O)c1c(F)cncc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170149582 1077320583 /nfs/dbraw/zinc/32/05/83/1077320583.db2.gz UVYJOQDIXUZKPZ-UHFFFAOYSA-N 1 0 408.437 2.917 20 0 HFADRO CC(C)[C@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000788861638 1077322892 /nfs/dbraw/zinc/32/28/92/1077322892.db2.gz VDFVQWSGBMWIRX-ZEQRLZLVSA-N 1 0 424.589 2.991 20 0 HFADRO CC(C)[C@@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H](O)c1ccccc1 ZINC000788861636 1077322943 /nfs/dbraw/zinc/32/29/43/1077322943.db2.gz VDFVQWSGBMWIRX-DNQXCXABSA-N 1 0 424.589 2.991 20 0 HFADRO CC1=C(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H](C)n2ncnc2N1C ZINC000791215244 1077332811 /nfs/dbraw/zinc/33/28/11/1077332811.db2.gz TZRJMKJZFHXIFP-MRXNPFEDSA-N 1 0 412.563 2.793 20 0 HFADRO CC(C)(CNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2)C[NH+]1CCCC1 ZINC000791224492 1077335435 /nfs/dbraw/zinc/33/54/35/1077335435.db2.gz VBPNNRVBKUGXMC-UHFFFAOYSA-N 1 0 405.543 2.555 20 0 HFADRO O=C(CSc1cccc[n+]1[O-])Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000772727130 1077346105 /nfs/dbraw/zinc/34/61/05/1077346105.db2.gz BVIRJPZRSWXPFG-GOSISDBHSA-N 1 0 409.515 2.694 20 0 HFADRO COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000788915912 1077353934 /nfs/dbraw/zinc/35/39/34/1077353934.db2.gz MRNOGROOXLBWRO-AUUYWEPGSA-N 1 0 408.495 2.890 20 0 HFADRO COc1cc(OC)cc([C@@H](O)CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746777574 1077358650 /nfs/dbraw/zinc/35/86/50/1077358650.db2.gz MNROGGUUBITRLW-PMACEKPBSA-N 1 0 421.925 2.993 20 0 HFADRO COc1cc(OC)cc([C@@H](O)CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746777576 1077358802 /nfs/dbraw/zinc/35/88/02/1077358802.db2.gz MNROGGUUBITRLW-UXHICEINSA-N 1 0 421.925 2.993 20 0 HFADRO CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000791297697 1077360556 /nfs/dbraw/zinc/36/05/56/1077360556.db2.gz AOTWRJGZTCOSEO-XQNSMLJCSA-N 1 0 407.514 2.953 20 0 HFADRO COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000746994953 1077365600 /nfs/dbraw/zinc/36/56/00/1077365600.db2.gz VJQNFTJZHZGZPY-KRWDZBQOSA-N 1 0 410.518 2.653 20 0 HFADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000788970962 1077366665 /nfs/dbraw/zinc/36/66/65/1077366665.db2.gz YCXOIURDLYSZBN-IUODEOHRSA-N 1 0 422.410 2.836 20 0 HFADRO COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746776574 1077366987 /nfs/dbraw/zinc/36/69/87/1077366987.db2.gz GVDJTKZGYXFBFN-OALUTQOASA-N 1 0 421.925 2.993 20 0 HFADRO CC(=O)Nc1nc(C)cc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)n1 ZINC001170152660 1077367345 /nfs/dbraw/zinc/36/73/45/1077367345.db2.gz VSEQWJQJUCSQLX-UHFFFAOYSA-N 1 0 404.478 2.653 20 0 HFADRO COC(=O)c1ccc(F)c(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)n1 ZINC001170151985 1077371500 /nfs/dbraw/zinc/37/15/00/1077371500.db2.gz QVWDKWULGIVFCO-UHFFFAOYSA-N 1 0 408.437 2.917 20 0 HFADRO CC(C)(CNC(=O)C(=O)Nc1ccnn1C1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000746781509 1077379535 /nfs/dbraw/zinc/37/95/35/1077379535.db2.gz DVVLLBKEUYOGOJ-UHFFFAOYSA-N 1 0 409.534 2.890 20 0 HFADRO Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000791310301 1077382563 /nfs/dbraw/zinc/38/25/63/1077382563.db2.gz WPNKHPSYNREKMW-QGZVFWFLSA-N 1 0 410.478 2.502 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(C(F)(F)F)cnc2Cl)CC1 ZINC000789011502 1077383829 /nfs/dbraw/zinc/38/38/29/1077383829.db2.gz FMPMEZVDRDARBN-UHFFFAOYSA-N 1 0 407.820 2.900 20 0 HFADRO CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H](O)c1ccccc1 ZINC000789040677 1077391365 /nfs/dbraw/zinc/39/13/65/1077391365.db2.gz VIUKVUDHXFVQHH-FGZHOGPDSA-N 1 0 416.610 2.994 20 0 HFADRO Cn1cc([C@H]2CSCCN2C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000791393522 1077397803 /nfs/dbraw/zinc/39/78/03/1077397803.db2.gz YXVHFPZTOGQYCO-AQDCRGGLSA-N 1 0 400.548 2.690 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOC(C)(C)C)cc2Cl)CC1 ZINC000747012381 1077408592 /nfs/dbraw/zinc/40/85/92/1077408592.db2.gz VXVVISRBHSJLBY-UHFFFAOYSA-N 1 0 424.973 2.742 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000747015142 1077423442 /nfs/dbraw/zinc/42/34/42/1077423442.db2.gz SLJRVNVAMFTMLL-HXUWFJFHSA-N 1 0 406.530 2.783 20 0 HFADRO Cc1nc(CC2CC2)oc1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789153149 1077436798 /nfs/dbraw/zinc/43/67/98/1077436798.db2.gz VVWPHTINRPCPPB-APWZRJJASA-N 1 0 411.502 2.872 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791467595 1077440639 /nfs/dbraw/zinc/44/06/39/1077440639.db2.gz OYMJEUDFLIWJTA-VGSWGCGISA-N 1 0 409.486 2.588 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)C2)c1 ZINC000791469766 1077442208 /nfs/dbraw/zinc/44/22/08/1077442208.db2.gz BYBMOFXBSRGENC-JOCHJYFZSA-N 1 0 408.502 2.887 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)C2)c1 ZINC000791473036 1077444460 /nfs/dbraw/zinc/44/44/60/1077444460.db2.gz QVUSEWFBBKXDJO-JOCHJYFZSA-N 1 0 424.501 2.587 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cc3)C2)c1 ZINC000791510282 1077449167 /nfs/dbraw/zinc/44/91/67/1077449167.db2.gz ORPCTARCJCKTCB-JOCHJYFZSA-N 1 0 408.502 2.574 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000791510235 1077449236 /nfs/dbraw/zinc/44/92/36/1077449236.db2.gz NYDWCIGUTMEHIG-QMHKHESXSA-N 1 0 423.513 2.760 20 0 HFADRO CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000791541894 1077459235 /nfs/dbraw/zinc/45/92/35/1077459235.db2.gz CXEDFKWUNRIMCM-GOSISDBHSA-N 1 0 417.307 2.538 20 0 HFADRO C[C@H]1C[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@H](C2CC2)O1 ZINC000791552552 1077475633 /nfs/dbraw/zinc/47/56/33/1077475633.db2.gz IFERVALRWJSLHT-LRGNLBRXSA-N 1 0 404.551 2.983 20 0 HFADRO C[C@H](OC(=O)[C@@H]1CCC(=O)c2cccn21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000789227028 1077483264 /nfs/dbraw/zinc/48/32/64/1077483264.db2.gz JVYAMCGBNNEAHI-UWJYYQICSA-N 1 0 423.513 2.718 20 0 HFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CCCC1 ZINC000791589619 1077493552 /nfs/dbraw/zinc/49/35/52/1077493552.db2.gz QNQDTVCVXPGWKW-CALCHBBNSA-N 1 0 403.523 2.704 20 0 HFADRO O=C(COC(=O)C1(c2ccccc2Br)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000789283461 1077495698 /nfs/dbraw/zinc/49/56/98/1077495698.db2.gz JLFUKHBVKNKRCQ-UHFFFAOYSA-N 1 0 421.335 2.767 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000791596147 1077496755 /nfs/dbraw/zinc/49/67/55/1077496755.db2.gz YTEDWRUSHCZFFC-MBSDFSHPSA-N 1 0 423.513 2.978 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)c1 ZINC000791600720 1077499838 /nfs/dbraw/zinc/49/98/38/1077499838.db2.gz AZLMROZLXMVHAH-KKSFZXQISA-N 1 0 401.507 2.674 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC000791642505 1077507002 /nfs/dbraw/zinc/50/70/02/1077507002.db2.gz OVYCJPYWRDWEBP-NRFANRHFSA-N 1 0 401.551 2.573 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](C[C@H](O)CC3CCCC3)C2)CC1 ZINC000789309787 1077509205 /nfs/dbraw/zinc/50/92/05/1077509205.db2.gz LPCPUXLKDVOANV-VQTJNVASSA-N 1 0 423.598 2.719 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000789312931 1077510122 /nfs/dbraw/zinc/51/01/22/1077510122.db2.gz WCPKPNOYYHYOLL-IBGZPJMESA-N 1 0 415.921 2.946 20 0 HFADRO C[NH+](C)CC(C)(C)CNC(=S)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000789354733 1077514110 /nfs/dbraw/zinc/51/41/10/1077514110.db2.gz GMJGBTBHOHMTHU-OAQYLSRUSA-N 1 0 417.579 2.786 20 0 HFADRO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789315220 1077516164 /nfs/dbraw/zinc/51/61/64/1077516164.db2.gz PGXWAGXIEVQIOF-HNNXBMFYSA-N 1 0 423.941 2.626 20 0 HFADRO O=c1[nH]ccc2cc(NNC(=S)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000789320396 1077517737 /nfs/dbraw/zinc/51/77/37/1077517737.db2.gz SSZGJLYUFNKSOY-UHFFFAOYSA-N 1 0 407.543 2.984 20 0 HFADRO Cc1ccc([C@](O)(CC(=O)OCCCN2CC[NH+](C(C)C)CC2)C(F)(F)F)o1 ZINC000791673170 1077524301 /nfs/dbraw/zinc/52/43/01/1077524301.db2.gz BQKSDSMUAGWQDT-GOSISDBHSA-N 1 0 406.445 2.687 20 0 HFADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@H](C)CN3CCOCC3)cc(=O)oc2c1 ZINC000789333577 1077525827 /nfs/dbraw/zinc/52/58/27/1077525827.db2.gz BNUIEQHSJUHVRW-OAHLLOKOSA-N 1 0 403.479 2.514 20 0 HFADRO O=C(Nc1nc(-c2ccccc2)cs1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746805445 1077530791 /nfs/dbraw/zinc/53/07/91/1077530791.db2.gz URNZKZNMYPBDFI-KRWDZBQOSA-N 1 0 414.531 2.508 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)C(C)C ZINC000746803582 1077539798 /nfs/dbraw/zinc/53/97/98/1077539798.db2.gz NBMCLVVAYBVBJB-UHFFFAOYSA-N 1 0 422.533 2.984 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc(C2CCC2)cs1 ZINC000789377107 1077545471 /nfs/dbraw/zinc/54/54/71/1077545471.db2.gz GQCXHIYZWSEHCJ-UHFFFAOYSA-N 1 0 400.548 2.982 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000746812335 1077554231 /nfs/dbraw/zinc/55/42/31/1077554231.db2.gz KYABGJMFVGHFTK-KRWDZBQOSA-N 1 0 418.881 2.876 20 0 HFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000746813245 1077555478 /nfs/dbraw/zinc/55/54/78/1077555478.db2.gz HPWJIHMTZDKFGW-UHFFFAOYSA-N 1 0 418.538 2.771 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCCCC3)c2)C1 ZINC000746813341 1077555514 /nfs/dbraw/zinc/55/55/14/1077555514.db2.gz JCCYVOCSZZEINX-OAQYLSRUSA-N 1 0 416.566 2.575 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)[n+]2ccccc2)n1 ZINC000789400418 1077559211 /nfs/dbraw/zinc/55/92/11/1077559211.db2.gz CDMBZUCTZKBVDM-UHFFFAOYSA-O 1 0 418.405 2.747 20 0 HFADRO COc1ccc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2cccc(C)c2)cc1F ZINC000789402586 1077560642 /nfs/dbraw/zinc/56/06/42/1077560642.db2.gz PCBOQOXBRHOXFZ-UHFFFAOYSA-O 1 0 400.459 2.882 20 0 HFADRO Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCCCCC(F)(F)F)cc1 ZINC000789406070 1077562421 /nfs/dbraw/zinc/56/24/21/1077562421.db2.gz UHWSBYNAPDAEDB-UHFFFAOYSA-O 1 0 400.450 2.944 20 0 HFADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791829042 1077576597 /nfs/dbraw/zinc/57/65/97/1077576597.db2.gz UNDOYMZDJBKOOM-NVBHJRBHSA-N 1 0 401.576 2.883 20 0 HFADRO CN(Cc1cc2ccccc2o1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000746814363 1077577091 /nfs/dbraw/zinc/57/70/91/1077577091.db2.gz PSKITVXGOCKHGF-UHFFFAOYSA-N 1 0 406.486 2.782 20 0 HFADRO C[C@@H]1CN(C(=O)C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000789446704 1077577925 /nfs/dbraw/zinc/57/79/25/1077577925.db2.gz LTMWFDXJCUTYOX-DNVCBOLYSA-N 1 0 418.335 2.965 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000789471791 1077586185 /nfs/dbraw/zinc/58/61/85/1077586185.db2.gz HVRJFSCLEJCDAY-FQEVSTJZSA-N 1 0 410.518 2.783 20 0 HFADRO COC(=O)C1=C(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000789504094 1077598527 /nfs/dbraw/zinc/59/85/27/1077598527.db2.gz LTZBCUAOBIAHNG-OFNKIYASSA-N 1 0 415.534 2.683 20 0 HFADRO C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940528 1077600848 /nfs/dbraw/zinc/60/08/48/1077600848.db2.gz UVSBWPCZDYLNLV-QIJUGHKUSA-N 1 0 407.514 2.892 20 0 HFADRO O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791947715 1077604845 /nfs/dbraw/zinc/60/48/45/1077604845.db2.gz XAJPMMRTUSAIAM-HDICACEKSA-N 1 0 420.481 2.887 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCc1c(C)nc2ncnn2c1C ZINC000791979400 1077620044 /nfs/dbraw/zinc/62/00/44/1077620044.db2.gz CWCRXPOYXOESLT-FPOVZHCZSA-N 1 0 404.518 2.817 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NC[C@H](O)c3ccccc3Cl)cccc21 ZINC000789529494 1077625533 /nfs/dbraw/zinc/62/55/33/1077625533.db2.gz VZVZBAPDVMVMBG-ROUUACIJSA-N 1 0 417.893 2.514 20 0 HFADRO CCC[C@H](NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H](O)c1ccccc1 ZINC000792010791 1077648529 /nfs/dbraw/zinc/64/85/29/1077648529.db2.gz AOZCICFELDAPDR-RBBKRZOGSA-N 1 0 411.550 2.535 20 0 HFADRO O=C(NCc1cccnc1-n1ccnc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792014732 1077650059 /nfs/dbraw/zinc/65/00/59/1077650059.db2.gz MDDHWZDFEVTDHX-OYRHEFFESA-N 1 0 402.502 2.541 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCC[N@H+](C)C3CCCCC3)C2)c1 ZINC000792053105 1077658934 /nfs/dbraw/zinc/65/89/34/1077658934.db2.gz XIZDRAURLBJHKU-OAQYLSRUSA-N 1 0 403.523 2.968 20 0 HFADRO CCC[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H](O)c1ccccc1 ZINC000792057276 1077663607 /nfs/dbraw/zinc/66/36/07/1077663607.db2.gz ORZZZYCVXHXXKD-YADHBBJMSA-N 1 0 402.583 2.747 20 0 HFADRO O=C(NCc1ccnc(-n2ccnc2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792058734 1077664174 /nfs/dbraw/zinc/66/41/74/1077664174.db2.gz AKBJXMLLLJKYAL-OYRHEFFESA-N 1 0 402.502 2.541 20 0 HFADRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c1 ZINC000789560640 1077680192 /nfs/dbraw/zinc/68/01/92/1077680192.db2.gz LIPUCLNUWIKJSK-FQEVSTJZSA-N 1 0 403.486 2.627 20 0 HFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000789560620 1077680204 /nfs/dbraw/zinc/68/02/04/1077680204.db2.gz LCBOHDFFPZBSOV-IBGZPJMESA-N 1 0 423.904 2.972 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)C2)c1 ZINC000792078056 1077690649 /nfs/dbraw/zinc/69/06/49/1077690649.db2.gz ZKGSXXQZBCBNLG-CTNGQTDRSA-N 1 0 415.465 2.755 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)C2)c1 ZINC000792078060 1077691128 /nfs/dbraw/zinc/69/11/28/1077691128.db2.gz ZKGSXXQZBCBNLG-TZIWHRDSSA-N 1 0 415.465 2.755 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)CC2)cc1 ZINC000792045357 1077691513 /nfs/dbraw/zinc/69/15/13/1077691513.db2.gz SEIWWUWHBBCPNZ-QHCPKHFHSA-N 1 0 423.513 2.931 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)C(=O)Nc3cccc(C[NH+](C)C)c3)C2=O)c(C)c1 ZINC000789624153 1077694498 /nfs/dbraw/zinc/69/44/98/1077694498.db2.gz FTMQTDSOIKOYGO-FQEVSTJZSA-N 1 0 422.529 2.534 20 0 HFADRO COCC[N@@H+]1CCCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792082850 1077707056 /nfs/dbraw/zinc/70/70/56/1077707056.db2.gz HIHXGHPWQDPESK-LJQANCHMSA-N 1 0 423.529 2.615 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)C2)c1 ZINC000792086039 1077709814 /nfs/dbraw/zinc/70/98/14/1077709814.db2.gz XONFQUNKWKTAAE-NRFANRHFSA-N 1 0 403.523 2.776 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC000792137444 1077719240 /nfs/dbraw/zinc/71/92/40/1077719240.db2.gz RHRRSDDJVZWTOW-XXBNENTESA-N 1 0 407.514 2.869 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000789651327 1077719644 /nfs/dbraw/zinc/71/96/44/1077719644.db2.gz FWKCBOPCPUQJRC-PKOBYXMFSA-N 1 0 412.559 2.726 20 0 HFADRO C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792142125 1077721014 /nfs/dbraw/zinc/72/10/14/1077721014.db2.gz HBDDIEZLJVOBJU-RLLQIKCJSA-N 1 0 416.566 2.921 20 0 HFADRO COc1nc(C)c(Br)cc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000792150341 1077723844 /nfs/dbraw/zinc/72/38/44/1077723844.db2.gz GZJRPHAZBZUONY-UHFFFAOYSA-N 1 0 414.344 2.734 20 0 HFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1nc(Br)ccc1F ZINC000792161597 1077727386 /nfs/dbraw/zinc/72/73/86/1077727386.db2.gz WEBOPPJUNAZKTI-UHFFFAOYSA-N 1 0 400.292 2.748 20 0 HFADRO COCC1(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000789697215 1077732962 /nfs/dbraw/zinc/73/29/62/1077732962.db2.gz RTTYTSZHSWISLR-QGZVFWFLSA-N 1 0 409.502 2.605 20 0 HFADRO O=C(N[C@H]1Cc2ccc(Cl)cc2C1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789669151 1077734561 /nfs/dbraw/zinc/73/45/61/1077734561.db2.gz STWJOBMZYQBRCK-SFTDATJTSA-N 1 0 411.933 2.704 20 0 HFADRO C[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792182887 1077737177 /nfs/dbraw/zinc/73/71/77/1077737177.db2.gz ZOHUYTYRZHAAMN-INIZCTEOSA-N 1 0 419.957 2.837 20 0 HFADRO C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000746843765 1077738571 /nfs/dbraw/zinc/73/85/71/1077738571.db2.gz JWZRINQLEPANSB-INIZCTEOSA-N 1 0 409.552 2.510 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC000789733737 1077742530 /nfs/dbraw/zinc/74/25/30/1077742530.db2.gz XCMDEDSDWBLRDR-GOSISDBHSA-N 1 0 400.523 2.634 20 0 HFADRO C[NH+](C)CCCOC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000792220115 1077747474 /nfs/dbraw/zinc/74/74/74/1077747474.db2.gz LYEFUEKLJZIDQA-INIZCTEOSA-N 1 0 412.328 2.618 20 0 HFADRO C[C@@](O)(CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000792224116 1077750493 /nfs/dbraw/zinc/75/04/93/1077750493.db2.gz CRAMKAKNHMQWGX-VGOFRKELSA-N 1 0 403.473 2.994 20 0 HFADRO Cc1c[nH+]ccc1N1CCC(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000789711621 1077751379 /nfs/dbraw/zinc/75/13/79/1077751379.db2.gz LYYCVBMKILTQDQ-QFIPXVFZSA-N 1 0 406.530 2.866 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)Nc1cccc3c1OCC[C@@H]3[NH+](C)C)CCC2 ZINC000789722520 1077759649 /nfs/dbraw/zinc/75/96/49/1077759649.db2.gz LSXUXCYNYIITGV-SJORKVTESA-N 1 0 414.531 2.969 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)C2)c1 ZINC000792284766 1077774655 /nfs/dbraw/zinc/77/46/55/1077774655.db2.gz JESMGHCHFPSLNP-COPCDDAFSA-N 1 0 409.486 2.758 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1nc(Br)ccc1F ZINC000792285680 1077775465 /nfs/dbraw/zinc/77/54/65/1077775465.db2.gz OECXVFGNIROMHK-GDBMZVCRSA-N 1 0 422.298 2.596 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)C2)c1 ZINC000792265422 1077787016 /nfs/dbraw/zinc/78/70/16/1077787016.db2.gz XGQHWNKZVSPASO-HRAATJIYSA-N 1 0 403.523 2.681 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N[C@H]1CCCC2(C1)OCCO2 ZINC000792275043 1077789536 /nfs/dbraw/zinc/78/95/36/1077789536.db2.gz IIRBCTFKKPNHJQ-FHERZECASA-N 1 0 405.461 2.777 20 0 HFADRO COc1ccccc1[C@@H](O)CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792276922 1077791206 /nfs/dbraw/zinc/79/12/06/1077791206.db2.gz IEVBVJOHENPCQY-DQPZFDDXSA-N 1 0 415.456 2.833 20 0 HFADRO Cc1cc2n[nH]cc2cc1NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000792277342 1077792082 /nfs/dbraw/zinc/79/20/82/1077792082.db2.gz KWXKZDQYXVWLSV-UHFFFAOYSA-N 1 0 420.517 2.979 20 0 HFADRO COc1ccccc1-n1ncc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1C ZINC000792295176 1077793756 /nfs/dbraw/zinc/79/37/56/1077793756.db2.gz QKPSURNBHLAABQ-UHFFFAOYSA-N 1 0 400.523 2.762 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3(SC)CC3)cc2Cl)CC1 ZINC000789784676 1077794368 /nfs/dbraw/zinc/79/43/68/1077794368.db2.gz SSSNYCGUNQKKIH-UHFFFAOYSA-N 1 0 424.998 2.822 20 0 HFADRO Cn1cc(C(=O)OC2CC[NH+](CCOc3cccc(Br)c3)CC2)cn1 ZINC000789793662 1077800896 /nfs/dbraw/zinc/80/08/96/1077800896.db2.gz GQACTEDRGIQJFO-UHFFFAOYSA-N 1 0 408.296 2.883 20 0 HFADRO C[C@@H]1CN(CCN(C)C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2F)C[C@H](C)O1 ZINC000789795549 1077801132 /nfs/dbraw/zinc/80/11/32/1077801132.db2.gz BWINBRNEZQJLEL-CALCHBBNSA-N 1 0 413.493 2.999 20 0 HFADRO C[NH+]1CCN(C[C@H](NC(=O)c2nc(Br)cs2)c2ccccc2)CC1 ZINC000792312025 1077801642 /nfs/dbraw/zinc/80/16/42/1077801642.db2.gz CEPHFOHWNAHKTO-AWEZNQCLSA-N 1 0 409.353 2.624 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)NCc3ccccc3OCC[NH+](C)C)c(=O)[nH]c21 ZINC000746856236 1077806185 /nfs/dbraw/zinc/80/61/85/1077806185.db2.gz VEZVSCRLMZZFSL-MDZDMXLPSA-N 1 0 423.517 2.576 20 0 HFADRO CO[C@H]1Cc2ccc(NC(=O)C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)cc2C1 ZINC000789774506 1077808311 /nfs/dbraw/zinc/80/83/11/1077808311.db2.gz FXVOKVPAEOPSCX-FXAWDEMLSA-N 1 0 409.486 2.763 20 0 HFADRO O=S(=O)(C1=Cc2ccccc2OCC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000772794445 1077816638 /nfs/dbraw/zinc/81/66/38/1077816638.db2.gz NUAQJMGOHMQSEC-UHFFFAOYSA-N 1 0 406.548 2.717 20 0 HFADRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cc(=O)n3ccccc3n2)cn1 ZINC000792375004 1077820838 /nfs/dbraw/zinc/82/08/38/1077820838.db2.gz DKLBSSJKCODDFJ-NRFANRHFSA-N 1 0 403.486 2.647 20 0 HFADRO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332930 1077821802 /nfs/dbraw/zinc/82/18/02/1077821802.db2.gz IQCQGHPTJOWSTH-MSOLQXFVSA-N 1 0 409.571 2.783 20 0 HFADRO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792332257 1077822560 /nfs/dbraw/zinc/82/25/60/1077822560.db2.gz UQXGFBDDHOMGGI-INIZCTEOSA-N 1 0 410.559 2.722 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)N1CCOC[C@H]1C1CC1)CC2 ZINC000792333298 1077822731 /nfs/dbraw/zinc/82/27/31/1077822731.db2.gz MOKMCXMXBIDCKK-IBGZPJMESA-N 1 0 421.582 2.737 20 0 HFADRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)[C@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000792376848 1077826724 /nfs/dbraw/zinc/82/67/24/1077826724.db2.gz ONRUBEMNUWWZEC-ROUUACIJSA-N 1 0 410.440 2.602 20 0 HFADRO COC(=O)c1cc(CN2CCC(Oc3ccc(F)nc3)CC2)cc(C(=O)OC)c1 ZINC000792386254 1077830102 /nfs/dbraw/zinc/83/01/02/1077830102.db2.gz TZHZHXKWNBOTOD-UHFFFAOYSA-N 1 0 402.422 2.837 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](CCS(C)(=O)=O)c3ccccc3)cc2)CC1 ZINC000789874779 1077831970 /nfs/dbraw/zinc/83/19/70/1077831970.db2.gz LSKZKJBNZUBQKJ-OAQYLSRUSA-N 1 0 415.559 2.595 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000792421589 1077850420 /nfs/dbraw/zinc/85/04/20/1077850420.db2.gz SQMZBBCMMMLXNH-MRXNPFEDSA-N 1 0 420.554 2.757 20 0 HFADRO CC(C)(CNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1)C[NH+]1CCCC1 ZINC000792465237 1077859109 /nfs/dbraw/zinc/85/91/09/1077859109.db2.gz MQRMUWKSCKGTIB-UHFFFAOYSA-N 1 0 410.518 2.837 20 0 HFADRO CC(C)(CNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1)C[NH+]1CCCC1 ZINC000792465808 1077859565 /nfs/dbraw/zinc/85/95/65/1077859565.db2.gz QGNFOLACSDTRGW-UHFFFAOYSA-N 1 0 403.914 2.702 20 0 HFADRO CC(C)(CNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1)C[NH+]1CCCC1 ZINC000792465840 1077859582 /nfs/dbraw/zinc/85/95/82/1077859582.db2.gz QZJFROKFXQABQX-UHFFFAOYSA-N 1 0 408.493 2.742 20 0 HFADRO COC(=O)c1cc(-c2ccc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cc2)on1 ZINC001170167422 1077865291 /nfs/dbraw/zinc/86/52/91/1077865291.db2.gz GVAURBUWRYOPGS-UHFFFAOYSA-N 1 0 421.457 2.996 20 0 HFADRO CS(=O)(=O)Nc1ccc(/C=C/C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792495065 1077866571 /nfs/dbraw/zinc/86/65/71/1077866571.db2.gz JMOLIHQNKUHRAS-JTPHSUOKSA-N 1 0 413.543 2.710 20 0 HFADRO CC[C@@H](C)n1ncc(NC(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480338 1077876236 /nfs/dbraw/zinc/87/62/36/1077876236.db2.gz AHWPTSSZKIXAJG-GDBMZVCRSA-N 1 0 408.547 2.835 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000789974954 1077878780 /nfs/dbraw/zinc/87/87/80/1077878780.db2.gz LNOAQHIYUBALPA-DOTOQJQBSA-N 1 0 418.538 2.902 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cccc2c1NC(=O)C21CCOCC1 ZINC001170168737 1077890181 /nfs/dbraw/zinc/89/01/81/1077890181.db2.gz CBMMXMDVRIRPOY-UHFFFAOYSA-N 1 0 421.501 2.555 20 0 HFADRO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000792551047 1077900123 /nfs/dbraw/zinc/90/01/23/1077900123.db2.gz CVJHPXAUUZTAAS-HNNXBMFYSA-N 1 0 408.458 2.539 20 0 HFADRO Nc1ncc(N(CCCC[NH3+])S(=O)(=O)c2ccc3c(Cl)cccc3c2)cn1 ZINC001170180312 1077902393 /nfs/dbraw/zinc/90/23/93/1077902393.db2.gz KYOXHUDGYBROOO-UHFFFAOYSA-N 1 0 405.911 2.800 20 0 HFADRO C[NH+](C)CC[C@H](c1ccc(Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)cc1)c1ccccn1 ZINC001170218609 1077910039 /nfs/dbraw/zinc/91/00/39/1077910039.db2.gz NWPORLFGYRCIIE-OAHLLOKOSA-N 1 0 405.462 2.938 20 0 HFADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000746870992 1077913815 /nfs/dbraw/zinc/91/38/15/1077913815.db2.gz AUKZIBQWSLRUOJ-QGZVFWFLSA-N 1 0 420.510 2.644 20 0 HFADRO CC[C@H]1C[C@H]([NH+]2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)CCO1 ZINC001170223535 1077916625 /nfs/dbraw/zinc/91/66/25/1077916625.db2.gz SQDHYLPVQGKISA-MOPGFXCFSA-N 1 0 406.596 2.518 20 0 HFADRO COC(=O)c1cc(Br)cc(NCC2C[NH+](C)C2)c1NC(=O)C(F)(F)F ZINC001170256804 1077919891 /nfs/dbraw/zinc/91/98/91/1077919891.db2.gz XBJBDYPJURQRQM-UHFFFAOYSA-N 1 0 424.217 2.710 20 0 HFADRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2cn(C)cn2)cc1 ZINC001170269523 1077923538 /nfs/dbraw/zinc/92/35/38/1077923538.db2.gz QUPJLTIZTZTFHQ-UHFFFAOYSA-N 1 0 401.467 2.699 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)O1 ZINC001170273877 1077925800 /nfs/dbraw/zinc/92/58/00/1077925800.db2.gz SOPRHWOXEJDCLF-MBOZVWFJSA-N 1 0 406.433 2.749 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001170273212 1077925853 /nfs/dbraw/zinc/92/58/53/1077925853.db2.gz KKUYHQRYDWIQBG-VELGLUOQSA-N 1 0 406.954 2.857 20 0 HFADRO COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NCC1C[NH+](C)C1 ZINC001170249338 1077927476 /nfs/dbraw/zinc/92/74/76/1077927476.db2.gz DWTRBZDVUWYBOR-UHFFFAOYSA-N 1 0 412.881 2.783 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(F)c(C(F)(F)F)c1 ZINC000790047634 1077927676 /nfs/dbraw/zinc/92/76/76/1077927676.db2.gz AMFUOJREOPGLNG-UHFFFAOYSA-N 1 0 409.405 2.987 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049428 1077929543 /nfs/dbraw/zinc/92/95/43/1077929543.db2.gz GIGXZOJELFBBQI-UXHICEINSA-N 1 0 414.594 2.572 20 0 HFADRO O=C(CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)N[C@H]1CCCc2ccccc21 ZINC001170280114 1077935774 /nfs/dbraw/zinc/93/57/74/1077935774.db2.gz AICAIZMGBUQDJA-LMMKCTJWSA-N 1 0 423.479 2.913 20 0 HFADRO O=C(CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)N[C@@H]1CCCc2ccccc21 ZINC001170280116 1077935827 /nfs/dbraw/zinc/93/58/27/1077935827.db2.gz AICAIZMGBUQDJA-ZIFCJYIRSA-N 1 0 423.479 2.913 20 0 HFADRO O=C(N1C[C@@H]2CC[N@H+](CCCN3CCN(c4ccccc4)CC3)C[C@H]2C1)C(F)(F)F ZINC001170280613 1077936599 /nfs/dbraw/zinc/93/65/99/1077936599.db2.gz MKVGLGFQHGXGJE-OALUTQOASA-N 1 0 424.511 2.541 20 0 HFADRO C[NH+]1CCN(c2ccc(-c3noc(-c4cn(Cc5ccccc5)nn4)n3)cc2)CC1 ZINC001212601306 1077937355 /nfs/dbraw/zinc/93/73/55/1077937355.db2.gz QCILLCCSJYWRCO-UHFFFAOYSA-N 1 0 401.474 2.795 20 0 HFADRO COC(=O)c1cc(Br)c(C)c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c1 ZINC001170285047 1077937560 /nfs/dbraw/zinc/93/75/60/1077937560.db2.gz UPDLMRWFHOUHPI-INMHGKMJSA-N 1 0 401.301 2.681 20 0 HFADRO COc1ccc([C@@H](CNC(=O)N[C@H](C)c2nnnn2C2CC2)[NH+]2CCCCC2)cc1 ZINC000790109555 1077939292 /nfs/dbraw/zinc/93/92/92/1077939292.db2.gz CRRCAZWPDFIYDC-DNVCBOLYSA-N 1 0 413.526 2.604 20 0 HFADRO CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001170321620 1077942989 /nfs/dbraw/zinc/94/29/89/1077942989.db2.gz WLMJXDCCCUGPIY-DVBCCOPCSA-N 1 0 420.435 2.892 20 0 HFADRO CCS(=O)(=O)c1ccc(CNc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)cc1 ZINC001170323625 1077943576 /nfs/dbraw/zinc/94/35/76/1077943576.db2.gz AXGJYCNUONDHDA-UHFFFAOYSA-N 1 0 422.572 2.618 20 0 HFADRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000746879898 1077948733 /nfs/dbraw/zinc/94/87/33/1077948733.db2.gz QYPYNGZWAAQXCO-AWEZNQCLSA-N 1 0 424.592 2.538 20 0 HFADRO COc1cccc(/C=C(\C(=O)NC2CC[NH+](C3CCCCC3)CC2)n2nnnc2C)c1 ZINC000746875817 1077950085 /nfs/dbraw/zinc/95/00/85/1077950085.db2.gz ZWBUUZDULUKINY-CJLVFECKSA-N 1 0 424.549 2.902 20 0 HFADRO CN(CCN1CCOC(C)(C)C1)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000790121003 1077957911 /nfs/dbraw/zinc/95/79/11/1077957911.db2.gz BEOVVSJZTHEGDQ-LJQANCHMSA-N 1 0 419.566 2.692 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000790156465 1077960883 /nfs/dbraw/zinc/96/08/83/1077960883.db2.gz ALEFNUMULAQJJR-KNQAVFIVSA-N 1 0 413.566 2.880 20 0 HFADRO COc1c(C)cnc(Cn2cnc(NC(=O)[C@H](O)c3ccccc3Cl)n2)c1C ZINC000790162479 1077963426 /nfs/dbraw/zinc/96/34/26/1077963426.db2.gz RISFRTIHFUWIGX-MRXNPFEDSA-N 1 0 401.854 2.672 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000790192014 1077967265 /nfs/dbraw/zinc/96/72/65/1077967265.db2.gz ZWOAKLZKCWZOTE-NVXWUHKLSA-N 1 0 411.468 2.869 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000790192012 1077967299 /nfs/dbraw/zinc/96/72/99/1077967299.db2.gz ZWOAKLZKCWZOTE-DOTOQJQBSA-N 1 0 411.468 2.869 20 0 HFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790238665 1077974031 /nfs/dbraw/zinc/97/40/31/1077974031.db2.gz SXKOYVOYEXYZAI-SFHVURJKSA-N 1 0 400.498 2.946 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000790239092 1077974517 /nfs/dbraw/zinc/97/45/17/1077974517.db2.gz DENKIEHABBTXOA-SFHVURJKSA-N 1 0 421.494 2.714 20 0 HFADRO [NH3+][C@H](CC(=O)N1C[C@@H](F)C[C@H](CO)C1)Cc1ccc(OCc2ccccc2)cc1 ZINC001157731356 1077975142 /nfs/dbraw/zinc/97/51/42/1077975142.db2.gz UEWVTVLDKXOPIJ-ACRUOGEOSA-N 1 0 400.494 2.704 20 0 HFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000790233125 1077982261 /nfs/dbraw/zinc/98/22/61/1077982261.db2.gz BUQVIVSTZNLIEB-KRWDZBQOSA-N 1 0 423.922 2.886 20 0 HFADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000790319415 1077996578 /nfs/dbraw/zinc/99/65/78/1077996578.db2.gz NZWABAKZDBMWFL-TZYHBYERSA-N 1 0 414.594 2.702 20 0 HFADRO C[N@H+]([C@H]1CCN(C2CCOCC2)C1=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000790320473 1077996634 /nfs/dbraw/zinc/99/66/34/1077996634.db2.gz RSPDXKJGWFGNCD-SWDXFRIISA-N 1 0 407.555 2.629 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001170420852 1077998397 /nfs/dbraw/zinc/99/83/97/1077998397.db2.gz NRSWFOOXDXWPAP-FGTMMUONSA-N 1 0 406.523 2.944 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCO[C@@H](c3ccc(F)c(Cl)c3)C1)C[NH+]1CCC2CC1 ZINC000790362109 1078004244 /nfs/dbraw/zinc/00/42/44/1078004244.db2.gz JYBNNLUVFCAHKZ-UYAOXDASSA-N 1 0 409.889 2.727 20 0 HFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(Br)ccc1Br ZINC000790344941 1078008038 /nfs/dbraw/zinc/00/80/38/1078008038.db2.gz YHZYEDVHVWWXJX-UWVGGRQHSA-N 1 0 403.118 2.963 20 0 HFADRO CN(Cc1csc(Br)c1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790369770 1078016286 /nfs/dbraw/zinc/01/62/86/1078016286.db2.gz MCSWZNDQALWYSU-INIZCTEOSA-N 1 0 400.342 2.817 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000792880773 1078016637 /nfs/dbraw/zinc/01/66/37/1078016637.db2.gz VAXSYZZMXJHAKA-SFTDATJTSA-N 1 0 419.566 2.503 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC(c2cccnc2)=NO1)[NH+]1CCCCC1 ZINC000790371256 1078016942 /nfs/dbraw/zinc/01/69/42/1078016942.db2.gz GMHMPEVNIXMFLQ-IRLDBZIGSA-N 1 0 408.502 2.927 20 0 HFADRO O=C1O[C@]2(CN1CN1CCc3c(Br)cccc3C1)C[NH+]1CCC2CC1 ZINC000790374466 1078017978 /nfs/dbraw/zinc/01/79/78/1078017978.db2.gz ZBSSIFTWVIWVFY-IBGZPJMESA-N 1 0 406.324 2.681 20 0 HFADRO C[C@@H](CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000792893577 1078018073 /nfs/dbraw/zinc/01/80/73/1078018073.db2.gz VRABJGGAJHJIJG-YOEHRIQHSA-N 1 0 423.355 2.506 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000790424180 1078022844 /nfs/dbraw/zinc/02/28/44/1078022844.db2.gz KJHAWWPAXSLOKO-ZPMCFJSWSA-N 1 0 411.550 2.631 20 0 HFADRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000792923272 1078026929 /nfs/dbraw/zinc/02/69/29/1078026929.db2.gz BSHJRPAGYKTIKF-WFXMLNOXSA-N 1 0 416.566 2.619 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC1CCN(C(=O)C2CCOCC2)CC1 ZINC001170423342 1078030838 /nfs/dbraw/zinc/03/08/38/1078030838.db2.gz DFLZAJLOPWQGIU-HXUWFJFHSA-N 1 0 402.535 2.991 20 0 HFADRO COC(=O)CC1CC[NH+](Cn2ncc3c2ccc(Br)c3C(=O)OC)CC1 ZINC000790438989 1078031222 /nfs/dbraw/zinc/03/12/22/1078031222.db2.gz LLBVZHMQIYUADI-UHFFFAOYSA-N 1 0 424.295 2.818 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@@H]([NH+]4CCCC4)C3)c2ccc1Br ZINC000790440206 1078031493 /nfs/dbraw/zinc/03/14/93/1078031493.db2.gz RIPPUTJKBLINJE-CYBMUJFWSA-N 1 0 407.312 2.713 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@H]([NH+]4CCCC4)C3)c2ccc1Br ZINC000790440207 1078031574 /nfs/dbraw/zinc/03/15/74/1078031574.db2.gz RIPPUTJKBLINJE-ZDUSSCGKSA-N 1 0 407.312 2.713 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccccc1 ZINC000792947753 1078032297 /nfs/dbraw/zinc/03/22/97/1078032297.db2.gz OJWXANKSFLFXLJ-HNNXBMFYSA-N 1 0 419.323 2.982 20 0 HFADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792948431 1078032597 /nfs/dbraw/zinc/03/25/97/1078032597.db2.gz UWOCZQCTVWGRNI-HNNXBMFYSA-N 1 0 417.307 2.736 20 0 HFADRO O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1)OCc1ccccc1 ZINC000792951277 1078033460 /nfs/dbraw/zinc/03/34/60/1078033460.db2.gz QTNZMZIYOWCAOF-RTWAWAEBSA-N 1 0 414.550 2.819 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000747094681 1078035679 /nfs/dbraw/zinc/03/56/79/1078035679.db2.gz FCSBVPDTBVZQQO-YLJYHZDGSA-N 1 0 412.490 2.869 20 0 HFADRO O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000747094547 1078036287 /nfs/dbraw/zinc/03/62/87/1078036287.db2.gz DCPJXADYMWSTAB-RXVVDRJESA-N 1 0 424.501 2.648 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)nc1Br ZINC000792965967 1078037692 /nfs/dbraw/zinc/03/76/92/1078037692.db2.gz VTYXERYSVQVROR-XIKOKIGWSA-N 1 0 411.344 2.718 20 0 HFADRO COCC[N@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@@H]1CC[C@@H](C)C1 ZINC000790480154 1078040766 /nfs/dbraw/zinc/04/07/66/1078040766.db2.gz QJZPCWIBKRABTJ-ZTBAGEHQSA-N 1 0 417.550 2.841 20 0 HFADRO O=C1c2ccc(Br)cc2N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772825609 1078042524 /nfs/dbraw/zinc/04/25/24/1078042524.db2.gz CMZTYYFUBRBWBT-CXAGYDPISA-N 1 0 418.335 2.885 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000806254221 1079521927 /nfs/dbraw/zinc/52/19/27/1079521927.db2.gz QYRUCZSTROFSBX-SQNIBIBYSA-N 1 0 407.580 2.543 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000806254051 1079522019 /nfs/dbraw/zinc/52/20/19/1079522019.db2.gz YLSTUEXFDXOKIQ-RTWAWAEBSA-N 1 0 401.551 2.651 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000806254064 1079522061 /nfs/dbraw/zinc/52/20/61/1079522061.db2.gz QKBQOKIKVURGES-OAQYLSRUSA-N 1 0 414.594 2.839 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000806254935 1079523356 /nfs/dbraw/zinc/52/33/56/1079523356.db2.gz XLMRPRIHAZBRGW-NJDAHSKKSA-N 1 0 419.541 2.621 20 0 HFADRO COc1cccc(Cl)c1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806264269 1079529201 /nfs/dbraw/zinc/52/92/01/1079529201.db2.gz LUJGNJLRULYTNG-UHFFFAOYSA-N 1 0 407.942 2.878 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000806270963 1079532977 /nfs/dbraw/zinc/53/29/77/1079532977.db2.gz KGYAWMFFFKPGKY-QFBILLFUSA-N 1 0 413.440 2.961 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806303675 1079556313 /nfs/dbraw/zinc/55/63/13/1079556313.db2.gz QGLFVRVJUSYJLV-DUXKGJEZSA-N 1 0 423.561 2.594 20 0 HFADRO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000806307775 1079559330 /nfs/dbraw/zinc/55/93/30/1079559330.db2.gz WBIJFFQQJRDCJB-SFHVURJKSA-N 1 0 420.558 2.700 20 0 HFADRO CC[N@H+](CCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C1CCCCC1 ZINC001130586338 1079560246 /nfs/dbraw/zinc/56/02/46/1079560246.db2.gz SLWYEGGFXUDGRK-UHFFFAOYSA-N 1 0 407.580 2.783 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC001130586732 1079561099 /nfs/dbraw/zinc/56/10/99/1079561099.db2.gz STBOERPVYBUBEP-KZNAEPCWSA-N 1 0 407.580 2.723 20 0 HFADRO CCc1ccc([C@@H](CNC(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000806308576 1079562550 /nfs/dbraw/zinc/56/25/50/1079562550.db2.gz VVXQRUAFQROBRA-VQIMIIECSA-N 1 0 415.456 2.989 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001130589762 1079570714 /nfs/dbraw/zinc/57/07/14/1079570714.db2.gz RCHRFWSRYKNPCP-NCOADZHNSA-N 1 0 407.942 2.507 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000806333402 1079605708 /nfs/dbraw/zinc/60/57/08/1079605708.db2.gz IRKWJEFMAYGKRV-SFHVURJKSA-N 1 0 420.558 2.981 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)[C@](N)(c3cccc(F)c3)C(F)(F)F)cc2)CC1 ZINC000806353724 1079625712 /nfs/dbraw/zinc/62/57/12/1079625712.db2.gz SGTXSBAABMLWER-LJQANCHMSA-N 1 0 410.415 2.933 20 0 HFADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)no1 ZINC001130610895 1079630540 /nfs/dbraw/zinc/63/05/40/1079630540.db2.gz WSUCSERJOFBDLF-IIBYNOLFSA-N 1 0 416.547 2.824 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)NCc1ccc(Br)cc1F)C(C)(C)C ZINC000806390015 1079640979 /nfs/dbraw/zinc/64/09/79/1079640979.db2.gz DHUCRQPQAFIFHC-HNNXBMFYSA-N 1 0 416.335 2.687 20 0 HFADRO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000747326491 1079645039 /nfs/dbraw/zinc/64/50/39/1079645039.db2.gz SDXCCDKAFOYSEN-IAGOWNOFSA-N 1 0 410.449 2.930 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000806371527 1079659817 /nfs/dbraw/zinc/65/98/17/1079659817.db2.gz KNGIGXYMVBLXBN-FQEVSTJZSA-N 1 0 417.554 2.746 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCCC[C@@H]3COC(=O)N(C)C)c2)CC1 ZINC000806431142 1079676646 /nfs/dbraw/zinc/67/66/46/1079676646.db2.gz MXWVUFIZZMOVMW-HXUWFJFHSA-N 1 0 417.554 2.913 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000806401105 1079688652 /nfs/dbraw/zinc/68/86/52/1079688652.db2.gz QROSBHORIGHJMV-HXUWFJFHSA-N 1 0 402.539 2.697 20 0 HFADRO C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000806404112 1079691328 /nfs/dbraw/zinc/69/13/28/1079691328.db2.gz AIBMROUSOHHDOI-VQTJNVASSA-N 1 0 424.586 2.531 20 0 HFADRO CC[NH+](CC)CCOCCN(Cc1ccccc1)C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806493013 1079743574 /nfs/dbraw/zinc/74/35/74/1079743574.db2.gz MSFKEPKPIBYUEW-UHFFFAOYSA-N 1 0 424.549 2.734 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000806497157 1079747968 /nfs/dbraw/zinc/74/79/68/1079747968.db2.gz BLITZBWGLAJGCC-UXHICEINSA-N 1 0 404.555 2.858 20 0 HFADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@H]2CCCC23OCCO3)cc1 ZINC000806496701 1079748293 /nfs/dbraw/zinc/74/82/93/1079748293.db2.gz IBCIDQYYLVRZJO-LJQANCHMSA-N 1 0 401.507 2.983 20 0 HFADRO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccccc1 ZINC001130650761 1079749594 /nfs/dbraw/zinc/74/95/94/1079749594.db2.gz CZMONCLAYAIDIK-WOJBJXKFSA-N 1 0 401.551 2.732 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)NCc1cccc(N2CCOC2=O)c1)c1ccc(F)cc1 ZINC000806505816 1079756954 /nfs/dbraw/zinc/75/69/54/1079756954.db2.gz ZBBAXXZATWKBHD-IBGZPJMESA-N 1 0 400.454 2.884 20 0 HFADRO CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2CSCCS2)CC1)CC(C)C ZINC000806475710 1079762680 /nfs/dbraw/zinc/76/26/80/1079762680.db2.gz XBXORIOHULKFEK-SFHVURJKSA-N 1 0 415.669 2.558 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000806540644 1079779060 /nfs/dbraw/zinc/77/90/60/1079779060.db2.gz FPWRNRULOPRVSD-QUCCMNQESA-N 1 0 424.586 2.530 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000806633489 1079889161 /nfs/dbraw/zinc/88/91/61/1079889161.db2.gz SLYATYBLTKWEQL-LJQANCHMSA-N 1 0 420.554 2.826 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2cc3cc(Br)ccc3s2)CC1=O ZINC001130707584 1079927651 /nfs/dbraw/zinc/92/76/51/1079927651.db2.gz ZPFBJXBGKPHSFE-UHFFFAOYSA-N 1 0 410.337 2.510 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)CC2)CC1 ZINC000806709816 1079938831 /nfs/dbraw/zinc/93/88/31/1079938831.db2.gz KVRNIFIVYQQHHM-JOCHJYFZSA-N 1 0 418.969 2.898 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000806727138 1079950728 /nfs/dbraw/zinc/95/07/28/1079950728.db2.gz AZDXVZICBDPDGS-RUZDIDTESA-N 1 0 423.557 2.559 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)C1CC1 ZINC000806730252 1079955220 /nfs/dbraw/zinc/95/52/20/1079955220.db2.gz KRJXTDOMHWFDPA-JOCHJYFZSA-N 1 0 423.557 2.557 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000806731816 1079958363 /nfs/dbraw/zinc/95/83/63/1079958363.db2.gz KJWQVAWSHLWFPB-UHFFFAOYSA-N 1 0 415.578 2.645 20 0 HFADRO COc1cccc(OCCC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130732708 1079970213 /nfs/dbraw/zinc/97/02/13/1079970213.db2.gz BBLPISLTHZSYNQ-PKTZIBPZSA-N 1 0 410.514 2.966 20 0 HFADRO O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130733013 1079971005 /nfs/dbraw/zinc/97/10/05/1079971005.db2.gz HNNCPKOYURSDHH-RTBURBONSA-N 1 0 422.451 2.951 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCC2CCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000806770187 1079990671 /nfs/dbraw/zinc/99/06/71/1079990671.db2.gz LOTVPTCZQHTDDH-OAQYLSRUSA-N 1 0 407.505 2.957 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000806789105 1080010558 /nfs/dbraw/zinc/01/05/58/1080010558.db2.gz MMSQUPIKXMHGIX-AABGKKOBSA-N 1 0 417.550 2.607 20 0 HFADRO CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000806796321 1080015616 /nfs/dbraw/zinc/01/56/16/1080015616.db2.gz ZCILDDYLXSCWPQ-YLJYHZDGSA-N 1 0 402.539 2.958 20 0 HFADRO O=C(COCc1ccccn1)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000806812174 1080025217 /nfs/dbraw/zinc/02/52/17/1080025217.db2.gz CZZWSTBZYUWCJK-UHFFFAOYSA-N 1 0 402.926 2.580 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000747352243 1080028626 /nfs/dbraw/zinc/02/86/26/1080028626.db2.gz DLBWCEIXQVOMOA-UHFFFAOYSA-N 1 0 417.579 2.964 20 0 HFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000806823435 1080040036 /nfs/dbraw/zinc/04/00/36/1080040036.db2.gz UWQNQIRWZFEEKL-HSZRJFAPSA-N 1 0 422.577 2.622 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000806831257 1080044999 /nfs/dbraw/zinc/04/49/99/1080044999.db2.gz VVUOHYYWWLGBNG-QGZVFWFLSA-N 1 0 401.532 2.867 20 0 HFADRO CN1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@H]1Cc1ccccc1 ZINC000806853100 1080058670 /nfs/dbraw/zinc/05/86/70/1080058670.db2.gz QIVCGHODBXWDRC-WOJBJXKFSA-N 1 0 416.566 2.858 20 0 HFADRO COC(=O)c1c(C)csc1NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000806870582 1080071326 /nfs/dbraw/zinc/07/13/26/1080071326.db2.gz MDQNXEBEGQXNER-UHFFFAOYSA-N 1 0 421.563 2.943 20 0 HFADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc4cc(OC)ccc4c3)CC2)c1 ZINC000806885354 1080082723 /nfs/dbraw/zinc/08/27/23/1080082723.db2.gz BICHUMYMYBEREX-UHFFFAOYSA-N 1 0 420.469 2.539 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)[C@@H](C)C1 ZINC000806888652 1080085194 /nfs/dbraw/zinc/08/51/94/1080085194.db2.gz KLFZOOGHEJKRTF-IHRRRGAJSA-N 1 0 407.902 2.548 20 0 HFADRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(Cl)c(F)cc1C(=O)Nc1cccnc1 ZINC001170513810 1080087967 /nfs/dbraw/zinc/08/79/67/1080087967.db2.gz BCNCNWHLNHGZDV-UHFFFAOYSA-N 1 0 419.844 2.744 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)C1 ZINC000806897394 1080104385 /nfs/dbraw/zinc/10/43/85/1080104385.db2.gz JNQXBXRLTYJBNS-MSOLQXFVSA-N 1 0 401.551 2.966 20 0 HFADRO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)CC1(C)OCCO1 ZINC000806905252 1080111579 /nfs/dbraw/zinc/11/15/79/1080111579.db2.gz HHXGZVZVNDKIGD-QGZVFWFLSA-N 1 0 400.523 2.631 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000806956250 1080121515 /nfs/dbraw/zinc/12/15/15/1080121515.db2.gz KXVVOJLPPWYSML-LAUBAEHRSA-N 1 0 412.575 2.576 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000807007900 1080206297 /nfs/dbraw/zinc/20/62/97/1080206297.db2.gz RTUUXBWANGQCCG-FXAWDEMLSA-N 1 0 417.554 2.917 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000807050775 1080234088 /nfs/dbraw/zinc/23/40/88/1080234088.db2.gz BBOAZUHSXQAOIE-IJXRJRJASA-N 1 0 403.592 2.661 20 0 HFADRO CC(C)Cn1ncc(NC(=O)C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1C1CC1 ZINC000807074142 1080256994 /nfs/dbraw/zinc/25/69/94/1080256994.db2.gz KJZNJKVNTWIJRT-UHFFFAOYSA-N 1 0 401.555 2.689 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000807077282 1080258661 /nfs/dbraw/zinc/25/86/61/1080258661.db2.gz FPMLDSGBYZUDQL-ARRNDQADSA-N 1 0 405.539 2.919 20 0 HFADRO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2COC3(CCOCC3)O2)[NH+](C)C)cc1 ZINC000807077491 1080258808 /nfs/dbraw/zinc/25/88/08/1080258808.db2.gz HVHSMLGLSGNEEK-LEWJYISDSA-N 1 0 419.566 2.709 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)c1ccc(Cl)cc1 ZINC000807079489 1080260063 /nfs/dbraw/zinc/26/00/63/1080260063.db2.gz XAFQKGXPSLUYPM-GOSISDBHSA-N 1 0 403.910 2.925 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089568 1080267640 /nfs/dbraw/zinc/26/76/40/1080267640.db2.gz HSYVEITZNQVFFE-SIKLNZKXSA-N 1 0 415.578 2.755 20 0 HFADRO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000807150958 1080308394 /nfs/dbraw/zinc/30/83/94/1080308394.db2.gz VLHMNBLNNQAUNZ-NXHRZFHOSA-N 1 0 411.468 2.957 20 0 HFADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1nc(Br)sc1C1CC1 ZINC000807166176 1080322958 /nfs/dbraw/zinc/32/29/58/1080322958.db2.gz RXPIIKZCWDTQEG-LBPRGKRZSA-N 1 0 402.358 2.750 20 0 HFADRO CCOC(=O)CC1([NH2+][C@@H]2CC[C@@H](C(=O)OC)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001170518525 1080330546 /nfs/dbraw/zinc/33/05/46/1080330546.db2.gz GYWGZTWPABHJML-HZPDHXFCSA-N 1 0 412.527 2.641 20 0 HFADRO CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1)CC1CC1 ZINC000807188534 1080337198 /nfs/dbraw/zinc/33/71/98/1080337198.db2.gz VWWQTGXMUCFZLY-QGZVFWFLSA-N 1 0 403.489 2.900 20 0 HFADRO CS[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807200027 1080348581 /nfs/dbraw/zinc/34/85/81/1080348581.db2.gz CEJRAVBDIBNSSR-JQVVWYNYSA-N 1 0 403.592 2.805 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]([NH+]4CCCC4)C[C@H]3C)C2)cc1F ZINC000807213341 1080365248 /nfs/dbraw/zinc/36/52/48/1080365248.db2.gz FCTQVFFGORBAJU-OIISXLGYSA-N 1 0 404.486 2.596 20 0 HFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c2)CC1 ZINC000807181372 1080375775 /nfs/dbraw/zinc/37/57/75/1080375775.db2.gz PLGIZDDJTMVEBI-UHFFFAOYSA-N 1 0 401.898 2.617 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@]3(O)CCc4ccccc43)cc2)CC1 ZINC000807254852 1080412792 /nfs/dbraw/zinc/41/27/92/1080412792.db2.gz HGCQDDVYXCXECD-DEOSSOPVSA-N 1 0 409.530 2.793 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CSCN3C(C)=O)cc2Cl)CC1 ZINC000747380188 1080414400 /nfs/dbraw/zinc/41/44/00/1080414400.db2.gz PZBGIZIOKQZZTP-SFHVURJKSA-N 1 0 410.971 2.732 20 0 HFADRO CCOC(=O)C1=C(Nc2ccc(CC(=O)OC)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC001170520988 1080439258 /nfs/dbraw/zinc/43/92/58/1080439258.db2.gz DGGKEVIJPOUPBT-UHFFFAOYSA-N 1 0 409.486 2.932 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000807261997 1080467523 /nfs/dbraw/zinc/46/75/23/1080467523.db2.gz IXGPPQUAAHGZMQ-UHFFFAOYSA-N 1 0 413.537 2.852 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000747389551 1080475070 /nfs/dbraw/zinc/47/50/70/1080475070.db2.gz JSSCCLHGNUZGBF-QGZVFWFLSA-N 1 0 415.563 2.718 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)OC)c(F)c1)c1ccco1 ZINC000807310433 1080503612 /nfs/dbraw/zinc/50/36/12/1080503612.db2.gz IKWFPXWIARVGHN-WBMJQRKESA-N 1 0 420.441 2.781 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cnc(Br)c(C)c1)c1ccco1 ZINC000807310598 1080504369 /nfs/dbraw/zinc/50/43/69/1080504369.db2.gz NRXXVFIUWBLVOF-GXTWGEPZSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)c1ccco1 ZINC000807310535 1080505291 /nfs/dbraw/zinc/50/52/91/1080505291.db2.gz LTGOTPLOQCQMFY-OLZOCXBDSA-N 1 0 423.311 2.930 20 0 HFADRO CCOC(=O)Cc1c[nH]cnc1=NC1=C(C(=O)OCC)C[N@H+](Cc2ccccc2)CC1 ZINC001170521783 1080513622 /nfs/dbraw/zinc/51/36/22/1080513622.db2.gz PENBMGBKGIQEPO-UHFFFAOYSA-N 1 0 424.501 2.717 20 0 HFADRO COc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1F ZINC000807354727 1080516801 /nfs/dbraw/zinc/51/68/01/1080516801.db2.gz HTUKICHARIWNAA-QHCPKHFHSA-N 1 0 411.477 2.897 20 0 HFADRO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1N1CCSCC1 ZINC000807355561 1080518103 /nfs/dbraw/zinc/51/81/03/1080518103.db2.gz RYVPIIPIVFKBGP-PKOBYXMFSA-N 1 0 416.591 2.572 20 0 HFADRO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000807358045 1080519233 /nfs/dbraw/zinc/51/92/33/1080519233.db2.gz OKSXAZGMVYNPME-SJPCQFCGSA-N 1 0 401.507 2.619 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000807358472 1080520825 /nfs/dbraw/zinc/52/08/25/1080520825.db2.gz XVFUNAVWELUJIO-UHFFFAOYSA-N 1 0 422.957 2.705 20 0 HFADRO CCOC(=O)C1=C(Nc2cncc(C(=O)N(C)C)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522210 1080524103 /nfs/dbraw/zinc/52/41/03/1080524103.db2.gz CAEOMDACHOLOAI-UHFFFAOYSA-N 1 0 408.502 2.918 20 0 HFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(F)(F)C1(O)CCC1 ZINC000764180466 1080533716 /nfs/dbraw/zinc/53/37/16/1080533716.db2.gz JJUNZJPANMDRAU-UHFFFAOYSA-N 1 0 401.885 2.519 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807334967 1080534786 /nfs/dbraw/zinc/53/47/86/1080534786.db2.gz YNVIGCPRNJQQMS-UHFFFAOYSA-N 1 0 417.735 2.770 20 0 HFADRO C[C@@H]1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000807394104 1080560547 /nfs/dbraw/zinc/56/05/47/1080560547.db2.gz ZHTVZPYRYFCIEU-XMSQKQJNSA-N 1 0 406.530 2.987 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c([C@@H](C)O)c3)cc2)CC1 ZINC000807398313 1080563593 /nfs/dbraw/zinc/56/35/93/1080563593.db2.gz PMDAMFYCVSHAMI-OAHLLOKOSA-N 1 0 414.481 2.598 20 0 HFADRO CCOC(=O)Cc1ncncc1N=C1CC[N@H+](Cc2ccccc2)CC1C(=O)OCC ZINC001170522655 1080582180 /nfs/dbraw/zinc/58/21/80/1080582180.db2.gz PDCAGMUDCDESSL-UHFFFAOYSA-N 1 0 424.501 2.717 20 0 HFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@H](O)c2nccn2C)CC1)[NH+](C)C ZINC000807407025 1080601902 /nfs/dbraw/zinc/60/19/02/1080601902.db2.gz HLGDAWZUCITEFN-QMMLZNLJSA-N 1 0 413.566 2.875 20 0 HFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccccc3CSC3=NCCS3)CC2)C1 ZINC000747397521 1080602506 /nfs/dbraw/zinc/60/25/06/1080602506.db2.gz PXLLJLPOVNQKHU-SFHVURJKSA-N 1 0 418.632 2.875 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807452931 1080633480 /nfs/dbraw/zinc/63/34/80/1080633480.db2.gz IKLZGBHVAREYDL-GXFFZTMASA-N 1 0 415.719 2.521 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807452933 1080633511 /nfs/dbraw/zinc/63/35/11/1080633511.db2.gz IKLZGBHVAREYDL-MFKMUULPSA-N 1 0 415.719 2.521 20 0 HFADRO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000807453875 1080634225 /nfs/dbraw/zinc/63/42/25/1080634225.db2.gz PCFNKRSSBPJMOS-DNVCBOLYSA-N 1 0 401.507 2.620 20 0 HFADRO Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c3ccc(F)cc3)cc2)o1 ZINC000807485964 1080667555 /nfs/dbraw/zinc/66/75/55/1080667555.db2.gz ITGWSLYLVVDRBB-GOSISDBHSA-N 1 0 411.437 2.542 20 0 HFADRO COC(=O)Nc1cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ccc1F ZINC000807486409 1080668129 /nfs/dbraw/zinc/66/81/29/1080668129.db2.gz HOGBHRMOWKXJMH-QGZVFWFLSA-N 1 0 420.416 2.501 20 0 HFADRO COC(=O)Nc1cc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)ccc1F ZINC000807486407 1080668194 /nfs/dbraw/zinc/66/81/94/1080668194.db2.gz HOGBHRMOWKXJMH-KRWDZBQOSA-N 1 0 420.416 2.501 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000807496009 1080690555 /nfs/dbraw/zinc/69/05/55/1080690555.db2.gz HYQSOPOPKPJNAT-DEOSSOPVSA-N 1 0 415.578 2.515 20 0 HFADRO CCN(C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807502145 1080700109 /nfs/dbraw/zinc/70/01/09/1080700109.db2.gz ZEGATIFBBOVFON-RCZVLFRGSA-N 1 0 423.557 2.523 20 0 HFADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 ZINC000807511470 1080716461 /nfs/dbraw/zinc/71/64/61/1080716461.db2.gz XXFGXVDJVZQWLM-UHFFFAOYSA-N 1 0 415.578 2.513 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)[NH+](C)C)cc1 ZINC000807510587 1080718551 /nfs/dbraw/zinc/71/85/51/1080718551.db2.gz ZZWBXRNJDQQNMV-OAQYLSRUSA-N 1 0 412.534 2.897 20 0 HFADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000807543080 1080758863 /nfs/dbraw/zinc/75/88/63/1080758863.db2.gz IQNWHOLAQNIUCW-DYESRHJHSA-N 1 0 423.513 2.510 20 0 HFADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000807542862 1080759390 /nfs/dbraw/zinc/75/93/90/1080759390.db2.gz FVTDJTTYNGMSJB-CZUORRHYSA-N 1 0 417.307 2.562 20 0 HFADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543550 1080761052 /nfs/dbraw/zinc/76/10/52/1080761052.db2.gz IQESSYBYVMTGMS-OXQOHEQNSA-N 1 0 424.501 2.607 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807547006 1080763027 /nfs/dbraw/zinc/76/30/27/1080763027.db2.gz VKSRMJXREMJHMG-PMOQBDJRSA-N 1 0 423.557 2.514 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000807548799 1080764890 /nfs/dbraw/zinc/76/48/90/1080764890.db2.gz FLHFCHWKHHYFFF-HNNXBMFYSA-N 1 0 412.328 2.909 20 0 HFADRO COC[C@]1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807550592 1080767333 /nfs/dbraw/zinc/76/73/33/1080767333.db2.gz IHJIWWUPEFBBMS-CBGDNZLLSA-N 1 0 412.575 2.527 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807551641 1080768056 /nfs/dbraw/zinc/76/80/56/1080768056.db2.gz XSVPDTRRFKJOIW-LAUBAEHRSA-N 1 0 412.575 2.575 20 0 HFADRO Cc1cccc(F)c1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000807520630 1080773859 /nfs/dbraw/zinc/77/38/59/1080773859.db2.gz JMMOEFCRSCMDKJ-UHFFFAOYSA-N 1 0 407.436 2.619 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000747404900 1080786968 /nfs/dbraw/zinc/78/69/68/1080786968.db2.gz JANKKHFUVRVAOO-QAPCUYQASA-N 1 0 417.579 2.821 20 0 HFADRO Cn1cc(/C=C/C(=O)OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000807581177 1080793161 /nfs/dbraw/zinc/79/31/61/1080793161.db2.gz QLZPVXIPIRBHSQ-CSHXORCISA-N 1 0 416.909 2.583 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807582542 1080793482 /nfs/dbraw/zinc/79/34/82/1080793482.db2.gz PEFRXTNLRQBMCW-QAPCUYQASA-N 1 0 420.966 2.954 20 0 HFADRO CON(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807582561 1080794139 /nfs/dbraw/zinc/79/41/39/1080794139.db2.gz PZPHALCYLPFZTD-PKOBYXMFSA-N 1 0 401.532 2.837 20 0 HFADRO COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cncn1C ZINC001130995871 1080799723 /nfs/dbraw/zinc/79/97/23/1080799723.db2.gz OJPPOUQAFWNTEL-FDKIHUSFSA-N 1 0 400.567 2.723 20 0 HFADRO OC[C@@]1([NH2+]Cc2nccn2CC(F)F)CCc2cc(Br)ccc2C1 ZINC001171949496 1126148655 /nfs/dbraw/zinc/14/86/55/1126148655.db2.gz TYGSLIKNKKCPHZ-QGZVFWFLSA-N 1 0 400.267 2.920 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001308037630 1126162401 /nfs/dbraw/zinc/16/24/01/1126162401.db2.gz FJWWGKQELYCQNG-QZTJIDSGSA-N 1 0 416.465 2.561 20 0 HFADRO O=c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)nc2ccc(Cl)cn12 ZINC001560100059 1126207686 /nfs/dbraw/zinc/20/76/86/1126207686.db2.gz DCOIRFUULLOKOE-MAUKXSAKSA-N 1 0 411.811 2.972 20 0 HFADRO [NH3+]C1CC2(C1)CCN([C@@]1(F)CN(C3CCCC3)c3nc(Cl)ncc3NC1=O)CC2 ZINC001164388113 718802105 /nfs/dbraw/zinc/80/21/05/718802105.db2.gz SZUAJENNPRXKSD-FQEVSTJZSA-N 1 0 422.936 2.700 20 0 HFADRO C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@@H]4C2)n1)CCC3)N1CCCCC1 ZINC001164389891 718824566 /nfs/dbraw/zinc/82/45/66/718824566.db2.gz KLDHHYWVXKKRIB-IAGOWNOFSA-N 1 0 413.591 2.733 20 0 HFADRO C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164389436 718824962 /nfs/dbraw/zinc/82/49/62/718824962.db2.gz IIIBMZNALAPJRX-SJORKVTESA-N 1 0 413.591 2.733 20 0 HFADRO C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164389432 718825068 /nfs/dbraw/zinc/82/50/68/718825068.db2.gz IIIBMZNALAPJRX-DLBZAZTESA-N 1 0 413.591 2.733 20 0 HFADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)cnc2Cl)c1 ZINC001164401277 718855151 /nfs/dbraw/zinc/85/51/51/718855151.db2.gz AFPHRDKOHFLLRI-KXBFYZLASA-N 1 0 409.864 2.974 20 0 HFADRO [NH3+][C@]12C[C@H]1CN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164416669 718887987 /nfs/dbraw/zinc/88/79/87/718887987.db2.gz FNVHQGVMKINSPH-AOMKIAJQSA-N 1 0 407.543 2.728 20 0 HFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCCCC12CC[NH2+]CC2 ZINC001164419892 718910374 /nfs/dbraw/zinc/91/03/74/718910374.db2.gz CZZHTDTUHHPJAS-UHFFFAOYSA-N 1 0 401.889 2.624 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164620389 719006651 /nfs/dbraw/zinc/00/66/51/719006651.db2.gz YUPJJMVKJYDFKX-ACJLOTCBSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164620390 719006654 /nfs/dbraw/zinc/00/66/54/719006654.db2.gz YUPJJMVKJYDFKX-FZKQIMNGSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164617793 719007415 /nfs/dbraw/zinc/00/74/15/719007415.db2.gz PUGDIHQEHZQZFR-RDTXWAMCSA-N 1 0 414.884 2.824 20 0 HFADRO NC(=O)c1ccc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1Cl ZINC001164621277 719043809 /nfs/dbraw/zinc/04/38/09/719043809.db2.gz IEWXDRDGYIRHEE-BEFAXECRSA-N 1 0 406.864 2.962 20 0 HFADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164635250 719136707 /nfs/dbraw/zinc/13/67/07/719136707.db2.gz WQKNLWHPCYTVGN-INIZCTEOSA-N 1 0 411.836 2.810 20 0 HFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000508342130 719236228 /nfs/dbraw/zinc/23/62/28/719236228.db2.gz TZOJGURVEMYNPY-HOTGVXAUSA-N 1 0 415.607 2.931 20 0 HFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)C[C@H]21 ZINC001164671578 719411243 /nfs/dbraw/zinc/41/12/43/719411243.db2.gz QEQHRFBMCZIKMS-HZPDHXFCSA-N 1 0 424.021 2.916 20 0 HFADRO CC(C)N(C)Cc1nn(C(F)(F)c2ccc3ncnc(Cl)c3n2)c2c1CC[NH2+]C2 ZINC001164681256 719630213 /nfs/dbraw/zinc/63/02/13/719630213.db2.gz FLFRGYRQZRYLLE-UHFFFAOYSA-N 1 0 421.883 2.958 20 0 HFADRO COc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164684114 719655033 /nfs/dbraw/zinc/65/50/33/719655033.db2.gz WEWAXZMYBDAABV-SFHVURJKSA-N 1 0 423.561 2.579 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164685210 719707521 /nfs/dbraw/zinc/70/75/21/719707521.db2.gz SENFWNKATORDSU-UHFFFAOYSA-N 1 0 408.280 2.509 20 0 HFADRO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164686767 719730236 /nfs/dbraw/zinc/73/02/36/719730236.db2.gz RPNMVXZFYQAZID-UHFFFAOYSA-N 1 0 410.518 2.592 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164684754 719734641 /nfs/dbraw/zinc/73/46/41/719734641.db2.gz KKIVKPFTBQFXMT-UHFFFAOYSA-N 1 0 411.884 2.942 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001164704292 719885447 /nfs/dbraw/zinc/88/54/47/719885447.db2.gz UZYLFYSMYNMVSX-BMFZPTHFSA-N 1 0 401.898 2.593 20 0 HFADRO NC(=O)c1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1Cl ZINC001164694666 719887852 /nfs/dbraw/zinc/88/78/52/719887852.db2.gz BXZJSXFBETYABB-UHFFFAOYSA-N 1 0 406.939 2.767 20 0 HFADRO Clc1[n-][nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c2ncnc1-2 ZINC001164699326 719895229 /nfs/dbraw/zinc/89/52/29/719895229.db2.gz ZUCKUOXDXXSXDC-UHFFFAOYSA-N 1 0 404.927 2.939 20 0 HFADRO c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(Cn5cncn5)cn4)CC3)C2)c1 ZINC001164698955 719898726 /nfs/dbraw/zinc/89/87/26/719898726.db2.gz UTXUISHYNKZTJO-UHFFFAOYSA-N 1 0 410.547 2.654 20 0 HFADRO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707545 719899928 /nfs/dbraw/zinc/89/99/28/719899928.db2.gz TWXAYOPHYUXMFM-UHFFFAOYSA-N 1 0 422.938 2.850 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)ccn1)CC2 ZINC001164710994 720095635 /nfs/dbraw/zinc/09/56/35/720095635.db2.gz MPHPOKOQGCEIHQ-FQEVSTJZSA-N 1 0 410.518 2.771 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c1ncn3C)CC2 ZINC001164710175 720102637 /nfs/dbraw/zinc/10/26/37/720102637.db2.gz GRANVAZGNJIIOM-LJQANCHMSA-N 1 0 406.534 2.871 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c[n+]1[O-])CC2 ZINC001164713575 720135828 /nfs/dbraw/zinc/13/58/28/720135828.db2.gz SEWXFCKCBPHQSY-IBGZPJMESA-N 1 0 402.926 2.876 20 0 HFADRO CCNC(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164714693 720140507 /nfs/dbraw/zinc/14/05/07/720140507.db2.gz YAAHTCAOCXGXRC-NRFANRHFSA-N 1 0 423.561 2.734 20 0 HFADRO CCNC(=O)c1ccc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164714696 720141912 /nfs/dbraw/zinc/14/19/12/720141912.db2.gz YAAHTCAOCXGXRC-OAQYLSRUSA-N 1 0 423.561 2.734 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164819014 720168912 /nfs/dbraw/zinc/16/89/12/720168912.db2.gz VFLCXTVLVARAOL-QAPCUYQASA-N 1 0 416.900 2.782 20 0 HFADRO COc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc2ccccc21 ZINC001164714502 720190708 /nfs/dbraw/zinc/19/07/08/720190708.db2.gz FZRARKFGGWENFO-FQEVSTJZSA-N 1 0 422.533 2.588 20 0 HFADRO Cn1nnc2c1CCN(c1cc3ccc(F)cc3cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717073 720198705 /nfs/dbraw/zinc/19/87/05/720198705.db2.gz RXAUDCAHJHGWFH-HXUWFJFHSA-N 1 0 410.497 2.719 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164815461 720202454 /nfs/dbraw/zinc/20/24/54/720202454.db2.gz ZPWFJMODFSQJJP-SJLPKXTDSA-N 1 0 401.885 2.703 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](F)Oc1ccc(Cl)nc1)CCC2 ZINC001164811977 720224495 /nfs/dbraw/zinc/22/44/95/720224495.db2.gz BQIQHNMMAXHGDP-LJQANCHMSA-N 1 0 409.893 2.670 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824498 720289170 /nfs/dbraw/zinc/28/91/70/720289170.db2.gz RFXOTULUGAFMSE-GJZGRUSLSA-N 1 0 409.987 2.763 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3ccoc32)CC1 ZINC001164820529 720300058 /nfs/dbraw/zinc/30/00/58/720300058.db2.gz HINUFFHVAJWCDP-HZPDHXFCSA-N 1 0 403.914 2.788 20 0 HFADRO COc1ccc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164826766 720304110 /nfs/dbraw/zinc/30/41/10/720304110.db2.gz WKEMHZKEJWOLBJ-RTWAWAEBSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3[C@@H](F)Oc2ccnc(Cl)c2)CC1 ZINC001164822566 720306834 /nfs/dbraw/zinc/30/68/34/720306834.db2.gz NDPXIJPCLIVATI-FUHIMQAGSA-N 1 0 410.921 2.774 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CSC3)CC1 ZINC001164821908 720308628 /nfs/dbraw/zinc/30/86/28/720308628.db2.gz LXKQDYDOXJKSAW-IRXDYDNUSA-N 1 0 421.998 2.788 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3ncsc32)CC1 ZINC001164829070 720319697 /nfs/dbraw/zinc/31/96/97/720319697.db2.gz LQJVVEUWSUYXNK-KGLIPLIRSA-N 1 0 420.970 2.651 20 0 HFADRO CCc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)nc1C ZINC001164828839 720354569 /nfs/dbraw/zinc/35/45/69/720354569.db2.gz QHDXQESHONNHOV-ZWKOTPCHSA-N 1 0 405.974 2.912 20 0 HFADRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1C(=O)OCC ZINC001164722468 720484254 /nfs/dbraw/zinc/48/42/54/720484254.db2.gz AUGNSJSYWYUDOC-MOPGFXCFSA-N 1 0 424.501 2.683 20 0 HFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727616 720503062 /nfs/dbraw/zinc/50/30/62/720503062.db2.gz NOYXLQAYKTWENL-REWPJTCUSA-N 1 0 407.518 2.695 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1N1CCCC1 ZINC001164836552 720504718 /nfs/dbraw/zinc/50/47/18/720504718.db2.gz NESCFYGSAYGFBB-PCCBWWKXSA-N 1 0 409.582 2.960 20 0 HFADRO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164840065 720520176 /nfs/dbraw/zinc/52/01/76/720520176.db2.gz WFPHCMCYYNBKIR-WSTZPKSXSA-N 1 0 412.538 2.616 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)C1 ZINC001164733307 720521431 /nfs/dbraw/zinc/52/14/31/720521431.db2.gz IVTZKPTVHUMARV-LLVKDONJSA-N 1 0 405.280 2.809 20 0 HFADRO COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1F ZINC001164833748 720525637 /nfs/dbraw/zinc/52/56/37/720525637.db2.gz DQJRANIAQQNKPN-FRQCXROJSA-N 1 0 401.486 2.582 20 0 HFADRO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2[nH]1 ZINC001164841311 720525743 /nfs/dbraw/zinc/52/57/43/720525743.db2.gz YFVSIGMMFYQHDQ-HRCADAONSA-N 1 0 414.945 2.889 20 0 HFADRO Cc1ccc(-c2nc3c(ncnc3N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)o2)cc1 ZINC001164735150 720525942 /nfs/dbraw/zinc/52/59/42/720525942.db2.gz VDFMTXCEVRNLCK-MRXNPFEDSA-N 1 0 403.490 2.988 20 0 HFADRO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2[nH]1 ZINC001164841309 720526271 /nfs/dbraw/zinc/52/62/71/720526271.db2.gz YFVSIGMMFYQHDQ-BZUAXINKSA-N 1 0 414.945 2.889 20 0 HFADRO Cc1nc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2[nH]1 ZINC001164841307 720526718 /nfs/dbraw/zinc/52/67/18/720526718.db2.gz YFVSIGMMFYQHDQ-ARFHVFGLSA-N 1 0 414.945 2.889 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164837353 720538104 /nfs/dbraw/zinc/53/81/04/720538104.db2.gz LXMLYASQDYVPIX-QWFCFKBJSA-N 1 0 412.538 2.536 20 0 HFADRO COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(SC)n1 ZINC001164836657 720543229 /nfs/dbraw/zinc/54/32/29/720543229.db2.gz KNUPHALXGLLXGH-BRWVUGGUSA-N 1 0 402.568 2.781 20 0 HFADRO COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(SC)n1 ZINC001164836658 720544033 /nfs/dbraw/zinc/54/40/33/720544033.db2.gz KNUPHALXGLLXGH-GVDBMIGSSA-N 1 0 402.568 2.781 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836769 720553686 /nfs/dbraw/zinc/55/36/86/720553686.db2.gz KWZTVEHPLNRMJC-HLAWJBBLSA-N 1 0 408.550 2.548 20 0 HFADRO CC(C)(C)OC(=O)Nc1nccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164734145 720559627 /nfs/dbraw/zinc/55/96/27/720559627.db2.gz WAOHAZYDURBCKS-UHFFFAOYSA-N 1 0 413.526 2.679 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H](F)Oc3cncc(Cl)n3)CC[C@@H]21 ZINC001164837721 720635537 /nfs/dbraw/zinc/63/55/37/720635537.db2.gz IPRUYNIWJNCFGT-PASDCYSWSA-N 1 0 408.909 2.832 20 0 HFADRO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838213 720644539 /nfs/dbraw/zinc/64/45/39/720644539.db2.gz GIFYUTCIILOZMT-NJDAHSKKSA-N 1 0 411.550 2.762 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164841190 720700508 /nfs/dbraw/zinc/70/05/08/720700508.db2.gz ICAMYEROKZIMKZ-HXUWFJFHSA-N 1 0 404.518 2.922 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001164836478 720709029 /nfs/dbraw/zinc/70/90/29/720709029.db2.gz BGSPYJKVTZXYDV-LJQANCHMSA-N 1 0 415.559 2.745 20 0 HFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737173 720727340 /nfs/dbraw/zinc/72/73/40/720727340.db2.gz AJBREFAWMFIZCD-ZWKOTPCHSA-N 1 0 419.485 2.543 20 0 HFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838095 720738243 /nfs/dbraw/zinc/73/82/43/720738243.db2.gz RNELRAMSRUXSLF-UHFFFAOYSA-N 1 0 424.883 2.628 20 0 HFADRO FC(F)(COc1ccc(Cl)nn1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837409 720739146 /nfs/dbraw/zinc/73/91/46/720739146.db2.gz IYXCUWUTIXHAIL-UHFFFAOYSA-N 1 0 412.872 2.846 20 0 HFADRO c1ccc(COc2cccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164739893 720739889 /nfs/dbraw/zinc/73/98/89/720739889.db2.gz JIZBLHGHFYNIBJ-WOJBJXKFSA-N 1 0 403.486 2.793 20 0 HFADRO Fc1cc2ncnc(Cl)c2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744919 720746307 /nfs/dbraw/zinc/74/63/07/720746307.db2.gz TUVYUCLMGUXSAD-ZIAGYGMSSA-N 1 0 400.845 2.554 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746973 720751918 /nfs/dbraw/zinc/75/19/18/720751918.db2.gz ZKGSCFLIRWKEEU-SJORKVTESA-N 1 0 412.494 2.561 20 0 HFADRO Cc1cc(-c2cccc(F)c2)nnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749280 720801633 /nfs/dbraw/zinc/80/16/33/720801633.db2.gz SXTWWNSCOLYWPK-RTBURBONSA-N 1 0 406.465 2.723 20 0 HFADRO Clc1nc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C2CC2)n1 ZINC001164746634 720803498 /nfs/dbraw/zinc/80/34/98/720803498.db2.gz MCXCKNPPTUQEGB-STQMWFEESA-N 1 0 407.305 2.793 20 0 HFADRO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744185 720808072 /nfs/dbraw/zinc/80/80/72/720808072.db2.gz HWQYJONMCWHPGC-ARFHVFGLSA-N 1 0 423.899 2.646 20 0 HFADRO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744187 720808099 /nfs/dbraw/zinc/80/80/99/720808099.db2.gz HWQYJONMCWHPGC-BZUAXINKSA-N 1 0 423.899 2.646 20 0 HFADRO Cc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741424 720819152 /nfs/dbraw/zinc/81/91/52/720819152.db2.gz NVPJCHBXBYKRRT-CNNODRBYSA-N 1 0 403.534 2.909 20 0 HFADRO Clc1nc2cnccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739852 720821748 /nfs/dbraw/zinc/82/17/48/720821748.db2.gz JBZIHSGSQYZXGL-TXPKVOOTSA-N 1 0 424.940 2.649 20 0 HFADRO COc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164738365 720825039 /nfs/dbraw/zinc/82/50/39/720825039.db2.gz FBJGZRUTBADZAD-XYJFISCASA-N 1 0 402.930 2.715 20 0 HFADRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164738831 720825117 /nfs/dbraw/zinc/82/51/17/720825117.db2.gz GWSPLVZROSJPNM-NNMXDRDESA-N 1 0 403.534 2.909 20 0 HFADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746081 720828969 /nfs/dbraw/zinc/82/89/69/720828969.db2.gz XXMQBBJIINWNGH-CIWUYKSXSA-N 1 0 420.920 2.833 20 0 HFADRO CCOC(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737999 720829054 /nfs/dbraw/zinc/82/90/54/720829054.db2.gz DFOHKTPZCQTQJI-QKNQBKEWSA-N 1 0 424.549 2.538 20 0 HFADRO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164742127 720831441 /nfs/dbraw/zinc/83/14/41/720831441.db2.gz PYSHHNPGUMOCCQ-JAXLGGSGSA-N 1 0 403.534 2.909 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@H]2C1 ZINC001164855258 720833864 /nfs/dbraw/zinc/83/38/64/720833864.db2.gz SYVUSFPMECLQQH-WCQYABFASA-N 1 0 411.280 2.502 20 0 HFADRO Fc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164748046 720840252 /nfs/dbraw/zinc/84/02/52/720840252.db2.gz SIXMLXJBQADMHP-HFSMHLIXSA-N 1 0 407.497 2.740 20 0 HFADRO Fc1cnc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164745245 720842514 /nfs/dbraw/zinc/84/25/14/720842514.db2.gz NBFFSRRYOVTPLG-YRISNDGFSA-N 1 0 407.497 2.740 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740440 720843738 /nfs/dbraw/zinc/84/37/38/720843738.db2.gz BSKJUYXIIKQNOE-OWCLPIDISA-N 1 0 419.986 2.823 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC[C@H]2C1 ZINC001164851565 720855601 /nfs/dbraw/zinc/85/56/01/720855601.db2.gz AYYCMPNCVVDNMV-XJKSGUPXSA-N 1 0 414.884 2.935 20 0 HFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164858183 720865170 /nfs/dbraw/zinc/86/51/70/720865170.db2.gz RMMKVPRXJLPMQM-WIYYLYMNSA-N 1 0 413.518 2.585 20 0 HFADRO c1cc2nccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2n1 ZINC001164752975 720867479 /nfs/dbraw/zinc/86/74/79/720867479.db2.gz OAQGPLIHTXBFJU-QPPBQGQZSA-N 1 0 418.545 2.879 20 0 HFADRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164754816 720868489 /nfs/dbraw/zinc/86/84/89/720868489.db2.gz SPUJCJXCZHNIRC-NFBKMPQASA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@@H]2C1 ZINC001164859499 720869712 /nfs/dbraw/zinc/86/97/12/720869712.db2.gz UDRGOAXXCBEGIJ-HUUCEWRRSA-N 1 0 414.884 2.935 20 0 HFADRO CN(C)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164751519 720869821 /nfs/dbraw/zinc/86/98/21/720869821.db2.gz KRVKELMKNBAFPF-URXFXBBRSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@H]2C1 ZINC001164856909 720892931 /nfs/dbraw/zinc/89/29/31/720892931.db2.gz HYCCGMIYTUZOHP-KBXCAEBGSA-N 1 0 415.912 2.942 20 0 HFADRO CCOC(=O)Cc1nc(Cl)cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863237 720953879 /nfs/dbraw/zinc/95/38/79/720953879.db2.gz ZAUXPDBAAUXHOK-CQSZACIVSA-N 1 0 420.945 2.854 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@H](OCc5ccccn5)CO4)C3)n2)CC1 ZINC001164760804 721029713 /nfs/dbraw/zinc/02/97/13/721029713.db2.gz DIJAPCZIGLMZEZ-XUZZJYLKSA-N 1 0 423.561 2.573 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164762226 721038933 /nfs/dbraw/zinc/03/89/33/721038933.db2.gz GWUSDTSVPMKZDD-QHAWAJNXSA-N 1 0 408.550 2.855 20 0 HFADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1Cl ZINC001164869070 721052806 /nfs/dbraw/zinc/05/28/06/721052806.db2.gz RHWBJPBBVITXTL-IAGOWNOFSA-N 1 0 416.909 2.786 20 0 HFADRO COc1ccc2nc(Cl)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164762493 721072337 /nfs/dbraw/zinc/07/23/37/721072337.db2.gz FDGWUQQNEMPXKX-HOTGVXAUSA-N 1 0 412.925 2.984 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)SCC2 ZINC001164870621 721073667 /nfs/dbraw/zinc/07/36/67/721073667.db2.gz WKXGQVMXGXSYNW-HUUCEWRRSA-N 1 0 403.939 2.653 20 0 HFADRO COC(=O)c1ccc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865559 721076830 /nfs/dbraw/zinc/07/68/30/721076830.db2.gz MVQYPCXSHCAOJI-NHCUHLMSSA-N 1 0 418.497 2.896 20 0 HFADRO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773483 721079394 /nfs/dbraw/zinc/07/93/94/721079394.db2.gz XJMAVXDKLKHMII-IAGOWNOFSA-N 1 0 417.941 2.912 20 0 HFADRO c1ccc(COc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864029 721086410 /nfs/dbraw/zinc/08/64/10/721086410.db2.gz DNPNUIGTRIOHJE-FCHUYYIVSA-N 1 0 417.513 2.930 20 0 HFADRO Fc1ncccc1-c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864375 721116532 /nfs/dbraw/zinc/11/65/32/721116532.db2.gz FPBRMEXUAIUDOF-ZWKOTPCHSA-N 1 0 406.465 2.552 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164875349 721137109 /nfs/dbraw/zinc/13/71/09/721137109.db2.gz KXVIUAPSMBCDNY-NHCUHLMSSA-N 1 0 402.502 2.722 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)s1 ZINC001164762663 721146506 /nfs/dbraw/zinc/14/65/06/721146506.db2.gz DDXRAIGMXNHKLW-KBPBESRZSA-N 1 0 403.943 2.740 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880753 721154041 /nfs/dbraw/zinc/15/40/41/721154041.db2.gz XMFXRZDRVKLWTI-WOJBJXKFSA-N 1 0 418.497 2.896 20 0 HFADRO Cc1nc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(Cl)c1C ZINC001164766523 721160436 /nfs/dbraw/zinc/16/04/36/721160436.db2.gz LVUTWZJGUHTVTB-JKSUJKDBSA-N 1 0 410.900 2.984 20 0 HFADRO c1cncc(CO[C@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164875420 721168037 /nfs/dbraw/zinc/16/80/37/721168037.db2.gz LMWKWDNDHGKGAC-SFTDATJTSA-N 1 0 408.550 2.732 20 0 HFADRO CSc1nc2ncnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2s1 ZINC001164765018 721170105 /nfs/dbraw/zinc/17/01/05/721170105.db2.gz HLGFGRDFHACLJZ-UONOGXRCSA-N 1 0 401.565 2.500 20 0 HFADRO CC1CCN(C(=O)c2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2)CC1 ZINC001164766992 721196763 /nfs/dbraw/zinc/19/67/63/721196763.db2.gz JVEMCBCTVWTSQQ-FGZHOGPDSA-N 1 0 422.577 2.646 20 0 HFADRO CC1CCN(C(=O)c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2)CC1 ZINC001164766994 721197603 /nfs/dbraw/zinc/19/76/03/721197603.db2.gz JVEMCBCTVWTSQQ-VXKWHMMOSA-N 1 0 422.577 2.646 20 0 HFADRO Cc1nc(-c2ccccn2)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C ZINC001164774452 721222456 /nfs/dbraw/zinc/22/24/56/721222456.db2.gz ZKIOKTLLPMFHAF-WOJBJXKFSA-N 1 0 403.534 2.847 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)C[C@H]3C2)cn1 ZINC001164766915 721224568 /nfs/dbraw/zinc/22/45/68/721224568.db2.gz JOMPDWPEWUYJMY-WOJBJXKFSA-N 1 0 415.545 2.719 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5[nH]c6cc(F)ccc6c54)C[C@@H]3C2)cn1 ZINC001164761513 721245833 /nfs/dbraw/zinc/24/58/33/721245833.db2.gz JHOYFEMBFDCYFP-CVEARBPZSA-N 1 0 405.481 2.942 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4cnccn4)[C@H]3C2)nc1 ZINC001164769340 721266196 /nfs/dbraw/zinc/26/61/96/721266196.db2.gz XMUMXKINKFCRNG-QHAWAJNXSA-N 1 0 408.550 2.903 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc4c(Cl)cccc43)CC2)C1 ZINC001164869437 721273050 /nfs/dbraw/zinc/27/30/50/721273050.db2.gz OFWVIGZGJGWWJI-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO Cc1c(Cl)cnc(Cl)c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164872960 721282924 /nfs/dbraw/zinc/28/29/24/721282924.db2.gz JVWCUOQPIMSADP-UHFFFAOYSA-N 1 0 415.365 2.704 20 0 HFADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164772604 721285147 /nfs/dbraw/zinc/28/51/47/721285147.db2.gz JSRWTNCLBRGQDM-UHFFFAOYSA-N 1 0 423.542 2.590 20 0 HFADRO Cc1nc(COC[C@H]2Cn3nccc3CN(c3cc(C[NH+](C)C)ccn3)C2)cs1 ZINC001164877532 721332532 /nfs/dbraw/zinc/33/25/32/721332532.db2.gz VJLJJWRKVJNVSK-GOSISDBHSA-N 1 0 412.563 2.958 20 0 HFADRO CC(=O)Nc1cccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780120 721350747 /nfs/dbraw/zinc/35/07/47/721350747.db2.gz ZVITVAODMSZXAD-QFIPXVFZSA-N 1 0 413.522 2.764 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4onc(C)c43)C2)C1 ZINC001164786154 721371000 /nfs/dbraw/zinc/37/10/00/721371000.db2.gz WOZARGJQUZRVPK-OAQYLSRUSA-N 1 0 412.494 2.650 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886784 721373556 /nfs/dbraw/zinc/37/35/56/721373556.db2.gz NXGHNHVKKFEKMS-NFBKMPQASA-N 1 0 408.550 2.995 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893607 721382692 /nfs/dbraw/zinc/38/26/92/721382692.db2.gz WBNGAZPQQHLCAQ-DNVCBOLYSA-N 1 0 412.003 2.617 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccoc54)C3)O2)CC1 ZINC001164894489 721389755 /nfs/dbraw/zinc/38/97/55/721389755.db2.gz YJMUFRRMWJRDDK-QRWLVFNGSA-N 1 0 405.930 2.642 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccnc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164885703 721390775 /nfs/dbraw/zinc/39/07/75/721390775.db2.gz DDJBPDAJFCEOKX-XUZZJYLKSA-N 1 0 407.562 2.909 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4SCC5)C3)O2)CC1 ZINC001164892443 721402347 /nfs/dbraw/zinc/40/23/47/721402347.db2.gz YGRFTWOQRRYNEC-QRWLVFNGSA-N 1 0 424.014 2.544 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5[nH]ccc5cc4Cl)C3)O2)CC1 ZINC001164885802 721420629 /nfs/dbraw/zinc/42/06/29/721420629.db2.gz HMVSCWMSCDJIGV-LAUBAEHRSA-N 1 0 403.958 2.933 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccncc5)cn4)C3)O2)CC1 ZINC001164893669 721431446 /nfs/dbraw/zinc/43/14/46/721431446.db2.gz JWPHVIMOPXHNDS-VWNXMTODSA-N 1 0 407.562 2.909 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)ncn4)C3)O2)CC1 ZINC001164896425 721432151 /nfs/dbraw/zinc/43/21/51/721432151.db2.gz RIHAZNBWEHNYNW-XUZZJYLKSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccco2)n1 ZINC001164895808 721440271 /nfs/dbraw/zinc/44/02/71/721440271.db2.gz PXOMHAVFJQMFIA-AUSIDOKSSA-N 1 0 411.550 2.810 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cccnc31)CC2 ZINC001164789246 721452517 /nfs/dbraw/zinc/45/25/17/721452517.db2.gz UDZIVTBRGGIVKF-LJQANCHMSA-N 1 0 411.550 2.759 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164892802 721453390 /nfs/dbraw/zinc/45/33/90/721453390.db2.gz YHTWZURRMXIGDG-CYFREDJKSA-N 1 0 424.593 2.991 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(SC)nn1)CC2 ZINC001164791712 721467421 /nfs/dbraw/zinc/46/74/21/721467421.db2.gz XVONHWSKGDYNTA-SFHVURJKSA-N 1 0 406.596 2.932 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccnc1OC(C)C)CC2 ZINC001164789927 721469911 /nfs/dbraw/zinc/46/99/11/721469911.db2.gz PENWCVXLCVSZCR-FQEVSTJZSA-N 1 0 418.582 2.998 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164792278 721497070 /nfs/dbraw/zinc/49/70/70/721497070.db2.gz MUOVWALZPWCDDL-UHFFFAOYSA-N 1 0 400.914 2.505 20 0 HFADRO Cc1ccc2c(c1)nc(Cl)nc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794470 721514085 /nfs/dbraw/zinc/51/40/85/721514085.db2.gz QGFPAOZNVPAFCU-UHFFFAOYSA-N 1 0 411.941 2.556 20 0 HFADRO Cc1ccc(C(F)(F)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1Cl ZINC001164799170 721514848 /nfs/dbraw/zinc/51/48/48/721514848.db2.gz XUJGOXRXOIUDJR-UHFFFAOYSA-N 1 0 410.900 2.552 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncccc2OCc2ccccc2)CC3)CC1 ZINC001164797101 721518516 /nfs/dbraw/zinc/51/85/16/721518516.db2.gz GMWZYYOGYFTOLY-UHFFFAOYSA-N 1 0 418.545 2.625 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164794477 721524141 /nfs/dbraw/zinc/52/41/41/721524141.db2.gz DTMYILJUYIAZBM-PCCBWWKXSA-N 1 0 410.518 2.830 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)ccc12 ZINC001164900819 721525303 /nfs/dbraw/zinc/52/53/03/721525303.db2.gz VCRYDFOVENDLLE-RDJZCZTQSA-N 1 0 410.449 2.831 20 0 HFADRO O=C1NCc2c1c(N1CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)nc(Cl)c2F ZINC001164908115 721538695 /nfs/dbraw/zinc/53/86/95/721538695.db2.gz OSICEIWZUPROKW-TZMCWYRMSA-N 1 0 420.847 2.599 20 0 HFADRO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(C)c1 ZINC001164802307 721542331 /nfs/dbraw/zinc/54/23/31/721542331.db2.gz FXPMOUGELAETRE-PCCBWWKXSA-N 1 0 410.518 2.830 20 0 HFADRO CNC(=O)c1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164903430 721542397 /nfs/dbraw/zinc/54/23/97/721542397.db2.gz CLTCZQUAEIVYRA-ZBFHGGJFSA-N 1 0 404.873 2.576 20 0 HFADRO CCOC(=O)c1cnc(CC)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903480 721562437 /nfs/dbraw/zinc/56/24/37/721562437.db2.gz BJKRRHCBEDRTDP-FUHWJXTLSA-N 1 0 414.481 2.697 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164803939 721576244 /nfs/dbraw/zinc/57/62/44/721576244.db2.gz JWNYKBQEFPXFHD-MZKRTTBSSA-N 1 0 408.550 2.730 20 0 HFADRO COc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905992 721695904 /nfs/dbraw/zinc/69/59/04/721695904.db2.gz KUGXCNUGVRWJDS-QGZVFWFLSA-N 1 0 410.856 2.666 20 0 HFADRO COC(=O)Cc1cccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905994 721701452 /nfs/dbraw/zinc/70/14/52/721701452.db2.gz KUQGUUPICAAQLU-OAQYLSRUSA-N 1 0 416.472 2.930 20 0 HFADRO FC1(F)CCN(c2cncc(-n3ccnc3)n2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906263 721716169 /nfs/dbraw/zinc/71/61/69/721716169.db2.gz LWTDXGWHHKJRJB-HXUWFJFHSA-N 1 0 411.460 2.795 20 0 HFADRO NC(=O)c1ccnc(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913087 721734698 /nfs/dbraw/zinc/73/46/98/721734698.db2.gz SJPFXDZOWFCKNR-LJQANCHMSA-N 1 0 421.879 2.967 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(OCc3ccccc3)cn2)CC1 ZINC001165011344 721742107 /nfs/dbraw/zinc/74/21/07/721742107.db2.gz VNSLIZXMOPIUPJ-UHFFFAOYSA-N 1 0 409.534 2.579 20 0 HFADRO COc1ccccc1-c1ccnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165011037 721746077 /nfs/dbraw/zinc/74/60/77/721746077.db2.gz SQCYLALFTSWWDX-UHFFFAOYSA-N 1 0 409.534 2.675 20 0 HFADRO Cc1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1C1C[NH2+]C1 ZINC001164911476 721766356 /nfs/dbraw/zinc/76/63/56/721766356.db2.gz PDIDGHRDJVCSCI-UHFFFAOYSA-N 1 0 404.518 2.655 20 0 HFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026363 721803835 /nfs/dbraw/zinc/80/38/35/721803835.db2.gz QYXKCQAIYIRMOS-ZAAXVRCTSA-N 1 0 420.517 2.828 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(C)(=O)=O)C[C@@H]21 ZINC001165021297 721807250 /nfs/dbraw/zinc/80/72/50/721807250.db2.gz GCSLBNSXEYPKFC-YTQUADARSA-N 1 0 400.548 2.617 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(C)(=O)=O)C[C@H]21 ZINC001165021291 721807428 /nfs/dbraw/zinc/80/74/28/721807428.db2.gz GCSLBNSXEYPKFC-BHIYHBOVSA-N 1 0 400.548 2.617 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@H]21 ZINC001165022356 721821323 /nfs/dbraw/zinc/82/13/23/721821323.db2.gz GXZLRHQFCHOMEP-NSISKUIASA-N 1 0 400.548 2.617 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)C[C@H]21 ZINC001165023934 721821570 /nfs/dbraw/zinc/82/15/70/721821570.db2.gz IVGSLLCXTYYOKJ-CGTJXYLNSA-N 1 0 406.534 2.838 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CC4)nn3)C[C@H]21 ZINC001165030196 721827232 /nfs/dbraw/zinc/82/72/32/721827232.db2.gz YTQALYIZMJZERE-LDQXTDLNSA-N 1 0 406.534 2.501 20 0 HFADRO CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024733 721831409 /nfs/dbraw/zinc/83/14/09/721831409.db2.gz LAFHSVFAIXSSCM-YXJHDRRASA-N 1 0 414.941 2.622 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(=O)N(C)C)cn2)CC1 ZINC001165023447 721840170 /nfs/dbraw/zinc/84/01/70/721840170.db2.gz XWLBLOMISFJIAX-UHFFFAOYSA-N 1 0 412.534 2.901 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc(NC(=O)OC(C)(C)C)c2nc[nH]c21 ZINC001164926010 721876531 /nfs/dbraw/zinc/87/65/31/721876531.db2.gz PUQFOLFHQUHXJN-JKSUJKDBSA-N 1 0 415.542 2.520 20 0 HFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932337 721878177 /nfs/dbraw/zinc/87/81/77/721878177.db2.gz IUUCDCCRLMGJPZ-JKSUJKDBSA-N 1 0 417.579 2.699 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc(C(=O)N2CCCCC2)cc1Cl ZINC001164935512 721881493 /nfs/dbraw/zinc/88/14/93/721881493.db2.gz XEBUJIBZTIRMAM-RTBURBONSA-N 1 0 405.974 2.576 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164936350 721888001 /nfs/dbraw/zinc/88/80/01/721888001.db2.gz ZPSBKFLRULFQQI-RTBURBONSA-N 1 0 401.942 2.924 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001164940354 721919856 /nfs/dbraw/zinc/91/98/56/721919856.db2.gz ZMRXVCOMEDRFLY-DYESRHJHSA-N 1 0 407.942 2.843 20 0 HFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044331 721958482 /nfs/dbraw/zinc/95/84/82/721958482.db2.gz IAARLCJRTZPPGS-FPLPWBNLSA-N 1 0 406.486 2.950 20 0 HFADRO COC(=O)c1cc(C)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164959742 722052202 /nfs/dbraw/zinc/05/22/02/722052202.db2.gz NNXWKKDFIJIHHI-UHFFFAOYSA-N 1 0 410.518 2.691 20 0 HFADRO Clc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963227 722054326 /nfs/dbraw/zinc/05/43/26/722054326.db2.gz JCSFQEHRJCBOOZ-UHFFFAOYSA-N 1 0 409.321 2.692 20 0 HFADRO COc1cnnc(Cl)c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962929 722055947 /nfs/dbraw/zinc/05/59/47/722055947.db2.gz FXUMHEVEWDPTGO-UHFFFAOYSA-N 1 0 403.914 2.653 20 0 HFADRO COc1ncc(Cl)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164962602 722061452 /nfs/dbraw/zinc/06/14/52/722061452.db2.gz UTGKHOANRMROOA-UHFFFAOYSA-N 1 0 403.914 2.653 20 0 HFADRO CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1C ZINC001164966959 722075516 /nfs/dbraw/zinc/07/55/16/722075516.db2.gz HQFDYTZISITNRU-IYBDPMFKSA-N 1 0 416.547 2.784 20 0 HFADRO COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164984275 722099572 /nfs/dbraw/zinc/09/95/72/722099572.db2.gz RWJZJMXMSHLTOF-LPHOPBHVSA-N 1 0 416.909 2.644 20 0 HFADRO CCOC(=O)/C=C\c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980800 722102266 /nfs/dbraw/zinc/10/22/66/722102266.db2.gz KKUOAIRNOXGEPC-BOECQMNCSA-N 1 0 422.529 2.780 20 0 HFADRO FC(F)(c1cnc(Cl)cn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976328 722102938 /nfs/dbraw/zinc/10/29/38/722102938.db2.gz CPKRZQWLSNUEGJ-JKSUJKDBSA-N 1 0 409.868 2.797 20 0 HFADRO COc1cccc2c1ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985182 722106288 /nfs/dbraw/zinc/10/62/88/722106288.db2.gz VGQFSGKPAWTERB-NQIIRXRSSA-N 1 0 405.502 2.761 20 0 HFADRO CCOC(=O)c1c(C)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C ZINC001164971461 722125641 /nfs/dbraw/zinc/12/56/41/722125641.db2.gz COLHISKXBJMJKG-LEWJYISDSA-N 1 0 424.545 2.997 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cncc(N5CCCCC5)n4)CC[C@H]3C2)c1 ZINC001164980923 722131405 /nfs/dbraw/zinc/13/14/05/722131405.db2.gz NTRHIARKFIAGTM-LEWJYISDSA-N 1 0 408.550 2.589 20 0 HFADRO COC(=O)/C=C/c1cc(C)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979653 722133817 /nfs/dbraw/zinc/13/38/17/722133817.db2.gz LRGBNHCYEVLNSO-QDWIBDRMSA-N 1 0 422.529 2.699 20 0 HFADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164983352 722138435 /nfs/dbraw/zinc/13/84/35/722138435.db2.gz UOUKDXIJGLQOKM-FGZHOGPDSA-N 1 0 416.529 2.969 20 0 HFADRO C[C@@H]1CCCN(c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)C1 ZINC001164985417 722149465 /nfs/dbraw/zinc/14/94/65/722149465.db2.gz ZJOGRMGSFGLOTA-FCEUIQTBSA-N 1 0 422.577 2.835 20 0 HFADRO c1cc2c(nc(C3CC3)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164973059 722153732 /nfs/dbraw/zinc/15/37/32/722153732.db2.gz KNYRYKHKZFGPDU-UYAOXDASSA-N 1 0 404.518 2.958 20 0 HFADRO CNC(=O)c1cc(Cl)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164997456 722213167 /nfs/dbraw/zinc/21/31/67/722213167.db2.gz QLHZOPDKEJKUHF-HXUWFJFHSA-N 1 0 403.889 2.874 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Oc1ccc(Cl)nc1)CCC2 ZINC001165000888 722252172 /nfs/dbraw/zinc/25/21/72/722252172.db2.gz WBENBELBNHKVIS-UHFFFAOYSA-N 1 0 415.872 2.845 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)cc1N)CCC2 ZINC001165001764 722253639 /nfs/dbraw/zinc/25/36/39/722253639.db2.gz FTMYSEJAHLAASM-UHFFFAOYSA-N 1 0 414.888 2.547 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc(F)cc3)nn1)CCC2 ZINC001165003713 722256655 /nfs/dbraw/zinc/25/66/55/722256655.db2.gz GOJGLRCLHGUYMV-UHFFFAOYSA-N 1 0 410.497 2.968 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004152 722256802 /nfs/dbraw/zinc/25/68/02/722256802.db2.gz OAEWWDLYUHBPFM-UHFFFAOYSA-N 1 0 423.517 2.706 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3[nH]c4cc(F)ccc4c31)CCC2 ZINC001165003785 722258133 /nfs/dbraw/zinc/25/81/33/722258133.db2.gz HSYHZXLFTXWRCZ-UHFFFAOYSA-N 1 0 423.496 2.935 20 0 HFADRO O=C(NCCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)c1cccc(O)c1 ZINC000790469183 1078045300 /nfs/dbraw/zinc/04/53/00/1078045300.db2.gz QENLQPDTBWMZRP-UHFFFAOYSA-N 1 0 411.502 2.903 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000790541162 1078047468 /nfs/dbraw/zinc/04/74/68/1078047468.db2.gz ZWOVODXLFVSBKR-DOTOQJQBSA-N 1 0 411.930 2.564 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1Br ZINC000793012525 1078048379 /nfs/dbraw/zinc/04/83/79/1078048379.db2.gz YLAWLCMFEJNEBT-HIFRSBDPSA-N 1 0 421.339 2.566 20 0 HFADRO CON(C)S(=O)(=O)c1cc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)ccc1Cl ZINC000790515131 1078048692 /nfs/dbraw/zinc/04/86/92/1078048692.db2.gz ZTTCMCYNWKLUMW-UHFFFAOYSA-N 1 0 419.850 2.887 20 0 HFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1cnn(Cc2ccccc2)c1Cl ZINC000790533379 1078052851 /nfs/dbraw/zinc/05/28/51/1078052851.db2.gz NHNWMALNJZJVJO-LJQANCHMSA-N 1 0 403.958 2.617 20 0 HFADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)o1 ZINC000793042696 1078054391 /nfs/dbraw/zinc/05/43/91/1078054391.db2.gz RCMAADYVYPFSBM-UHFFFAOYSA-N 1 0 423.311 2.583 20 0 HFADRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@H]1C ZINC000793026091 1078059045 /nfs/dbraw/zinc/05/90/45/1078059045.db2.gz FRVZLBVYZSXHLU-HEHGZKQESA-N 1 0 423.453 2.926 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)C1=O ZINC000790607728 1078074042 /nfs/dbraw/zinc/07/40/42/1078074042.db2.gz JVAZIYUNGJGAHO-QHCPKHFHSA-N 1 0 416.485 2.782 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 ZINC000790611678 1078075610 /nfs/dbraw/zinc/07/56/10/1078075610.db2.gz ACVASJPHXZHYBY-GOSISDBHSA-N 1 0 421.586 2.655 20 0 HFADRO [NH3+]C[C@]1(F)CCCN(C(=O)c2cnc(Cl)c(I)c2)CC1 ZINC001157755879 1078085747 /nfs/dbraw/zinc/08/57/47/1078085747.db2.gz XLXYQOSVLQLOQI-ZDUSSCGKSA-N 1 0 411.646 2.633 20 0 HFADRO COCC1(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793167649 1078089785 /nfs/dbraw/zinc/08/97/85/1078089785.db2.gz HALBZZKMIIFZBK-QZTJIDSGSA-N 1 0 411.587 2.887 20 0 HFADRO COC(=O)[C@H](COCc1ccccc1)Nc1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1 ZINC001170142338 1078093000 /nfs/dbraw/zinc/09/30/00/1078093000.db2.gz ONAVODDWHXHYJZ-WMTXJRDZSA-N 1 0 410.514 2.877 20 0 HFADRO CC(C)(CNC(=O)N1CCc2c(cccc2N2CCOC2=O)C1)C[NH+]1CCCC1 ZINC000790709551 1078103394 /nfs/dbraw/zinc/10/33/94/1078103394.db2.gz QZROFIIPFMLHNC-UHFFFAOYSA-N 1 0 400.523 2.833 20 0 HFADRO COCC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790710752 1078103685 /nfs/dbraw/zinc/10/36/85/1078103685.db2.gz XVCKEVUSHGAJLV-QZTJIDSGSA-N 1 0 424.586 2.576 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1(Cc2ccccn2)CCS(=O)(=O)CC1 ZINC001170428376 1078104913 /nfs/dbraw/zinc/10/49/13/1078104913.db2.gz HIKQVEJJWPOBAN-SFHVURJKSA-N 1 0 416.543 2.911 20 0 HFADRO CC[C@H](C)CC[C@@H](O)CC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000793242741 1078108818 /nfs/dbraw/zinc/10/88/18/1078108818.db2.gz ZHVDLWPNGOJUKX-GHTZIAJQSA-N 1 0 409.615 2.745 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768558 1078114361 /nfs/dbraw/zinc/11/43/61/1078114361.db2.gz VJVQFLURCSUTEN-KCJUWKMLSA-N 1 0 403.118 2.819 20 0 HFADRO COC1(C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCC(C)CC1 ZINC000793290277 1078119498 /nfs/dbraw/zinc/11/94/98/1078119498.db2.gz DNQCNFSDASTHJL-NSWWBONSSA-N 1 0 403.976 2.889 20 0 HFADRO COCCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793293469 1078120425 /nfs/dbraw/zinc/12/04/25/1078120425.db2.gz JLXFGLWIIKQFRY-JOCHJYFZSA-N 1 0 419.529 2.923 20 0 HFADRO O=C(NC[C@@H]1CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1)OCc1ccccc1 ZINC000793298147 1078121981 /nfs/dbraw/zinc/12/19/81/1078121981.db2.gz KOUMXKDFLZKJQZ-IBGZPJMESA-N 1 0 421.497 2.921 20 0 HFADRO C[NH+](C)CCCNC(=S)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000793308444 1078124298 /nfs/dbraw/zinc/12/42/98/1078124298.db2.gz RXAXINVNUPJGGP-WIYYLYMNSA-N 1 0 417.550 2.993 20 0 HFADRO CC[NH+]1CCC(N(C)C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793352328 1078156981 /nfs/dbraw/zinc/15/69/81/1078156981.db2.gz LKWRWZJEZLAIOP-PMACEKPBSA-N 1 0 410.518 2.521 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000793352403 1078156998 /nfs/dbraw/zinc/15/69/98/1078156998.db2.gz MZJJALRKIZYYQA-QHCPKHFHSA-N 1 0 417.550 2.652 20 0 HFADRO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H](C)C[NH+](CC)CC)c1 ZINC000790880833 1078169451 /nfs/dbraw/zinc/16/94/51/1078169451.db2.gz RNONACHQHLJUCK-LBPRGKRZSA-N 1 0 421.357 2.634 20 0 HFADRO COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)CC2)c1 ZINC000793437847 1078171894 /nfs/dbraw/zinc/17/18/94/1078171894.db2.gz XQGIIVUQTCLQHU-IRXDYDNUSA-N 1 0 418.538 2.774 20 0 HFADRO CN(CCC(=O)NCC1([NH+]2CCCCC2)CCOCC1)C(=O)OCc1ccccc1 ZINC000793476689 1078187197 /nfs/dbraw/zinc/18/71/97/1078187197.db2.gz FKAXEJPXDGNDNA-UHFFFAOYSA-N 1 0 417.550 2.796 20 0 HFADRO CN(C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793483955 1078189279 /nfs/dbraw/zinc/18/92/79/1078189279.db2.gz PREHLFRLURYRDJ-UHFFFAOYSA-N 1 0 417.550 2.582 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)C3(NC(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC000793486980 1078190453 /nfs/dbraw/zinc/19/04/53/1078190453.db2.gz COHSWJUMGMORFA-UHFFFAOYSA-N 1 0 403.523 2.833 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)cc2)CC1 ZINC000793487823 1078190948 /nfs/dbraw/zinc/19/09/48/1078190948.db2.gz IBSPNUVLXZUYBZ-DEOSSOPVSA-N 1 0 408.498 2.948 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000793511892 1078195355 /nfs/dbraw/zinc/19/53/55/1078195355.db2.gz HAIHLCHRERMEBT-GOSISDBHSA-N 1 0 402.539 2.808 20 0 HFADRO CCOC(=O)[C@@]1(COC)CCCN(CN2CC[C@@H](CCc3ccccc3)C2=O)C1 ZINC000793515497 1078197059 /nfs/dbraw/zinc/19/70/59/1078197059.db2.gz KAYSFHTZOZSIQR-OFNKIYASSA-N 1 0 402.535 2.717 20 0 HFADRO COc1ccc(Cl)cc1CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000793557796 1078209948 /nfs/dbraw/zinc/20/99/48/1078209948.db2.gz AJIJRQHQLXRBPS-UHFFFAOYSA-N 1 0 403.910 2.685 20 0 HFADRO COCC1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793564002 1078211160 /nfs/dbraw/zinc/21/11/60/1078211160.db2.gz CCQQRDYSJNTNFI-LJQANCHMSA-N 1 0 423.598 2.985 20 0 HFADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793584536 1078215234 /nfs/dbraw/zinc/21/52/34/1078215234.db2.gz OFQCQOGLBMMHOB-WMZOPIPTSA-N 1 0 404.942 2.948 20 0 HFADRO COC(=O)c1ccc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c(Br)c1 ZINC000793587787 1078215945 /nfs/dbraw/zinc/21/59/45/1078215945.db2.gz UJTCLNGMSSPIJE-WMZOPIPTSA-N 1 0 408.292 2.810 20 0 HFADRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000793608821 1078219011 /nfs/dbraw/zinc/21/90/11/1078219011.db2.gz YBNKPNRBKBVHPX-QFIPXVFZSA-N 1 0 416.522 2.916 20 0 HFADRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170435479 1078225332 /nfs/dbraw/zinc/22/53/32/1078225332.db2.gz PQQIUBVPFCVOJG-IBGZPJMESA-N 1 0 418.582 2.785 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000793654208 1078226676 /nfs/dbraw/zinc/22/66/76/1078226676.db2.gz SSNKNECWDYPSAN-QKYXUNIQSA-N 1 0 415.559 2.617 20 0 HFADRO COC(=O)[C@]1(NC(=O)C[C@H]2CCC[C@@H](OC)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000793638072 1078237152 /nfs/dbraw/zinc/23/71/52/1078237152.db2.gz VSBZPUGOPYWHQS-MZKRTTBSSA-N 1 0 402.535 2.906 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793684114 1078254731 /nfs/dbraw/zinc/25/47/31/1078254731.db2.gz SOQOSFGMGLDMKT-TZIWHRDSSA-N 1 0 409.530 2.599 20 0 HFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N[C@H](C)COc2ccccc2)CC1 ZINC000793684967 1078255398 /nfs/dbraw/zinc/25/53/98/1078255398.db2.gz FRHVTJUZRBBWHI-HXUWFJFHSA-N 1 0 409.530 2.613 20 0 HFADRO C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000793689193 1078257183 /nfs/dbraw/zinc/25/71/83/1078257183.db2.gz KTJIVFRXGNRLBC-BEFAXECRSA-N 1 0 403.523 2.823 20 0 HFADRO Cc1ccccc1CN(Cc1cccnc1)C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793714591 1078262634 /nfs/dbraw/zinc/26/26/34/1078262634.db2.gz PYKPIKOVZSWEIL-HXUWFJFHSA-N 1 0 408.546 2.909 20 0 HFADRO CC[NH+](CC)CCN(C(=O)c1cc(C2CC2)cnc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000793726544 1078268514 /nfs/dbraw/zinc/26/85/14/1078268514.db2.gz BLWLJVQLBIZVGF-MRXNPFEDSA-N 1 0 413.971 2.584 20 0 HFADRO CCCN(C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000793726461 1078267334 /nfs/dbraw/zinc/26/73/34/1078267334.db2.gz RZNCGPWCUDVVRJ-RTBURBONSA-N 1 0 416.566 2.633 20 0 HFADRO COc1ccc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c(OC2CCCC2)c1 ZINC000793725933 1078267563 /nfs/dbraw/zinc/26/75/63/1078267563.db2.gz RDCIPBYFLXDBPT-KRWDZBQOSA-N 1 0 417.550 2.623 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001170436555 1078267884 /nfs/dbraw/zinc/26/78/84/1078267884.db2.gz IYYMJMFFHOSEDS-VQTJNVASSA-N 1 0 412.530 2.863 20 0 HFADRO COC(=O)[C@H]1CC(=O)N(CN2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000793726633 1078268142 /nfs/dbraw/zinc/26/81/42/1078268142.db2.gz YFPRVGXKRIKAIW-FCHUYYIVSA-N 1 0 415.578 2.631 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000793692998 1078269842 /nfs/dbraw/zinc/26/98/42/1078269842.db2.gz IRSGPMDZEPVOKX-PMACEKPBSA-N 1 0 401.551 2.685 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000793694321 1078270426 /nfs/dbraw/zinc/27/04/26/1078270426.db2.gz HEWMAUINDJISHD-QZTJIDSGSA-N 1 0 415.559 2.660 20 0 HFADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NC[C@@H](C)[NH+]3CCCCC3)cc2)cs1 ZINC000793695271 1078270884 /nfs/dbraw/zinc/27/08/84/1078270884.db2.gz CBYXRHDHQYLHOO-OAHLLOKOSA-N 1 0 400.548 2.725 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1)[NH+]1CCCCC1 ZINC000793697062 1078271824 /nfs/dbraw/zinc/27/18/24/1078271824.db2.gz GLJMMZKJOXMGGC-HZPDHXFCSA-N 1 0 405.514 2.782 20 0 HFADRO Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)n1 ZINC000793698459 1078272087 /nfs/dbraw/zinc/27/20/87/1078272087.db2.gz JPWZJVFRNNMNTJ-FQEVSTJZSA-N 1 0 423.561 2.613 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793696896 1078272100 /nfs/dbraw/zinc/27/21/00/1078272100.db2.gz KQFFHCRYHSGTNF-TZIWHRDSSA-N 1 0 409.530 2.551 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793696893 1078272186 /nfs/dbraw/zinc/27/21/86/1078272186.db2.gz KQFFHCRYHSGTNF-CTNGQTDRSA-N 1 0 409.530 2.551 20 0 HFADRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CC[C@@H](CS(C)(=O)=O)C2)c1=S ZINC000793697649 1078272744 /nfs/dbraw/zinc/27/27/44/1078272744.db2.gz LSABKOFEOYLQSM-CVEARBPZSA-N 1 0 417.645 2.551 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001170436401 1078276662 /nfs/dbraw/zinc/27/66/62/1078276662.db2.gz IJGBUQWEOYVBDM-IUKKYPGJSA-N 1 0 418.534 2.898 20 0 HFADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)NCC1CCCCCCC1 ZINC000793754356 1078277871 /nfs/dbraw/zinc/27/78/71/1078277871.db2.gz MCIJVAJPYJNASY-JOCHJYFZSA-N 1 0 415.578 2.870 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCCO2)C1 ZINC001170436729 1078281112 /nfs/dbraw/zinc/28/11/12/1078281112.db2.gz KJJSBFYOPJNTIF-MDPIYQRISA-N 1 0 416.518 2.627 20 0 HFADRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000793768310 1078283235 /nfs/dbraw/zinc/28/32/35/1078283235.db2.gz LHEPLAPARKGITB-QVKFZJNVSA-N 1 0 422.932 2.864 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000747148971 1078293862 /nfs/dbraw/zinc/29/38/62/1078293862.db2.gz DNFQZHZLTCAJCB-QHAWAJNXSA-N 1 0 415.578 2.814 20 0 HFADRO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793787725 1078296552 /nfs/dbraw/zinc/29/65/52/1078296552.db2.gz WFXVTBHNTXGHHC-QGZVFWFLSA-N 1 0 419.541 2.870 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000793807766 1078306199 /nfs/dbraw/zinc/30/61/99/1078306199.db2.gz SRJLZEUHWPODKU-INIZCTEOSA-N 1 0 405.502 2.674 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000793796099 1078300440 /nfs/dbraw/zinc/30/04/40/1078300440.db2.gz WTAJUGKWBHVSRA-RBUKOAKNSA-N 1 0 424.545 2.615 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793796165 1078300495 /nfs/dbraw/zinc/30/04/95/1078300495.db2.gz XHJVTZUETQELLQ-TZIWHRDSSA-N 1 0 409.530 2.517 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793796159 1078300573 /nfs/dbraw/zinc/30/05/73/1078300573.db2.gz XHJVTZUETQELLQ-CTNGQTDRSA-N 1 0 409.530 2.517 20 0 HFADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793797013 1078300758 /nfs/dbraw/zinc/30/07/58/1078300758.db2.gz XXMLUWAVQYMUFZ-GOSISDBHSA-N 1 0 416.610 2.916 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000793779489 1078309351 /nfs/dbraw/zinc/30/93/51/1078309351.db2.gz AZLDNAAPUKLFBH-RTWAWAEBSA-N 1 0 415.578 2.849 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793838611 1078310834 /nfs/dbraw/zinc/31/08/34/1078310834.db2.gz APUVYTGDTZXFSF-NRFANRHFSA-N 1 0 408.546 2.501 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000793839419 1078311064 /nfs/dbraw/zinc/31/10/64/1078311064.db2.gz DQCWMKOMRBFXIC-CTNGQTDRSA-N 1 0 410.518 2.675 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1)c1ccco1 ZINC000793843345 1078312358 /nfs/dbraw/zinc/31/23/58/1078312358.db2.gz JZVAOXQDUDJPAG-ROUUACIJSA-N 1 0 403.910 2.716 20 0 HFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCc2c(F)cccc2C1 ZINC000793844142 1078312520 /nfs/dbraw/zinc/31/25/20/1078312520.db2.gz WJBQMHJALBHTIN-LJQANCHMSA-N 1 0 409.505 2.739 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)([NH+](C)C)C1 ZINC000793813949 1078315611 /nfs/dbraw/zinc/31/56/11/1078315611.db2.gz QMGPVCUFKLVDRI-JLGINSKQSA-N 1 0 415.578 2.585 20 0 HFADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000793815892 1078315999 /nfs/dbraw/zinc/31/59/99/1078315999.db2.gz VEJYCHLVZGYKQQ-QGZVFWFLSA-N 1 0 411.468 2.869 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCN(c3ccc(C)cc3)CC2)c1 ZINC000793871112 1078329164 /nfs/dbraw/zinc/32/91/64/1078329164.db2.gz STEJCGDBFBAOBV-UHFFFAOYSA-N 1 0 422.573 2.802 20 0 HFADRO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000772838704 1078329568 /nfs/dbraw/zinc/32/95/68/1078329568.db2.gz UVSOYYICQDQJAX-NRSPTQNISA-N 1 0 402.922 2.763 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C)s2)CC1 ZINC000793868549 1078328181 /nfs/dbraw/zinc/32/81/81/1078328181.db2.gz SLNBXJGQSWNSMU-QGZVFWFLSA-N 1 0 409.596 2.831 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[N@@H+]1C ZINC000793868894 1078328655 /nfs/dbraw/zinc/32/86/55/1078328655.db2.gz GFICKWUFWPENJS-XLIONFOSSA-N 1 0 414.594 2.668 20 0 HFADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793877499 1078332471 /nfs/dbraw/zinc/33/24/71/1078332471.db2.gz WMTWFSSFDDUQIF-UHFFFAOYSA-N 1 0 414.594 2.623 20 0 HFADRO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NCC[N@@H+]3CCCOCC3)ccc21 ZINC000793906107 1078334127 /nfs/dbraw/zinc/33/41/27/1078334127.db2.gz YDZNKCCWNSOXSD-UHFFFAOYSA-N 1 0 403.523 2.826 20 0 HFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000793908451 1078334473 /nfs/dbraw/zinc/33/44/73/1078334473.db2.gz IECLCTWABQQLHO-RXVVDRJESA-N 1 0 415.578 2.585 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CCC2 ZINC000793910379 1078335514 /nfs/dbraw/zinc/33/55/14/1078335514.db2.gz JRGJJQAPHXAYKP-AEFFLSMTSA-N 1 0 403.571 2.584 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000793930205 1078340901 /nfs/dbraw/zinc/34/09/01/1078340901.db2.gz JQHLGZKFRANIFO-NQIIRXRSSA-N 1 0 408.546 2.711 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001170441066 1078345638 /nfs/dbraw/zinc/34/56/38/1078345638.db2.gz FXBAQQNKUTZRBO-NCYKPQTJSA-N 1 0 414.546 2.847 20 0 HFADRO CN(C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000793952604 1078345684 /nfs/dbraw/zinc/34/56/84/1078345684.db2.gz SQZZUMDBFGKBRS-HLAWJBBLSA-N 1 0 420.642 2.582 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000793945651 1078353872 /nfs/dbraw/zinc/35/38/72/1078353872.db2.gz IHMORDQHOVLWAO-WIYYLYMNSA-N 1 0 420.642 2.630 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001170440953 1078355214 /nfs/dbraw/zinc/35/52/14/1078355214.db2.gz FXEJIHWKGXJDKI-GOSISDBHSA-N 1 0 420.517 2.923 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000793948040 1078355648 /nfs/dbraw/zinc/35/56/48/1078355648.db2.gz JIZWUCFFHBSIQM-HSALFYBXSA-N 1 0 407.599 2.526 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001170441470 1078360954 /nfs/dbraw/zinc/36/09/54/1078360954.db2.gz IFFURQAFOFASRG-LJQANCHMSA-N 1 0 400.519 2.840 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001170442246 1078366221 /nfs/dbraw/zinc/36/62/21/1078366221.db2.gz KVJXJZCGLZYOLW-UKAVVXHISA-N 1 0 414.546 2.990 20 0 HFADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccc(F)c(N4CCOC4=O)c3)c2)CC1 ZINC000794103863 1078372517 /nfs/dbraw/zinc/37/25/17/1078372517.db2.gz UEJVUGWAFOQYQC-UHFFFAOYSA-N 1 0 412.465 2.782 20 0 HFADRO O=C(c1ccc(C[NH+]2CCC(CO)CC2)cc1)N(CCO)Cc1cccnc1Cl ZINC000794321677 1078413404 /nfs/dbraw/zinc/41/34/04/1078413404.db2.gz OYCZSLNDHHPEOE-UHFFFAOYSA-N 1 0 417.937 2.574 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000794366629 1078427349 /nfs/dbraw/zinc/42/73/49/1078427349.db2.gz SCEOISDBOSUWFI-OAHLLOKOSA-N 1 0 417.348 2.558 20 0 HFADRO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000794412028 1078429715 /nfs/dbraw/zinc/42/97/15/1078429715.db2.gz FEVHZEJMJLMOPF-BWTSREIZSA-N 1 0 400.523 2.527 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000794387193 1078433451 /nfs/dbraw/zinc/43/34/51/1078433451.db2.gz WOLQMHQQSKWWGL-ROUUACIJSA-N 1 0 408.926 2.589 20 0 HFADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C2=O ZINC001129395945 1078438057 /nfs/dbraw/zinc/43/80/57/1078438057.db2.gz WTGIHPGWKIMNTM-WZONZLPQSA-N 1 0 418.582 2.744 20 0 HFADRO CSC1(CNC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001129413952 1078446277 /nfs/dbraw/zinc/44/62/77/1078446277.db2.gz YGRSDORLOWWIOL-GJZGRUSLSA-N 1 0 403.564 2.525 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Br)cnc3Br)C2)C1 ZINC001129404994 1078455413 /nfs/dbraw/zinc/45/54/13/1078455413.db2.gz QQQDGEWEIZJCDP-AWEZNQCLSA-N 1 0 403.118 2.774 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(C[C@H]1CCC[NH2+]1)S(=O)(=O)C(F)(F)F ZINC001170448743 1078460003 /nfs/dbraw/zinc/46/00/03/1078460003.db2.gz BJBVQQCAAIGOFK-KGLIPLIRSA-N 1 0 408.442 2.640 20 0 HFADRO CCC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(S(N)(=O)=O)c1 ZINC000804398807 1078463007 /nfs/dbraw/zinc/46/30/07/1078463007.db2.gz TXGCRHVNGBILDT-KRWDZBQOSA-N 1 0 407.580 2.875 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000804656974 1078491243 /nfs/dbraw/zinc/49/12/43/1078491243.db2.gz LBKFDXBVGUEOBT-QHSLDKKCSA-N 1 0 403.523 2.720 20 0 HFADRO Cc1nn(C)cc1C1=NO[C@H](C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486375 1078506347 /nfs/dbraw/zinc/50/63/47/1078506347.db2.gz IWDNSTCATXEVMZ-UGKGYDQZSA-N 1 0 409.534 2.640 20 0 HFADRO CC(C)(C[NH+]1CCCC1)NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001129808996 1078507447 /nfs/dbraw/zinc/50/74/47/1078507447.db2.gz FNJIWUAABXEWSQ-UHFFFAOYSA-N 1 0 401.551 2.685 20 0 HFADRO CN1CC(=O)Nc2cc(C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cnc21 ZINC001129486842 1078507467 /nfs/dbraw/zinc/50/74/67/1078507467.db2.gz PRSOTCXNYWOHPR-GOSISDBHSA-N 1 0 407.518 2.502 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cn(Cc2ccccc2)nn1 ZINC001129814014 1078511865 /nfs/dbraw/zinc/51/18/65/1078511865.db2.gz XICPEQWLMAPCEQ-FYYLOGMGSA-N 1 0 419.529 2.593 20 0 HFADRO O=C([C@H](O)c1ccccc1Cl)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447364 1078513833 /nfs/dbraw/zinc/51/38/33/1078513833.db2.gz CZKLVWSCESVXQV-DENIHFKCSA-N 1 0 413.949 2.792 20 0 HFADRO CCC1([NH2+]CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCCC1 ZINC001170452166 1078519322 /nfs/dbraw/zinc/51/93/22/1078519322.db2.gz RRYQCBXDQJELDC-VBKFSLOCSA-N 1 0 402.520 2.547 20 0 HFADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC001170452419 1078520209 /nfs/dbraw/zinc/52/02/09/1078520209.db2.gz XRZAVKNYNHJRBN-NRFANRHFSA-N 1 0 411.550 2.614 20 0 HFADRO C[NH+]1CCC(CNC(=O)[C@H](Oc2ccccc2)c2ccccc2)(N2CCOCC2)CC1 ZINC001129846629 1078530330 /nfs/dbraw/zinc/53/03/30/1078530330.db2.gz BZDVXLNYHDCNMR-HSZRJFAPSA-N 1 0 423.557 2.720 20 0 HFADRO C[C@@H]1NC(C(=O)Nc2ccccc2C[NH+]2CCSCC2)=NN(c2ccccc2)C1=O ZINC000747192322 1078544891 /nfs/dbraw/zinc/54/48/91/1078544891.db2.gz ZXVAMEOHXKCGCV-INIZCTEOSA-N 1 0 423.542 2.512 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000804524019 1078563373 /nfs/dbraw/zinc/56/33/73/1078563373.db2.gz HJRCYPAADCRIRB-IXDOHACOSA-N 1 0 417.554 2.833 20 0 HFADRO Cc1csc([C@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000804500805 1078555158 /nfs/dbraw/zinc/55/51/58/1078555158.db2.gz QGQXTGKSHCPMPX-KKSFZXQISA-N 1 0 400.548 2.657 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C1 ZINC001170455340 1078556903 /nfs/dbraw/zinc/55/69/03/1078556903.db2.gz HXSXEIMAFYULLI-ZHRRBRCNSA-N 1 0 420.506 2.879 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000804523398 1078563002 /nfs/dbraw/zinc/56/30/02/1078563002.db2.gz RPVJANGRAKTUCN-APWZRJJASA-N 1 0 418.497 2.790 20 0 HFADRO COc1cccc2c1CC[C@@H]2NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000804529202 1078566802 /nfs/dbraw/zinc/56/68/02/1078566802.db2.gz SKYMBMUHWDKBNX-SQJMNOBHSA-N 1 0 421.541 2.827 20 0 HFADRO Cn1cc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C2CCCC2)n1 ZINC001129870858 1078567925 /nfs/dbraw/zinc/56/79/25/1078567925.db2.gz BBEPXZOKRGYCAC-UHFFFAOYSA-N 1 0 423.561 2.705 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)Cc3ccc(F)c(F)c3)cc2)CC1 ZINC001129871769 1078568756 /nfs/dbraw/zinc/56/87/56/1078568756.db2.gz ISPFLTVWMVHSGB-UHFFFAOYSA-N 1 0 401.457 2.521 20 0 HFADRO COCCCN(C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001129600359 1078574283 /nfs/dbraw/zinc/57/42/83/1078574283.db2.gz LWMPCEOFJMOHRC-FUHWJXTLSA-N 1 0 415.550 2.541 20 0 HFADRO COCCCN(C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001129600361 1078574297 /nfs/dbraw/zinc/57/42/97/1078574297.db2.gz LWMPCEOFJMOHRC-SJLPKXTDSA-N 1 0 415.550 2.541 20 0 HFADRO COc1ccc([C@H](CC(=O)N(CC[NH+](C)C)Cc2ccsc2)NC(C)=O)cc1 ZINC001129585011 1078583735 /nfs/dbraw/zinc/58/37/35/1078583735.db2.gz MSENCBRGVJTEJH-FQEVSTJZSA-N 1 0 403.548 2.914 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000804566425 1078600403 /nfs/dbraw/zinc/60/04/03/1078600403.db2.gz QKOFSDPWKOYUBS-UHFFFAOYSA-N 1 0 421.343 2.763 20 0 HFADRO CC1=C(C(=O)NCCN(CC[NH+]2CCCCC2)C(=O)C2=C(C)OCCC2)CCCO1 ZINC000804590934 1078625878 /nfs/dbraw/zinc/62/58/78/1078625878.db2.gz RXIGXTDCMDZWCB-UHFFFAOYSA-N 1 0 419.566 2.586 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(C1CC[NH2+]CC1)S(=O)(=O)c1ccccn1 ZINC001170456933 1078616361 /nfs/dbraw/zinc/61/63/61/1078616361.db2.gz WKGDIKJRKKIIGY-QGZVFWFLSA-N 1 0 417.531 2.574 20 0 HFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 ZINC001129926507 1078619915 /nfs/dbraw/zinc/61/99/15/1078619915.db2.gz YUKCNJPPDGQKKD-UHFFFAOYSA-N 1 0 422.576 2.569 20 0 HFADRO CC(=O)c1ccc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(S(N)(=O)=O)c1 ZINC000804589168 1078623127 /nfs/dbraw/zinc/62/31/27/1078623127.db2.gz GKAIATKNXCMDOS-UHFFFAOYSA-N 1 0 416.547 2.675 20 0 HFADRO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC001129669401 1078628850 /nfs/dbraw/zinc/62/88/50/1078628850.db2.gz QQZPQJOYVPCFRS-UHFFFAOYSA-N 1 0 405.502 2.915 20 0 HFADRO COC[C@@]1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000804786093 1078641712 /nfs/dbraw/zinc/64/17/12/1078641712.db2.gz BESMHTGAMKJJQD-GCJKJVERSA-N 1 0 409.571 2.926 20 0 HFADRO CN(C(=O)C1CN(C(=O)C2CCCCC2)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129679007 1078642820 /nfs/dbraw/zinc/64/28/20/1078642820.db2.gz JUUCQAIRXQRSLY-UHFFFAOYSA-N 1 0 403.489 2.900 20 0 HFADRO CN(C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129679396 1078643327 /nfs/dbraw/zinc/64/33/27/1078643327.db2.gz NKUOUMHTLLAGPL-INIZCTEOSA-N 1 0 418.504 2.789 20 0 HFADRO O=C(NC1CCN(Cc2cccc(Br)c2)CC1)c1cnn2ccncc12 ZINC001129695215 1078654249 /nfs/dbraw/zinc/65/42/49/1078654249.db2.gz PSSDPAACLBCSJM-UHFFFAOYSA-N 1 0 414.307 2.886 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001129971218 1078665249 /nfs/dbraw/zinc/66/52/49/1078665249.db2.gz ZDFIYRUJCRMUDE-DENIHFKCSA-N 1 0 405.502 2.534 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000804828522 1078667671 /nfs/dbraw/zinc/66/76/71/1078667671.db2.gz QTBOYAWHRVZNOV-UHFFFAOYSA-N 1 0 414.594 2.874 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000804829345 1078669246 /nfs/dbraw/zinc/66/92/46/1078669246.db2.gz RCXIUSIHRHUQFN-UHFFFAOYSA-N 1 0 400.567 2.672 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000804829119 1078669737 /nfs/dbraw/zinc/66/97/37/1078669737.db2.gz LBVLIIRXQPBFAO-UHFFFAOYSA-N 1 0 422.573 2.882 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804831008 1078671829 /nfs/dbraw/zinc/67/18/29/1078671829.db2.gz CKLWIXHSQNCFDW-KNQAVFIVSA-N 1 0 422.573 2.786 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000804625989 1078678075 /nfs/dbraw/zinc/67/80/75/1078678075.db2.gz BCAILLFFVICNJM-UHFFFAOYSA-N 1 0 423.863 2.953 20 0 HFADRO Cc1c(Cl)c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)sc1S(N)(=O)=O ZINC000804867859 1078691726 /nfs/dbraw/zinc/69/17/26/1078691726.db2.gz MWSWENVKFXYRPA-UHFFFAOYSA-N 1 0 419.956 2.544 20 0 HFADRO CC[C@@H]1OCC[C@H]1NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129754430 1078697480 /nfs/dbraw/zinc/69/74/80/1078697480.db2.gz ZCHRDTVLDILZKS-MOPGFXCFSA-N 1 0 405.539 2.697 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804643988 1078698906 /nfs/dbraw/zinc/69/89/06/1078698906.db2.gz VLEYENLHMBLXPH-DENIHFKCSA-N 1 0 408.546 2.642 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000804643664 1078699516 /nfs/dbraw/zinc/69/95/16/1078699516.db2.gz NVPNGVOTYRBRJE-AEFFLSMTSA-N 1 0 414.937 2.829 20 0 HFADRO CC[C@@H]1CC([NH2+]CCS(=O)(=O)N2CCCC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170469485 1078718542 /nfs/dbraw/zinc/71/85/42/1078718542.db2.gz LHOYNIFPMKQHFV-QZTJIDSGSA-N 1 0 417.616 2.958 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170469484 1078718600 /nfs/dbraw/zinc/71/86/00/1078718600.db2.gz LHOYNIFPMKQHFV-NNZMDNLPSA-N 1 0 417.616 2.958 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000804912254 1078734781 /nfs/dbraw/zinc/73/47/81/1078734781.db2.gz SNFVNXAPLXAPSM-QAPCUYQASA-N 1 0 407.477 2.880 20 0 HFADRO C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000804914257 1078736549 /nfs/dbraw/zinc/73/65/49/1078736549.db2.gz ZYUHEXARZWKMAA-QXKUPLGCSA-N 1 0 406.493 2.736 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC1 ZINC000804944853 1078771408 /nfs/dbraw/zinc/77/14/08/1078771408.db2.gz JJIFRVSXCHLMCU-KBMIEXCESA-N 1 0 423.557 2.742 20 0 HFADRO Cc1nc(S(=O)(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Br)n1C ZINC000804965535 1078802393 /nfs/dbraw/zinc/80/23/93/1078802393.db2.gz OMRILADCNOGPGW-TXEJJXNPSA-N 1 0 421.405 2.526 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000804970714 1078806133 /nfs/dbraw/zinc/80/61/33/1078806133.db2.gz SXNRMOFJQDQJIT-QFBILLFUSA-N 1 0 413.440 2.788 20 0 HFADRO Cc1nc(Cl)ccc1S(=O)(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000804976807 1078811493 /nfs/dbraw/zinc/81/14/93/1078811493.db2.gz LOEXOCYKQILRRN-UHFFFAOYSA-N 1 0 408.955 2.766 20 0 HFADRO CCC[N@H+](C)[C@H](CNC(=O)NCCN1C(=O)CSC1=O)c1ccc(Cl)cc1 ZINC000805019728 1078830419 /nfs/dbraw/zinc/83/04/19/1078830419.db2.gz KCKTYQQBAJVDCZ-OAHLLOKOSA-N 1 0 412.943 2.718 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000805021736 1078832603 /nfs/dbraw/zinc/83/26/03/1078832603.db2.gz WCOBBBLJGCIJML-HNNXBMFYSA-N 1 0 411.999 2.926 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000805029194 1078842379 /nfs/dbraw/zinc/84/23/79/1078842379.db2.gz MKVJSBSVWZKTRC-KRWDZBQOSA-N 1 0 408.568 2.738 20 0 HFADRO [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001157906101 1078868349 /nfs/dbraw/zinc/86/83/49/1078868349.db2.gz ZZSVYBSKZAYUHY-OUAUKWLOSA-N 1 0 415.275 2.542 20 0 HFADRO Cc1nc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)c(Br)n1C ZINC000805068748 1078878447 /nfs/dbraw/zinc/87/84/47/1078878447.db2.gz RAHPAZKPNMQWLU-UHFFFAOYSA-N 1 0 421.405 2.766 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)c(I)c1 ZINC000747229006 1078887768 /nfs/dbraw/zinc/88/77/68/1078887768.db2.gz IHDDTOHVGMWPDN-NEPJUHHUSA-N 1 0 420.678 2.538 20 0 HFADRO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000805074727 1078906544 /nfs/dbraw/zinc/90/65/44/1078906544.db2.gz OIEOUVMXCSMGSF-WBVHZDCISA-N 1 0 401.429 2.632 20 0 HFADRO O=C(CCOc1ccc(Cl)cc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747229535 1078938210 /nfs/dbraw/zinc/93/82/10/1078938210.db2.gz KCCMKQCHMGOBDO-KGLIPLIRSA-N 1 0 417.731 2.851 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000805150538 1078946585 /nfs/dbraw/zinc/94/65/85/1078946585.db2.gz UVRLCTDWKIJWKQ-LPHOPBHVSA-N 1 0 416.566 2.783 20 0 HFADRO COC[C@@]1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000805156642 1078950240 /nfs/dbraw/zinc/95/02/40/1078950240.db2.gz DCRXPKBBPTXKTN-UELCKLHCSA-N 1 0 424.586 2.717 20 0 HFADRO C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184231 1078966090 /nfs/dbraw/zinc/96/60/90/1078966090.db2.gz LDPSLZRXUFWETQ-PKOBYXMFSA-N 1 0 402.539 2.914 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCCCc2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000805231284 1078975467 /nfs/dbraw/zinc/97/54/67/1078975467.db2.gz HBUFIMQRNGKIBG-XMMPIXPASA-N 1 0 411.521 2.903 20 0 HFADRO CCCCCCn1nc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2c1=O ZINC000747236313 1078995263 /nfs/dbraw/zinc/99/52/63/1078995263.db2.gz LIUDQTLXFLOLJS-ZWKOTPCHSA-N 1 0 412.534 2.570 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000805278002 1079005544 /nfs/dbraw/zinc/00/55/44/1079005544.db2.gz PIIJXHOCQQTGQL-UHFFFAOYSA-N 1 0 400.479 2.900 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000805331195 1079021730 /nfs/dbraw/zinc/02/17/30/1079021730.db2.gz HHEAYQVOJBBGMZ-RDTXWAMCSA-N 1 0 411.955 2.579 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000805336076 1079024424 /nfs/dbraw/zinc/02/44/24/1079024424.db2.gz DARKKRWCRZSYMU-IIBYNOLFSA-N 1 0 418.497 2.790 20 0 HFADRO Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC000805396715 1079038599 /nfs/dbraw/zinc/03/85/99/1079038599.db2.gz JQIMOPCSINIHLV-NRFANRHFSA-N 1 0 406.530 2.875 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000805420511 1079054843 /nfs/dbraw/zinc/05/48/43/1079054843.db2.gz HMLADUZGJKAIKE-OAQYLSRUSA-N 1 0 416.566 2.716 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F ZINC000805423961 1079057087 /nfs/dbraw/zinc/05/70/87/1079057087.db2.gz ZIYMJKAMZYWTNH-LSDHHAIUSA-N 1 0 419.522 2.646 20 0 HFADRO CN1C(=O)N[C@](C)(c2ccc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)C1=O ZINC001130225588 1079108730 /nfs/dbraw/zinc/10/87/30/1079108730.db2.gz BMCHQWGRULJLCA-UZUQRXQVSA-N 1 0 406.486 2.544 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130301195 1079192716 /nfs/dbraw/zinc/19/27/16/1079192716.db2.gz IUORDHOGNKMVKI-LESCRADOSA-N 1 0 420.351 2.935 20 0 HFADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001130302058 1079194300 /nfs/dbraw/zinc/19/43/00/1079194300.db2.gz VVANAWNHQFODQA-SFTDATJTSA-N 1 0 419.591 2.537 20 0 HFADRO CCOC(=O)C(C)(C)CC(=O)OCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000805660119 1079207531 /nfs/dbraw/zinc/20/75/31/1079207531.db2.gz GZZOSCSUWQJQGO-UHFFFAOYSA-N 1 0 418.534 2.552 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000747264080 1079213126 /nfs/dbraw/zinc/21/31/26/1079213126.db2.gz YBSMBLILTHNPLM-UHFFFAOYSA-N 1 0 408.495 2.885 20 0 HFADRO Cc1cccc(C)c1CNC(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000805676130 1079215021 /nfs/dbraw/zinc/21/50/21/1079215021.db2.gz ZUGJNJHHNUPCDG-UHFFFAOYSA-N 1 0 423.557 2.753 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000747266170 1079235339 /nfs/dbraw/zinc/23/53/39/1079235339.db2.gz HDSRMCJOTKXMPM-IFCKCIONSA-N 1 0 402.516 2.672 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C[C@H](O)CC(C)(C)C)CC2)cc1 ZINC000805729922 1079238563 /nfs/dbraw/zinc/23/85/63/1079238563.db2.gz WIJCAXBOFDAMCO-FQEVSTJZSA-N 1 0 404.551 2.760 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000805741458 1079244098 /nfs/dbraw/zinc/24/40/98/1079244098.db2.gz GJMCJPMOTZFWGH-UHFFFAOYSA-N 1 0 414.594 2.697 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(Cn4ccnc4)cn3)cc2)CC1 ZINC001170488739 1079251381 /nfs/dbraw/zinc/25/13/81/1079251381.db2.gz BYIGDLOBDFRYFG-QHGAOEGBSA-N 1 0 404.518 2.698 20 0 HFADRO COC(=O)c1cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)nc2[nH]ccc21 ZINC001170488779 1079252350 /nfs/dbraw/zinc/25/23/50/1079252350.db2.gz DBSSPWAFMFFYLC-QQFBHYJXSA-N 1 0 421.501 2.721 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000805764341 1079265096 /nfs/dbraw/zinc/26/50/96/1079265096.db2.gz CKJTUPGDMNFSAC-QGZVFWFLSA-N 1 0 410.559 2.914 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000805762727 1079263634 /nfs/dbraw/zinc/26/36/34/1079263634.db2.gz DWIGFAIJFSGYDY-KRWDZBQOSA-N 1 0 400.527 2.974 20 0 HFADRO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)[C@@H](C)C[N@@H+]1C ZINC001130371004 1079271298 /nfs/dbraw/zinc/27/12/98/1079271298.db2.gz YUXGAJMIEFFNBR-IVSAIRAKSA-N 1 0 411.468 2.993 20 0 HFADRO COc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(CCS(C)(=O)=O)c2C)c(C)c1OC ZINC000805833091 1079272801 /nfs/dbraw/zinc/27/28/01/1079272801.db2.gz RXSGOSKRXLYPSO-CQSZACIVSA-N 1 0 409.552 2.721 20 0 HFADRO CC[C@H]1CC([NH+]2CCN(CC(=O)N(C)C)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170488955 1079275277 /nfs/dbraw/zinc/27/52/77/1079275277.db2.gz AIBCKQZXIYJGQN-ROUUACIJSA-N 1 0 410.603 2.649 20 0 HFADRO CCOC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)cc(=O)oc2c1 ZINC000805811192 1079286086 /nfs/dbraw/zinc/28/60/86/1079286086.db2.gz MMEDSJFQSWEDPB-HNNXBMFYSA-N 1 0 413.474 2.806 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000805815794 1079288743 /nfs/dbraw/zinc/28/87/43/1079288743.db2.gz QKUCACVQFBUTSR-UHFFFAOYSA-N 1 0 404.511 2.651 20 0 HFADRO COc1nc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)ncc1C(F)(F)F ZINC001170490795 1079301354 /nfs/dbraw/zinc/30/13/54/1079301354.db2.gz WQOXJJDSDSHTEA-IYXRBSQSSA-N 1 0 423.439 2.876 20 0 HFADRO CCN1C[C@H](C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)OC1=O ZINC001170490742 1079317926 /nfs/dbraw/zinc/31/79/26/1079317926.db2.gz ODVSBBAECZVYOU-ZBFHGGJFSA-N 1 0 414.287 2.996 20 0 HFADRO CC1(C(=O)OCCN2C(=O)c3ccncc3C2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000805888687 1079339738 /nfs/dbraw/zinc/33/97/38/1079339738.db2.gz UGRVVSBYUNKVIX-UHFFFAOYSA-N 1 0 407.470 2.523 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)CCC2 ZINC000805942334 1079345166 /nfs/dbraw/zinc/34/51/66/1079345166.db2.gz IWAKHSYBJCGOCA-RDTXWAMCSA-N 1 0 400.548 2.582 20 0 HFADRO C[C@@H](CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)[N@H+](C)Cc1ccccc1 ZINC000747281768 1079352224 /nfs/dbraw/zinc/35/22/24/1079352224.db2.gz ICNYYENQQBZOAT-INIZCTEOSA-N 1 0 400.500 2.982 20 0 HFADRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCS(=O)(=O)N1CCCC1 ZINC001130458277 1079381761 /nfs/dbraw/zinc/38/17/61/1079381761.db2.gz KBRKYVWBKXSASK-XUVXKRRUSA-N 1 0 421.607 2.702 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000747284153 1079384159 /nfs/dbraw/zinc/38/41/59/1079384159.db2.gz XHUGPYUKDRGXLB-KTZABMDBSA-N 1 0 414.527 2.768 20 0 HFADRO C[C@@H]([NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000806132895 1079434805 /nfs/dbraw/zinc/43/48/05/1079434805.db2.gz CDGNRJXVBJPVKS-GOSISDBHSA-N 1 0 414.554 2.861 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC001130523491 1079458593 /nfs/dbraw/zinc/45/85/93/1079458593.db2.gz CFRNQVAJBXLSIJ-UHFFFAOYSA-N 1 0 423.348 2.699 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000806154227 1079470560 /nfs/dbraw/zinc/47/05/60/1079470560.db2.gz BZVWABFNANOXAX-FQEVSTJZSA-N 1 0 417.554 2.961 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000806174609 1079463578 /nfs/dbraw/zinc/46/35/78/1079463578.db2.gz ZLXBSONQVMXPAW-WDSOQIARSA-N 1 0 410.580 2.925 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000806173322 1079463676 /nfs/dbraw/zinc/46/36/76/1079463676.db2.gz HWLBHKHVHCAPMJ-ZJPYXAASSA-N 1 0 400.585 2.969 20 0 HFADRO CC(C)n1cc([C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000806158343 1079471736 /nfs/dbraw/zinc/47/17/36/1079471736.db2.gz XYDDOUMKQZAFBM-FDDCHVKYSA-N 1 0 411.550 2.670 20 0 HFADRO C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000806182849 1079477226 /nfs/dbraw/zinc/47/72/26/1079477226.db2.gz FCNPVGJSYUTOCG-MJGOQNOKSA-N 1 0 413.543 2.927 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc4nc(C(N)=O)ccc4c3)cc2)CC1 ZINC001170501197 1079498193 /nfs/dbraw/zinc/49/81/93/1079498193.db2.gz WEYNOCGVKFBGDG-KLAILNCOSA-N 1 0 417.513 2.705 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000806248544 1079501769 /nfs/dbraw/zinc/50/17/69/1079501769.db2.gz FNTVPAPOTCYQAH-RHSMWYFYSA-N 1 0 402.520 2.973 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000806248955 1079501814 /nfs/dbraw/zinc/50/18/14/1079501814.db2.gz PNLMSEGUJIYYLH-YOEHRIQHSA-N 1 0 402.520 2.973 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)n[nH]2)C1 ZINC000787300421 1076748678 /nfs/dbraw/zinc/74/86/78/1076748678.db2.gz JXLVBZRYSVORLV-CQSZACIVSA-N 1 0 423.477 2.967 20 0 HFADRO CCc1ccc(CN(C)C(=O)C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000746675000 1076748689 /nfs/dbraw/zinc/74/86/89/1076748689.db2.gz ZCAWTPHCQGZYLW-RUZDIDTESA-N 1 0 409.574 2.824 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@H](C)C1 ZINC000787301663 1076749512 /nfs/dbraw/zinc/74/95/12/1076749512.db2.gz CBIXICIIMRNXTL-IERDGZPVSA-N 1 0 415.534 2.978 20 0 HFADRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000787310497 1076757145 /nfs/dbraw/zinc/75/71/45/1076757145.db2.gz YDYMEPMEEHCUEL-LZJOCLMNSA-N 1 0 418.563 2.529 20 0 HFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787316685 1076760190 /nfs/dbraw/zinc/76/01/90/1076760190.db2.gz JWTFXVHWTBYBRJ-HOTGVXAUSA-N 1 0 405.543 2.690 20 0 HFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787316687 1076760236 /nfs/dbraw/zinc/76/02/36/1076760236.db2.gz JWTFXVHWTBYBRJ-HZPDHXFCSA-N 1 0 405.543 2.690 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1 ZINC000787336335 1076782328 /nfs/dbraw/zinc/78/23/28/1076782328.db2.gz SDTUAUZUDPVFKR-UHFFFAOYSA-N 1 0 410.486 2.858 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347022 1076788276 /nfs/dbraw/zinc/78/82/76/1076788276.db2.gz RYPRBDSIJFBROL-CVEARBPZSA-N 1 0 405.543 2.738 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 ZINC000787352592 1076793101 /nfs/dbraw/zinc/79/31/01/1076793101.db2.gz GAKJZZVLBDIEDD-HSZRJFAPSA-N 1 0 408.502 2.934 20 0 HFADRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787388777 1076804799 /nfs/dbraw/zinc/80/47/99/1076804799.db2.gz ZBMOKNBBCHGPTP-RVKKMQEKSA-N 1 0 405.543 2.546 20 0 HFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393012 1076806147 /nfs/dbraw/zinc/80/61/47/1076806147.db2.gz FSKHECOXIGVGPI-JKSUJKDBSA-N 1 0 405.543 2.690 20 0 HFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393190 1076806392 /nfs/dbraw/zinc/80/63/92/1076806392.db2.gz GUXYVPXYHCASNF-HZPDHXFCSA-N 1 0 405.543 2.548 20 0 HFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393195 1076806465 /nfs/dbraw/zinc/80/64/65/1076806465.db2.gz GUXYVPXYHCASNF-JKSUJKDBSA-N 1 0 405.543 2.548 20 0 HFADRO CC(C)C(=O)Nc1cccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1 ZINC001170073323 1076818178 /nfs/dbraw/zinc/81/81/78/1076818178.db2.gz JPKUZKKIDKHCQL-UHFFFAOYSA-N 1 0 412.515 2.983 20 0 HFADRO [NH3+]CCN(c1cnc(Oc2ccccc2)nc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170073317 1076818292 /nfs/dbraw/zinc/81/82/92/1076818292.db2.gz JHIXKWXMOCXCTA-UHFFFAOYSA-N 1 0 421.482 2.971 20 0 HFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000787435366 1076823199 /nfs/dbraw/zinc/82/31/99/1076823199.db2.gz WHYCNEQUWLKNFW-UHFFFAOYSA-N 1 0 424.520 2.708 20 0 HFADRO [NH3+]CCN(c1ccc(Cn2ccnc2)cc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170073846 1076824580 /nfs/dbraw/zinc/82/45/80/1076824580.db2.gz OKFXAHRFOCSTHP-UHFFFAOYSA-N 1 0 407.499 2.634 20 0 HFADRO COCc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000787502345 1076828182 /nfs/dbraw/zinc/82/81/82/1076828182.db2.gz BQDJQSXEXIABBU-UHFFFAOYSA-N 1 0 401.551 2.610 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 ZINC000787506284 1076828913 /nfs/dbraw/zinc/82/89/13/1076828913.db2.gz GMIMVEQSYNLEOW-HXUWFJFHSA-N 1 0 411.481 2.726 20 0 HFADRO CC1(c2cccc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)c2)OCCO1 ZINC001170074138 1076834192 /nfs/dbraw/zinc/83/41/92/1076834192.db2.gz DZKBEUZSNOVBGY-UHFFFAOYSA-N 1 0 413.499 2.608 20 0 HFADRO COc1cnc2cc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)ccc2c1 ZINC001170074388 1076840014 /nfs/dbraw/zinc/84/00/14/1076840014.db2.gz GSDDMFHPFCBQTE-UHFFFAOYSA-N 1 0 408.483 2.946 20 0 HFADRO C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000787482283 1076841188 /nfs/dbraw/zinc/84/11/88/1076841188.db2.gz IDTLXPQIFBIOCI-RHSMWYFYSA-N 1 0 401.885 2.953 20 0 HFADRO O=C(/C(=C/c1cccs1)n1nnnc1-c1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000787523348 1076846793 /nfs/dbraw/zinc/84/67/93/1076846793.db2.gz MRKNOTLRISASIJ-CYVLTUHYSA-N 1 0 406.515 2.706 20 0 HFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787563662 1076866031 /nfs/dbraw/zinc/86/60/31/1076866031.db2.gz QVDHIBYFKNLEKP-OAHLLOKOSA-N 1 0 405.543 2.690 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCc2ccccc2OC1)c1ccsc1 ZINC000787616076 1076879890 /nfs/dbraw/zinc/87/98/90/1076879890.db2.gz KTSYCMNUFJSOJU-RTBURBONSA-N 1 0 415.559 2.757 20 0 HFADRO Cc1cccc(OCCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1C ZINC000787616975 1076880188 /nfs/dbraw/zinc/88/01/88/1076880188.db2.gz DIXGWZKNMBPQQU-UHFFFAOYSA-N 1 0 424.545 2.579 20 0 HFADRO C[C@@H]1CN(c2ccc(N[C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)nn2)CC[NH2+]1 ZINC001170075658 1076881523 /nfs/dbraw/zinc/88/15/23/1076881523.db2.gz FEBRLLXDRYCYOU-NQIIRXRSSA-N 1 0 422.577 2.747 20 0 HFADRO COc1cnc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c2ccccc12 ZINC001170075411 1076886647 /nfs/dbraw/zinc/88/66/47/1076886647.db2.gz WYJPNTXZPRLBCA-UHFFFAOYSA-N 1 0 408.483 2.946 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)CCC2 ZINC000787637904 1076891764 /nfs/dbraw/zinc/89/17/64/1076891764.db2.gz LYDISABWSBULCI-MOPGFXCFSA-N 1 0 415.513 2.516 20 0 HFADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C ZINC000787643163 1076893979 /nfs/dbraw/zinc/89/39/79/1076893979.db2.gz QUWRTXLIQYSBBS-HOTGVXAUSA-N 1 0 418.538 2.752 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000746701545 1076901770 /nfs/dbraw/zinc/90/17/70/1076901770.db2.gz BDTTYACLFPVATD-UHFFFAOYSA-N 1 0 412.559 2.726 20 0 HFADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000787664389 1076903507 /nfs/dbraw/zinc/90/35/07/1076903507.db2.gz HTYHAEASZPCLBZ-HSZRJFAPSA-N 1 0 405.542 2.554 20 0 HFADRO CC(C)[C@@H](CNS(=O)(=O)c1cnn(Cc2ccccc2)c1)[NH+]1CCC(C)CC1 ZINC000746702019 1076906117 /nfs/dbraw/zinc/90/61/17/1076906117.db2.gz JDTUCINIQKOEKG-OAQYLSRUSA-N 1 0 404.580 2.966 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000787671575 1076906624 /nfs/dbraw/zinc/90/66/24/1076906624.db2.gz LYRWWMHIINYPQF-ZWKOTPCHSA-N 1 0 409.571 2.735 20 0 HFADRO [NH3+]CCN(c1ccc(F)c(-n2ccnc2)c1)S(=O)(=O)c1cccc2cnccc21 ZINC001170076219 1076906936 /nfs/dbraw/zinc/90/69/36/1076906936.db2.gz UVZBEOCODWVSIU-UHFFFAOYSA-N 1 0 411.462 2.714 20 0 HFADRO CC(C)c1ccc(N2CC[C@@H](C(=O)N3CC[N@@H+](C4CCOCC4)C[C@H]3C)C2=O)cc1 ZINC000787679419 1076908404 /nfs/dbraw/zinc/90/84/04/1076908404.db2.gz QLBAUVDYJNNPLY-GCJKJVERSA-N 1 0 413.562 2.875 20 0 HFADRO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC000787680040 1076908974 /nfs/dbraw/zinc/90/89/74/1076908974.db2.gz ZZQXBWLAUVFXKA-YQVWRLOYSA-N 1 0 409.571 2.734 20 0 HFADRO [NH3+]C1CCN(c2nccc(N[C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)n2)CC1 ZINC001170076487 1076910056 /nfs/dbraw/zinc/91/00/56/1076910056.db2.gz HMYXKNOUYIOTSR-NRFANRHFSA-N 1 0 422.577 2.876 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000787689655 1076913402 /nfs/dbraw/zinc/91/34/02/1076913402.db2.gz MHZVNPJJWQLVOZ-OFAXGOBFSA-N 1 0 408.546 2.885 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000787705946 1076919509 /nfs/dbraw/zinc/91/95/09/1076919509.db2.gz MHMQWAVAIMHBNJ-QGZVFWFLSA-N 1 0 407.559 2.725 20 0 HFADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCC(c2ccccc2)CC1 ZINC000787707347 1076919815 /nfs/dbraw/zinc/91/98/15/1076919815.db2.gz DFUDTFBEPVVDME-UHFFFAOYSA-N 1 0 405.542 2.957 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCC(c3nnc4ccccn43)CC2)C1 ZINC000787718714 1076925152 /nfs/dbraw/zinc/92/51/52/1076925152.db2.gz SYSTZIMBFOVXSN-HTAPYJJXSA-N 1 0 415.538 2.669 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCC(c3nnc4ccccn43)CC2)C1 ZINC000787718720 1076925228 /nfs/dbraw/zinc/92/52/28/1076925228.db2.gz SYSTZIMBFOVXSN-VGSWGCGISA-N 1 0 415.538 2.669 20 0 HFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000787751831 1076927053 /nfs/dbraw/zinc/92/70/53/1076927053.db2.gz RZUISWJSGLSMRB-GOSISDBHSA-N 1 0 417.531 2.738 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000787760399 1076929617 /nfs/dbraw/zinc/92/96/17/1076929617.db2.gz ILLWGWQDBOEGON-ARFHVFGLSA-N 1 0 411.568 2.776 20 0 HFADRO Cn1cc(C[NH2+][C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C(F)(F)F)n1 ZINC000787761331 1076929918 /nfs/dbraw/zinc/92/99/18/1076929918.db2.gz JQYQLWZLKKOBKS-CABCVRRESA-N 1 0 418.460 2.943 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCC(OC[C@H]3CCCCO3)CC2)C1 ZINC000787728859 1076933243 /nfs/dbraw/zinc/93/32/43/1076933243.db2.gz CXKAKDIKPSMVAZ-KNKQGSTJSA-N 1 0 412.571 2.797 20 0 HFADRO C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccc(N2CCCC2=O)cc1 ZINC000787730908 1076933740 /nfs/dbraw/zinc/93/37/40/1076933740.db2.gz ORNLRVFMKSVVKJ-CYBMUJFWSA-N 1 0 407.923 2.965 20 0 HFADRO Cc1nc2ccccn2c(=O)c1CC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000787731501 1076933828 /nfs/dbraw/zinc/93/38/28/1076933828.db2.gz RZDCLWWAVBTYPK-JOCHJYFZSA-N 1 0 400.523 2.828 20 0 HFADRO CC[C@H](CNC(=O)C(=O)Nc1cc(C)cnc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000787877219 1076972430 /nfs/dbraw/zinc/97/24/30/1076972430.db2.gz OQQFQOWWNUTHIM-QGZVFWFLSA-N 1 0 400.910 2.935 20 0 HFADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000787880373 1076974384 /nfs/dbraw/zinc/97/43/84/1076974384.db2.gz RYAYAZSSWLPETM-GJZGRUSLSA-N 1 0 411.930 2.683 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2ccc(F)cc2F)cc1 ZINC000787886301 1076978053 /nfs/dbraw/zinc/97/80/53/1076978053.db2.gz XIWVBGVWYVZCTQ-QFIPXVFZSA-N 1 0 419.472 2.769 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000787892334 1076980411 /nfs/dbraw/zinc/98/04/11/1076980411.db2.gz XCRHHYUKMFPBMF-KZNAEPCWSA-N 1 0 407.605 2.963 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000787893411 1076980865 /nfs/dbraw/zinc/98/08/65/1076980865.db2.gz FAOYTQIYGWEWFV-QFIPXVFZSA-N 1 0 415.578 2.587 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000787903849 1076989009 /nfs/dbraw/zinc/98/90/09/1076989009.db2.gz OIMZKKJQCZCIJY-IBGZPJMESA-N 1 0 423.561 2.528 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)cc1C ZINC000787905669 1076989207 /nfs/dbraw/zinc/98/92/07/1076989207.db2.gz ZALUYIORVHUBAW-OAQYLSRUSA-N 1 0 414.594 2.723 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000787907807 1076990421 /nfs/dbraw/zinc/99/04/21/1076990421.db2.gz BAUWNILEXGFTRD-AQNXPRMDSA-N 1 0 403.567 2.753 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)CC2)cc1C ZINC000787909709 1076991769 /nfs/dbraw/zinc/99/17/69/1076991769.db2.gz MLWDOBPVRUITIX-IBGZPJMESA-N 1 0 414.594 2.580 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000787911244 1076992128 /nfs/dbraw/zinc/99/21/28/1076992128.db2.gz NMDJFGAUIBIBMB-JXXFODFXSA-N 1 0 405.970 2.798 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)C2)cc1 ZINC000787913044 1076993247 /nfs/dbraw/zinc/99/32/47/1076993247.db2.gz UXRUQPUEZJIKLE-NHCUHLMSSA-N 1 0 414.594 2.708 20 0 HFADRO CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000787920308 1076996840 /nfs/dbraw/zinc/99/68/40/1076996840.db2.gz ZNXLMLLKGBMBSG-UHFFFAOYSA-N 1 0 421.497 2.775 20 0 HFADRO Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000787925660 1076999017 /nfs/dbraw/zinc/99/90/17/1076999017.db2.gz KVHPNHRSSWYZMT-QFIPXVFZSA-N 1 0 417.513 2.552 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC(O)(c3ccccc3)CC2)cc1 ZINC000787895423 1077002659 /nfs/dbraw/zinc/00/26/59/1077002659.db2.gz IXUHPBSAERDVQN-UHFFFAOYSA-N 1 0 409.530 2.977 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000787962448 1077010287 /nfs/dbraw/zinc/01/02/87/1077010287.db2.gz PAVOOHREDLPLOU-NTKDMRAZSA-N 1 0 409.530 2.842 20 0 HFADRO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCCC[NH+]1CCCC1 ZINC000787970204 1077012284 /nfs/dbraw/zinc/01/22/84/1077012284.db2.gz AEJXQPASCUMVQX-UHFFFAOYSA-N 1 0 424.563 2.903 20 0 HFADRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000751116007 1077021685 /nfs/dbraw/zinc/02/16/85/1077021685.db2.gz ARSXHDVMUCBGKB-UHFFFAOYSA-N 1 0 409.335 2.790 20 0 HFADRO NC(=O)c1c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)sc2c1CCCC2 ZINC000787995921 1077022860 /nfs/dbraw/zinc/02/28/60/1077022860.db2.gz OBWONSKKUHAKFK-MORSLUCNSA-N 1 0 403.548 2.602 20 0 HFADRO O=C(CCn1cnc2ccc(Br)cc2c1=O)OCCC[NH+]1CCCC1 ZINC000787986943 1077033472 /nfs/dbraw/zinc/03/34/72/1077033472.db2.gz FMUKUCGOMXFUIP-UHFFFAOYSA-N 1 0 408.296 2.578 20 0 HFADRO Cc1nccn1-c1ccc(CNC(=O)NCc2ccccc2OCC[NH+](C)C)cn1 ZINC000746726509 1077038948 /nfs/dbraw/zinc/03/89/48/1077038948.db2.gz VYKZJFNOMNJVDR-UHFFFAOYSA-N 1 0 408.506 2.516 20 0 HFADRO C[NH+](C)CC1CCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)CC1 ZINC000788045162 1077039665 /nfs/dbraw/zinc/03/96/65/1077039665.db2.gz CRLMNGIHNKNNBO-UHFFFAOYSA-N 1 0 414.731 2.863 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)n1 ZINC000788051352 1077042072 /nfs/dbraw/zinc/04/20/72/1077042072.db2.gz JEKQTVFVENBOJX-UHFFFAOYSA-N 1 0 417.869 2.990 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(CN(C)C(=O)OC)cc2)C1 ZINC000746725924 1077044344 /nfs/dbraw/zinc/04/43/44/1077044344.db2.gz TZVKVCDGDPQMFB-IBGZPJMESA-N 1 0 406.527 2.849 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@H]3CCCN(Cc4ncccn4)C3)cc2)CC1 ZINC000788064480 1077047706 /nfs/dbraw/zinc/04/77/06/1077047706.db2.gz FTXGURDSJGGWHV-QFIPXVFZSA-N 1 0 423.561 2.828 20 0 HFADRO C[N@H+](CCN1CCN(C(=O)CC2CCC3(CC2)OCCO3)CC1)Cc1ccccc1 ZINC000788090629 1077055743 /nfs/dbraw/zinc/05/57/43/1077055743.db2.gz MBNBIRIYUHUTKJ-UHFFFAOYSA-N 1 0 415.578 2.586 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)C1 ZINC000746730518 1077069343 /nfs/dbraw/zinc/06/93/43/1077069343.db2.gz URZASTCHFNXTMN-KRWDZBQOSA-N 1 0 420.510 2.616 20 0 HFADRO Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCC4(C[NH+](C)C4)C3)cc2)c1 ZINC000788203222 1077078675 /nfs/dbraw/zinc/07/86/75/1077078675.db2.gz NRHHPQKFAXZELT-UHFFFAOYSA-N 1 0 414.527 2.849 20 0 HFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000788227376 1077083435 /nfs/dbraw/zinc/08/34/35/1077083435.db2.gz FKCYMDXDPOLMRG-UHFFFAOYSA-N 1 0 417.550 2.575 20 0 HFADRO CCCNC(=O)CN1CCC([NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788250901 1077086891 /nfs/dbraw/zinc/08/68/91/1077086891.db2.gz XSAPHMSDEBJESR-OALUTQOASA-N 1 0 410.603 2.793 20 0 HFADRO COc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cnc1Br ZINC000788237343 1077090219 /nfs/dbraw/zinc/09/02/19/1077090219.db2.gz DORAONCPAYZXOI-UHFFFAOYSA-N 1 0 405.296 2.894 20 0 HFADRO CC(C)N1C(=S)N=NC1CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000788302793 1077092082 /nfs/dbraw/zinc/09/20/82/1077092082.db2.gz OYLSRQLIAPESPV-UHFFFAOYSA-N 1 0 413.551 2.503 20 0 HFADRO C[NH+]1CCC(NC(=S)N2CCN(C(=O)c3cc4ccccc4s3)CC2)CC1 ZINC000788341307 1077111085 /nfs/dbraw/zinc/11/10/85/1077111085.db2.gz QECMKBKWOFGYBI-UHFFFAOYSA-N 1 0 402.589 2.628 20 0 HFADRO CC(=O)N1CC(C(=O)OC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000788370107 1077130101 /nfs/dbraw/zinc/13/01/01/1077130101.db2.gz QRJMAYFJMSCENI-UHFFFAOYSA-N 1 0 400.397 2.571 20 0 HFADRO CC(C)(C)SCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000788369994 1077130147 /nfs/dbraw/zinc/13/01/47/1077130147.db2.gz DDHJRIVIFGRBJZ-UHFFFAOYSA-N 1 0 401.642 2.502 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000746746040 1077131404 /nfs/dbraw/zinc/13/14/04/1077131404.db2.gz COBOETIDSNZAQQ-OAQYLSRUSA-N 1 0 416.566 2.565 20 0 HFADRO CC(C)(C)SCCNC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000788378868 1077134657 /nfs/dbraw/zinc/13/46/57/1077134657.db2.gz HUCNZASFDVFVAU-UHFFFAOYSA-N 1 0 413.628 2.564 20 0 HFADRO Cn1ccnc1[C@](O)(CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F ZINC000788448080 1077162494 /nfs/dbraw/zinc/16/24/94/1077162494.db2.gz UUBMLFBVDCEVPF-QZTJIDSGSA-N 1 0 420.476 2.797 20 0 HFADRO COCCCNC(=O)C1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000788479338 1077174226 /nfs/dbraw/zinc/17/42/26/1077174226.db2.gz SZSRKOFBLRBVIW-GOSISDBHSA-N 1 0 411.587 2.888 20 0 HFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788518761 1077189395 /nfs/dbraw/zinc/18/93/95/1077189395.db2.gz KTHPATSCDZJYKN-UHFFFAOYSA-N 1 0 417.497 2.726 20 0 HFADRO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000746747693 1077190951 /nfs/dbraw/zinc/19/09/51/1077190951.db2.gz SRDQOYQZFWIYTN-CALCHBBNSA-N 1 0 412.575 2.527 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788564578 1077200221 /nfs/dbraw/zinc/20/02/21/1077200221.db2.gz SRLRRRDEGXLZLO-CGTJXYLNSA-N 1 0 409.452 2.764 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NCCSC(F)(F)F ZINC000788530129 1077203883 /nfs/dbraw/zinc/20/38/83/1077203883.db2.gz VUINSOMJPLSFDC-ZIAGYGMSSA-N 1 0 417.497 2.628 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000788568770 1077208809 /nfs/dbraw/zinc/20/88/09/1077208809.db2.gz DDGQYENXRPTTGK-FUHWJXTLSA-N 1 0 411.568 2.590 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]CCn2ccnc2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788581448 1077212292 /nfs/dbraw/zinc/21/22/92/1077212292.db2.gz ARZYMYHHUDSFRY-MRXNPFEDSA-N 1 0 408.543 2.750 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788589021 1077214370 /nfs/dbraw/zinc/21/43/70/1077214370.db2.gz PPCPTEKIDDBDAR-CYBMUJFWSA-N 1 0 414.344 2.988 20 0 HFADRO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1nc(Br)ccc1F ZINC000788593289 1077215779 /nfs/dbraw/zinc/21/57/79/1077215779.db2.gz ODRZYMIFDQTOQX-LBPRGKRZSA-N 1 0 401.324 2.577 20 0 HFADRO COc1cccc([C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c2nccn2C)c1 ZINC000788593264 1077215798 /nfs/dbraw/zinc/21/57/98/1077215798.db2.gz WHLZXURKDWSLPI-HXUWFJFHSA-N 1 0 414.531 2.558 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000788607459 1077222490 /nfs/dbraw/zinc/22/24/90/1077222490.db2.gz FPUNDFSLKJIZOV-UHFFFAOYSA-N 1 0 417.531 2.644 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1Cl ZINC000788653179 1077226706 /nfs/dbraw/zinc/22/67/06/1077226706.db2.gz QHEGBIXOPHOVIF-NWDGAFQWSA-N 1 0 406.957 2.601 20 0 HFADRO COc1cccc([C@H](O)CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000790923826 1077233476 /nfs/dbraw/zinc/23/34/76/1077233476.db2.gz ZNDNHDCCZAGURG-JOCHJYFZSA-N 1 0 413.518 2.701 20 0 HFADRO CN(Cc1cccc(C(N)=O)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000790925253 1077234072 /nfs/dbraw/zinc/23/40/72/1077234072.db2.gz DYSAYYKGSGPZKC-UHFFFAOYSA-N 1 0 410.518 2.600 20 0 HFADRO COc1cc(C)c(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000788624547 1077234114 /nfs/dbraw/zinc/23/41/14/1077234114.db2.gz CXNXSEXFOGZWSJ-HNNXBMFYSA-N 1 0 402.944 2.579 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@](C)(O)c3cccs3)cc2)CC1 ZINC000790926533 1077234679 /nfs/dbraw/zinc/23/46/79/1077234679.db2.gz NFUZBBQEEBKGAR-OAQYLSRUSA-N 1 0 403.548 2.928 20 0 HFADRO COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000788638374 1077241876 /nfs/dbraw/zinc/24/18/76/1077241876.db2.gz KQWAWIPOLPORNH-GOSISDBHSA-N 1 0 410.923 2.984 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCOc2ccc(F)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788641017 1077243850 /nfs/dbraw/zinc/24/38/50/1077243850.db2.gz VBQLFMNZMFLNDS-IAGOWNOFSA-N 1 0 414.449 2.874 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1Cl ZINC000788641537 1077244445 /nfs/dbraw/zinc/24/44/45/1077244445.db2.gz QTIPFGDUDBHQKV-ZDUSSCGKSA-N 1 0 420.984 2.849 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000790911949 1077246648 /nfs/dbraw/zinc/24/66/48/1077246648.db2.gz WSMPARKMSBFZBZ-UHFFFAOYSA-N 1 0 400.567 2.553 20 0 HFADRO CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788688847 1077251903 /nfs/dbraw/zinc/25/19/03/1077251903.db2.gz MHINKQIKHFZMRM-FCHUYYIVSA-N 1 0 408.546 2.602 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)o1 ZINC000788656181 1077254514 /nfs/dbraw/zinc/25/45/14/1077254514.db2.gz KYLXYOODROIWSO-DOTOQJQBSA-N 1 0 420.510 2.511 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000788657519 1077255924 /nfs/dbraw/zinc/25/59/24/1077255924.db2.gz FXIZSGPHUOUTKA-DUXKGJEZSA-N 1 0 422.529 2.523 20 0 HFADRO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)Cn3cc(Br)ccc3=O)C2=O)cc1 ZINC000788665480 1077259783 /nfs/dbraw/zinc/25/97/83/1077259783.db2.gz ODROMDOKJROPDE-YOEHRIQHSA-N 1 0 404.308 2.703 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cccc4c[nH]nc43)CC2)cc1 ZINC000746951321 1077260498 /nfs/dbraw/zinc/26/04/98/1077260498.db2.gz PUAVUSFCXVUYDG-UHFFFAOYSA-N 1 0 406.486 2.763 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(NN4C(=O)[C@@H]5CC=CC[C@H]5C4=O)c3)CC[C@H]21 ZINC000788668624 1077261305 /nfs/dbraw/zinc/26/13/05/1077261305.db2.gz QHLBQTJITMAYDC-CWJKEVGVSA-N 1 0 422.529 2.521 20 0 HFADRO CN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788703168 1077264216 /nfs/dbraw/zinc/26/42/16/1077264216.db2.gz CTDKHHWLGGCJRA-JOCHJYFZSA-N 1 0 424.545 2.570 20 0 HFADRO CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788712947 1077268383 /nfs/dbraw/zinc/26/83/83/1077268383.db2.gz NUHXQWKQNGUWEB-RBUKOAKNSA-N 1 0 400.548 2.793 20 0 HFADRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cc1 ZINC000788695014 1077274504 /nfs/dbraw/zinc/27/45/04/1077274504.db2.gz YQADMCDQBQVULU-LPHOPBHVSA-N 1 0 405.539 2.937 20 0 HFADRO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788751686 1077276648 /nfs/dbraw/zinc/27/66/48/1077276648.db2.gz SQYSXPXRRDHRIY-HNNXBMFYSA-N 1 0 409.552 2.572 20 0 HFADRO COc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(OCCOC(C)C)c1 ZINC000788742251 1077286687 /nfs/dbraw/zinc/28/66/87/1077286687.db2.gz NIAWKGROPRWUKI-HXUWFJFHSA-N 1 0 420.550 2.872 20 0 HFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788775470 1077297543 /nfs/dbraw/zinc/29/75/43/1077297543.db2.gz LBIRQRPDDBTWEZ-GDBMZVCRSA-N 1 0 409.452 2.622 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]CC2(C)OCCCO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788780375 1077299257 /nfs/dbraw/zinc/29/92/57/1077299257.db2.gz CWVRJYMFIWNFQW-MRXNPFEDSA-N 1 0 414.543 2.698 20 0 HFADRO C[NH+]1CCC(CCO)(NC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000791139960 1077305406 /nfs/dbraw/zinc/30/54/06/1077305406.db2.gz RLDSAIFHGPPAMY-UHFFFAOYSA-N 1 0 405.539 2.929 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)CCN1C(=O)OC(C)(C)C ZINC000788814695 1077306303 /nfs/dbraw/zinc/30/63/03/1077306303.db2.gz AAZRYQOXVVHLHV-FUHWJXTLSA-N 1 0 402.495 2.636 20 0 HFADRO CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788820387 1077308222 /nfs/dbraw/zinc/30/82/22/1077308222.db2.gz OAHVDYSOJHNKKP-BDTNDASRSA-N 1 0 406.530 2.874 20 0 HFADRO CC(C)C[C@H](C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1)NC(=O)OC(C)(C)C ZINC000788847199 1077318373 /nfs/dbraw/zinc/31/83/73/1077318373.db2.gz SMPHPFRGBYPIKA-HXUWFJFHSA-N 1 0 424.630 2.802 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000791191179 1077319744 /nfs/dbraw/zinc/31/97/44/1077319744.db2.gz HWHOAMLXEZUWJC-LJQANCHMSA-N 1 0 408.564 2.813 20 0 HFADRO COC1CC[NH+](C2(CNS(=O)(=O)C3=Cc4ccccc4OC3)CCCC2)CC1 ZINC000788889150 1077332556 /nfs/dbraw/zinc/33/25/56/1077332556.db2.gz CVDLVGHJCFBQQT-UHFFFAOYSA-N 1 0 406.548 2.763 20 0 HFADRO Cc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(-n3ccnc3)cc2C)cc1 ZINC000791241884 1077341532 /nfs/dbraw/zinc/34/15/32/1077341532.db2.gz RZZPAGVVWPUCND-UHFFFAOYSA-N 1 0 413.499 2.901 20 0 HFADRO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[N@H+](C)Cc1ccccc1 ZINC000746774552 1077342341 /nfs/dbraw/zinc/34/23/41/1077342341.db2.gz QHUFSKGJWCVPOU-NVXWUHKLSA-N 1 0 414.472 2.702 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000788914642 1077351539 /nfs/dbraw/zinc/35/15/39/1077351539.db2.gz ZJAGNXWZUDIGLO-WDEREUQCSA-N 1 0 410.765 2.896 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccc1F ZINC000788915809 1077353631 /nfs/dbraw/zinc/35/36/31/1077353631.db2.gz KYMWUNKAKHLQIM-AUUYWEPGSA-N 1 0 408.495 2.890 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Cl)cc1Cl ZINC000788920008 1077356006 /nfs/dbraw/zinc/35/60/06/1077356006.db2.gz MZIHUBXVPQFTPH-NSHDSACASA-N 1 0 409.335 2.933 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000788961437 1077363909 /nfs/dbraw/zinc/36/39/09/1077363909.db2.gz XJAVACCLNUOFRD-IBGZPJMESA-N 1 0 421.582 2.594 20 0 HFADRO COc1ccc2nc(C[NH2+]CC3CCN(S(=O)(=O)C(F)(F)F)CC3)sc2c1 ZINC000788962919 1077364778 /nfs/dbraw/zinc/36/47/78/1077364778.db2.gz LFHMXYUMDIWWNL-UHFFFAOYSA-N 1 0 423.482 2.956 20 0 HFADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000788970960 1077366681 /nfs/dbraw/zinc/36/66/81/1077366681.db2.gz YCXOIURDLYSZBN-DOMZBBRYSA-N 1 0 422.410 2.836 20 0 HFADRO COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746776573 1077366962 /nfs/dbraw/zinc/36/69/62/1077366962.db2.gz GVDJTKZGYXFBFN-MOPGFXCFSA-N 1 0 421.925 2.993 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cc(N4CCOCC4)ccn3)nc3ccc(C)cc3n12 ZINC001170151977 1077371534 /nfs/dbraw/zinc/37/15/34/1077371534.db2.gz QUCPMWYYBXOUOE-UHFFFAOYSA-N 1 0 417.517 2.828 20 0 HFADRO COC(=O)[C@]1(NC(=O)C[C@H](O)c2cccc(F)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000772771938 1077372458 /nfs/dbraw/zinc/37/24/58/1077372458.db2.gz DOMYXTYTMLUSQT-REWPJTCUSA-N 1 0 414.477 2.573 20 0 HFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000788981855 1077373908 /nfs/dbraw/zinc/37/39/08/1077373908.db2.gz PPXSYCGGPUUBMQ-YLJYHZDGSA-N 1 0 415.559 2.976 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(S(N)(=O)=O)cc3)C2=O)c(C)c1 ZINC000788981832 1077373996 /nfs/dbraw/zinc/37/39/96/1077373996.db2.gz NBGJYDSGTRAYGN-QFBILLFUSA-N 1 0 401.532 2.715 20 0 HFADRO C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C)[NH+]1CCCCCC1 ZINC000791309618 1077381849 /nfs/dbraw/zinc/38/18/49/1077381849.db2.gz VLOUCTJPELDEOV-ZWKOTPCHSA-N 1 0 419.570 2.805 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1N1CCOC1=O ZINC000746781897 1077381984 /nfs/dbraw/zinc/38/19/84/1077381984.db2.gz NVHQFCDNGKJQDW-KRWDZBQOSA-N 1 0 416.522 2.661 20 0 HFADRO CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789036758 1077390282 /nfs/dbraw/zinc/39/02/82/1077390282.db2.gz RJJGMUXUPUKTPJ-NRFANRHFSA-N 1 0 410.518 2.892 20 0 HFADRO Cc1cc(-n2ccnc2)ccc1COC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000791369058 1077394878 /nfs/dbraw/zinc/39/48/78/1077394878.db2.gz VZNRRNRFHREQFA-UHFFFAOYSA-N 1 0 403.442 2.920 20 0 HFADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 ZINC000746788436 1077408484 /nfs/dbraw/zinc/40/84/84/1077408484.db2.gz RAOXFFFKZCETCE-UHFFFAOYSA-N 1 0 416.566 2.734 20 0 HFADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000746788125 1077411530 /nfs/dbraw/zinc/41/15/30/1077411530.db2.gz MDFVFSFYBJSNBY-UHFFFAOYSA-N 1 0 418.538 2.798 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000746788173 1077412330 /nfs/dbraw/zinc/41/23/30/1077412330.db2.gz NSQIQGMFHXVQIG-UHFFFAOYSA-N 1 0 403.523 2.961 20 0 HFADRO CCOC1CC(CC(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000789159791 1077437849 /nfs/dbraw/zinc/43/78/49/1077437849.db2.gz AEZZYJIETICPNX-UHFFFAOYSA-N 1 0 406.548 2.922 20 0 HFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3nc(Br)ccc3F)cc2)CC1 ZINC000791508324 1077448793 /nfs/dbraw/zinc/44/87/93/1077448793.db2.gz BYWDCCGWPHNZPP-UHFFFAOYSA-N 1 0 407.287 2.983 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1N1CCOC1=O ZINC000746790079 1077462800 /nfs/dbraw/zinc/46/28/00/1077462800.db2.gz RMKIQWHVVDFUEH-QRQCRPRQSA-N 1 0 416.522 2.517 20 0 HFADRO C[C@@H]1C[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@@H](C2CC2)O1 ZINC000791552560 1077475646 /nfs/dbraw/zinc/47/56/46/1077475646.db2.gz IFERVALRWJSLHT-SEVLPDGMSA-N 1 0 404.551 2.983 20 0 HFADRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000791564864 1077482112 /nfs/dbraw/zinc/48/21/12/1077482112.db2.gz AQKCFLWENQITQY-VYBIZCNCSA-N 1 0 407.923 2.975 20 0 HFADRO CC[NH+](CC)[C@H](C(=O)N1CCN[C@H](c2cnn(C)c2)C1)c1cccc(C(F)(F)F)c1 ZINC001170100472 1077489814 /nfs/dbraw/zinc/48/98/14/1077489814.db2.gz BJQFEISNUIEDDB-OALUTQOASA-N 1 0 423.483 2.995 20 0 HFADRO CC[NH+](CC)[C@H](C(=O)N1CCN[C@@H](c2cnn(C)c2)C1)c1cccc(C(F)(F)F)c1 ZINC001170100471 1077489852 /nfs/dbraw/zinc/48/98/52/1077489852.db2.gz BJQFEISNUIEDDB-MOPGFXCFSA-N 1 0 423.483 2.995 20 0 HFADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746796952 1077498385 /nfs/dbraw/zinc/49/83/85/1077498385.db2.gz QDRBOWVOIVBWON-UHFFFAOYSA-N 1 0 419.595 2.805 20 0 HFADRO Cc1cccc(N2C[C@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)c1C ZINC000791602448 1077500847 /nfs/dbraw/zinc/50/08/47/1077500847.db2.gz NCCKEHDNTFTOPV-HXUWFJFHSA-N 1 0 401.551 2.616 20 0 HFADRO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600353 1077506589 /nfs/dbraw/zinc/50/65/89/1077506589.db2.gz PANTZIPBMIVOGV-CJIGKZKRSA-N 1 0 419.525 2.598 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000789305438 1077507846 /nfs/dbraw/zinc/50/78/46/1077507846.db2.gz VVJBOBKJXJKEPI-QFIPXVFZSA-N 1 0 420.509 2.989 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000789305286 1077507869 /nfs/dbraw/zinc/50/78/69/1077507869.db2.gz XBUHUYZWEYACGJ-QFIPXVFZSA-N 1 0 420.509 2.943 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NC(=O)NC1CCCCC1 ZINC000789310762 1077509181 /nfs/dbraw/zinc/50/91/81/1077509181.db2.gz IAUVNHUTIFNSJS-UHFFFAOYSA-N 1 0 408.930 2.984 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000791654290 1077513038 /nfs/dbraw/zinc/51/30/38/1077513038.db2.gz ICUFIHNOPCHNHD-GUDVDZBRSA-N 1 0 418.538 2.681 20 0 HFADRO Cc1cc(C)c(N2CC[C@H]([NH+]3CCC(CNC(=O)c4cnn(C)c4)CC3)C2=O)c(C)c1 ZINC000789327033 1077520856 /nfs/dbraw/zinc/52/08/56/1077520856.db2.gz PFQYULJBRWDMDF-NRFANRHFSA-N 1 0 423.561 2.593 20 0 HFADRO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000791710171 1077522444 /nfs/dbraw/zinc/52/24/44/1077522444.db2.gz IIGBCDXECGUCPP-INIZCTEOSA-N 1 0 405.543 2.863 20 0 HFADRO COc1nc(Br)ccc1NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000789384291 1077531476 /nfs/dbraw/zinc/53/14/76/1077531476.db2.gz KNFVEHGMKCUYQH-UHFFFAOYSA-N 1 0 415.332 2.864 20 0 HFADRO COCC(=O)Nc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791737252 1077544510 /nfs/dbraw/zinc/54/45/10/1077544510.db2.gz XVEODGUMBVIPIB-KDURUIRLSA-N 1 0 408.502 2.867 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000789377103 1077545459 /nfs/dbraw/zinc/54/54/59/1077545459.db2.gz GORBKYMILLXJDE-UHFFFAOYSA-N 1 0 414.575 2.983 20 0 HFADRO COc1ccc(C2(C(=O)OCCCN3CC[NH+](C(C)C)CC3)CCOCC2)cc1 ZINC000791776724 1077549366 /nfs/dbraw/zinc/54/93/66/1077549366.db2.gz IXKSYXQPXVVHKX-UHFFFAOYSA-N 1 0 404.551 2.703 20 0 HFADRO Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000789405122 1077561778 /nfs/dbraw/zinc/56/17/78/1077561778.db2.gz RVUKLXPWYANSLA-UHFFFAOYSA-O 1 0 424.506 2.896 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000791827728 1077576290 /nfs/dbraw/zinc/57/62/90/1077576290.db2.gz ICTIVUZSPNQUNC-AWEZNQCLSA-N 1 0 414.499 2.996 20 0 HFADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791829043 1077576531 /nfs/dbraw/zinc/57/65/31/1077576531.db2.gz UNDOYMZDJBKOOM-XORWPDPZSA-N 1 0 401.576 2.883 20 0 HFADRO CCOC(=O)C1(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000791834066 1077578339 /nfs/dbraw/zinc/57/83/39/1077578339.db2.gz ZSDQEVOYTOBCJM-UHFFFAOYSA-N 1 0 401.551 2.829 20 0 HFADRO COc1ccccc1-c1nn(C)cc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791931879 1077598261 /nfs/dbraw/zinc/59/82/61/1077598261.db2.gz QUJOQMCUEATQAN-UHFFFAOYSA-N 1 0 400.523 2.669 20 0 HFADRO O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791939509 1077599705 /nfs/dbraw/zinc/59/97/05/1077599705.db2.gz MNTZEORPQJWGDV-SLFFLAALSA-N 1 0 407.489 2.769 20 0 HFADRO Brc1ccc(C[NH+]2CCC(C3OCCO3)CC2)c(N2CCOCC2)c1 ZINC000789506960 1077600019 /nfs/dbraw/zinc/60/00/19/1077600019.db2.gz NPRIZASNRGYHBJ-UHFFFAOYSA-N 1 0 411.340 2.871 20 0 HFADRO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@]3(CO)CC(C)C)CC2)c(F)c1 ZINC000789512693 1077605320 /nfs/dbraw/zinc/60/53/20/1077605320.db2.gz AZTIWIVLBLRVKP-HSZRJFAPSA-N 1 0 419.541 2.550 20 0 HFADRO C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922703 1077612472 /nfs/dbraw/zinc/61/24/72/1077612472.db2.gz USMUKQFXFQWBCG-UGSOOPFHSA-N 1 0 408.428 2.640 20 0 HFADRO O=C(CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000791974332 1077616351 /nfs/dbraw/zinc/61/63/51/1077616351.db2.gz TVXJDUPYLPVDDW-MRXNPFEDSA-N 1 0 402.445 2.725 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCn1c2ccccc2n(C)c1=O ZINC000791975178 1077617265 /nfs/dbraw/zinc/61/72/65/1077617265.db2.gz ONXJSWKILXZQPA-ICSRJNTNSA-N 1 0 404.514 2.873 20 0 HFADRO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)[C@@H]3CCN(Cc4ccccc4)C3=O)c2cc1C ZINC000789523404 1077619742 /nfs/dbraw/zinc/61/97/42/1077619742.db2.gz YTWCGOWUOKKKFM-RBBKRZOGSA-N 1 0 406.530 2.747 20 0 HFADRO O=c1oc2cc(I)ccc2n1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000789538362 1077633545 /nfs/dbraw/zinc/63/35/45/1077633545.db2.gz AGBRTCMJUJSHBF-INIZCTEOSA-N 1 0 414.243 2.659 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2)c1 ZINC000792059139 1077666071 /nfs/dbraw/zinc/66/60/71/1077666071.db2.gz XINRGIFVCXADBY-QYWGDWMGSA-N 1 0 403.523 2.681 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000746830273 1077673941 /nfs/dbraw/zinc/67/39/41/1077673941.db2.gz ZEATXAZMKVGZFF-SFHVURJKSA-N 1 0 418.582 2.553 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074548 1077681485 /nfs/dbraw/zinc/68/14/85/1077681485.db2.gz JDDTZNWXFLLLKV-XJIUQZFPSA-N 1 0 412.303 2.607 20 0 HFADRO CCOC(=O)N[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(C)C ZINC000792032951 1077685693 /nfs/dbraw/zinc/68/56/93/1077685693.db2.gz MNTZPZFOOPFTGQ-QHAWAJNXSA-N 1 0 416.566 2.921 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](c3ccsc3)[NH+](C)C)C2)c1 ZINC000792049125 1077694047 /nfs/dbraw/zinc/69/40/47/1077694047.db2.gz CDMZSVNJNMYSKN-IEBWSBKVSA-N 1 0 403.504 2.677 20 0 HFADRO C[N@H+](CCOc1cccc(CNC(=O)c2ccnc(F)c2F)c1)C1CCOCC1 ZINC000792128176 1077716100 /nfs/dbraw/zinc/71/61/00/1077716100.db2.gz IFBVSLOMQIDKJA-UHFFFAOYSA-N 1 0 405.445 2.779 20 0 HFADRO Cc1nccc(NCc2cccc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)c2)n1 ZINC000792135997 1077719052 /nfs/dbraw/zinc/71/90/52/1077719052.db2.gz SOYIQTXPASQTIS-UHFFFAOYSA-N 1 0 411.550 2.970 20 0 HFADRO O=C(N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)C1(O)CCCCC1 ZINC001157460257 1077720581 /nfs/dbraw/zinc/72/05/81/1077720581.db2.gz MIEZIQGPJKUUCO-FQEVSTJZSA-N 1 0 421.532 2.736 20 0 HFADRO COc1ccc(S(C)(=O)=O)cc1COC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000789685861 1077726565 /nfs/dbraw/zinc/72/65/65/1077726565.db2.gz PKBLUSILYZRJIN-UHFFFAOYSA-N 1 0 418.515 2.762 20 0 HFADRO CCC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H](O)c1ccccc1 ZINC000792165810 1077732302 /nfs/dbraw/zinc/73/23/02/1077732302.db2.gz UMAUXGUNFNDRBI-RJGXRXQPSA-N 1 0 411.546 2.955 20 0 HFADRO O=C(NCc1ccc(N2CCOC2=O)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792164987 1077732318 /nfs/dbraw/zinc/73/23/18/1077732318.db2.gz XXKRAOPMRJXADZ-OYRHEFFESA-N 1 0 420.513 2.917 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000792170047 1077733372 /nfs/dbraw/zinc/73/33/72/1077733372.db2.gz CPYLVMDCUNBKLC-AEFFLSMTSA-N 1 0 409.324 2.512 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000792173876 1077734262 /nfs/dbraw/zinc/73/42/62/1077734262.db2.gz YSBVJLYIXFHQDU-LJQANCHMSA-N 1 0 418.538 2.731 20 0 HFADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792181451 1077737056 /nfs/dbraw/zinc/73/70/56/1077737056.db2.gz ZVMURGPVUWRBOQ-SXLOBPIMSA-N 1 0 402.539 2.675 20 0 HFADRO C[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000792182889 1077737238 /nfs/dbraw/zinc/73/72/38/1077737238.db2.gz ZOHUYTYRZHAAMN-MRXNPFEDSA-N 1 0 419.957 2.837 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000789679049 1077738854 /nfs/dbraw/zinc/73/88/54/1077738854.db2.gz XLPQCISCQIVMLJ-CQSZACIVSA-N 1 0 401.898 2.719 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000746850001 1077747503 /nfs/dbraw/zinc/74/75/03/1077747503.db2.gz YKWKTCLVHOGCOC-KFLIGKCHSA-N 1 0 405.564 2.935 20 0 HFADRO Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)c1C ZINC000792234926 1077756787 /nfs/dbraw/zinc/75/67/87/1077756787.db2.gz HSTWJANLCUJEJH-CYBMUJFWSA-N 1 0 403.914 2.682 20 0 HFADRO COc1ccc(CCC(=O)N2CCC[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000792215326 1077768825 /nfs/dbraw/zinc/76/88/25/1077768825.db2.gz OCARPPSJAAPORU-HXUWFJFHSA-N 1 0 400.519 2.648 20 0 HFADRO Cc1nc2ccc(Br)cn2c1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000792283002 1077774259 /nfs/dbraw/zinc/77/42/59/1077774259.db2.gz ZJXCNWSAVSDWOH-UHFFFAOYSA-N 1 0 423.355 2.978 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)C2)c1 ZINC000792284768 1077775101 /nfs/dbraw/zinc/77/51/01/1077775101.db2.gz JESMGHCHFPSLNP-YUXAGFNASA-N 1 0 409.486 2.758 20 0 HFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nc(Br)ccc1F ZINC000792285682 1077775617 /nfs/dbraw/zinc/77/56/17/1077775617.db2.gz OECXVFGNIROMHK-HOCLYGCPSA-N 1 0 422.298 2.596 20 0 HFADRO C[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000792265153 1077786944 /nfs/dbraw/zinc/78/69/44/1077786944.db2.gz WNVCLYKBIUJBIT-YTQUADARSA-N 1 0 402.539 2.673 20 0 HFADRO Cn1ccc(CC(=O)OC2CC[NH+](CCOc3cccc(Br)c3)CC2)n1 ZINC000789793127 1077799784 /nfs/dbraw/zinc/79/97/84/1077799784.db2.gz DTDQUALMGSXZSU-UHFFFAOYSA-N 1 0 422.323 2.812 20 0 HFADRO CCC1([NH+](C)C)CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 ZINC001170165296 1077811703 /nfs/dbraw/zinc/81/17/03/1077811703.db2.gz RWSISYYVYKHHQM-NRFANRHFSA-N 1 0 408.546 2.756 20 0 HFADRO C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000792336971 1077824754 /nfs/dbraw/zinc/82/47/54/1077824754.db2.gz YKZPKDIYRVLMSK-WIYYLYMNSA-N 1 0 418.582 2.737 20 0 HFADRO Cc1cc(NC(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cnc1Cl ZINC000792401636 1077836101 /nfs/dbraw/zinc/83/61/01/1077836101.db2.gz ZTSBQYJYEUBMHV-UHFFFAOYSA-N 1 0 418.847 2.903 20 0 HFADRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000772795480 1077848295 /nfs/dbraw/zinc/84/82/95/1077848295.db2.gz NEKGLHRAYAJNBX-UHFFFAOYSA-N 1 0 405.539 2.928 20 0 HFADRO COCC[N@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CC[C@@H](C)C1 ZINC000792461987 1077858587 /nfs/dbraw/zinc/85/85/87/1077858587.db2.gz BKSOSQRPAODVCJ-XLIONFOSSA-N 1 0 419.541 2.814 20 0 HFADRO C[C@@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000792462006 1077858617 /nfs/dbraw/zinc/85/86/17/1077858617.db2.gz BMTDYFVRMQOCND-MRXNPFEDSA-N 1 0 404.580 2.510 20 0 HFADRO C[C@@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000792462694 1077858936 /nfs/dbraw/zinc/85/89/36/1077858936.db2.gz FPIKQNUTNGJVQA-MRXNPFEDSA-N 1 0 404.580 2.510 20 0 HFADRO C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCC(=O)OC(C)(C)C)C1 ZINC001170122439 1077859106 /nfs/dbraw/zinc/85/91/06/1077859106.db2.gz QVHFZKPDTWENEF-OALUTQOASA-N 1 0 403.560 2.563 20 0 HFADRO CN(C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000789942909 1077861997 /nfs/dbraw/zinc/86/19/97/1077861997.db2.gz UZPLBHARVACNGB-OAQYLSRUSA-N 1 0 418.559 2.808 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)=NO1 ZINC000789953085 1077866703 /nfs/dbraw/zinc/86/67/03/1077866703.db2.gz MDHCWELNSLXHKL-SFHVURJKSA-N 1 0 416.522 2.568 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000792499037 1077867991 /nfs/dbraw/zinc/86/79/91/1077867991.db2.gz SWJJKYDMVGHKIS-FQEVSTJZSA-N 1 0 406.530 2.572 20 0 HFADRO CC[C@@]1(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000772797364 1077873284 /nfs/dbraw/zinc/87/32/84/1077873284.db2.gz FKTVPJBTYIMSIG-AVRDEDQJSA-N 1 0 409.571 2.879 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000789972834 1077902445 /nfs/dbraw/zinc/90/24/45/1077902445.db2.gz IXHLILUSCKWBMI-OAHLLOKOSA-N 1 0 408.568 2.911 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000790031158 1077903626 /nfs/dbraw/zinc/90/36/26/1077903626.db2.gz FHYUWJQBHBMCJT-VQTJNVASSA-N 1 0 414.594 2.572 20 0 HFADRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2ccc(N3CC[NH2+]CC3)nc2)OC(C)(C)O1 ZINC001170211302 1077908282 /nfs/dbraw/zinc/90/82/82/1077908282.db2.gz VSIJLCXQVDTOIF-MSOLQXFVSA-N 1 0 420.554 2.545 20 0 HFADRO CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001170218798 1077909952 /nfs/dbraw/zinc/90/99/52/1077909952.db2.gz VKLLCOSDTGJXME-CTNGQTDRSA-N 1 0 403.567 2.839 20 0 HFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc1 ZINC000746870845 1077917291 /nfs/dbraw/zinc/91/72/91/1077917291.db2.gz GHAVTPLCMBUECP-UHFFFAOYSA-N 1 0 421.954 2.940 20 0 HFADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792574226 1077918874 /nfs/dbraw/zinc/91/88/74/1077918874.db2.gz ZOKIUKLOMKPKGP-UHFFFAOYSA-N 1 0 401.444 2.985 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(Cl)c(F)cc2C(=O)Nc2cccnc2)O1 ZINC001170272746 1077925874 /nfs/dbraw/zinc/92/58/74/1077925874.db2.gz LHGFPSHOYYQXKX-CLCXKQKWSA-N 1 0 423.876 2.658 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049429 1077929613 /nfs/dbraw/zinc/92/96/13/1077929613.db2.gz GIGXZOJELFBBQI-VQTJNVASSA-N 1 0 414.594 2.572 20 0 HFADRO C[NH+](C)CCOc1cc(C(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)ccn1 ZINC000792600896 1077930227 /nfs/dbraw/zinc/93/02/27/1077930227.db2.gz NXNVZBCUDZKAMM-HXUWFJFHSA-N 1 0 411.502 2.760 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000790051405 1077931561 /nfs/dbraw/zinc/93/15/61/1077931561.db2.gz PCQLMJLPQVFIBM-IAGOWNOFSA-N 1 0 411.568 2.862 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000790053297 1077932871 /nfs/dbraw/zinc/93/28/71/1077932871.db2.gz MRADXIBOVBNEMO-FQEVSTJZSA-N 1 0 414.594 2.572 20 0 HFADRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)N1CCc2ccccc21 ZINC000746875251 1077933521 /nfs/dbraw/zinc/93/35/21/1077933521.db2.gz DJJGEYUONFEOLZ-QGZVFWFLSA-N 1 0 406.530 2.774 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)C1 ZINC001170280832 1077936505 /nfs/dbraw/zinc/93/65/05/1077936505.db2.gz SOBZCAFAOXGTOL-HRCADAONSA-N 1 0 419.488 2.976 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)C1 ZINC001170280833 1077936580 /nfs/dbraw/zinc/93/65/80/1077936580.db2.gz SOBZCAFAOXGTOL-JYJNAYRXSA-N 1 0 419.488 2.976 20 0 HFADRO C[C@H](Cc1ccccc1Cl)n1nncc1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001170286099 1077938018 /nfs/dbraw/zinc/93/80/18/1077938018.db2.gz WWRALBJQSPRYAR-UTKZUKDTSA-N 1 0 403.958 2.937 20 0 HFADRO COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001170320916 1077942633 /nfs/dbraw/zinc/94/26/33/1077942633.db2.gz PZRWIFKJAOCLDF-UAGQMJEPSA-N 1 0 416.440 2.783 20 0 HFADRO COC(=O)N1CCC(C(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)CC1 ZINC001170321541 1077943048 /nfs/dbraw/zinc/94/30/48/1077943048.db2.gz UTVNHPWKVDXCNG-INIZCTEOSA-N 1 0 401.429 2.903 20 0 HFADRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(CN2C(=O)c3ccccc3C2=O)n1 ZINC001170324384 1077943531 /nfs/dbraw/zinc/94/35/31/1077943531.db2.gz PGZSHEZTYSDGSR-SJORKVTESA-N 1 0 413.499 2.761 20 0 HFADRO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001170334266 1077946350 /nfs/dbraw/zinc/94/63/50/1077946350.db2.gz YZCJPTRPUGGOQF-VQTJNVASSA-N 1 0 423.557 2.932 20 0 HFADRO CC(C)C[NH2+]C1(CO)CCN([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC001170364473 1077950810 /nfs/dbraw/zinc/95/08/10/1077950810.db2.gz GAPDFZJDHWDMLB-QGZVFWFLSA-N 1 0 418.607 2.716 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC001170365543 1077950867 /nfs/dbraw/zinc/95/08/67/1077950867.db2.gz OIQCUHQOOFDBCD-QYZOEREBSA-N 1 0 403.523 2.607 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(-n3ccnc3)nc2)c1 ZINC000790133551 1077952943 /nfs/dbraw/zinc/95/29/43/1077952943.db2.gz CMQNEJZDPFZYJG-UHFFFAOYSA-N 1 0 408.506 2.549 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000790141024 1077955339 /nfs/dbraw/zinc/95/53/39/1077955339.db2.gz ZOFYUYDCRFLTJT-OAHLLOKOSA-N 1 0 424.383 2.834 20 0 HFADRO CCOC(=O)c1cnn(C)c1NC(=O)C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC001170384955 1077956771 /nfs/dbraw/zinc/95/67/71/1077956771.db2.gz DWFONVOMGISBAI-ROUUACIJSA-N 1 0 414.506 2.509 20 0 HFADRO COc1ccc([C@@H](CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)[NH+]2CCCCC2)cc1 ZINC000790125520 1077959290 /nfs/dbraw/zinc/95/92/90/1077959290.db2.gz UXGUSQASHCYQLA-YADHBBJMSA-N 1 0 408.502 2.927 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000790156464 1077960924 /nfs/dbraw/zinc/96/09/24/1077960924.db2.gz ALEFNUMULAQJJR-DENIHFKCSA-N 1 0 413.566 2.880 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001170403439 1077965751 /nfs/dbraw/zinc/96/57/51/1077965751.db2.gz BAEUYVBAHWAPNX-NRFANRHFSA-N 1 0 413.493 2.975 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001170412624 1077967053 /nfs/dbraw/zinc/96/70/53/1077967053.db2.gz RCTMFMNBSUSHTI-ZACQAIPSSA-N 1 0 420.506 2.877 20 0 HFADRO C[C@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792718777 1077973868 /nfs/dbraw/zinc/97/38/68/1077973868.db2.gz QAJLVHVWMFDBCL-KXBFYZLASA-N 1 0 401.894 2.600 20 0 HFADRO CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000790244618 1077975381 /nfs/dbraw/zinc/97/53/81/1077975381.db2.gz WJBXMPHXNYAZCW-GOSISDBHSA-N 1 0 419.503 2.506 20 0 HFADRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1[C@H]1CCN(C2CCOCC2)C1=O ZINC000790319414 1077996676 /nfs/dbraw/zinc/99/66/76/1077996676.db2.gz NZWABAKZDBMWFL-OFAXGOBFSA-N 1 0 414.594 2.702 20 0 HFADRO O=C(NCCNc1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc(Cl)cn1 ZINC001170420211 1077998718 /nfs/dbraw/zinc/99/87/18/1077998718.db2.gz ANSFNFQTSCROHP-TZIWHRDSSA-N 1 0 400.910 2.597 20 0 HFADRO C[NH+](C)C1(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CCCCC1 ZINC000792816754 1078003805 /nfs/dbraw/zinc/00/38/05/1078003805.db2.gz OPJWTSGXSYDXEI-WOJBJXKFSA-N 1 0 424.545 2.959 20 0 HFADRO O=C1O[C@]2(CN1CN1CCO[C@@H](c3ccc(F)c(Cl)c3)C1)C[NH+]1CCC2CC1 ZINC000790362107 1078004266 /nfs/dbraw/zinc/00/42/66/1078004266.db2.gz JYBNNLUVFCAHKZ-QUCCMNQESA-N 1 0 409.889 2.727 20 0 HFADRO COc1cc(CN(C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)ccc1OC(F)F ZINC000790360176 1078004304 /nfs/dbraw/zinc/00/43/04/1078004304.db2.gz DPEBPAAPJPJZOB-HXUWFJFHSA-N 1 0 411.449 2.603 20 0 HFADRO O=C1O[C@]2(CN1CN1CCc3cccc(Br)c3C1)C[NH+]1CCC2CC1 ZINC000790363863 1078005045 /nfs/dbraw/zinc/00/50/45/1078005045.db2.gz VUVJQHVNRANCCH-IBGZPJMESA-N 1 0 406.324 2.681 20 0 HFADRO CCOc1cc2c(cc1OCC)CN(CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)CC2 ZINC000790365140 1078005627 /nfs/dbraw/zinc/00/56/27/1078005627.db2.gz DCEWLHDIUDGWGW-HSZRJFAPSA-N 1 0 415.534 2.716 20 0 HFADRO C[C@H]1COCCN1c1ccc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000792824181 1078006115 /nfs/dbraw/zinc/00/61/15/1078006115.db2.gz CLLIQBATGDYCSE-IBGZPJMESA-N 1 0 408.546 2.911 20 0 HFADRO CSCCONC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000792828022 1078006787 /nfs/dbraw/zinc/00/67/87/1078006787.db2.gz GCCMOYAEGQKSCM-UHFFFAOYSA-N 1 0 420.501 2.811 20 0 HFADRO COc1ncc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000792862039 1078010601 /nfs/dbraw/zinc/01/06/01/1078010601.db2.gz PSUXQOYYVQKXSO-WMLDXEAASA-N 1 0 417.893 2.680 20 0 HFADRO CN(Cc1ccc(F)cc1Br)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790384364 1078011048 /nfs/dbraw/zinc/01/10/48/1078011048.db2.gz HBZRBDLIYRBGDB-SFHVURJKSA-N 1 0 412.303 2.894 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2nnc(-c3ccccc3)[nH]2)c1 ZINC000790386365 1078011803 /nfs/dbraw/zinc/01/18/03/1078011803.db2.gz MVYNMYJJXSXGBL-UHFFFAOYSA-N 1 0 408.506 2.754 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000792853212 1078015035 /nfs/dbraw/zinc/01/50/35/1078015035.db2.gz FBPZUFSDILCSTI-QGZVFWFLSA-N 1 0 423.517 2.810 20 0 HFADRO Cn1c2ccc(CNc3ccc(OCCN4CC[NH+](C)CC4)cc3)cc2sc1=O ZINC000792854005 1078015191 /nfs/dbraw/zinc/01/51/91/1078015191.db2.gz IHELYKQMUHZOCI-UHFFFAOYSA-N 1 0 412.559 2.838 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCC(Oc3ccc(F)cc3F)CC1)C[NH+]1CCC2CC1 ZINC000790369028 1078015974 /nfs/dbraw/zinc/01/59/74/1078015974.db2.gz OHIHSARFKPOJDC-OAQYLSRUSA-N 1 0 407.461 2.682 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@H]1CCCS(=O)(=O)C1)CC2 ZINC000792879999 1078016209 /nfs/dbraw/zinc/01/62/09/1078016209.db2.gz NKXYEJYEYXKFEE-QGZVFWFLSA-N 1 0 400.585 2.924 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@@H]1CCCS(=O)(=O)C1)CC2 ZINC000792879998 1078016303 /nfs/dbraw/zinc/01/63/03/1078016303.db2.gz NKXYEJYEYXKFEE-KRWDZBQOSA-N 1 0 400.585 2.924 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cn1 ZINC000790424178 1078022887 /nfs/dbraw/zinc/02/28/87/1078022887.db2.gz KJHAWWPAXSLOKO-MTNREXPMSA-N 1 0 411.550 2.631 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000792945129 1078023262 /nfs/dbraw/zinc/02/32/62/1078023262.db2.gz VIYJYFMETMCMMY-MRXNPFEDSA-N 1 0 404.511 2.655 20 0 HFADRO COCC1(C(=O)N(C)C2CC[NH+](C(C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000792932389 1078028153 /nfs/dbraw/zinc/02/81/53/1078028153.db2.gz QRJAOYLWWSAYJA-UHFFFAOYSA-N 1 0 411.587 2.981 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000792971044 1078029612 /nfs/dbraw/zinc/02/96/12/1078029612.db2.gz YYNFCBHDCRKGFF-UHFFFAOYSA-N 1 0 412.387 2.768 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000792979610 1078031360 /nfs/dbraw/zinc/03/13/60/1078031360.db2.gz FOEIRMQAUBABPZ-OAHLLOKOSA-N 1 0 423.355 2.897 20 0 HFADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)Nc1cccc(Br)n1 ZINC000792947906 1078032374 /nfs/dbraw/zinc/03/23/74/1078032374.db2.gz GWZVJGOCNFESCS-UHFFFAOYSA-N 1 0 417.307 2.695 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000747093852 1078033060 /nfs/dbraw/zinc/03/30/60/1078033060.db2.gz BFOPAHPARJZINV-XLIONFOSSA-N 1 0 412.490 2.869 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000747093851 1078033109 /nfs/dbraw/zinc/03/31/09/1078033109.db2.gz BFOPAHPARJZINV-PXNSSMCTSA-N 1 0 412.490 2.869 20 0 HFADRO COc1cc[nH+]c(N2CCN(C(=O)c3cnc(Br)c(Cl)c3)CC2)c1 ZINC000790450072 1078035179 /nfs/dbraw/zinc/03/51/79/1078035179.db2.gz KDZXGNUGWPFZCR-UHFFFAOYSA-N 1 0 411.687 2.864 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000747094675 1078035657 /nfs/dbraw/zinc/03/56/57/1078035657.db2.gz FCSBVPDTBVZQQO-PXNSSMCTSA-N 1 0 412.490 2.869 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Br)n2)[NH+](C)C)cc1 ZINC000792969238 1078038790 /nfs/dbraw/zinc/03/87/90/1078038790.db2.gz PGDOEFFGXCGOCW-CQSZACIVSA-N 1 0 405.296 2.510 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000792986580 1078041147 /nfs/dbraw/zinc/04/11/47/1078041147.db2.gz QNOFTBAQKSHAER-INIZCTEOSA-N 1 0 413.559 2.738 20 0 HFADRO C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)Nc3ccccc3)CC2)C1 ZINC001170137238 1078041518 /nfs/dbraw/zinc/04/15/18/1078041518.db2.gz NIMQLMWMEVVTQC-KMQSCTNJSA-N 1 0 419.591 2.930 20 0 HFADRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000790486390 1078042583 /nfs/dbraw/zinc/04/25/83/1078042583.db2.gz ADVSLWUZOXHCPU-RBUKOAKNSA-N 1 0 405.587 2.979 20 0 HFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000806254229 1079522265 /nfs/dbraw/zinc/52/22/65/1079522265.db2.gz RENBSQAUMFBGRT-SFTDATJTSA-N 1 0 421.557 2.724 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1 ZINC000806299462 1079551886 /nfs/dbraw/zinc/55/18/86/1079551886.db2.gz CLFYSJAOSQHTMJ-VQTJNVASSA-N 1 0 415.534 2.902 20 0 HFADRO CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21)[NH+]1CCCC1 ZINC000806302969 1079554765 /nfs/dbraw/zinc/55/47/65/1079554765.db2.gz JDXBOSJSSWBYTL-UXHICEINSA-N 1 0 417.598 2.974 20 0 HFADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806302625 1079555786 /nfs/dbraw/zinc/55/57/86/1079555786.db2.gz GZZJAWNMELFLRC-FQEVSTJZSA-N 1 0 417.598 2.832 20 0 HFADRO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000806306753 1079557934 /nfs/dbraw/zinc/55/79/34/1079557934.db2.gz HFKARPNIGBSZLN-ROUUACIJSA-N 1 0 420.558 2.700 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000806307675 1079559730 /nfs/dbraw/zinc/55/97/30/1079559730.db2.gz SNSLTGZJVLRDBO-MJGOQNOKSA-N 1 0 418.538 2.752 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000806307323 1079560297 /nfs/dbraw/zinc/56/02/97/1079560297.db2.gz BUEZZCWJIRERSC-UXHICEINSA-N 1 0 404.555 2.860 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000806308398 1079562466 /nfs/dbraw/zinc/56/24/66/1079562466.db2.gz SVUHGKHOVYLACE-ICSRJNTNSA-N 1 0 420.554 2.998 20 0 HFADRO COc1cccc([C@H](CNC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)[NH+](C)C)c1 ZINC000806308554 1079562519 /nfs/dbraw/zinc/56/25/19/1079562519.db2.gz VBWRSKQJDWHJLL-MJGOQNOKSA-N 1 0 406.527 2.560 20 0 HFADRO C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806289204 1079573311 /nfs/dbraw/zinc/57/33/11/1079573311.db2.gz HPDVMQVNNDFHLR-OTRWWLKZSA-N 1 0 414.472 2.776 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000806294182 1079581336 /nfs/dbraw/zinc/58/13/36/1079581336.db2.gz BWQCSPSBZUFDPK-KBXCAEBGSA-N 1 0 417.428 2.944 20 0 HFADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747324656 1079592393 /nfs/dbraw/zinc/59/23/93/1079592393.db2.gz CTNUNOQEFICEAY-MOPGFXCFSA-N 1 0 402.926 2.664 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000806327741 1079600029 /nfs/dbraw/zinc/60/00/29/1079600029.db2.gz GHVUVEPWOPXJJH-DZGCQCFKSA-N 1 0 401.429 2.753 20 0 HFADRO Cc1cc(NC(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)n(C2CC[NH+](C)CC2)n1 ZINC000806334904 1079605650 /nfs/dbraw/zinc/60/56/50/1079605650.db2.gz XIPALCMLURKBMS-UHFFFAOYSA-N 1 0 410.522 2.647 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2)cc1 ZINC000806391937 1079642063 /nfs/dbraw/zinc/64/20/63/1079642063.db2.gz WVLKJFSGRXQOPY-AZUAARDMSA-N 1 0 402.583 2.563 20 0 HFADRO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000747326495 1079645069 /nfs/dbraw/zinc/64/50/69/1079645069.db2.gz SDXCCDKAFOYSEN-SJORKVTESA-N 1 0 410.449 2.930 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)CCC2 ZINC000806426190 1079671348 /nfs/dbraw/zinc/67/13/48/1079671348.db2.gz YSKLBZICOMLMFC-PKOBYXMFSA-N 1 0 412.559 2.726 20 0 HFADRO C[C@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806450902 1079721542 /nfs/dbraw/zinc/72/15/42/1079721542.db2.gz ALYPCKXISYIKJH-KRWDZBQOSA-N 1 0 416.566 2.876 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCSC(F)(F)F ZINC000806453619 1079724098 /nfs/dbraw/zinc/72/40/98/1079724098.db2.gz BDACLZNCEGBBLZ-UHFFFAOYSA-N 1 0 404.502 2.699 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccnc1-2 ZINC000806490762 1079742020 /nfs/dbraw/zinc/74/20/20/1079742020.db2.gz LXLIWIYYMDCNCH-YSIASYRMSA-N 1 0 404.518 2.764 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000806497158 1079747911 /nfs/dbraw/zinc/74/79/11/1079747911.db2.gz BLITZBWGLAJGCC-VQTJNVASSA-N 1 0 404.555 2.858 20 0 HFADRO CN(CC1C[NH+](C)C1)C(=O)c1cccc(Br)c1I ZINC001130650582 1079749564 /nfs/dbraw/zinc/74/95/64/1079749564.db2.gz AQAYDSRTEOJQEV-UHFFFAOYSA-N 1 0 423.092 2.687 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000806478668 1079764577 /nfs/dbraw/zinc/76/45/77/1079764577.db2.gz WOQVORVRRYFLCF-QGZVFWFLSA-N 1 0 418.582 2.843 20 0 HFADRO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NCCCCCCC[NH+](C)C)C2 ZINC000806541834 1079780304 /nfs/dbraw/zinc/78/03/04/1079780304.db2.gz MMADXBIIXIVYJK-UHFFFAOYSA-N 1 0 424.611 2.517 20 0 HFADRO C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)c1ccc[nH]1 ZINC000806527447 1079801492 /nfs/dbraw/zinc/80/14/92/1079801492.db2.gz YSHOEXZSWOUVPR-CQSZACIVSA-N 1 0 410.440 2.801 20 0 HFADRO C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc[nH]1 ZINC000806528055 1079801849 /nfs/dbraw/zinc/80/18/49/1079801849.db2.gz VDWKKRIDECVFLK-YEWDVWPNSA-N 1 0 406.889 2.794 20 0 HFADRO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000806593577 1079836587 /nfs/dbraw/zinc/83/65/87/1079836587.db2.gz KEZROKGUPYYXEO-KRWDZBQOSA-N 1 0 414.937 2.517 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000806653351 1079871223 /nfs/dbraw/zinc/87/12/23/1079871223.db2.gz CCJXZKRWHWPXOI-DZKIICNBSA-N 1 0 406.493 2.595 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2cccc(F)c2Sc2ccccc2)CC1=O ZINC001130707295 1079877832 /nfs/dbraw/zinc/87/78/32/1079877832.db2.gz QJOYEVRQVFLAQI-UHFFFAOYSA-N 1 0 401.507 2.823 20 0 HFADRO CC(C)[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000806625614 1079882534 /nfs/dbraw/zinc/88/25/34/1079882534.db2.gz IHUDCUUOVVDEJG-IBGZPJMESA-N 1 0 413.536 2.501 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000806639443 1079896103 /nfs/dbraw/zinc/89/61/03/1079896103.db2.gz OBHPLLAVLYTYES-DLBZAZTESA-N 1 0 408.568 2.880 20 0 HFADRO O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747343734 1079909371 /nfs/dbraw/zinc/90/93/71/1079909371.db2.gz RVWIVOJZTNNQSW-IAGOWNOFSA-N 1 0 404.898 2.692 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806727744 1079952431 /nfs/dbraw/zinc/95/24/31/1079952431.db2.gz BXKOXKYPVGBSTG-LJQANCHMSA-N 1 0 423.557 2.653 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000806730525 1079955147 /nfs/dbraw/zinc/95/51/47/1079955147.db2.gz UCQXUMCSONHIQB-UHFFFAOYSA-N 1 0 415.578 2.693 20 0 HFADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCc3ccc(C(C)(C)O)cc3)CC2)CC1 ZINC000806729928 1079956329 /nfs/dbraw/zinc/95/63/29/1079956329.db2.gz ZSISUGGNCRGLDJ-UHFFFAOYSA-N 1 0 415.578 2.690 20 0 HFADRO CC(C)C(=O)Nc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC001130733708 1079973005 /nfs/dbraw/zinc/97/30/05/1079973005.db2.gz WZWXWPGNNNCMDM-LEWJYISDSA-N 1 0 422.529 2.792 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc2ncc(I)n2c1 ZINC001130730339 1080000995 /nfs/dbraw/zinc/00/09/95/1080000995.db2.gz MGUHJRWLPKWFPF-UHFFFAOYSA-N 1 0 414.291 2.647 20 0 HFADRO CCOC1CC2(C[C@H]2C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)C1 ZINC001130742496 1080006605 /nfs/dbraw/zinc/00/66/05/1080006605.db2.gz ZZCQGRYXEGFGOA-QKDPSFTKSA-N 1 0 401.551 2.847 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000806786052 1080008823 /nfs/dbraw/zinc/00/88/23/1080008823.db2.gz GRIXVSRTMNYXBL-IBGZPJMESA-N 1 0 418.538 2.581 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806788161 1080010158 /nfs/dbraw/zinc/01/01/58/1080010158.db2.gz DHXJANQMNKIAMZ-VXKWHMMOSA-N 1 0 415.578 2.790 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000806791526 1080011661 /nfs/dbraw/zinc/01/16/61/1080011661.db2.gz GHYTYTDNAUTOAO-QGZVFWFLSA-N 1 0 412.600 2.658 20 0 HFADRO CC(C)OC(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000806796320 1080015441 /nfs/dbraw/zinc/01/54/41/1080015441.db2.gz ZCILDDYLXSCWPQ-XLIONFOSSA-N 1 0 402.539 2.958 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Br)ncc1Cl ZINC000806861417 1080063813 /nfs/dbraw/zinc/06/38/13/1080063813.db2.gz MYQNRGOJNCDKIR-LBPRGKRZSA-N 1 0 402.720 2.871 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000806864521 1080066401 /nfs/dbraw/zinc/06/64/01/1080066401.db2.gz DAAOBLKPTVXVEB-UHFFFAOYSA-N 1 0 409.530 2.881 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000806931447 1080097902 /nfs/dbraw/zinc/09/79/02/1080097902.db2.gz MDKKEELZDRMUNX-JTTJXQCZSA-N 1 0 405.461 2.921 20 0 HFADRO CC(C)[NH+](CCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)C(C)C ZINC000806897036 1080104403 /nfs/dbraw/zinc/10/44/03/1080104403.db2.gz NSCGCOUZUYWRLS-OALUTQOASA-N 1 0 412.575 2.575 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCc1ccc(Cl)nc1 ZINC000806966029 1080135780 /nfs/dbraw/zinc/13/57/80/1080135780.db2.gz SIUSIKKIYDHBGU-UHFFFAOYSA-N 1 0 415.969 2.737 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000806968308 1080136936 /nfs/dbraw/zinc/13/69/36/1080136936.db2.gz AKLXSXIRVMNQKK-WGMWDUQUSA-N 1 0 416.566 2.921 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000806945007 1080154365 /nfs/dbraw/zinc/15/43/65/1080154365.db2.gz GRKPVRGBZRGFLQ-SJORKVTESA-N 1 0 420.554 2.673 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000807007732 1080206846 /nfs/dbraw/zinc/20/68/46/1080206846.db2.gz MRMKGFPJRGXRAF-VQIMIIECSA-N 1 0 403.527 2.527 20 0 HFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCCC[C@H]2COC(=O)N(C)C)CC1 ZINC000807007329 1080206861 /nfs/dbraw/zinc/20/68/61/1080206861.db2.gz GDQSEZOLDLUPLV-PXNSSMCTSA-N 1 0 417.554 2.869 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1 ZINC000807037859 1080227457 /nfs/dbraw/zinc/22/74/57/1080227457.db2.gz DRXKIDGLTZRYGZ-RTWAWAEBSA-N 1 0 412.509 2.919 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000807054188 1080238186 /nfs/dbraw/zinc/23/81/86/1080238186.db2.gz GCDRFDYZUFNWQG-DFQSSKMNSA-N 1 0 403.592 2.757 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807087183 1080265678 /nfs/dbraw/zinc/26/56/78/1080265678.db2.gz GGBJIQZRNXJYFP-QHCPKHFHSA-N 1 0 423.557 2.991 20 0 HFADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[C@H]1c1ccccc1 ZINC000807088253 1080266841 /nfs/dbraw/zinc/26/68/41/1080266841.db2.gz NERQWHNUAFJPPB-YTFSRNRJSA-N 1 0 421.541 2.832 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000807088377 1080267297 /nfs/dbraw/zinc/26/72/97/1080267297.db2.gz AFTGEOKISSSQRK-OPYAIIAOSA-N 1 0 401.551 2.507 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000747373348 1080268135 /nfs/dbraw/zinc/26/81/35/1080268135.db2.gz LEIKUFLCHLIDBD-COXVUDFISA-N 1 0 419.913 2.659 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000807096349 1080275214 /nfs/dbraw/zinc/27/52/14/1080275214.db2.gz IAAQYUQBGOQDJT-HXUWFJFHSA-N 1 0 412.490 2.754 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000807113973 1080290344 /nfs/dbraw/zinc/29/03/44/1080290344.db2.gz JIWQMWYKYJCLSA-QFBILLFUSA-N 1 0 414.937 2.686 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000807113718 1080290369 /nfs/dbraw/zinc/29/03/69/1080290369.db2.gz IDLRPXHVIQWOJQ-BSIFCXSSSA-N 1 0 410.518 2.673 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCc1ccccc1F ZINC000807114677 1080291490 /nfs/dbraw/zinc/29/14/90/1080291490.db2.gz YUSKBROQSIPJAQ-XMSQKQJNSA-N 1 0 411.521 2.853 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)c2nc(Br)sc2C2CC2)ccc1=O ZINC000807156666 1080314300 /nfs/dbraw/zinc/31/43/00/1080314300.db2.gz JDTHYSMCQWIWLH-UHFFFAOYSA-N 1 0 411.325 2.759 20 0 HFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000807188601 1080337730 /nfs/dbraw/zinc/33/77/30/1080337730.db2.gz MEPUXYFRBMZJFA-KRWDZBQOSA-N 1 0 412.456 2.700 20 0 HFADRO CCO[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C12CCCC2 ZINC000807198639 1080347887 /nfs/dbraw/zinc/34/78/87/1080347887.db2.gz MNPAAHJWDFFPFB-PMACEKPBSA-N 1 0 401.551 2.561 20 0 HFADRO CC(=O)NCC[C@H]1CCCN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807202925 1080349649 /nfs/dbraw/zinc/34/96/49/1080349649.db2.gz IDPGNQLGGIELPO-FYYLOGMGSA-N 1 0 400.567 2.846 20 0 HFADRO C[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807212596 1080362421 /nfs/dbraw/zinc/36/24/21/1080362421.db2.gz HIIGFFRADUKBTM-SFHVURJKSA-N 1 0 423.598 2.840 20 0 HFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895651 1080432400 /nfs/dbraw/zinc/43/24/00/1080432400.db2.gz UADJQUNRIVEBRJ-OLZOCXBDSA-N 1 0 420.000 2.544 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1nccnc1C(OC)OC ZINC001170522023 1080494811 /nfs/dbraw/zinc/49/48/11/1080494811.db2.gz UPHNCLGOIXYRQB-UHFFFAOYSA-N 1 0 412.490 2.903 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1C)c1ccco1 ZINC000807310446 1080504850 /nfs/dbraw/zinc/50/48/50/1080504850.db2.gz IYEHBXDLGXEMKD-FZMZJTMJSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1)c1ccco1 ZINC000807310691 1080504874 /nfs/dbraw/zinc/50/48/74/1080504874.db2.gz QBBHERSQDORRRL-WBMJQRKESA-N 1 0 421.881 2.904 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000807355181 1080516394 /nfs/dbraw/zinc/51/63/94/1080516394.db2.gz PJJXTSXSGRSCCE-VQIMIIECSA-N 1 0 401.507 2.667 20 0 HFADRO CON(CC(C)(C)C)C(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000807359944 1080521309 /nfs/dbraw/zinc/52/13/09/1080521309.db2.gz VWHCZHIGJAKILI-UHFFFAOYSA-N 1 0 418.538 2.876 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 ZINC000807359365 1080521860 /nfs/dbraw/zinc/52/18/60/1080521860.db2.gz ZBVQYQSXJIXKBE-UHFFFAOYSA-N 1 0 409.914 2.790 20 0 HFADRO Cc1ccc([C@H](O)[C@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000807347998 1080553655 /nfs/dbraw/zinc/55/36/55/1080553655.db2.gz RWIXBTYJZKUDGI-RYGJVYDSSA-N 1 0 411.502 2.557 20 0 HFADRO Cc1ccc(NC(=O)C(=O)Nc2ccc(F)c([C@@H](C)O)c2)c(OCC[NH+](C)C)c1 ZINC000807395699 1080561699 /nfs/dbraw/zinc/56/16/99/1080561699.db2.gz FVZNXWULNKIXEN-CQSZACIVSA-N 1 0 403.454 2.705 20 0 HFADRO C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001130926718 1080569313 /nfs/dbraw/zinc/56/93/13/1080569313.db2.gz JKHVBRCVMZXDAE-IFXJQAMLSA-N 1 0 411.340 2.848 20 0 HFADRO COc1ccc(OC)c2c1CN(C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)C[C@H]2O ZINC000807402676 1080598287 /nfs/dbraw/zinc/59/82/87/1080598287.db2.gz KQUCMRSTCCSFNA-YBOAYWMSSA-N 1 0 413.518 2.954 20 0 HFADRO C[C@H](NC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000807405078 1080599149 /nfs/dbraw/zinc/59/91/49/1080599149.db2.gz JKDXVOSHLRJHHS-WMLDXEAASA-N 1 0 414.472 2.778 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807453405 1080632875 /nfs/dbraw/zinc/63/28/75/1080632875.db2.gz NGIDQABSVGTFDU-UTKZUKDTSA-N 1 0 408.502 2.684 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1)c1ccco1 ZINC000807442374 1080662396 /nfs/dbraw/zinc/66/23/96/1080662396.db2.gz ZDBSNUWJEOGNHU-GDAAHCPNSA-N 1 0 403.527 2.740 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC([C@H](O)c2nccn2C)CC1)c1ccco1 ZINC000807443534 1080664734 /nfs/dbraw/zinc/66/47/34/1080664734.db2.gz NIVOOHLCDDADPU-IEZWGBDMSA-N 1 0 403.527 2.598 20 0 HFADRO COCC(C)(C)CCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000807490644 1080679862 /nfs/dbraw/zinc/67/98/62/1080679862.db2.gz IYQPGZCADTYXLP-UHFFFAOYSA-N 1 0 418.582 2.725 20 0 HFADRO Cc1cc(Br)ncc1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000807485333 1080740663 /nfs/dbraw/zinc/74/06/63/1080740663.db2.gz DHKGLNFAQGZOGG-OAHLLOKOSA-N 1 0 423.286 2.649 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1C ZINC000807543476 1080758126 /nfs/dbraw/zinc/75/81/26/1080758126.db2.gz OVZCLCBKNXWZRS-OXJNMPFZSA-N 1 0 424.501 2.891 20 0 HFADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000807543311 1080758739 /nfs/dbraw/zinc/75/87/39/1080758739.db2.gz FINOVWVNOVGCGZ-ZFWWWQNUSA-N 1 0 406.408 2.818 20 0 HFADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000807542863 1080759158 /nfs/dbraw/zinc/75/91/58/1080759158.db2.gz FVTDJTTYNGMSJB-XJKSGUPXSA-N 1 0 417.307 2.562 20 0 HFADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543551 1080760920 /nfs/dbraw/zinc/76/09/20/1080760920.db2.gz IQESSYBYVMTGMS-UZLBHIALSA-N 1 0 424.501 2.607 20 0 HFADRO COC[C@@]1(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550373 1080765879 /nfs/dbraw/zinc/76/58/79/1080765879.db2.gz GERKRETXUWUUMJ-NRFANRHFSA-N 1 0 412.575 2.528 20 0 HFADRO CC(C)Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(C)c2C2CC2)[NH+](C)C)cc1 ZINC000807524276 1080776767 /nfs/dbraw/zinc/77/67/67/1080776767.db2.gz DUZPRSUPQQSBOR-FQEVSTJZSA-N 1 0 411.550 2.854 20 0 HFADRO CC(C)Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccnn2CC2CC2)[NH+](C)C)cc1 ZINC000807525120 1080777659 /nfs/dbraw/zinc/77/76/59/1080777659.db2.gz VTPAVBRZGCZNFD-HXUWFJFHSA-N 1 0 411.550 2.849 20 0 HFADRO CON(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807582560 1080793552 /nfs/dbraw/zinc/79/35/52/1080793552.db2.gz PZPHALCYLPFZTD-MJGOQNOKSA-N 1 0 401.532 2.837 20 0 HFADRO COC[C@@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807553219 1080802570 /nfs/dbraw/zinc/80/25/70/1080802570.db2.gz GYQCFGSPDCACHC-GCJKJVERSA-N 1 0 424.586 2.672 20 0 HFADRO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474025275 1126094726 /nfs/dbraw/zinc/09/47/26/1126094726.db2.gz XWHANDPIYNPGLS-IBGZPJMESA-N 1 0 405.336 2.979 20 0 HFADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001175708720 1126149450 /nfs/dbraw/zinc/14/94/50/1126149450.db2.gz UWBFDTHRICKJMN-HSZRJFAPSA-N 1 0 419.485 2.613 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001308113331 1126162955 /nfs/dbraw/zinc/16/29/55/1126162955.db2.gz DJDYSHBPEDZEKH-LJQANCHMSA-N 1 0 421.423 2.773 20 0 HFADRO O=c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)nc2ccc(Cl)cn12 ZINC001560100061 1126207693 /nfs/dbraw/zinc/20/76/93/1126207693.db2.gz DCOIRFUULLOKOE-YJBOKZPZSA-N 1 0 411.811 2.972 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1OC ZINC001560184283 1126209763 /nfs/dbraw/zinc/20/97/63/1126209763.db2.gz JMWNJVKQSNANLP-QHCPKHFHSA-N 1 0 413.470 2.908 20 0 HFADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164392237 718826061 /nfs/dbraw/zinc/82/60/61/718826061.db2.gz ZNDXVEUBIQTPIO-WBVHZDCISA-N 1 0 410.852 2.918 20 0 HFADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@@H]3C2)c(Cl)nn1 ZINC001164391862 718826082 /nfs/dbraw/zinc/82/60/82/718826082.db2.gz XRPBZEZDPRCGKR-RHSMWYFYSA-N 1 0 410.852 2.918 20 0 HFADRO COc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)cc1 ZINC001164390079 718826272 /nfs/dbraw/zinc/82/62/72/718826272.db2.gz LUBSQZKJQFKPPG-RDJZCZTQSA-N 1 0 410.852 2.918 20 0 HFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001164410610 718872850 /nfs/dbraw/zinc/87/28/50/718872850.db2.gz DUCVBPBQJXXSSG-LSDHHAIUSA-N 1 0 408.836 2.973 20 0 HFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164418539 718891990 /nfs/dbraw/zinc/89/19/90/718891990.db2.gz OUOQBAKEFCBZCK-OAHLLOKOSA-N 1 0 415.916 2.870 20 0 HFADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424106 718918065 /nfs/dbraw/zinc/91/80/65/718918065.db2.gz LHVUYKJTKCIIMY-IBGZPJMESA-N 1 0 424.879 2.927 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164433780 718967722 /nfs/dbraw/zinc/96/77/22/718967722.db2.gz NFGXHAFZDUZBPR-KBPBESRZSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164432632 718967736 /nfs/dbraw/zinc/96/77/36/718967736.db2.gz HZXLEUQFMWWYOL-UONOGXRCSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164617227 719006611 /nfs/dbraw/zinc/00/66/11/719006611.db2.gz NFNFYPIUUZSUDB-FZKQIMNGSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc(C)c(N4CCCC4)n3)CC2)CC1 ZINC001164617772 719020926 /nfs/dbraw/zinc/02/09/26/719020926.db2.gz PGRFNLFHSWLNMD-UHFFFAOYSA-N 1 0 401.555 2.629 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)OC)cc(Cl)n3)CC2)CC1 ZINC001164613847 719021841 /nfs/dbraw/zinc/02/18/41/719021841.db2.gz HNDQVMCZFARZCX-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CCOC(=O)c1nnc(SC)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164620997 719068787 /nfs/dbraw/zinc/06/87/87/719068787.db2.gz FYGPYYRJISNVMG-DLBZAZTESA-N 1 0 413.547 2.871 20 0 HFADRO COC(=O)c1cc2cnc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2n1C ZINC001164629196 719095367 /nfs/dbraw/zinc/09/53/67/719095367.db2.gz RAPJFXFAAHKBQX-XLIONFOSSA-N 1 0 405.502 2.856 20 0 HFADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccc(OC)c2)c1 ZINC001164634291 719138487 /nfs/dbraw/zinc/13/84/87/719138487.db2.gz UKVDHNMXDGKFGO-MRXNPFEDSA-N 1 0 411.836 2.907 20 0 HFADRO C[C@@H]1CN(c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](C)C[N@@H+]1C ZINC001164643608 719218365 /nfs/dbraw/zinc/21/83/65/719218365.db2.gz ZPIKZRRSUGIPLL-UXHICEINSA-N 1 0 407.562 2.568 20 0 HFADRO C[C@@H]1CN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)[C@@H](C)C[N@@H+]1C ZINC000508342128 719236792 /nfs/dbraw/zinc/23/67/92/719236792.db2.gz TZOJGURVEMYNPY-CVEARBPZSA-N 1 0 415.607 2.931 20 0 HFADRO c1cc(OCC[NH+]2CCCC2)nc(N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC001164650000 719294290 /nfs/dbraw/zinc/29/42/90/719294290.db2.gz XPBSZRBDEIAMSS-HFMPRLQTSA-N 1 0 424.545 2.904 20 0 HFADRO C[N@H+](Cc1ccc(N2CCCn3nnc(COc4cccnc4)c3C2)nc1)C1CC1 ZINC001164654759 719328178 /nfs/dbraw/zinc/32/81/78/719328178.db2.gz MUENMANOAHENFW-UHFFFAOYSA-N 1 0 405.506 2.652 20 0 HFADRO Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cn1 ZINC001164680786 719656219 /nfs/dbraw/zinc/65/62/19/719656219.db2.gz IUJXGTVFNIMUEK-IBGZPJMESA-N 1 0 407.562 2.878 20 0 HFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(F)nn3)CC2)c2ccccc21 ZINC001164686996 719670349 /nfs/dbraw/zinc/67/03/49/719670349.db2.gz ZNAWCGPIKFTHPV-QGZVFWFLSA-N 1 0 411.525 2.709 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164684155 719699635 /nfs/dbraw/zinc/69/96/35/719699635.db2.gz NJZMUTNNGDAPIH-UHFFFAOYSA-N 1 0 408.280 2.509 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)CC2 ZINC001164682426 719701118 /nfs/dbraw/zinc/70/11/18/719701118.db2.gz DUSRLJVCXQYINF-UHFFFAOYSA-N 1 0 419.929 2.578 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C)nc(-c3ccc(Cl)nc3)n1)CC2 ZINC001164689846 719751012 /nfs/dbraw/zinc/75/10/12/719751012.db2.gz LSOGXLQVXCPJGR-UHFFFAOYSA-N 1 0 414.941 2.681 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCOCC4)ncn2)CC3)cs1 ZINC001164692293 719804884 /nfs/dbraw/zinc/80/48/84/719804884.db2.gz MSNLPACGDMTANO-UHFFFAOYSA-N 1 0 414.579 2.713 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc(Cl)c2C(N)=O)CC3)cs1 ZINC001164692923 719810544 /nfs/dbraw/zinc/81/05/44/719810544.db2.gz NTHVRXKZORRDHI-UHFFFAOYSA-N 1 0 406.943 2.629 20 0 HFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2cncc(C(=O)N(C)C)n2)CC3)cs1 ZINC001164692218 719814583 /nfs/dbraw/zinc/81/45/83/719814583.db2.gz OPLFEXAVMZXFHS-UHFFFAOYSA-N 1 0 400.552 2.578 20 0 HFADRO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164696325 719835775 /nfs/dbraw/zinc/83/57/75/719835775.db2.gz SOIVLNHPZNPXMK-HXUWFJFHSA-N 1 0 419.533 2.522 20 0 HFADRO COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1OC ZINC001164694642 719887311 /nfs/dbraw/zinc/88/73/11/719887311.db2.gz BOSQBVQYRCOFHE-UHFFFAOYSA-N 1 0 417.531 2.810 20 0 HFADRO COC(=O)Cc1cccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696153 719891112 /nfs/dbraw/zinc/89/11/12/719891112.db2.gz ZVUWSPTXFDKNJL-UHFFFAOYSA-N 1 0 401.532 2.730 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc3cc(OC)c(OC)cc3n1)C2 ZINC001164807034 720109311 /nfs/dbraw/zinc/10/93/11/720109311.db2.gz ANAWYHMUBUACED-SBUREZEXSA-N 1 0 412.534 2.832 20 0 HFADRO CCOC(=O)c1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2c1 ZINC001164815399 720115741 /nfs/dbraw/zinc/11/57/41/720115741.db2.gz VENAHILOLFWRBF-NTKDMRAZSA-N 1 0 424.545 2.991 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)C2 ZINC001164808087 720133531 /nfs/dbraw/zinc/13/35/31/720133531.db2.gz DLONKKLOWHVFIE-YKSBVNFPSA-N 1 0 422.577 2.789 20 0 HFADRO CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)[nH]c-2n1 ZINC001164813885 720143401 /nfs/dbraw/zinc/14/34/01/720143401.db2.gz RLGGUZYAOLIWJU-MBSDFSHPSA-N 1 0 412.534 2.924 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164813799 720147912 /nfs/dbraw/zinc/14/79/12/720147912.db2.gz QQUKIWYVOUAEEA-CVDCTZTESA-N 1 0 400.567 2.795 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1nc(C)n3C)C2 ZINC001164819433 720157862 /nfs/dbraw/zinc/15/78/62/720157862.db2.gz XBBPTUAKNKDTFL-FOIQADDNSA-N 1 0 404.946 2.510 20 0 HFADRO Cn1nnc2c1CCN(c1c(Cl)ccnc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164718818 720180041 /nfs/dbraw/zinc/18/00/41/720180041.db2.gz RXIFBSKZFFAOHZ-HNNXBMFYSA-N 1 0 411.337 2.733 20 0 HFADRO Cn1nnc2c1CCN(c1ncc(F)c3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715936 720184037 /nfs/dbraw/zinc/18/40/37/720184037.db2.gz DWEPXJDLGZXPOL-FQEVSTJZSA-N 1 0 410.497 2.719 20 0 HFADRO Cn1nnc2c1CCN(c1nccc3c(F)cccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164719589 720186023 /nfs/dbraw/zinc/18/60/23/720186023.db2.gz WMVCZIGQAZNQDT-FQEVSTJZSA-N 1 0 410.497 2.719 20 0 HFADRO Cc1cc2ccccc2c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164718175 720190840 /nfs/dbraw/zinc/19/08/40/720190840.db2.gz YLBWYHUOBFSYPY-NRFANRHFSA-N 1 0 406.534 2.888 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)n2)CC1 ZINC001164818509 720285015 /nfs/dbraw/zinc/28/50/15/720285015.db2.gz LYUHTJOORLKSJL-GJZGRUSLSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cn2)CC1 ZINC001164821915 720297140 /nfs/dbraw/zinc/29/71/40/720297140.db2.gz LYQDTIMQZRXJTR-LSDHHAIUSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cl)c3ccncc32)CC1 ZINC001164825971 720300459 /nfs/dbraw/zinc/30/04/59/720300459.db2.gz UVOREVWHMUQCHQ-ZWKOTPCHSA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3[C@H](F)Oc2ccnc(Cl)c2)CC1 ZINC001164822572 720306944 /nfs/dbraw/zinc/30/69/44/720306944.db2.gz NDPXIJPCLIVATI-UWVAXJGDSA-N 1 0 410.921 2.774 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164832421 720318537 /nfs/dbraw/zinc/31/85/37/720318537.db2.gz SYFWFQHJYZXDOS-HUUCEWRRSA-N 1 0 409.987 2.763 20 0 HFADRO COc1ccc2ncc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164826317 720319332 /nfs/dbraw/zinc/31/93/32/720319332.db2.gz GEQLPTQYWIACKW-NHCUHLMSSA-N 1 0 409.534 2.550 20 0 HFADRO CCOc1ccc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164829841 720322272 /nfs/dbraw/zinc/32/22/72/720322272.db2.gz OHQVSUHFGNNBMR-VXKWHMMOSA-N 1 0 423.561 2.940 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(C)c2c1 ZINC001164823879 720324447 /nfs/dbraw/zinc/32/44/47/720324447.db2.gz BOCBLUGREQTMCF-FGZHOGPDSA-N 1 0 423.561 2.858 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cl)c3ccoc32)CC1 ZINC001164833032 720328500 /nfs/dbraw/zinc/32/85/00/720328500.db2.gz VWOLVOTXUYRWBB-JKSUJKDBSA-N 1 0 403.914 2.788 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc(-c3cccc(F)c3)n2)CC1 ZINC001164825997 720342976 /nfs/dbraw/zinc/34/29/76/720342976.db2.gz KBPGGHKGGLZDHS-WOJBJXKFSA-N 1 0 424.524 2.589 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827887 720351174 /nfs/dbraw/zinc/35/11/74/720351174.db2.gz NASZRYCHPDJQJS-PMACEKPBSA-N 1 0 414.550 2.558 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccnc(-c3nccs3)n2)CC1 ZINC001164825743 720354778 /nfs/dbraw/zinc/35/47/78/720354778.db2.gz JRDMECJUGQKBKX-DLBZAZTESA-N 1 0 412.563 2.512 20 0 HFADRO COc1cc(C)c2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828349 720356716 /nfs/dbraw/zinc/35/67/16/720356716.db2.gz OITQCOHLSVQCLJ-NHCUHLMSSA-N 1 0 423.561 2.858 20 0 HFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)no1 ZINC001164734795 720431289 /nfs/dbraw/zinc/43/12/89/720431289.db2.gz UOFHDYRTDSXWKC-RBUKOAKNSA-N 1 0 404.474 2.879 20 0 HFADRO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164840062 720520097 /nfs/dbraw/zinc/52/00/97/720520097.db2.gz WFPHCMCYYNBKIR-CMKODMSKSA-N 1 0 412.538 2.616 20 0 HFADRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838412 720524028 /nfs/dbraw/zinc/52/40/28/720524028.db2.gz QTHQMNBEXKVNHP-NLWGTHIKSA-N 1 0 412.538 2.536 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3ncn4C)CC[C@@H]21 ZINC001164836400 720529312 /nfs/dbraw/zinc/52/93/12/720529312.db2.gz JYHTYSYNXCLFSS-JYJNAYRXSA-N 1 0 414.945 2.591 20 0 HFADRO CCOC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164835826 720556328 /nfs/dbraw/zinc/55/63/28/720556328.db2.gz IALSGIUGFUQGKX-IPMKNSEASA-N 1 0 412.538 2.536 20 0 HFADRO COC(=O)c1ccc2ccnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164729590 720561320 /nfs/dbraw/zinc/56/13/20/720561320.db2.gz RJRXHWGZQFRLGS-UHFFFAOYSA-N 1 0 405.502 2.876 20 0 HFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164729674 720569763 /nfs/dbraw/zinc/56/97/63/720569763.db2.gz SOSBISOPMNPWMN-UHFFFAOYSA-N 1 0 404.518 2.911 20 0 HFADRO COc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841637 720584936 /nfs/dbraw/zinc/58/49/36/720584936.db2.gz TZTGJRQRSIKDBY-SQGPQFPESA-N 1 0 407.522 2.608 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN([C@H](F)Oc3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841999 720649363 /nfs/dbraw/zinc/64/93/63/720649363.db2.gz ROJFMYCKGSGTRH-OLMMMNRUSA-N 1 0 408.909 2.832 20 0 HFADRO CCOC(=O)c1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164837024 720671074 /nfs/dbraw/zinc/67/10/74/720671074.db2.gz AVDAEAPYRVQXBW-IBGZPJMESA-N 1 0 410.518 2.913 20 0 HFADRO Fc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736787 720682501 /nfs/dbraw/zinc/68/25/01/720682501.db2.gz BGFATUYBOORDRX-QWHCGFSZSA-N 1 0 400.845 2.554 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3c1NC(=O)CO3)CC2 ZINC001164840461 720692960 /nfs/dbraw/zinc/69/29/60/720692960.db2.gz DZXRIOLYWFHZHT-SFHVURJKSA-N 1 0 408.502 2.672 20 0 HFADRO COCc1nc(OC)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837655 720726327 /nfs/dbraw/zinc/72/63/27/720726327.db2.gz FULAGWVFOLONTJ-IBGZPJMESA-N 1 0 412.534 2.892 20 0 HFADRO Fc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164739426 720734098 /nfs/dbraw/zinc/73/40/98/720734098.db2.gz IOTYLPKFXAUJMZ-FUHWJXTLSA-N 1 0 408.437 2.540 20 0 HFADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745845 720772211 /nfs/dbraw/zinc/77/22/11/720772211.db2.gz WAQXGFHHKUTZCT-UXHICEINSA-N 1 0 416.529 2.967 20 0 HFADRO Clc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC001164738571 720778223 /nfs/dbraw/zinc/77/82/23/720778223.db2.gz GBJOXYHMUSUGKY-DLBZAZTESA-N 1 0 408.893 2.929 20 0 HFADRO c1ccc(CSc2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164746075 720788513 /nfs/dbraw/zinc/78/85/13/720788513.db2.gz LSWBFLSYPFMKME-MOPGFXCFSA-N 1 0 420.542 2.901 20 0 HFADRO c1ccc(CSc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746696 720797912 /nfs/dbraw/zinc/79/79/12/720797912.db2.gz MQJYXACDJXPHPZ-MOPGFXCFSA-N 1 0 420.542 2.901 20 0 HFADRO Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1F ZINC001164745513 720802338 /nfs/dbraw/zinc/80/23/38/720802338.db2.gz KQUUANLJUXOCEE-IRXDYDNUSA-N 1 0 406.465 2.723 20 0 HFADRO Cc1nc2ccsc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164750049 720809360 /nfs/dbraw/zinc/80/93/60/720809360.db2.gz VBZCJCANBGSZOO-JENIJYKNSA-N 1 0 409.563 2.971 20 0 HFADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164743369 720809930 /nfs/dbraw/zinc/80/99/30/720809930.db2.gz FQUFLADRYJMKPI-SFHLNBCPSA-N 1 0 424.549 2.538 20 0 HFADRO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747485 720813724 /nfs/dbraw/zinc/81/37/24/720813724.db2.gz OEJLITSLFIQWSE-BZUAXINKSA-N 1 0 423.899 2.646 20 0 HFADRO COc1cc(Cl)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748335 720815295 /nfs/dbraw/zinc/81/52/95/720815295.db2.gz QTDMQZUQPYXKSQ-CGTJXYLNSA-N 1 0 402.930 2.715 20 0 HFADRO Clc1ccc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742099 720816333 /nfs/dbraw/zinc/81/63/33/720816333.db2.gz PUBJANSCYPEJBY-LZLYRXPVSA-N 1 0 424.940 2.649 20 0 HFADRO COc1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164741774 720821697 /nfs/dbraw/zinc/82/16/97/720821697.db2.gz OFTWBRHPOOHGRZ-CNNODRBYSA-N 1 0 419.533 2.609 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745115 720828488 /nfs/dbraw/zinc/82/84/88/720828488.db2.gz WJYIZRZOWIPBED-BZUAXINKSA-N 1 0 419.986 2.823 20 0 HFADRO COc1ccc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746746 720829647 /nfs/dbraw/zinc/82/96/47/720829647.db2.gz YTZZNGVYZJXHDE-JFIYKMOQSA-N 1 0 402.930 2.715 20 0 HFADRO Cc1[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164737384 720830651 /nfs/dbraw/zinc/83/06/51/720830651.db2.gz AQDANPSLYDOKDO-GUDVDZBRSA-N 1 0 406.538 2.546 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164742082 720831580 /nfs/dbraw/zinc/83/15/80/720831580.db2.gz PRVRBNSQPJTESM-CNNODRBYSA-N 1 0 419.533 2.609 20 0 HFADRO Fc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749395 720832903 /nfs/dbraw/zinc/83/29/03/720832903.db2.gz VTQLIFZSEYGIGP-ABSDTBQOSA-N 1 0 407.497 2.740 20 0 HFADRO Fc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164748048 720840402 /nfs/dbraw/zinc/84/04/02/720840402.db2.gz SIXMLXJBQADMHP-SLYNCCJLSA-N 1 0 407.497 2.740 20 0 HFADRO Cc1csc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164741699 720843239 /nfs/dbraw/zinc/84/32/39/720843239.db2.gz FNLHQICGCZNXAL-RCCFBDPRSA-N 1 0 409.563 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@@H]2C1 ZINC001164849298 720849499 /nfs/dbraw/zinc/84/94/99/720849499.db2.gz BYGQOCCNFUFBRU-RTBURBONSA-N 1 0 416.953 2.894 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747176 720856750 /nfs/dbraw/zinc/85/67/50/720856750.db2.gz IAUHRGKEOTWVGM-SFHLNBCPSA-N 1 0 424.549 2.618 20 0 HFADRO COc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755741 720871568 /nfs/dbraw/zinc/87/15/68/720871568.db2.gz YOYZWJXIUDCECM-NFBKMPQASA-N 1 0 409.534 2.635 20 0 HFADRO CN(C)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164748037 720872579 /nfs/dbraw/zinc/87/25/79/720872579.db2.gz DMUQVXCOEWWDEW-ZJSXRUAMSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@H]2C1 ZINC001164861280 720874590 /nfs/dbraw/zinc/87/45/90/720874590.db2.gz PLCXCEILPIRTDY-UGKGYDQZSA-N 1 0 419.529 2.865 20 0 HFADRO [O-][n+]1cc(F)ccc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755473 720880627 /nfs/dbraw/zinc/88/06/27/720880627.db2.gz XMMYALWWHZDBOF-NZQKXSOJSA-N 1 0 412.509 2.609 20 0 HFADRO [O-][n+]1cc(F)ccc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755474 720880698 /nfs/dbraw/zinc/88/06/98/720880698.db2.gz XMMYALWWHZDBOF-OFNKIYASSA-N 1 0 412.509 2.609 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(Oc4ccc(F)cc4)n3)CC[C@H]2C1 ZINC001164862199 720880816 /nfs/dbraw/zinc/88/08/16/720880816.db2.gz RGAPVUMFSQYDGQ-QFBILLFUSA-N 1 0 402.470 2.582 20 0 HFADRO [O-][n+]1cc(F)ccc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755475 720880854 /nfs/dbraw/zinc/88/08/54/720880854.db2.gz XMMYALWWHZDBOF-REWPJTCUSA-N 1 0 412.509 2.609 20 0 HFADRO COc1cncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749947 720880977 /nfs/dbraw/zinc/88/09/77/720880977.db2.gz IEHWEPJXVULDCA-NFBKMPQASA-N 1 0 409.534 2.635 20 0 HFADRO CN(C)c1nccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753857 720884253 /nfs/dbraw/zinc/88/42/53/720884253.db2.gz HIZVVQPZEOFUAQ-URXFXBBRSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(F)F)nc4ccc(F)cc43)CC[C@@H]2C1 ZINC001164858459 720886203 /nfs/dbraw/zinc/88/62/03/720886203.db2.gz KXSBZDAZNIRSQF-DYVFJYSZSA-N 1 0 410.440 2.880 20 0 HFADRO COc1ncnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164756289 720887363 /nfs/dbraw/zinc/88/73/63/720887363.db2.gz PDBWHHLHQLHJHU-XUZZJYLKSA-N 1 0 423.561 2.944 20 0 HFADRO COCc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164746510 720932263 /nfs/dbraw/zinc/93/22/63/720932263.db2.gz BFAGEHGYUOAXQM-XUZZJYLKSA-N 1 0 423.561 2.773 20 0 HFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867687 721057178 /nfs/dbraw/zinc/05/71/78/721057178.db2.gz JRMWYWQPXGLQJV-PMACEKPBSA-N 1 0 410.518 2.912 20 0 HFADRO COCc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164766582 721081214 /nfs/dbraw/zinc/08/12/14/721081214.db2.gz KWQUWFHSYIQQHF-LEWJYISDSA-N 1 0 418.545 2.982 20 0 HFADRO Clc1nc2ncsc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164863316 721092003 /nfs/dbraw/zinc/09/20/03/721092003.db2.gz BSJSVANCWANCPH-KGLIPLIRSA-N 1 0 402.911 2.614 20 0 HFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867634 721094129 /nfs/dbraw/zinc/09/41/29/721094129.db2.gz YZBUSVUDPSWTJM-CABCVRRESA-N 1 0 409.868 2.737 20 0 HFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866008 721103147 /nfs/dbraw/zinc/10/31/47/721103147.db2.gz RADXAHJNYAUUOS-HZPDHXFCSA-N 1 0 409.868 2.737 20 0 HFADRO c1ccc(COc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cn2)cc1 ZINC001164863737 721121312 /nfs/dbraw/zinc/12/13/12/721121312.db2.gz DALKTZPPZICYGZ-VXKWHMMOSA-N 1 0 417.513 2.930 20 0 HFADRO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762085 721128371 /nfs/dbraw/zinc/12/83/71/721128371.db2.gz BVIQFHWHFLTZHA-JKSUJKDBSA-N 1 0 412.925 2.984 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876521 721160745 /nfs/dbraw/zinc/16/07/45/721160745.db2.gz MZWOOWGUOXZKBK-NHCUHLMSSA-N 1 0 402.502 2.722 20 0 HFADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc21 ZINC001164869790 721170146 /nfs/dbraw/zinc/17/01/46/721170146.db2.gz BPZUQZKSMDHWQJ-MOPGFXCFSA-N 1 0 418.497 2.896 20 0 HFADRO c1cncc(CO[C@H]2C[C@@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)CC[N@@H+]3C2)c1 ZINC001164877022 721175534 /nfs/dbraw/zinc/17/55/34/721175534.db2.gz NYRYRBCZNHKSTJ-UXHICEINSA-N 1 0 418.501 2.884 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@@H]3C2)cn1 ZINC001164772909 721178157 /nfs/dbraw/zinc/17/81/57/721178157.db2.gz VZLVFLLFQLXQTQ-RTWAWAEBSA-N 1 0 400.530 2.934 20 0 HFADRO COc1ccc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1 ZINC001164761999 721194273 /nfs/dbraw/zinc/19/42/73/721194273.db2.gz BQMJJUMUGOMARE-UXHICEINSA-N 1 0 404.518 2.844 20 0 HFADRO COc1ccccc1-c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nn1 ZINC001164770793 721201534 /nfs/dbraw/zinc/20/15/34/721201534.db2.gz OKLJVQWPNYJFEH-RBUKOAKNSA-N 1 0 404.518 2.844 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@@H]3C2)cn1 ZINC001164770819 721212573 /nfs/dbraw/zinc/21/25/73/721212573.db2.gz ORRSYWAZJRXSEC-KBPBESRZSA-N 1 0 421.883 2.848 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc4cccc(Cl)c43)CC2)C1 ZINC001164874315 721275192 /nfs/dbraw/zinc/27/51/92/721275192.db2.gz PWMIEOCYSXDUOA-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)c1 ZINC001164874772 721299203 /nfs/dbraw/zinc/29/92/03/721299203.db2.gz CJACKXPJIAGWSO-IEBWSBKVSA-N 1 0 400.548 2.572 20 0 HFADRO C[N@H+](Cc1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1)C1CC1 ZINC001164876891 721329945 /nfs/dbraw/zinc/32/99/45/721329945.db2.gz RLKAGPLWTBVOQT-IBGZPJMESA-N 1 0 417.517 2.992 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4ncccc43)C2)C1 ZINC001164777644 721338053 /nfs/dbraw/zinc/33/80/53/721338053.db2.gz OWBMMSXBOZFVLB-QFIPXVFZSA-N 1 0 408.506 2.749 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4[nH]ccc43)C2)C1 ZINC001164777394 721340599 /nfs/dbraw/zinc/34/05/99/721340599.db2.gz GPCNKKUTVRRXGQ-QFIPXVFZSA-N 1 0 410.522 2.990 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886794 721373840 /nfs/dbraw/zinc/37/38/40/721373840.db2.gz NXGHNHVKKFEKMS-REWPJTCUSA-N 1 0 408.550 2.995 20 0 HFADRO Cc1nc2sccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888597 721379038 /nfs/dbraw/zinc/37/90/38/721379038.db2.gz KHBRPCLDRQNONH-UTKZUKDTSA-N 1 0 401.580 2.765 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886304 721398521 /nfs/dbraw/zinc/39/85/21/721398521.db2.gz DZKCLVAJQNWCGL-SXLOBPIMSA-N 1 0 412.937 2.628 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164892524 721400062 /nfs/dbraw/zinc/40/00/62/721400062.db2.gz YQAKAAYKEZJCJI-IIBYNOLFSA-N 1 0 418.973 2.685 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164884006 721406796 /nfs/dbraw/zinc/40/67/96/721406796.db2.gz CUCRECPWUKMOAD-RDTXWAMCSA-N 1 0 400.354 2.549 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164883902 721411943 /nfs/dbraw/zinc/41/19/43/721411943.db2.gz CLLCQBKQQKFCMI-SXLOBPIMSA-N 1 0 412.937 2.628 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ncsc54)C3)O2)CC1 ZINC001164886558 721413575 /nfs/dbraw/zinc/41/35/75/721413575.db2.gz JXJOEVZWTHZOTG-KUHUBIRLSA-N 1 0 422.986 2.505 20 0 HFADRO CC(C)COc1cccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897775 721428370 /nfs/dbraw/zinc/42/83/70/721428370.db2.gz URUNZTGJWCOVIM-OFNKIYASSA-N 1 0 402.583 2.882 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(C5CC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164886021 721447879 /nfs/dbraw/zinc/44/78/79/721447879.db2.gz GCSQNLUIGPFBLQ-WZONZLPQSA-N 1 0 410.566 2.601 20 0 HFADRO CCOc1cncc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789363 721448460 /nfs/dbraw/zinc/44/84/60/721448460.db2.gz UYBJXYSDEQGNGP-IBGZPJMESA-N 1 0 404.555 2.609 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1OC)CC2 ZINC001164789449 721450687 /nfs/dbraw/zinc/45/06/87/721450687.db2.gz WISQFDPWEJXFDV-KRWDZBQOSA-N 1 0 424.973 2.873 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5c(nc4Cl)CCCC5)C3)O2)CC1 ZINC001164888402 721451622 /nfs/dbraw/zinc/45/16/22/721451622.db2.gz LXXDCOZGYVPQRB-VGSWGCGISA-N 1 0 420.001 2.774 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)OC)CC2 ZINC001164785228 721453324 /nfs/dbraw/zinc/45/33/24/721453324.db2.gz HNUVHOIAQVOZFQ-IBGZPJMESA-N 1 0 417.550 2.602 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3ncsc3n1)CC2 ZINC001164786850 721462328 /nfs/dbraw/zinc/46/23/28/721462328.db2.gz PVXMZKRDIDKGGT-QGZVFWFLSA-N 1 0 417.579 2.820 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3c(nn1)CCC3)CC2 ZINC001164791240 721470842 /nfs/dbraw/zinc/47/08/42/721470842.db2.gz VSLZVBXRLZXKAP-HXUWFJFHSA-N 1 0 400.567 2.699 20 0 HFADRO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164896091 721502195 /nfs/dbraw/zinc/50/21/95/721502195.db2.gz HABSBELLRFDVFD-HXUWFJFHSA-N 1 0 400.567 2.824 20 0 HFADRO COC(=O)c1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc2c1 ZINC001164896986 721518325 /nfs/dbraw/zinc/51/83/25/721518325.db2.gz DESMKVDMIRQKIJ-QUCCMNQESA-N 1 0 422.460 2.897 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4cccc(Cl)c4)ncn2)CC3)CC1 ZINC001164795371 721520121 /nfs/dbraw/zinc/52/01/21/721520121.db2.gz NOQJNFYDWVTCLX-UHFFFAOYSA-N 1 0 423.952 2.761 20 0 HFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903420 721540910 /nfs/dbraw/zinc/54/09/10/721540910.db2.gz CLEWJYVAGMOJGQ-SJLPKXTDSA-N 1 0 414.481 2.913 20 0 HFADRO CCOC(=O)c1ncnc(Cl)c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908165 721549951 /nfs/dbraw/zinc/54/99/51/721549951.db2.gz PICDRKCGAIBWLA-ZBFHGGJFSA-N 1 0 420.872 2.788 20 0 HFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc[nH]c5nc(=S)sc4-5)CC[N@@H+]3C2)c1 ZINC001164906831 721550016 /nfs/dbraw/zinc/55/00/16/721550016.db2.gz LMVYHNBDPIWHCS-TZMCWYRMSA-N 1 0 403.508 2.856 20 0 HFADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1C ZINC001164801812 721559525 /nfs/dbraw/zinc/55/95/25/721559525.db2.gz HHNVYNMBASBMBY-URVUXULASA-N 1 0 410.518 2.830 20 0 HFADRO O=C1COc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc2N1 ZINC001164907843 721704537 /nfs/dbraw/zinc/70/45/37/721704537.db2.gz UTWNJHYPVKSCDW-FQEVSTJZSA-N 1 0 415.444 2.545 20 0 HFADRO NC(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904979 721705858 /nfs/dbraw/zinc/70/58/58/721705858.db2.gz GFYNEGWYBVLJLO-LJQANCHMSA-N 1 0 421.879 2.967 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cncc(Oc3cccc(F)c3)n2)CC1 ZINC001165009915 721740985 /nfs/dbraw/zinc/74/09/85/721740985.db2.gz JTFIPXCHAFYHJW-UHFFFAOYSA-N 1 0 413.497 2.931 20 0 HFADRO COC(=O)c1cccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ccc21 ZINC001165012250 721747497 /nfs/dbraw/zinc/74/74/97/721747497.db2.gz DPKLCTHCFLMSNU-UHFFFAOYSA-N 1 0 410.518 2.544 20 0 HFADRO Cc1cc(OCc2ccccc2)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165013258 721748481 /nfs/dbraw/zinc/74/84/81/721748481.db2.gz VZPPDVXAFSVMFQ-UHFFFAOYSA-N 1 0 423.561 2.887 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)cc(-c3ccncc3)n2)CC1 ZINC001165012453 721749748 /nfs/dbraw/zinc/74/97/48/721749748.db2.gz IAVGGFMVPJFLFQ-UHFFFAOYSA-N 1 0 414.941 2.715 20 0 HFADRO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@H]2OCCN3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001165015912 721781634 /nfs/dbraw/zinc/78/16/34/721781634.db2.gz BQSSEYLBYCBMLW-MQSCRBSSSA-N 1 0 411.550 2.717 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)nn3)C[C@H]21 ZINC001165030199 721827111 /nfs/dbraw/zinc/82/71/11/721827111.db2.gz YTQALYIZMJZERE-OZOXKJRCSA-N 1 0 406.534 2.501 20 0 HFADRO CON(C)C(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165022434 721827196 /nfs/dbraw/zinc/82/71/96/721827196.db2.gz HEUJRZVEIWOAIQ-CEWLAPEOSA-N 1 0 409.534 2.847 20 0 HFADRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164920694 721836834 /nfs/dbraw/zinc/83/68/34/721836834.db2.gz APEFEWFASFTRRY-NFBKMPQASA-N 1 0 408.550 2.730 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925703 721855254 /nfs/dbraw/zinc/85/52/54/721855254.db2.gz FQKWBKYAHLJGHN-NXEZZACHSA-N 1 0 416.744 2.595 20 0 HFADRO COc1cc2nc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2cc1OC ZINC001164925760 721858634 /nfs/dbraw/zinc/85/86/34/721858634.db2.gz FXLVXZFDSDZYMU-JKSUJKDBSA-N 1 0 405.930 2.515 20 0 HFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164932243 721861280 /nfs/dbraw/zinc/86/12/80/721861280.db2.gz XRZGZTINOZTFEA-IAGOWNOFSA-N 1 0 417.941 2.675 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927935 721866680 /nfs/dbraw/zinc/86/66/80/721866680.db2.gz XGQQDMDARFNSOH-RTWAWAEBSA-N 1 0 408.525 2.833 20 0 HFADRO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nc2C)cc1 ZINC001164931971 721887032 /nfs/dbraw/zinc/88/70/32/721887032.db2.gz GXELKADEYPUSSH-XZOQPEGZSA-N 1 0 409.578 2.907 20 0 HFADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nc2C)cc1 ZINC001164931953 721887159 /nfs/dbraw/zinc/88/71/59/721887159.db2.gz GXELKADEYPUSSH-DHIUTWEWSA-N 1 0 409.578 2.907 20 0 HFADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCC[C@H]([NH+](C)C)C2)C1=O ZINC001165036539 721894898 /nfs/dbraw/zinc/89/48/98/721894898.db2.gz SMLAWSBJIROADB-MGPUTAFESA-N 1 0 424.952 2.547 20 0 HFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[NH+](CCOc4ccccc4)CC3)c12 ZINC001165045043 721959019 /nfs/dbraw/zinc/95/90/19/721959019.db2.gz SIUYKWMDIXBUQN-UHFFFAOYSA-N 1 0 415.881 2.599 20 0 HFADRO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055755 722013086 /nfs/dbraw/zinc/01/30/86/722013086.db2.gz KNXWGEBSKQSRMZ-UHFFFAOYSA-N 1 0 422.533 2.738 20 0 HFADRO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956204 722020574 /nfs/dbraw/zinc/02/05/74/722020574.db2.gz XZYVNQWNLXAREZ-UHFFFAOYSA-N 1 0 409.534 2.911 20 0 HFADRO COC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C ZINC001164964843 722054414 /nfs/dbraw/zinc/05/44/14/722054414.db2.gz YNABAYGTPXFKSJ-UHFFFAOYSA-N 1 0 410.518 2.691 20 0 HFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ccnc(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164962207 722059398 /nfs/dbraw/zinc/05/93/98/722059398.db2.gz PUQOJIUUAQFJBS-UHFFFAOYSA-N 1 0 422.577 2.981 20 0 HFADRO CS(=O)(=O)N1C[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2c2ccccc21 ZINC001164972867 722090575 /nfs/dbraw/zinc/09/05/75/722090575.db2.gz ITYBMOWXECFMPX-UYAOXDASSA-N 1 0 412.559 2.677 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@H]3C2)c1 ZINC001164984053 722099719 /nfs/dbraw/zinc/09/97/19/722099719.db2.gz ROUQWTURJZFLBU-LEWJYISDSA-N 1 0 408.550 2.589 20 0 HFADRO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976324 722103088 /nfs/dbraw/zinc/10/30/88/722103088.db2.gz CPKRZQWLSNUEGJ-CVEARBPZSA-N 1 0 409.868 2.797 20 0 HFADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980083 722105711 /nfs/dbraw/zinc/10/57/11/722105711.db2.gz JFAYCLFYZAIYGA-HZPDHXFCSA-N 1 0 409.868 2.797 20 0 HFADRO CCOc1nc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981882 722109720 /nfs/dbraw/zinc/10/97/20/722109720.db2.gz VJYVAMXMZDSFPJ-IRXDYDNUSA-N 1 0 403.914 2.651 20 0 HFADRO COC(=O)c1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164983139 722115097 /nfs/dbraw/zinc/11/50/97/722115097.db2.gz YJNIHHSTUOJBCB-WMZOPIPTSA-N 1 0 416.909 2.644 20 0 HFADRO COc1ccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164979189 722118907 /nfs/dbraw/zinc/11/89/07/722118907.db2.gz PMPRURBEKZTDTH-AVRDEDQJSA-N 1 0 405.502 2.761 20 0 HFADRO COc1ccc2ncc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164979194 722119165 /nfs/dbraw/zinc/11/91/65/722119165.db2.gz PMPRURBEKZTDTH-PGRDOPGGSA-N 1 0 405.502 2.761 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3C2)c1 ZINC001164978155 722125943 /nfs/dbraw/zinc/12/59/43/722125943.db2.gz NPNZLRSQECQLDM-SFTDATJTSA-N 1 0 402.502 2.661 20 0 HFADRO COC(=O)/C=C\c1cc(C)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979655 722134099 /nfs/dbraw/zinc/13/40/99/722134099.db2.gz LRGBNHCYEVLNSO-UQMQSGJDSA-N 1 0 422.529 2.699 20 0 HFADRO COc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21 ZINC001164985484 722140106 /nfs/dbraw/zinc/14/01/06/722140106.db2.gz ZQCJXSLUOZHTIM-GHTZIAJQSA-N 1 0 405.502 2.761 20 0 HFADRO CC(C)n1cnc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164984579 722142737 /nfs/dbraw/zinc/14/27/37/722142737.db2.gz XEXKNKJOAVYVLG-AZUAARDMSA-N 1 0 407.522 2.530 20 0 HFADRO c1ccc(-c2cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)nc1 ZINC001164980908 722144471 /nfs/dbraw/zinc/14/44/71/722144471.db2.gz NQCZVJLXBRZLPR-KNQAVFIVSA-N 1 0 402.502 2.661 20 0 HFADRO c1csc(-c2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164972164 722156803 /nfs/dbraw/zinc/15/68/03/722156803.db2.gz GIWOWWJPKHJKLN-MSOLQXFVSA-N 1 0 408.531 2.722 20 0 HFADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4c5ccccc5[C@@H](OCC5CC5)[C@@H]4C3)nn2)CC1 ZINC001164979667 722170501 /nfs/dbraw/zinc/17/05/01/722170501.db2.gz VKDFPLGQNIAHQQ-PQNGQFLHSA-N 1 0 405.546 2.930 20 0 HFADRO O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ncccc1C[NH+]1CCCC1)CCO2 ZINC001164999758 722250132 /nfs/dbraw/zinc/25/01/32/722250132.db2.gz BNQQWJWIKKLYDJ-HSZRJFAPSA-N 1 0 410.518 2.782 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3nc(C4CC4)no3)ccn1)CCC2 ZINC001165003480 722257700 /nfs/dbraw/zinc/25/77/00/722257700.db2.gz DZMZPOHPWJJORE-UHFFFAOYSA-N 1 0 423.521 2.694 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]C[C@H](O)COc2cccc(F)c2)CC1 ZINC000790467800 1078045076 /nfs/dbraw/zinc/04/50/76/1078045076.db2.gz JIORDOYMOLZHOT-FQEVSTJZSA-N 1 0 402.466 2.956 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C[N@@H+]1Cc1ccccc1 ZINC000793006938 1078046947 /nfs/dbraw/zinc/04/69/47/1078046947.db2.gz PAFSPZHAIWSKAL-DZGCQCFKSA-N 1 0 417.307 2.562 20 0 HFADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)C(F)(F)C2CCOCC2)CC1)C(C)C ZINC000790514155 1078048524 /nfs/dbraw/zinc/04/85/24/1078048524.db2.gz PTQKFDQKZIORQZ-UHFFFAOYSA-N 1 0 417.541 2.522 20 0 HFADRO COCCN1[C@H]2CC[N@@H+]([C@@H]3CC[C@H](C)C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001170139013 1078049149 /nfs/dbraw/zinc/04/91/49/1078049149.db2.gz TVGSIFWRMWJHFU-RDGPPVDQSA-N 1 0 408.564 2.738 20 0 HFADRO CN(C)C(=O)CC[NH+]1CCC(NCc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790534651 1078053101 /nfs/dbraw/zinc/05/31/01/1078053101.db2.gz SWNSOUUFYMPCKB-UHFFFAOYSA-N 1 0 403.958 2.617 20 0 HFADRO COC(=O)c1nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1Br ZINC000772825832 1078054542 /nfs/dbraw/zinc/05/45/42/1078054542.db2.gz DFTKSRXSTGRIPE-DZGCQCFKSA-N 1 0 411.344 2.647 20 0 HFADRO C[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000793045174 1078055087 /nfs/dbraw/zinc/05/50/87/1078055087.db2.gz WPRSHEKTUULJQA-QUCCMNQESA-N 1 0 414.550 2.985 20 0 HFADRO O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793023221 1078058678 /nfs/dbraw/zinc/05/86/78/1078058678.db2.gz WVVWTQYEEZIMEN-FDFHNCONSA-N 1 0 409.534 2.671 20 0 HFADRO CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC000790543427 1078059852 /nfs/dbraw/zinc/05/98/52/1078059852.db2.gz RYNQCCREALLRQV-FQEVSTJZSA-N 1 0 404.530 2.980 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000793069034 1078062018 /nfs/dbraw/zinc/06/20/18/1078062018.db2.gz VECKWFXPBZKBOS-AWEZNQCLSA-N 1 0 409.328 2.696 20 0 HFADRO COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000790584516 1078062065 /nfs/dbraw/zinc/06/20/65/1078062065.db2.gz SLIQIWVRWKTBNA-RBUKOAKNSA-N 1 0 405.539 2.555 20 0 HFADRO Cc1c(Br)cccc1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000790629986 1078067750 /nfs/dbraw/zinc/06/77/50/1078067750.db2.gz GDQDMLBMDPZWFM-GOSISDBHSA-N 1 0 408.384 2.927 20 0 HFADRO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)CCOCC1)c1ccccc1 ZINC000790635438 1078070858 /nfs/dbraw/zinc/07/08/58/1078070858.db2.gz IKBGXHYHUIRVAK-UWJYYQICSA-N 1 0 408.502 2.591 20 0 HFADRO COC(=O)c1cn(CC[NH2+]Cc2c(Cl)n(Cc3ccccc3)nc2C(C)C)nn1 ZINC000790613604 1078076520 /nfs/dbraw/zinc/07/65/20/1078076520.db2.gz MKRJOHSBRWTEPY-UHFFFAOYSA-N 1 0 416.913 2.876 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2cccc(-n3cccc3)c2)cc1 ZINC000793111520 1078082469 /nfs/dbraw/zinc/08/24/69/1078082469.db2.gz UBWUHKJJEUEIIM-NRFANRHFSA-N 1 0 406.486 2.844 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000793107973 1078081051 /nfs/dbraw/zinc/08/10/51/1078081051.db2.gz SIKRSMSOAWBZIO-GOSISDBHSA-N 1 0 402.539 2.808 20 0 HFADRO CN(C(=O)c1nc(Br)ccc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000790626071 1078081220 /nfs/dbraw/zinc/08/12/20/1078081220.db2.gz XZMGFRAZIDVLRA-JTQLQIEISA-N 1 0 403.118 2.915 20 0 HFADRO Cc1ccc(N2C(=O)C(=O)N(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000772829085 1078100161 /nfs/dbraw/zinc/10/01/61/1078100161.db2.gz RBNJZAJONBRCGL-YLJYHZDGSA-N 1 0 410.518 2.505 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCC[N@H+](C)C1CCCC1)C(=O)OC(C)(C)C ZINC000790712628 1078104924 /nfs/dbraw/zinc/10/49/24/1078104924.db2.gz SVZAELURCOAVQM-RDJZCZTQSA-N 1 0 400.539 2.850 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)c2nc(Br)ccc2Br)CCSC1 ZINC000790720511 1078108190 /nfs/dbraw/zinc/10/81/90/1078108190.db2.gz CKSQYXJUSFCJDD-ZDUSSCGKSA-N 1 0 423.174 2.774 20 0 HFADRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1nc(Br)ccc1Br ZINC000790758697 1078112380 /nfs/dbraw/zinc/11/23/80/1078112380.db2.gz QEJPJXUCNMCLOH-SNVBAGLBSA-N 1 0 423.149 2.693 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NC[C@H](C)C[NH+](C)C)c1 ZINC000793260681 1078112641 /nfs/dbraw/zinc/11/26/41/1078112641.db2.gz OJDFLECOUUEHDA-AWEZNQCLSA-N 1 0 400.614 2.510 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793291320 1078120157 /nfs/dbraw/zinc/12/01/57/1078120157.db2.gz OXKXMWQLQUKNQW-ICSRJNTNSA-N 1 0 423.598 2.983 20 0 HFADRO C[NH+](C)CCCNC(=S)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000793308443 1078124280 /nfs/dbraw/zinc/12/42/80/1078124280.db2.gz RXAXINVNUPJGGP-RXVVDRJESA-N 1 0 417.550 2.993 20 0 HFADRO COC(=O)[C@]1(NC(=O)c2cnc(OC)c(Cl)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000790847312 1078146818 /nfs/dbraw/zinc/14/68/18/1078146818.db2.gz MLYYEOYQVPTSFG-NRFANRHFSA-N 1 0 417.893 2.681 20 0 HFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(C3CC3)cnc2Cl)c1 ZINC000793365787 1078149316 /nfs/dbraw/zinc/14/93/16/1078149316.db2.gz OFFPWFZEQLUJCE-UHFFFAOYSA-N 1 0 400.910 2.834 20 0 HFADRO C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000793373260 1078152846 /nfs/dbraw/zinc/15/28/46/1078152846.db2.gz JEGIMTVYFDHOGP-GOSISDBHSA-N 1 0 405.539 2.889 20 0 HFADRO CC1([NH+]2CCCC2)CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 ZINC001170145624 1078169490 /nfs/dbraw/zinc/16/94/90/1078169490.db2.gz GSQJELWDKKAVAQ-UHFFFAOYSA-N 1 0 413.562 2.781 20 0 HFADRO COc1ccc([C@H]2[C@H](COC(=O)C3CCN(c4cnccn4)CC3)CC[N@@H+]2C)cc1 ZINC000747120832 1078174151 /nfs/dbraw/zinc/17/41/51/1078174151.db2.gz OFQCYOKCJBWTMG-UGKGYDQZSA-N 1 0 410.518 2.938 20 0 HFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793418608 1078177673 /nfs/dbraw/zinc/17/76/73/1078177673.db2.gz YUTIOIJCVMRUPQ-IBGZPJMESA-N 1 0 424.586 2.696 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793476607 1078187188 /nfs/dbraw/zinc/18/71/88/1078187188.db2.gz WOEDPLXBJCMKGU-ICSRJNTNSA-N 1 0 422.614 2.508 20 0 HFADRO C[C@@H](CCC(C)(C)C)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000793543587 1078207265 /nfs/dbraw/zinc/20/72/65/1078207265.db2.gz AWYBTXPBFCRCOT-HNNXBMFYSA-N 1 0 420.597 2.595 20 0 HFADRO C[C@@]12CCN(CN3C(=O)C(=O)N(C45CC6CC(CC(C6)C4)C5)C3=O)C[C@@H]1C2(F)F ZINC000793547510 1078207808 /nfs/dbraw/zinc/20/78/08/1078207808.db2.gz UYCRCQMUQHIKFV-BUKGGLNISA-N 1 0 407.461 2.681 20 0 HFADRO COC[C@@H]([NH2+]CC1(COC)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000793565672 1078211500 /nfs/dbraw/zinc/21/15/00/1078211500.db2.gz QZQPVQCXIWCAHW-GOSISDBHSA-N 1 0 400.560 2.681 20 0 HFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793577760 1078213212 /nfs/dbraw/zinc/21/32/12/1078213212.db2.gz SYNKLRPZFWNBSW-ACRUOGEOSA-N 1 0 424.545 2.911 20 0 HFADRO CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793584160 1078214770 /nfs/dbraw/zinc/21/47/70/1078214770.db2.gz MTCMTTCHQNOAFU-GOSISDBHSA-N 1 0 410.971 2.879 20 0 HFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793585110 1078214880 /nfs/dbraw/zinc/21/48/80/1078214880.db2.gz LTCNBSHRPDEAPG-DZFGPLHGSA-N 1 0 424.545 2.769 20 0 HFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793585112 1078215251 /nfs/dbraw/zinc/21/52/51/1078215251.db2.gz LTCNBSHRPDEAPG-UIFIKXQLSA-N 1 0 424.545 2.769 20 0 HFADRO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cccc(I)c1 ZINC000793591250 1078217330 /nfs/dbraw/zinc/21/73/30/1078217330.db2.gz RFXLKRLPHPXAJM-UHFFFAOYSA-N 1 0 420.291 2.610 20 0 HFADRO COCC1(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793597699 1078219581 /nfs/dbraw/zinc/21/95/81/1078219581.db2.gz SIWQQALBCVUFSA-LJQANCHMSA-N 1 0 423.598 2.840 20 0 HFADRO O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793622665 1078230307 /nfs/dbraw/zinc/23/03/07/1078230307.db2.gz AHUYCHVAEBPDAA-LIKPIUCQSA-N 1 0 413.562 2.936 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000793625945 1078231523 /nfs/dbraw/zinc/23/15/23/1078231523.db2.gz WIBQXVQRMXHSLI-YADHBBJMSA-N 1 0 409.530 2.743 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793642190 1078238915 /nfs/dbraw/zinc/23/89/15/1078238915.db2.gz JAABTLKFJGTSJO-FHWLQOOXSA-N 1 0 423.557 2.629 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1 ZINC000793659468 1078242958 /nfs/dbraw/zinc/24/29/58/1078242958.db2.gz YPBGDFMQOBIDOE-LJQANCHMSA-N 1 0 423.557 2.904 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000793670308 1078246534 /nfs/dbraw/zinc/24/65/34/1078246534.db2.gz QCOKVHLXVXVBGP-GOSISDBHSA-N 1 0 419.529 2.734 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000793681070 1078252571 /nfs/dbraw/zinc/25/25/71/1078252571.db2.gz MNGXJHKYGGLVOZ-LJQANCHMSA-N 1 0 401.551 2.685 20 0 HFADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793710793 1078260641 /nfs/dbraw/zinc/26/06/41/1078260641.db2.gz UMFZLRUXWIGZEH-PXNSSMCTSA-N 1 0 411.550 2.710 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000793714729 1078262350 /nfs/dbraw/zinc/26/23/50/1078262350.db2.gz SYEVAEDNZKTTTD-AGIUHOORSA-N 1 0 417.394 2.566 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000793714740 1078262686 /nfs/dbraw/zinc/26/26/86/1078262686.db2.gz SYEVAEDNZKTTTD-UPJWGTAASA-N 1 0 417.394 2.566 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000793715505 1078262905 /nfs/dbraw/zinc/26/29/05/1078262905.db2.gz ZIQSQGPCZWJEQO-NVXWUHKLSA-N 1 0 400.548 2.950 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1cccc(COc2ccccc2)c1)[NH+]1CCCCC1 ZINC000793714628 1078262980 /nfs/dbraw/zinc/26/29/80/1078262980.db2.gz QNYOTVNZYTUXCZ-LJQANCHMSA-N 1 0 409.530 2.872 20 0 HFADRO Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000793716228 1078263294 /nfs/dbraw/zinc/26/32/94/1078263294.db2.gz ZBGBBUOHZOREOM-ROUUACIJSA-N 1 0 420.985 2.582 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)[NH+]1CCCCC1 ZINC000793719415 1078264101 /nfs/dbraw/zinc/26/41/01/1078264101.db2.gz DWMYVOKZBKVOBL-OXJNMPFZSA-N 1 0 414.937 2.931 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)[NH+]1CCCCC1 ZINC000793719417 1078264356 /nfs/dbraw/zinc/26/43/56/1078264356.db2.gz DWMYVOKZBKVOBL-UZLBHIALSA-N 1 0 414.937 2.931 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)N(C)Cc2ccn(-c3ccccc3)n2)[NH+](C)C)cc1 ZINC000793721946 1078265828 /nfs/dbraw/zinc/26/58/28/1078265828.db2.gz SVVADJUYJOULGM-QFIPXVFZSA-N 1 0 419.529 2.558 20 0 HFADRO CCCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000793726455 1078267586 /nfs/dbraw/zinc/26/75/86/1078267586.db2.gz RZNCGPWCUDVVRJ-OALUTQOASA-N 1 0 416.566 2.633 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000793693948 1078270411 /nfs/dbraw/zinc/27/04/11/1078270411.db2.gz AAUAVUQUVDLUIK-CQSZACIVSA-N 1 0 401.429 2.534 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000793694510 1078271599 /nfs/dbraw/zinc/27/15/99/1078271599.db2.gz MDZDQAJCXMQZKJ-KNQAVFIVSA-N 1 0 423.557 2.987 20 0 HFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 ZINC000793698195 1078272447 /nfs/dbraw/zinc/27/24/47/1078272447.db2.gz JBHBFIREKHKBHD-LJQANCHMSA-N 1 0 422.614 2.649 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1cc(Cl)ccc1OC(F)F)[NH+]1CCCCC1 ZINC000793701995 1078274427 /nfs/dbraw/zinc/27/44/27/1078274427.db2.gz RQKBQVVQJNEKMA-LBPRGKRZSA-N 1 0 403.857 2.548 20 0 HFADRO COc1cccc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1OC1CCCC1 ZINC000793703300 1078274942 /nfs/dbraw/zinc/27/49/42/1078274942.db2.gz UBKAEGLPZRNZTJ-QGZVFWFLSA-N 1 0 417.550 2.623 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N(CCc1ccccc1)Cc1ccncc1)[NH+]1CCCCC1 ZINC000793705473 1078275570 /nfs/dbraw/zinc/27/55/70/1078275570.db2.gz DJMBAUUIKMZITF-FQEVSTJZSA-N 1 0 408.546 2.644 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(Cn3nnn(-c4ccc(Br)cc4)c3=S)C2)C1 ZINC000793762623 1078281624 /nfs/dbraw/zinc/28/16/24/1078281624.db2.gz AJKJSILGNUGEHD-MRXNPFEDSA-N 1 0 409.357 2.546 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000793765268 1078281992 /nfs/dbraw/zinc/28/19/92/1078281992.db2.gz BINGOJAHDDSMHO-FQEVSTJZSA-N 1 0 415.578 2.993 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793767249 1078282880 /nfs/dbraw/zinc/28/28/80/1078282880.db2.gz FHTMOGRGFMZNBC-UNMCSNQZSA-N 1 0 423.557 2.859 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000793739322 1078286189 /nfs/dbraw/zinc/28/61/89/1078286189.db2.gz YMVXADNEZHAKHM-UXHICEINSA-N 1 0 419.541 2.619 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(Cn3nc(CN4CCCC4)n(-c4ccccc4)c3=S)C2)C1 ZINC000793745141 1078288485 /nfs/dbraw/zinc/28/84/85/1078288485.db2.gz MLRYAMIQRSVCTC-QFIPXVFZSA-N 1 0 412.607 2.984 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000793746325 1078288864 /nfs/dbraw/zinc/28/88/64/1078288864.db2.gz HRBDBIUPPULHGI-PKTZIBPZSA-N 1 0 423.557 2.991 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793798889 1078301757 /nfs/dbraw/zinc/30/17/57/1078301757.db2.gz MKTIZAIUCGUWFJ-CPJSRVTESA-N 1 0 423.557 2.907 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000793799994 1078302550 /nfs/dbraw/zinc/30/25/50/1078302550.db2.gz AQBHYYHSVXFWSD-MOPGFXCFSA-N 1 0 417.550 2.515 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000793790833 1078298117 /nfs/dbraw/zinc/29/81/17/1078298117.db2.gz NZCSFCPZRCDPRL-FQEVSTJZSA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793793435 1078299038 /nfs/dbraw/zinc/29/90/38/1078299038.db2.gz REKWOCGHOYNEPH-TUNNFDKTSA-N 1 0 423.557 2.905 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000793796095 1078300506 /nfs/dbraw/zinc/30/05/06/1078300506.db2.gz WRIOLTURTBAPHY-KRWDZBQOSA-N 1 0 403.548 2.530 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000793778697 1078309532 /nfs/dbraw/zinc/30/95/32/1078309532.db2.gz JNUOKNIUEMDIHI-IRLDBZIGSA-N 1 0 423.557 2.559 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000793778699 1078309703 /nfs/dbraw/zinc/30/97/03/1078309703.db2.gz JNUOKNIUEMDIHI-RBBKRZOGSA-N 1 0 423.557 2.559 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793845319 1078312728 /nfs/dbraw/zinc/31/27/28/1078312728.db2.gz YZALYCHSPYPDKA-NRFANRHFSA-N 1 0 423.557 2.559 20 0 HFADRO C[N@H+](CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)Cc1ccccc1 ZINC000793846627 1078312923 /nfs/dbraw/zinc/31/29/23/1078312923.db2.gz XTPJVHTYCYYCAR-JOCHJYFZSA-N 1 0 409.530 2.519 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000793867706 1078328428 /nfs/dbraw/zinc/32/84/28/1078328428.db2.gz QMVKWTBEEIGGGV-MRXNPFEDSA-N 1 0 415.559 2.507 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793873422 1078329999 /nfs/dbraw/zinc/32/99/99/1078329999.db2.gz AVWILERHXNGMPI-IRXDYDNUSA-N 1 0 405.539 2.880 20 0 HFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)C1 ZINC000793931373 1078341170 /nfs/dbraw/zinc/34/11/70/1078341170.db2.gz NIAREJMYPBZDGD-YJBOKZPZSA-N 1 0 400.910 2.645 20 0 HFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000793909566 1078334894 /nfs/dbraw/zinc/33/48/94/1078334894.db2.gz HUVUIWSGRSJRHO-XCDZQEORSA-N 1 0 421.607 2.645 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc4c(c3)CCC(=O)N4COC)cc2)CC1 ZINC000793909346 1078335103 /nfs/dbraw/zinc/33/51/03/1078335103.db2.gz BOYYNRKDOAEZLG-UHFFFAOYSA-N 1 0 422.529 2.964 20 0 HFADRO COCN1C(=O)CCc2cc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)ccc21 ZINC000793912088 1078336109 /nfs/dbraw/zinc/33/61/09/1078336109.db2.gz RRCGQJYBMDCNKU-UHFFFAOYSA-N 1 0 422.529 2.569 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000793913352 1078336254 /nfs/dbraw/zinc/33/62/54/1078336254.db2.gz QTJZPPCZCMVRCM-ICSRJNTNSA-N 1 0 403.567 2.504 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000793950641 1078344863 /nfs/dbraw/zinc/34/48/63/1078344863.db2.gz OZKFEACYBWWTHJ-HKUYNNGSSA-N 1 0 409.615 2.961 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000793951934 1078345956 /nfs/dbraw/zinc/34/59/56/1078345956.db2.gz RIWUCSJHUXHKFH-QWFCFKBJSA-N 1 0 407.599 2.572 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000793953448 1078346137 /nfs/dbraw/zinc/34/61/37/1078346137.db2.gz UYRGRQJFAQPIIJ-RBUKOAKNSA-N 1 0 407.599 2.716 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000793977392 1078350749 /nfs/dbraw/zinc/35/07/49/1078350749.db2.gz XLVWLESEAWJIHC-BZSNNMDCSA-N 1 0 409.571 2.734 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000793945077 1078354294 /nfs/dbraw/zinc/35/42/94/1078354294.db2.gz BVNKTITWSBZFDQ-BJLQDIEVSA-N 1 0 407.599 2.667 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001170441687 1078356345 /nfs/dbraw/zinc/35/63/45/1078356345.db2.gz JMJBBTCUNYWUDO-AUSIDOKSSA-N 1 0 410.518 2.755 20 0 HFADRO CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC000794020077 1078362424 /nfs/dbraw/zinc/36/24/24/1078362424.db2.gz SXXJQKCCOJIMCA-UHFFFAOYSA-N 1 0 406.504 2.872 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)c(C)cc1F ZINC000794052402 1078366439 /nfs/dbraw/zinc/36/64/39/1078366439.db2.gz VOTLWJNJLSQBAP-MRXNPFEDSA-N 1 0 420.506 2.992 20 0 HFADRO C[NH+](C)CCOc1cc(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000794178288 1078381496 /nfs/dbraw/zinc/38/14/96/1078381496.db2.gz RRZZEHSOOASHCL-UHFFFAOYSA-N 1 0 418.538 2.709 20 0 HFADRO CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1F ZINC000794207108 1078393330 /nfs/dbraw/zinc/39/33/30/1078393330.db2.gz CSOKHCJAYBJAMS-UHFFFAOYSA-N 1 0 411.543 2.649 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)NC2CC([NH+]3CCCCC3)C2)cs1 ZINC000794211141 1078394019 /nfs/dbraw/zinc/39/40/19/1078394019.db2.gz OUUSGMYFWTVXNW-UHFFFAOYSA-N 1 0 408.568 2.957 20 0 HFADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)C2=Cc3ccccc3OCC2)c2ccccc2O1 ZINC000772844095 1078394104 /nfs/dbraw/zinc/39/41/04/1078394104.db2.gz JNRWRVVAVNCQHS-KRWDZBQOSA-N 1 0 400.500 2.969 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000794339064 1078419122 /nfs/dbraw/zinc/41/91/22/1078419122.db2.gz LFHXEPBBBCMDIY-IBGZPJMESA-N 1 0 409.408 2.665 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000794366625 1078426981 /nfs/dbraw/zinc/42/69/81/1078426981.db2.gz SCEOISDBOSUWFI-HNNXBMFYSA-N 1 0 417.348 2.558 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000794340311 1078419742 /nfs/dbraw/zinc/41/97/42/1078419742.db2.gz VFVXGWMLIRQPEB-INIZCTEOSA-N 1 0 406.527 2.678 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3cc(Cn4cccn4)on3)cc2)CC1 ZINC000794346356 1078421829 /nfs/dbraw/zinc/42/18/29/1078421829.db2.gz IIBDEBMITMMPBN-UHFFFAOYSA-N 1 0 408.506 2.950 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000794387190 1078433432 /nfs/dbraw/zinc/43/34/32/1078433432.db2.gz WOLQMHQQSKWWGL-QZTJIDSGSA-N 1 0 408.926 2.589 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000794391952 1078434241 /nfs/dbraw/zinc/43/42/41/1078434241.db2.gz DNXPPULWZONCST-IKGGRYGDSA-N 1 0 413.559 2.736 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cccc(OCC(=O)OC)c2)c1 ZINC001129437512 1078464392 /nfs/dbraw/zinc/46/43/92/1078464392.db2.gz HBZPAEMXPJPOLQ-UHFFFAOYSA-N 1 0 413.474 2.771 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418910 1078468818 /nfs/dbraw/zinc/46/88/18/1078468818.db2.gz ZGTPOBJKUNAYOX-WOJBJXKFSA-N 1 0 421.969 2.603 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000804442093 1078506948 /nfs/dbraw/zinc/50/69/48/1078506948.db2.gz ZZXNYOWYIHUPNQ-UHFFFAOYSA-N 1 0 401.960 2.538 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C ZINC000804441839 1078507051 /nfs/dbraw/zinc/50/70/51/1078507051.db2.gz KQYWRHMIKNLDGO-UHFFFAOYSA-N 1 0 411.493 2.580 20 0 HFADRO C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447548 1078515115 /nfs/dbraw/zinc/51/51/15/1078515115.db2.gz GCUUHMREMDVYSR-OFNKIYASSA-N 1 0 421.541 2.685 20 0 HFADRO CC[C@H](C)CC[C@H](O)CC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804448999 1078516019 /nfs/dbraw/zinc/51/60/19/1078516019.db2.gz SXSSTALXIOCVKV-PMVMPFDFSA-N 1 0 401.595 2.982 20 0 HFADRO O=C(CN1CCOCC1=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001129527132 1078519682 /nfs/dbraw/zinc/51/96/82/1078519682.db2.gz FDGYDRMOPDINMY-QFIPXVFZSA-N 1 0 413.562 2.529 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)C1 ZINC001129802047 1078526546 /nfs/dbraw/zinc/52/65/46/1078526546.db2.gz XLALBZUUIKTHSM-PMACEKPBSA-N 1 0 401.551 2.635 20 0 HFADRO CSc1ccc(CCCC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC001129851564 1078533796 /nfs/dbraw/zinc/53/37/96/1078533796.db2.gz OYSXFXGKKZYRHS-UHFFFAOYSA-N 1 0 405.608 2.644 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1 ZINC000804695260 1078536454 /nfs/dbraw/zinc/53/64/54/1078536454.db2.gz FQHIVUDBDXJGJT-HPBDAGMYSA-N 1 0 421.632 2.728 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000804696092 1078537652 /nfs/dbraw/zinc/53/76/52/1078537652.db2.gz DZZMKCQBGTUZCW-XLIONFOSSA-N 1 0 409.530 2.742 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)c1 ZINC001129548609 1078539387 /nfs/dbraw/zinc/53/93/87/1078539387.db2.gz RBIWSVSYBGTURW-QFIPXVFZSA-N 1 0 400.523 2.602 20 0 HFADRO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001129554006 1078544523 /nfs/dbraw/zinc/54/45/23/1078544523.db2.gz NLEXHAPWZKDVDZ-UHFFFAOYSA-N 1 0 422.304 2.739 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CCN(S(C)(=O)=O)CC2)CC1 ZINC001170462285 1078547133 /nfs/dbraw/zinc/54/71/33/1078547133.db2.gz YXUOWNRSKDPJKX-SFHVURJKSA-N 1 0 408.564 2.874 20 0 HFADRO Cc1csc([C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000804500802 1078555178 /nfs/dbraw/zinc/55/51/78/1078555178.db2.gz QGQXTGKSHCPMPX-HRAATJIYSA-N 1 0 400.548 2.657 20 0 HFADRO CO[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@H]1CCOC1 ZINC001129564802 1078558339 /nfs/dbraw/zinc/55/83/39/1078558339.db2.gz ZRQIGJLIGYWYPC-KZKAQZJJSA-N 1 0 412.505 2.961 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000804525222 1078563829 /nfs/dbraw/zinc/56/38/29/1078563829.db2.gz IVLBKGRWSSRGBG-HZPDHXFCSA-N 1 0 411.543 2.553 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000804525098 1078563910 /nfs/dbraw/zinc/56/39/10/1078563910.db2.gz YFIVZOGYRJIZSJ-XJKSGUPXSA-N 1 0 405.955 2.972 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000804524575 1078564424 /nfs/dbraw/zinc/56/44/24/1078564424.db2.gz SBJMTDJGXCZGQD-DLBZAZTESA-N 1 0 420.554 2.618 20 0 HFADRO CC1(C)CO[C@@H](CCC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001129870859 1078567818 /nfs/dbraw/zinc/56/78/18/1078567818.db2.gz BEESWPUXBFVVMO-FQEVSTJZSA-N 1 0 401.551 2.595 20 0 HFADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001129599597 1078573659 /nfs/dbraw/zinc/57/36/59/1078573659.db2.gz NRFKBWHOCQIWLU-SQJMNOBHSA-N 1 0 405.542 2.863 20 0 HFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001129905189 1078577023 /nfs/dbraw/zinc/57/70/23/1078577023.db2.gz JWBIBPHZJAHGRK-SFHVURJKSA-N 1 0 422.367 2.854 20 0 HFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001129905656 1078577573 /nfs/dbraw/zinc/57/75/73/1078577573.db2.gz NZKRIJHVKOPXBG-HXUWFJFHSA-N 1 0 421.607 2.737 20 0 HFADRO O=C(c1ccc(-n2cnnn2)cn1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001129607693 1078578183 /nfs/dbraw/zinc/57/81/83/1078578183.db2.gz SBISSAJADGKCSA-UHFFFAOYSA-N 1 0 411.897 2.843 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1 ZINC001129914529 1078583122 /nfs/dbraw/zinc/58/31/22/1078583122.db2.gz VFZOZBBCTBANIN-UHFFFAOYSA-N 1 0 423.623 2.983 20 0 HFADRO CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC001129627929 1078601071 /nfs/dbraw/zinc/60/10/71/1078601071.db2.gz AJCHRTQSEWBBFG-LJQANCHMSA-N 1 0 405.564 2.591 20 0 HFADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000804759785 1078610716 /nfs/dbraw/zinc/61/07/16/1078610716.db2.gz APUZNNKPTRVMAA-UXHICEINSA-N 1 0 420.598 2.547 20 0 HFADRO O=C(/C=C/c1ccc[nH]1)NCCN(CC[NH+]1CCCCC1)C(=O)/C=C\c1ccc[nH]1 ZINC000804590479 1078624549 /nfs/dbraw/zinc/62/45/49/1078624549.db2.gz WSYBMHZOALJNOV-GOOGBFEESA-N 1 0 409.534 2.500 20 0 HFADRO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001129964280 1078638063 /nfs/dbraw/zinc/63/80/63/1078638063.db2.gz DOWPZNOBVOORKX-UHFFFAOYSA-N 1 0 412.460 2.683 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]23)CC1 ZINC001129962341 1078636395 /nfs/dbraw/zinc/63/63/95/1078636395.db2.gz XOMBQMZKFQXITI-IPMKNSEASA-N 1 0 420.395 2.867 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC001129962338 1078636479 /nfs/dbraw/zinc/63/64/79/1078636479.db2.gz XOMBQMZKFQXITI-CEXWTWQISA-N 1 0 420.395 2.867 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC001129964755 1078638499 /nfs/dbraw/zinc/63/84/99/1078638499.db2.gz XWJFYEMAQOYYRP-INIZCTEOSA-N 1 0 424.383 2.848 20 0 HFADRO CN(C)c1cc[n+](C(C(=O)c2ccc(C(F)(F)F)cn2)C(=S)NC2CC2)cc1 ZINC000804600786 1078645805 /nfs/dbraw/zinc/64/58/05/1078645805.db2.gz FNRCUNCRUKUFPA-UHFFFAOYSA-O 1 0 409.457 2.897 20 0 HFADRO COCC[NH+](CCOC)C1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000804818480 1078660157 /nfs/dbraw/zinc/66/01/57/1078660157.db2.gz HDCAZYJCCKSKBJ-UHFFFAOYSA-N 1 0 424.485 2.544 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cn1 ZINC000747216925 1078660168 /nfs/dbraw/zinc/66/01/68/1078660168.db2.gz FIZOCKHAMJUHSR-UHFFFAOYSA-N 1 0 404.474 2.924 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(-n2cncn2)c(C)c1 ZINC001129970809 1078664508 /nfs/dbraw/zinc/66/45/08/1078664508.db2.gz FXDHICNTEFXMCE-FYYLOGMGSA-N 1 0 419.529 2.843 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000804827169 1078666813 /nfs/dbraw/zinc/66/68/13/1078666813.db2.gz LZBBLTOGQWEPDQ-HXUWFJFHSA-N 1 0 416.953 2.831 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804831004 1078671777 /nfs/dbraw/zinc/67/17/77/1078671777.db2.gz CKLWIXHSQNCFDW-DENIHFKCSA-N 1 0 422.573 2.786 20 0 HFADRO Cc1cc(OCCCC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)ccc1Cl ZINC001129719605 1078672178 /nfs/dbraw/zinc/67/21/78/1078672178.db2.gz FKQAEWUFTQPQHK-UHFFFAOYSA-N 1 0 423.985 2.720 20 0 HFADRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C(C)C ZINC001170459757 1078685271 /nfs/dbraw/zinc/68/52/71/1078685271.db2.gz HVBMQNBPJUSDMW-NRFANRHFSA-N 1 0 410.518 2.970 20 0 HFADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC001170459768 1078690001 /nfs/dbraw/zinc/69/00/01/1078690001.db2.gz IFEWVVNRDSHXSY-UHFFFAOYSA-N 1 0 410.562 2.609 20 0 HFADRO COC1(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804870231 1078693504 /nfs/dbraw/zinc/69/35/04/1078693504.db2.gz USTQAKHKAKICLU-UHFFFAOYSA-N 1 0 423.554 2.976 20 0 HFADRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCc3c(F)cccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000804644047 1078698206 /nfs/dbraw/zinc/69/82/06/1078698206.db2.gz AGCJTHDABCDXDQ-FXAWDEMLSA-N 1 0 409.505 2.880 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643905 1078698872 /nfs/dbraw/zinc/69/88/72/1078698872.db2.gz SPRNFSJDDCTOJL-VQIMIIECSA-N 1 0 414.937 2.563 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000804645725 1078701667 /nfs/dbraw/zinc/70/16/67/1078701667.db2.gz XBHGWRYIURJUMD-NLWGTHIKSA-N 1 0 407.555 2.537 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCN3c3ccccc3)cc2)CC1 ZINC001129742856 1078715688 /nfs/dbraw/zinc/71/56/88/1078715688.db2.gz VSHAQDGXTBNCHU-QHCPKHFHSA-N 1 0 420.557 2.669 20 0 HFADRO COc1coc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)cc1=O ZINC001129976037 1078719821 /nfs/dbraw/zinc/71/98/21/1078719821.db2.gz SFRVNYHJLIXNAL-UHFFFAOYSA-N 1 0 424.295 2.661 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000804912252 1078734831 /nfs/dbraw/zinc/73/48/31/1078734831.db2.gz SNFVNXAPLXAPSM-CRAIPNDOSA-N 1 0 407.477 2.880 20 0 HFADRO CCC(CC)[C@@H](CNC(=O)NCc1cccc(NC(=O)OC)c1)[NH+]1CCOCC1 ZINC000804902459 1078758046 /nfs/dbraw/zinc/75/80/46/1078758046.db2.gz HEIBJFLIMSDOGL-LJQANCHMSA-N 1 0 406.527 2.801 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)no1 ZINC000804944391 1078771817 /nfs/dbraw/zinc/77/18/17/1078771817.db2.gz PWDLBMPDWKAUDI-DYESRHJHSA-N 1 0 410.518 2.988 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000804930129 1078786472 /nfs/dbraw/zinc/78/64/72/1078786472.db2.gz CKAYPFAKRBXEQE-NRFANRHFSA-N 1 0 416.566 2.563 20 0 HFADRO CC(C)N(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130057685 1078881045 /nfs/dbraw/zinc/88/10/45/1078881045.db2.gz LRJNFOLYYYSVEJ-GGAORHGYSA-N 1 0 420.557 2.942 20 0 HFADRO CC(C)N(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130057620 1078881196 /nfs/dbraw/zinc/88/11/96/1078881196.db2.gz JDOBFPHGNOLHMD-QZTJIDSGSA-N 1 0 411.468 2.909 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000805110838 1078895179 /nfs/dbraw/zinc/89/51/79/1078895179.db2.gz KWCBHLSQTQIDQN-ZYHUDNBSSA-N 1 0 408.749 2.745 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1Cl ZINC000805074753 1078905993 /nfs/dbraw/zinc/90/59/93/1078905993.db2.gz ORXHYFIWKMGXOZ-MOPGFXCFSA-N 1 0 406.958 2.597 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1Cl ZINC000805074756 1078906127 /nfs/dbraw/zinc/90/61/27/1078906127.db2.gz ORXHYFIWKMGXOZ-OALUTQOASA-N 1 0 406.958 2.597 20 0 HFADRO COC[C@@]1(CNC(=O)NCC[N@H+](C)C2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805079580 1078910498 /nfs/dbraw/zinc/91/04/98/1078910498.db2.gz XQHLUARHDWZPGA-NRFANRHFSA-N 1 0 412.575 2.576 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(NC(=O)OC)c2)[C@H](C)C1 ZINC000805124517 1078923124 /nfs/dbraw/zinc/92/31/24/1078923124.db2.gz OTISDUVQQUIHQK-VQIMIIECSA-N 1 0 406.527 2.801 20 0 HFADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747230361 1078949079 /nfs/dbraw/zinc/94/90/79/1078949079.db2.gz QCAYQHYXOWSQJP-AKFKNWHVSA-N 1 0 423.557 2.503 20 0 HFADRO C[C@]1(CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000805199378 1078952706 /nfs/dbraw/zinc/95/27/06/1078952706.db2.gz ZAHJVUHNXHPXGT-HYBUGGRVSA-N 1 0 406.530 2.568 20 0 HFADRO C[NH+](C)CCOc1cc(C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)ccn1 ZINC000805299739 1078994749 /nfs/dbraw/zinc/99/47/49/1078994749.db2.gz AGKKFVHAIZXLRL-GOSISDBHSA-N 1 0 420.554 2.932 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000805332607 1079022738 /nfs/dbraw/zinc/02/27/38/1079022738.db2.gz ZZEPKJNJHFAQAE-SWLSCSKDSA-N 1 0 415.353 2.551 20 0 HFADRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000805308304 1079031221 /nfs/dbraw/zinc/03/12/21/1079031221.db2.gz CKLZPKDZPDPDBB-IBGZPJMESA-N 1 0 400.523 2.746 20 0 HFADRO COC(=O)c1ncc(=O)[nH]c1Nc1cc(C)c2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001170480004 1079044156 /nfs/dbraw/zinc/04/41/56/1079044156.db2.gz YPDRMBJTPWUYAC-UHFFFAOYSA-N 1 0 405.458 2.562 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000805359004 1079045510 /nfs/dbraw/zinc/04/55/10/1079045510.db2.gz WDZVHJBRKFGMEK-XZOQPEGZSA-N 1 0 411.546 2.873 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC000805427546 1079058773 /nfs/dbraw/zinc/05/87/73/1079058773.db2.gz FKGYXSVYUSPZHJ-AWEZNQCLSA-N 1 0 409.939 2.845 20 0 HFADRO CCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[nH]1 ZINC001130210189 1079087630 /nfs/dbraw/zinc/08/76/30/1079087630.db2.gz ZDNKVRZUVVRQHH-SPOLIRPYSA-N 1 0 401.555 2.676 20 0 HFADRO O=S(=O)(/C=C\c1ccc(F)cc1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000747244159 1079099302 /nfs/dbraw/zinc/09/93/02/1079099302.db2.gz ZEDLMXCKFQTROB-YVLHZVERSA-N 1 0 403.523 2.534 20 0 HFADRO CNC(=O)c1cncc(/C=C\C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001130257196 1079146340 /nfs/dbraw/zinc/14/63/40/1079146340.db2.gz MUCAZIMHHFPKIK-DYYZXQNHSA-N 1 0 406.530 2.966 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000805636085 1079189611 /nfs/dbraw/zinc/18/96/11/1079189611.db2.gz KNXMKYJTOAQBAP-GUDVDZBRSA-N 1 0 419.566 2.711 20 0 HFADRO Cc1cccc(C)c1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000805682714 1079217488 /nfs/dbraw/zinc/21/74/88/1079217488.db2.gz WWLXRPSTNNRQAM-UHFFFAOYSA-N 1 0 403.473 2.788 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000805747841 1079229426 /nfs/dbraw/zinc/22/94/26/1079229426.db2.gz HVDDFTLPKBXBDB-MJGOQNOKSA-N 1 0 409.571 2.783 20 0 HFADRO O=S(=O)(c1cccc2cnccc21)N1CCC[N@@H+](CCCCCCCO)CC1 ZINC000805749321 1079229696 /nfs/dbraw/zinc/22/96/96/1079229696.db2.gz WPXGQFGCQNMCFB-UHFFFAOYSA-N 1 0 405.564 2.874 20 0 HFADRO CC(C)(C)C[C@@H](O)CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000805727869 1079237748 /nfs/dbraw/zinc/23/77/48/1079237748.db2.gz VTQLLACGNXMJSV-SFHVURJKSA-N 1 0 408.564 2.904 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805792895 1079257843 /nfs/dbraw/zinc/25/78/43/1079257843.db2.gz IFTRIIVKPQYZIL-QHCPKHFHSA-N 1 0 422.614 2.698 20 0 HFADRO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795565 1079259788 /nfs/dbraw/zinc/25/97/88/1079259788.db2.gz PZZPHLKSJAEDFW-BTYIYWSLSA-N 1 0 410.559 2.722 20 0 HFADRO CC(C)(C)OC(=O)N1CCn2c(nnc2C2CC[NH+](CCOC3CCC3)CC2)C1 ZINC000805756288 1079260812 /nfs/dbraw/zinc/26/08/12/1079260812.db2.gz XMMMVXCWOSHHGJ-UHFFFAOYSA-N 1 0 405.543 2.777 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000805832537 1079271951 /nfs/dbraw/zinc/27/19/51/1079271951.db2.gz HDYVLOJGOWMEAI-UHFFFAOYSA-N 1 0 416.566 2.815 20 0 HFADRO CC[C@@H]1CN(C(=O)NCC2CCN(C(=O)OC)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000805833825 1079272444 /nfs/dbraw/zinc/27/24/44/1079272444.db2.gz HFHDKSQUTFQJSS-HXUWFJFHSA-N 1 0 402.539 2.771 20 0 HFADRO C[C@@H]1[C@H](C)N(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C[N@@H+]1C ZINC001130369494 1079267793 /nfs/dbraw/zinc/26/77/93/1079267793.db2.gz FPSKLIKXMNORAY-CLWJZODNSA-N 1 0 414.550 2.903 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000805766872 1079269859 /nfs/dbraw/zinc/26/98/59/1079269859.db2.gz CWPHZWPOIRWWQY-IWQHBPENSA-N 1 0 400.567 2.797 20 0 HFADRO O=C(C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1)N1CCC2(CC1)OCCO2 ZINC000805838625 1079276692 /nfs/dbraw/zinc/27/66/92/1079276692.db2.gz ZSDMWQWQQBJXCP-UHFFFAOYSA-N 1 0 401.482 2.852 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1F ZINC000747270582 1079277653 /nfs/dbraw/zinc/27/76/53/1079277653.db2.gz LXHFNVLKSPBSPE-HOTGVXAUSA-N 1 0 412.527 2.887 20 0 HFADRO CCc1ccc(N2CCN(C(=O)C(=O)NCCCCC[NH+]3CCCCC3)CC2)cc1 ZINC000805818107 1079290893 /nfs/dbraw/zinc/29/08/93/1079290893.db2.gz JNRJETJJMFLCKR-UHFFFAOYSA-N 1 0 414.594 2.670 20 0 HFADRO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)c(C)c1OC ZINC000805830686 1079299448 /nfs/dbraw/zinc/29/94/48/1079299448.db2.gz MYSYGQCYEBEUHJ-QVKFZJNVSA-N 1 0 407.532 2.974 20 0 HFADRO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)c(C)c1OC ZINC000805830687 1079299515 /nfs/dbraw/zinc/29/95/15/1079299515.db2.gz MYSYGQCYEBEUHJ-VFNWGFHPSA-N 1 0 407.532 2.974 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000805858803 1079305247 /nfs/dbraw/zinc/30/52/47/1079305247.db2.gz HRSRGVWQZXMAJA-PGRDOPGGSA-N 1 0 424.586 2.672 20 0 HFADRO COC[C@]1(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000805862427 1079309307 /nfs/dbraw/zinc/30/93/07/1079309307.db2.gz XIYZYZLGGDIPTO-NPPFBWRTSA-N 1 0 424.586 2.671 20 0 HFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000747276888 1079335087 /nfs/dbraw/zinc/33/50/87/1079335087.db2.gz HRSJBCOIMVCBFI-MDWZMJQESA-N 1 0 417.369 2.792 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1Cl ZINC000747276184 1079340271 /nfs/dbraw/zinc/34/02/71/1079340271.db2.gz DIRVGTBQEUQRGC-GHMZBOCLSA-N 1 0 409.335 2.883 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C(C)(C)C1 ZINC001130421266 1079340668 /nfs/dbraw/zinc/34/06/68/1079340668.db2.gz NCZVLXPYKSFEJO-VGOFRKELSA-N 1 0 409.571 2.593 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)CCC2 ZINC000805940542 1079343739 /nfs/dbraw/zinc/34/37/39/1079343739.db2.gz STGMLMGMVQUMJH-FXAWDEMLSA-N 1 0 411.550 2.594 20 0 HFADRO CCOC(=O)N1CCC(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000747283614 1079357217 /nfs/dbraw/zinc/35/72/17/1079357217.db2.gz KELUFYURGNQARC-SFHVURJKSA-N 1 0 423.579 2.534 20 0 HFADRO CC1(C(=O)OC[C@H]2CN(c3ncccn3)CCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000805931124 1079360286 /nfs/dbraw/zinc/36/02/86/1079360286.db2.gz DUYKZJLKMRUONI-HXUWFJFHSA-N 1 0 410.518 2.527 20 0 HFADRO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001130463987 1079367439 /nfs/dbraw/zinc/36/74/39/1079367439.db2.gz XNBIEZONJINZSP-KDURUIRLSA-N 1 0 413.543 2.764 20 0 HFADRO CC[C@@H]1CC(N([C@@H]2CCC[NH2+]C2)S(C)(=O)=O)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170495856 1079391386 /nfs/dbraw/zinc/39/13/86/1079391386.db2.gz DJMPSGXFCNKTSI-BRWVUGGUSA-N 1 0 417.616 2.957 20 0 HFADRO O=C1OCCN1c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000747292170 1079393181 /nfs/dbraw/zinc/39/31/81/1079393181.db2.gz VUWIDFRKUXCDCX-UHFFFAOYSA-N 1 0 407.536 2.719 20 0 HFADRO CCc1nc([C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000806110581 1079440404 /nfs/dbraw/zinc/44/04/04/1079440404.db2.gz ICABEXBQJNJCCC-ZHRRBRCNSA-N 1 0 414.575 2.911 20 0 HFADRO CN(C)S(=O)(=O)C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(F)(F)F ZINC000806120288 1079449448 /nfs/dbraw/zinc/44/94/48/1079449448.db2.gz TUVXKOGOSACTJD-INIZCTEOSA-N 1 0 422.469 2.652 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[N@@H+](C)CC(C)C)CC2)cc1C ZINC001130523633 1079459110 /nfs/dbraw/zinc/45/91/10/1079459110.db2.gz HIEUQLWVHXAIKG-UHFFFAOYSA-N 1 0 423.623 2.798 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001130523685 1079459006 /nfs/dbraw/zinc/45/90/06/1079459006.db2.gz IUZFRKJCCLZHIA-UHFFFAOYSA-N 1 0 409.596 2.959 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)NCCc3nc(-c4ccccc4)n[nH]3)cc2)CC1 ZINC000806153046 1079468325 /nfs/dbraw/zinc/46/83/25/1079468325.db2.gz IIMWXKPRRUQSQN-UHFFFAOYSA-N 1 0 419.533 2.978 20 0 HFADRO Cc1ccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cc1-c1nn[nH]n1 ZINC001170500881 1079486918 /nfs/dbraw/zinc/48/69/18/1079486918.db2.gz SJVHVPOKCCVARD-KLAILNCOSA-N 1 0 405.506 2.547 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NCc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@H](C)C1 ZINC000787301664 1076749466 /nfs/dbraw/zinc/74/94/66/1076749466.db2.gz CBIXICIIMRNXTL-IIBYNOLFSA-N 1 0 415.534 2.978 20 0 HFADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC1CC[NH+](Cc3ccco3)CC1)C2=O ZINC000772698694 1076756356 /nfs/dbraw/zinc/75/63/56/1076756356.db2.gz OHTWRQPHFJDFQH-KSFYIVLOSA-N 1 0 417.506 2.536 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787322276 1076765731 /nfs/dbraw/zinc/76/57/31/1076765731.db2.gz CZESIGJXWQVRAU-FGTMMUONSA-N 1 0 424.586 2.717 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)n[nH]2)C1 ZINC000787370323 1076777788 /nfs/dbraw/zinc/77/77/88/1076777788.db2.gz PMMHVQYUDQNOJH-AWEZNQCLSA-N 1 0 423.477 2.967 20 0 HFADRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000787337560 1076783179 /nfs/dbraw/zinc/78/31/79/1076783179.db2.gz RKXJODVHANARFD-HNNXBMFYSA-N 1 0 420.558 2.639 20 0 HFADRO CC(C)C[C@@H](CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)[NH+](C)C ZINC000787350049 1076790247 /nfs/dbraw/zinc/79/02/47/1076790247.db2.gz VHFSKRVHZKOOPN-CVEARBPZSA-N 1 0 407.559 2.840 20 0 HFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(F)(F)c2ncccc2C)CC1 ZINC000787349806 1076790500 /nfs/dbraw/zinc/79/05/00/1076790500.db2.gz QQVOHDHUGWDZNP-UHFFFAOYSA-N 1 0 410.509 2.569 20 0 HFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCC(=O)Nc1sccc1C(N)=O ZINC000746677772 1076791737 /nfs/dbraw/zinc/79/17/37/1076791737.db2.gz UGVCBQSFCLHTLI-INIZCTEOSA-N 1 0 400.548 2.772 20 0 HFADRO O=C(OCC1CC[NH+](Cc2ccco2)CC1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000772699707 1076792136 /nfs/dbraw/zinc/79/21/36/1076792136.db2.gz XBKYEOJELBXKNE-UHFFFAOYSA-N 1 0 418.515 2.789 20 0 HFADRO COCCOCCOCCOCCOCCOCC[NH2+][C@@H](C)CCCC(C)C ZINC001170072594 1076802873 /nfs/dbraw/zinc/80/28/73/1076802873.db2.gz AMGXJXGDLKWIFV-NRFANRHFSA-N 1 0 407.592 2.520 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)[C@@H](C)C1 ZINC000787387543 1076804690 /nfs/dbraw/zinc/80/46/90/1076804690.db2.gz MMVMTQPGLHURHS-FCEWJHQRSA-N 1 0 419.570 2.936 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000787391105 1076805916 /nfs/dbraw/zinc/80/59/16/1076805916.db2.gz FFEFEBNTMYXCIS-UHFFFAOYSA-N 1 0 423.583 2.743 20 0 HFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393003 1076806047 /nfs/dbraw/zinc/80/60/47/1076806047.db2.gz FSKHECOXIGVGPI-HOTGVXAUSA-N 1 0 405.543 2.690 20 0 HFADRO C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C[C@H](CO)O1 ZINC000787407116 1076809934 /nfs/dbraw/zinc/80/99/34/1076809934.db2.gz RVMYASTVTXCLME-YLJYHZDGSA-N 1 0 418.538 2.505 20 0 HFADRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1 ZINC000746685409 1076818555 /nfs/dbraw/zinc/81/85/55/1076818555.db2.gz BHXOUGFLGAAAJS-FCHUYYIVSA-N 1 0 409.530 2.982 20 0 HFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787490805 1076823943 /nfs/dbraw/zinc/82/39/43/1076823943.db2.gz SUCZLULQESPNSC-MRXNPFEDSA-N 1 0 417.554 2.835 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 ZINC000787506282 1076828862 /nfs/dbraw/zinc/82/88/62/1076828862.db2.gz GMIMVEQSYNLEOW-FQEVSTJZSA-N 1 0 411.481 2.726 20 0 HFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000787508385 1076830296 /nfs/dbraw/zinc/83/02/96/1076830296.db2.gz JVGWCVPUZWTQBH-ZDUSSCGKSA-N 1 0 404.417 2.691 20 0 HFADRO Cc1noc(-c2ccc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)cc2)c1N ZINC001170074930 1076862081 /nfs/dbraw/zinc/86/20/81/1076862081.db2.gz NLYXPRWNFIINQK-UHFFFAOYSA-N 1 0 423.498 2.934 20 0 HFADRO CCCOc1ncc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc1C ZINC001170074957 1076863149 /nfs/dbraw/zinc/86/31/49/1076863149.db2.gz PACABHHYOUPCCA-UHFFFAOYSA-N 1 0 400.504 2.881 20 0 HFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746697332 1076864290 /nfs/dbraw/zinc/86/42/90/1076864290.db2.gz SFKWVAWNHRBMPL-KRWDZBQOSA-N 1 0 422.554 2.808 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ccc([C@H](C)O)cc1)c1ccsc1 ZINC000787615255 1076879119 /nfs/dbraw/zinc/87/91/19/1076879119.db2.gz IEXMSQBDNLVKAZ-KXBFYZLASA-N 1 0 403.548 2.617 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2nc(C)ncc21)c1ccsc1 ZINC000787617844 1076880386 /nfs/dbraw/zinc/88/03/86/1076880386.db2.gz UBNIZYQNFCJVID-MOPGFXCFSA-N 1 0 415.563 2.539 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000746700973 1076881369 /nfs/dbraw/zinc/88/13/69/1076881369.db2.gz BQOVDJAZFKSGHU-TYCQWZJGSA-N 1 0 408.564 2.880 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1cc(C)cc(Cl)n1)Cc1ccccc1 ZINC000787628078 1076883246 /nfs/dbraw/zinc/88/32/46/1076883246.db2.gz UCPMAWINBSGRIH-IBGZPJMESA-N 1 0 416.953 2.729 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000787630933 1076884170 /nfs/dbraw/zinc/88/41/70/1076884170.db2.gz FFDXCNHBHUIUHH-IBGZPJMESA-N 1 0 414.937 2.647 20 0 HFADRO CC[C@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)on1)[N@@H+]1CCc2ccccc2C1 ZINC000787632929 1076885223 /nfs/dbraw/zinc/88/52/23/1076885223.db2.gz UNVUSPDMUAETGJ-TZIWHRDSSA-N 1 0 410.518 2.600 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)CCC2 ZINC000787637910 1076891786 /nfs/dbraw/zinc/89/17/86/1076891786.db2.gz LYDISABWSBULCI-RBUKOAKNSA-N 1 0 415.513 2.516 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)CCC2 ZINC000787642397 1076893298 /nfs/dbraw/zinc/89/32/98/1076893298.db2.gz WOERHEIMJSTTRL-IAGOWNOFSA-N 1 0 404.511 2.503 20 0 HFADRO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)c1 ZINC000787677496 1076908362 /nfs/dbraw/zinc/90/83/62/1076908362.db2.gz YTAOLILTPKKDIE-UHFFFAOYSA-N 1 0 414.510 2.748 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000787680044 1076908947 /nfs/dbraw/zinc/90/89/47/1076908947.db2.gz ZZQXBWLAUVFXKA-ZHALLVOQSA-N 1 0 409.571 2.734 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(N4CCNC4=O)ccc3C)cc2)CC1 ZINC000787693379 1076914468 /nfs/dbraw/zinc/91/44/68/1076914468.db2.gz KNNDDBDMNJSMFW-UHFFFAOYSA-N 1 0 407.518 2.919 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000787703879 1076919175 /nfs/dbraw/zinc/91/91/75/1076919175.db2.gz DWKVODKOSZDSKF-AUSIDOKSSA-N 1 0 417.550 2.641 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCc2ccc(NC(C)=O)cc2)CCN1C(=O)OC(C)(C)C ZINC000787751116 1076926368 /nfs/dbraw/zinc/92/63/68/1076926368.db2.gz JTZHNRSOZCOTNB-RTBURBONSA-N 1 0 419.522 2.718 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752528 1076926777 /nfs/dbraw/zinc/92/67/77/1076926777.db2.gz VPBFAUWFIYKNMY-DHIUTWEWSA-N 1 0 423.557 2.830 20 0 HFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000787753399 1076927337 /nfs/dbraw/zinc/92/73/37/1076927337.db2.gz YLMPEWKVXXLYJI-ZIAGYGMSSA-N 1 0 401.429 2.753 20 0 HFADRO CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000787759425 1076929082 /nfs/dbraw/zinc/92/90/82/1076929082.db2.gz GHSDAXMEAFVFHF-BPQIPLTHSA-N 1 0 413.559 2.904 20 0 HFADRO CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000787759429 1076929242 /nfs/dbraw/zinc/92/92/42/1076929242.db2.gz GHSDAXMEAFVFHF-KBAYOESNSA-N 1 0 413.559 2.904 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000787761561 1076930250 /nfs/dbraw/zinc/93/02/50/1076930250.db2.gz KTIBMXVYSYZCGM-YUTCNCBUSA-N 1 0 406.449 2.847 20 0 HFADRO CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787729508 1076932959 /nfs/dbraw/zinc/93/29/59/1076932959.db2.gz INMOTJJYPWOOLW-HRAATJIYSA-N 1 0 413.559 2.736 20 0 HFADRO Cc1ccc(-n2c(Cl)c(CNC[C@H](C)C[NH+]3CCOCC3)nc2N(C)C)cc1 ZINC000787771894 1076942193 /nfs/dbraw/zinc/94/21/93/1076942193.db2.gz GDILPBHCLHHOGY-KRWDZBQOSA-N 1 0 405.974 2.958 20 0 HFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787833793 1076957538 /nfs/dbraw/zinc/95/75/38/1076957538.db2.gz AGKDDZCONLZNHG-HXUWFJFHSA-N 1 0 405.901 2.841 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000787852186 1076964333 /nfs/dbraw/zinc/96/43/33/1076964333.db2.gz PEHBRLCMKHBCQV-SFHVURJKSA-N 1 0 414.575 2.562 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OCc2ccccn2)c1)[NH+]1CCCCC1 ZINC000787869807 1076967642 /nfs/dbraw/zinc/96/76/42/1076967642.db2.gz DHKAERZRYOAOMY-OALUTQOASA-N 1 0 424.545 2.828 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000787873505 1076969495 /nfs/dbraw/zinc/96/94/95/1076969495.db2.gz HCWYKHMUGJQPLS-UHFFFAOYSA-N 1 0 418.538 2.546 20 0 HFADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)cnc2Cl)[NH+]2CCCC2)cc1 ZINC000787873920 1076970538 /nfs/dbraw/zinc/97/05/38/1076970538.db2.gz PHWILQZXSDVQCC-GOSISDBHSA-N 1 0 416.909 2.944 20 0 HFADRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787877830 1076973807 /nfs/dbraw/zinc/97/38/07/1076973807.db2.gz DIBVBBUUXOPEES-HOTGVXAUSA-N 1 0 405.543 2.737 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000787883581 1076975831 /nfs/dbraw/zinc/97/58/31/1076975831.db2.gz ZLBWEBQQPIZCEK-INIZCTEOSA-N 1 0 422.529 2.863 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000787893428 1076980886 /nfs/dbraw/zinc/98/08/86/1076980886.db2.gz FFCNCDKRHFMBAN-RTBURBONSA-N 1 0 421.607 2.791 20 0 HFADRO O=C(COC(=O)c1cnn(CC(F)(F)F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000787855870 1076982528 /nfs/dbraw/zinc/98/25/28/1076982528.db2.gz KPGRHZBIESVBCM-UHFFFAOYSA-N 1 0 424.423 2.514 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)Cc3ccsc3C)CC2)cc1 ZINC000787860541 1076984021 /nfs/dbraw/zinc/98/40/21/1076984021.db2.gz BQCRDEKVPXSLOX-UHFFFAOYSA-N 1 0 416.543 2.885 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)Cc1ccn(-c2ccccc2)n1 ZINC000787903927 1076989002 /nfs/dbraw/zinc/98/90/02/1076989002.db2.gz ORYWIAHTBRMOMW-LJQANCHMSA-N 1 0 411.550 2.602 20 0 HFADRO CC(C)CCC[C@H](C)[N@@H+]1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC001170079625 1076995283 /nfs/dbraw/zinc/99/52/83/1076995283.db2.gz FESAZUDYQHQNOP-JQVVWYNYSA-N 1 0 404.555 2.671 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000787902107 1077005056 /nfs/dbraw/zinc/00/50/56/1077005056.db2.gz DOWCJLAONFZEEJ-FPOVZHCZSA-N 1 0 403.567 2.648 20 0 HFADRO CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(F)(F)F ZINC000787959077 1077009154 /nfs/dbraw/zinc/00/91/54/1077009154.db2.gz JCYSKGDPNLXBQM-KRWDZBQOSA-N 1 0 414.472 2.860 20 0 HFADRO CCC[N@H+](CC)CCNC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000746718308 1077012812 /nfs/dbraw/zinc/01/28/12/1077012812.db2.gz GWRDJYMECCNMOP-UHFFFAOYSA-N 1 0 423.583 2.791 20 0 HFADRO CCOC(=O)c1ncn(C2CC[NH+](Cc3cc(=O)oc4cc(C)ccc34)CC2)c1N ZINC000788001083 1077024397 /nfs/dbraw/zinc/02/43/97/1077024397.db2.gz YOZNMSZJDGSYQX-UHFFFAOYSA-N 1 0 410.474 2.894 20 0 HFADRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1C ZINC000788002385 1077024981 /nfs/dbraw/zinc/02/49/81/1077024981.db2.gz BPTUGDBJFZVRJQ-IBGZPJMESA-N 1 0 422.566 2.703 20 0 HFADRO CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000787983351 1077032133 /nfs/dbraw/zinc/03/21/33/1077032133.db2.gz NUMOHICTYXQSBS-XMMPIXPASA-N 1 0 424.545 2.513 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000788035417 1077035694 /nfs/dbraw/zinc/03/56/94/1077035694.db2.gz SRGFNDFKPDXOLG-TXKXQZRUSA-N 1 0 402.539 2.887 20 0 HFADRO CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000746726150 1077042170 /nfs/dbraw/zinc/04/21/70/1077042170.db2.gz NBXDIVNEGOQWJC-UHFFFAOYSA-N 1 0 408.506 2.549 20 0 HFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772712223 1077050317 /nfs/dbraw/zinc/05/03/17/1077050317.db2.gz WADZSCHGNDFINV-QGZVFWFLSA-N 1 0 403.523 2.702 20 0 HFADRO CC(C)CCC[C@H](C)[N@@H+]1CCCn2c(=O)cc(CNC(=O)N3CCCC3)nc2C1 ZINC001170082164 1077065042 /nfs/dbraw/zinc/06/50/42/1077065042.db2.gz JELVLOPBOULXHE-SFHVURJKSA-N 1 0 403.571 2.969 20 0 HFADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000788203797 1077078509 /nfs/dbraw/zinc/07/85/09/1077078509.db2.gz BSSPLUXBRCJLLS-OAQYLSRUSA-N 1 0 404.942 2.730 20 0 HFADRO CS(=O)(=O)c1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000788307363 1077093172 /nfs/dbraw/zinc/09/31/72/1077093172.db2.gz LHZOXJZMEXPFMA-HNNXBMFYSA-N 1 0 415.943 2.508 20 0 HFADRO C[NH+](C)[C@@H](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccccc1 ZINC000788267532 1077093582 /nfs/dbraw/zinc/09/35/82/1077093582.db2.gz UQTUVXGMJNTFMR-CVDCTZTESA-N 1 0 408.502 2.654 20 0 HFADRO COc1ccccc1[C@@H](O)CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000788281967 1077097120 /nfs/dbraw/zinc/09/71/20/1077097120.db2.gz OAXIBXDMBWEORF-FQEVSTJZSA-N 1 0 408.502 2.584 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)C1=C(C)N(C)c2ncnn2[C@H]1C)[NH+]1CCCCC1 ZINC000788286850 1077098066 /nfs/dbraw/zinc/09/80/66/1077098066.db2.gz CPJQEVXINJAUEB-HKUYNNGSSA-N 1 0 424.549 2.915 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000788343304 1077111808 /nfs/dbraw/zinc/11/18/08/1077111808.db2.gz HIHNAPFTRPVNBJ-UHFFFAOYSA-N 1 0 420.941 2.740 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCCn2cnc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788503331 1077184395 /nfs/dbraw/zinc/18/43/95/1077184395.db2.gz NBPIYUPMQWSMJZ-MJGOQNOKSA-N 1 0 416.522 2.957 20 0 HFADRO CC[NH+]1CCC(n2nccc2NC(=O)c2cnc(Br)c(OC)c2)CC1 ZINC000788505287 1077184429 /nfs/dbraw/zinc/18/44/29/1077184429.db2.gz IKERYNYQJTYCRP-UHFFFAOYSA-N 1 0 408.300 2.958 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000788549307 1077197120 /nfs/dbraw/zinc/19/71/20/1077197120.db2.gz UPRVTXAVPBHNSS-UHFFFAOYSA-N 1 0 413.971 2.682 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc(OC)cc2OC)CCN1C(=O)OC(C)(C)C ZINC000788557951 1077200547 /nfs/dbraw/zinc/20/05/47/1077200547.db2.gz RUPCXGSBHNLSLU-FUHWJXTLSA-N 1 0 408.495 2.735 20 0 HFADRO COc1ccc(CCS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000788608843 1077206268 /nfs/dbraw/zinc/20/62/68/1077206268.db2.gz PSTHTNTXPVWEJO-UHFFFAOYSA-N 1 0 412.502 2.910 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCn2cnc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788568863 1077208755 /nfs/dbraw/zinc/20/87/55/1077208755.db2.gz DYYAIROSDIEPCZ-AEFFLSMTSA-N 1 0 402.495 2.567 20 0 HFADRO COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1nccn1C ZINC000788593349 1077215887 /nfs/dbraw/zinc/21/58/87/1077215887.db2.gz XIMQKATYMUJOOO-HXUWFJFHSA-N 1 0 414.531 2.558 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000788592577 1077216112 /nfs/dbraw/zinc/21/61/12/1077216112.db2.gz LHNBJADQJGSWNS-HKUYNNGSSA-N 1 0 410.603 2.554 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000788595074 1077216743 /nfs/dbraw/zinc/21/67/43/1077216743.db2.gz RFRLPMKDSZYGFY-UKRRQHHQSA-N 1 0 414.344 2.988 20 0 HFADRO C[C@H]1OCC[C@]1(O)CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000788595902 1077217309 /nfs/dbraw/zinc/21/73/09/1077217309.db2.gz HLHUZBCDTQLIOQ-VGSWGCGISA-N 1 0 418.538 2.553 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CN(Cc4ccccc4)CC[C@H]3CO)C2)C1 ZINC000788600404 1077219194 /nfs/dbraw/zinc/21/91/94/1077219194.db2.gz CLHNOUBVGWHJQI-FPOVZHCZSA-N 1 0 415.578 2.859 20 0 HFADRO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000788606822 1077221844 /nfs/dbraw/zinc/22/18/44/1077221844.db2.gz YJXKRZNYIKLLED-QUCCMNQESA-N 1 0 402.535 2.945 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)=NO1 ZINC000788644012 1077222853 /nfs/dbraw/zinc/22/28/53/1077222853.db2.gz DMBYLQUNKSSULQ-SFHVURJKSA-N 1 0 422.570 2.771 20 0 HFADRO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)C3CN(C(=O)OC(C)(C)C)C3)C2=O)cc1 ZINC000788646046 1077223680 /nfs/dbraw/zinc/22/36/80/1077223680.db2.gz QIMRRLMGGHGPMJ-DNVCBOLYSA-N 1 0 403.523 2.641 20 0 HFADRO CC1CC[NH+](CCCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788630959 1077236995 /nfs/dbraw/zinc/23/69/95/1077236995.db2.gz QINZLMNBBUNJAN-OYRHEFFESA-N 1 0 424.545 2.817 20 0 HFADRO CC1CC[NH+](CCCNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788630962 1077237009 /nfs/dbraw/zinc/23/70/09/1077237009.db2.gz QINZLMNBBUNJAN-SFTDATJTSA-N 1 0 424.545 2.817 20 0 HFADRO COc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)ccc1OCC(N)=O ZINC000788641645 1077244108 /nfs/dbraw/zinc/24/41/08/1077244108.db2.gz KCNAVWVILXSCCX-DOTOQJQBSA-N 1 0 421.538 2.685 20 0 HFADRO COc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)ccc1OCC(N)=O ZINC000788641647 1077244181 /nfs/dbraw/zinc/24/41/81/1077244181.db2.gz KCNAVWVILXSCCX-NVXWUHKLSA-N 1 0 421.538 2.685 20 0 HFADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788643192 1077244730 /nfs/dbraw/zinc/24/47/30/1077244730.db2.gz OETKIJNLYGOANF-SJLPKXTDSA-N 1 0 421.950 2.969 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788643433 1077245092 /nfs/dbraw/zinc/24/50/92/1077245092.db2.gz LVEAJYDIDSSAEE-IXDOHACOSA-N 1 0 410.559 2.530 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000788687658 1077251422 /nfs/dbraw/zinc/25/14/22/1077251422.db2.gz RNNMCEANRBULBC-SWLSCSKDSA-N 1 0 414.344 2.892 20 0 HFADRO COc1cccc([C@H](CNC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)[NH+](C)C)c1 ZINC000788692941 1077253022 /nfs/dbraw/zinc/25/30/22/1077253022.db2.gz RPOSDINVCRNUSU-MSOLQXFVSA-N 1 0 403.523 2.671 20 0 HFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788658421 1077255092 /nfs/dbraw/zinc/25/50/92/1077255092.db2.gz UDMDYIQLQOXMDW-JKSUJKDBSA-N 1 0 411.568 2.767 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2ccc(Br)o2)CC1 ZINC000790961847 1077255746 /nfs/dbraw/zinc/25/57/46/1077255746.db2.gz OXYVGQFXTWVEGA-UHFFFAOYSA-N 1 0 416.316 2.649 20 0 HFADRO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788662398 1077257757 /nfs/dbraw/zinc/25/77/57/1077257757.db2.gz XVUAPPKOJUYORL-GOSISDBHSA-N 1 0 422.614 2.556 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788663771 1077258868 /nfs/dbraw/zinc/25/88/68/1077258868.db2.gz WQFHOQGYNNPKAW-HKBOAZHASA-N 1 0 424.545 2.959 20 0 HFADRO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001170146937 1077262101 /nfs/dbraw/zinc/26/21/01/1077262101.db2.gz XGWGYPCIEMXOFJ-UHFFFAOYSA-N 1 0 405.564 2.526 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000790975851 1077268565 /nfs/dbraw/zinc/26/85/65/1077268565.db2.gz VCSADMWXKBJYRX-QGZVFWFLSA-N 1 0 420.941 2.642 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790976236 1077268722 /nfs/dbraw/zinc/26/87/22/1077268722.db2.gz YYZJGVNQDJQGRK-SFHVURJKSA-N 1 0 403.523 2.819 20 0 HFADRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 ZINC000788695020 1077274445 /nfs/dbraw/zinc/27/44/45/1077274445.db2.gz YQADMCDQBQVULU-VQIMIIECSA-N 1 0 405.539 2.937 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000788762405 1077279537 /nfs/dbraw/zinc/27/95/37/1077279537.db2.gz GQLWZRFPGVVPSR-KKUMJFAQSA-N 1 0 414.344 2.846 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788764065 1077280684 /nfs/dbraw/zinc/28/06/84/1077280684.db2.gz BFHUVSOPDPXYDN-GOSISDBHSA-N 1 0 405.514 2.973 20 0 HFADRO O=C(Nc1ccccc1)C1CCN(CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788768146 1077282312 /nfs/dbraw/zinc/28/23/12/1077282312.db2.gz CPNXGCHQQOTVMR-FQEVSTJZSA-N 1 0 405.498 2.912 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000788735472 1077285208 /nfs/dbraw/zinc/28/52/08/1077285208.db2.gz BKYLBRVWWANKPD-FUHWJXTLSA-N 1 0 417.616 2.673 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058736 1077285492 /nfs/dbraw/zinc/28/54/92/1077285492.db2.gz FIFQIAXBGRETMV-YJBOKZPZSA-N 1 0 419.570 2.984 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cnc4c(c3)CN(C)C4=O)nc3ccc(C)cc3n12 ZINC001170148187 1077288650 /nfs/dbraw/zinc/28/86/50/1077288650.db2.gz ACZDAXAVBVFKTC-UHFFFAOYSA-N 1 0 401.474 2.577 20 0 HFADRO CC(=O)Nc1cc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc(C(F)(F)F)c1 ZINC000791105434 1077300363 /nfs/dbraw/zinc/30/03/63/1077300363.db2.gz CWHJPQOFHMQAAJ-HNNXBMFYSA-N 1 0 423.395 2.862 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@H](O)c2cc(C)cc(C)c2)CCN1C(=O)OC(C)(C)C ZINC000788821638 1077309483 /nfs/dbraw/zinc/30/94/83/1077309483.db2.gz YCEUBAUWQFIYTH-QYZOEREBSA-N 1 0 406.523 2.868 20 0 HFADRO CCc1cc(O)ccc1NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000791154266 1077310711 /nfs/dbraw/zinc/31/07/11/1077310711.db2.gz ZNBHJCIZSYVZQJ-UHFFFAOYSA-N 1 0 419.547 2.745 20 0 HFADRO CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788835288 1077315013 /nfs/dbraw/zinc/31/50/13/1077315013.db2.gz WMJMWFYNUWCBBM-JOCHJYFZSA-N 1 0 408.546 2.733 20 0 HFADRO C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788838385 1077315833 /nfs/dbraw/zinc/31/58/33/1077315833.db2.gz QASOZGBSIDHISI-LJQANCHMSA-N 1 0 417.550 2.543 20 0 HFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000788842941 1077317546 /nfs/dbraw/zinc/31/75/46/1077317546.db2.gz LOFFBKYYSYOUQT-GOSISDBHSA-N 1 0 421.586 2.659 20 0 HFADRO C[NH+](C)CCCOc1ccc(CNS(=O)(=O)C2=Cc3ccccc3OC2)cc1 ZINC000788886798 1077331784 /nfs/dbraw/zinc/33/17/84/1077331784.db2.gz PTRFWYHXARLZQR-UHFFFAOYSA-N 1 0 402.516 2.870 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cncc(C(=O)N(C)C)c3)nc3ccc(C)cc3n12 ZINC001170151197 1077353914 /nfs/dbraw/zinc/35/39/14/1077353914.db2.gz YHCMPJFGFOLCQJ-UHFFFAOYSA-N 1 0 403.490 2.693 20 0 HFADRO CCOC(=O)N1CCC(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000791294846 1077359431 /nfs/dbraw/zinc/35/94/31/1077359431.db2.gz QWABDXKIZJFWNZ-UHFFFAOYSA-N 1 0 403.523 2.644 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1N1CCOC1=O ZINC000746778023 1077376190 /nfs/dbraw/zinc/37/61/90/1077376190.db2.gz LHLDZUUPPOXKRY-UHFFFAOYSA-N 1 0 424.501 2.528 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000791344115 1077380379 /nfs/dbraw/zinc/38/03/79/1077380379.db2.gz ATISESWREKHTQH-QFIPXVFZSA-N 1 0 423.529 2.935 20 0 HFADRO C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C)[NH+]1CCCCCC1 ZINC000791309613 1077381963 /nfs/dbraw/zinc/38/19/63/1077381963.db2.gz VLOUCTJPELDEOV-QZTJIDSGSA-N 1 0 419.570 2.805 20 0 HFADRO Cc1c(Cl)c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)sc1S(N)(=O)=O ZINC000791382418 1077388903 /nfs/dbraw/zinc/38/89/03/1077388903.db2.gz YUESJDPUONAGAW-UHFFFAOYSA-N 1 0 422.016 2.845 20 0 HFADRO O=C(Cc1cccnc1Br)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000791400468 1077399415 /nfs/dbraw/zinc/39/94/15/1077399415.db2.gz XXYZRRMKPHMQMH-GOSISDBHSA-N 1 0 418.335 2.660 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000789050639 1077401331 /nfs/dbraw/zinc/40/13/31/1077401331.db2.gz BARPTVOVIAWPRR-MGPUTAFESA-N 1 0 406.552 2.783 20 0 HFADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000746787343 1077403073 /nfs/dbraw/zinc/40/30/73/1077403073.db2.gz BDVWRALHDBEQBA-UHFFFAOYSA-N 1 0 416.566 2.688 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000791450803 1077411581 /nfs/dbraw/zinc/41/15/81/1077411581.db2.gz YACYNHPJCWSBTP-VQTJNVASSA-N 1 0 417.550 2.511 20 0 HFADRO CC(C)[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H](O)c1ccccc1 ZINC000789112919 1077419311 /nfs/dbraw/zinc/41/93/11/1077419311.db2.gz HHOVPCJXNSEGLN-MLNNCEHLSA-N 1 0 403.567 2.812 20 0 HFADRO NC(=O)c1cc(OC2CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)ccn1 ZINC000791488506 1077428388 /nfs/dbraw/zinc/42/83/88/1077428388.db2.gz QEDKEPXVNJQICB-FQEVSTJZSA-N 1 0 405.498 2.781 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000789221979 1077448856 /nfs/dbraw/zinc/44/88/56/1077448856.db2.gz JMLOAMDSAVTTQX-OAQYLSRUSA-N 1 0 423.513 2.592 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(CN4CC[NH+](C)CC4)cc3)C2)c1 ZINC000791510284 1077449212 /nfs/dbraw/zinc/44/92/12/1077449212.db2.gz ORPCTARCJCKTCB-QFIPXVFZSA-N 1 0 408.502 2.574 20 0 HFADRO C[C@@H]1C[N@H+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@H](C2CC2)O1 ZINC000791552556 1077475691 /nfs/dbraw/zinc/47/56/91/1077475691.db2.gz IFERVALRWJSLHT-MBPVOVBZSA-N 1 0 404.551 2.983 20 0 HFADRO O=C(CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000791619404 1077489165 /nfs/dbraw/zinc/48/91/65/1077489165.db2.gz BVJUVOAMHODAIM-SZPZYZBQSA-N 1 0 420.557 2.526 20 0 HFADRO CC(C)NC(=O)c1ccccc1NC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791623319 1077490865 /nfs/dbraw/zinc/49/08/65/1077490865.db2.gz SUJFTIQRDMYSBM-OYRHEFFESA-N 1 0 420.557 2.827 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000791596146 1077496828 /nfs/dbraw/zinc/49/68/28/1077496828.db2.gz YTEDWRUSHCZFFC-JPYJTQIMSA-N 1 0 423.513 2.978 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2)c1 ZINC000791600719 1077499771 /nfs/dbraw/zinc/49/97/71/1077499771.db2.gz AZLMROZLXMVHAH-IIBYNOLFSA-N 1 0 401.507 2.674 20 0 HFADRO O=C(N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001086600270 1077506113 /nfs/dbraw/zinc/50/61/13/1077506113.db2.gz KXGBNJSLJRFCGR-RBKMHILSSA-N 1 0 410.558 2.811 20 0 HFADRO COc1ccnc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001086600308 1077506307 /nfs/dbraw/zinc/50/63/07/1077506307.db2.gz NBUCRNXARPTDNE-RBKMHILSSA-N 1 0 419.525 2.598 20 0 HFADRO C[C@H](OC(=O)[C@@H]1CC(=O)c2ccccc21)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789306121 1077507901 /nfs/dbraw/zinc/50/79/01/1077507901.db2.gz CAMXWZFYSWJMLA-DJPFJPOOSA-N 1 0 406.482 2.679 20 0 HFADRO O=S(=O)(NCC[NH+]1CCC(COc2ccc(Cl)nc2)CC1)c1ccccc1 ZINC000789309542 1077508768 /nfs/dbraw/zinc/50/87/68/1077508768.db2.gz FQQUQNWZOVGTGH-UHFFFAOYSA-N 1 0 409.939 2.804 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](C[C@@H](O)CC3CCCC3)C2)CC1 ZINC000789309786 1077509130 /nfs/dbraw/zinc/50/91/30/1077509130.db2.gz LPCPUXLKDVOANV-UXHICEINSA-N 1 0 423.598 2.719 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](N3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)C2=O)c(C)c1 ZINC000789353615 1077513864 /nfs/dbraw/zinc/51/38/64/1077513864.db2.gz ZTPFZQNSAAVCIQ-KORDQABASA-N 1 0 410.606 2.960 20 0 HFADRO CCNC(=O)C[C@@H]1CCCCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000789358610 1077516140 /nfs/dbraw/zinc/51/61/40/1077516140.db2.gz MSACCDYTKCNHPF-FQEVSTJZSA-N 1 0 402.608 2.906 20 0 HFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)[C@H]1CCCO1 ZINC000789384153 1077530551 /nfs/dbraw/zinc/53/05/51/1077530551.db2.gz UUYNWYIHJRRISU-NHCUHLMSSA-N 1 0 411.502 2.969 20 0 HFADRO CCC[C@H]1CN(C(=O)Nc2ccc(Br)nc2OC)CC[N@@H+]1CCOC ZINC000789394016 1077535793 /nfs/dbraw/zinc/53/57/93/1077535793.db2.gz SDDLRQWYPZGUCC-ZDUSSCGKSA-N 1 0 415.332 2.817 20 0 HFADRO COc1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc2c1O[C@H](C)C2 ZINC000746805734 1077536121 /nfs/dbraw/zinc/53/61/21/1077536121.db2.gz DOCMPMQUMRUVFI-CYBMUJFWSA-N 1 0 411.458 2.740 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CC(c4cccc(OC)c4)=NO3)c2)CC1 ZINC000791715590 1077536730 /nfs/dbraw/zinc/53/67/30/1077536730.db2.gz RNJVHEULLBNOJN-QFIPXVFZSA-N 1 0 408.502 2.969 20 0 HFADRO COc1cc(OC)c(OC)c2[nH]c(C(=O)OCCCN3CC[NH+](C(C)C)CC3)cc21 ZINC000791719142 1077538411 /nfs/dbraw/zinc/53/84/11/1077538411.db2.gz ONUDROLDLDTHPY-UHFFFAOYSA-N 1 0 419.522 2.767 20 0 HFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000746803549 1077539479 /nfs/dbraw/zinc/53/94/79/1077539479.db2.gz MPQLWFIPWHAVNX-SNVBAGLBSA-N 1 0 405.367 2.511 20 0 HFADRO C[C@H](CCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1ccccc1 ZINC000746809339 1077549395 /nfs/dbraw/zinc/54/93/95/1077549395.db2.gz IUARPUAZKBKLRY-QGZVFWFLSA-N 1 0 424.501 2.609 20 0 HFADRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCCc2ccc(F)cc2)cc1 ZINC000789423299 1077553933 /nfs/dbraw/zinc/55/39/33/1077553933.db2.gz HACDYFLDAJRKFR-UHFFFAOYSA-O 1 0 412.514 2.848 20 0 HFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC2CCC(C(N)=O)CC2)CC1 ZINC000746806512 1077556150 /nfs/dbraw/zinc/55/61/50/1077556150.db2.gz CJXKLUOGCIUZEJ-UHFFFAOYSA-N 1 0 407.946 2.648 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)NCCc2ccccn2)[n+]2ccc(C(C)(C)C)cc2)n1 ZINC000789400445 1077559252 /nfs/dbraw/zinc/55/92/52/1077559252.db2.gz DOXSQNVKIVJNOO-UHFFFAOYSA-O 1 0 423.566 2.839 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)Nc2ccc3c(c2)OCCCO3)[n+]2ccccc2)n1 ZINC000789406708 1077562992 /nfs/dbraw/zinc/56/29/92/1077562992.db2.gz ZIKQYJJOWIZOKA-UHFFFAOYSA-O 1 0 410.479 2.587 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)OCc3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000791813274 1077563844 /nfs/dbraw/zinc/56/38/44/1077563844.db2.gz UWYKUZRQALGOCK-UHFFFAOYSA-N 1 0 416.543 2.978 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000791840227 1077581038 /nfs/dbraw/zinc/58/10/38/1077581038.db2.gz WCYVADPFHVHEMP-HXUWFJFHSA-N 1 0 403.523 2.529 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000746814712 1077582330 /nfs/dbraw/zinc/58/23/30/1077582330.db2.gz CGUISMANAIEWOP-FCHUYYIVSA-N 1 0 409.530 2.904 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@](C)(O)c2ccccc2C(F)(F)F)CC1 ZINC000791912770 1077608411 /nfs/dbraw/zinc/60/84/11/1077608411.db2.gz SYQJTBRQIMIVFM-LJQANCHMSA-N 1 0 402.457 2.872 20 0 HFADRO COC(=O)/C=C/c1ccc(OCC[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000789521184 1077615053 /nfs/dbraw/zinc/61/50/53/1077615053.db2.gz LLHPHTPSGHSTPI-FLSMSTFGSA-N 1 0 408.498 2.985 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCN1C(=O)COc2ccccc21 ZINC000791985443 1077623454 /nfs/dbraw/zinc/62/34/54/1077623454.db2.gz CDIIFRZROQUZST-ICSRJNTNSA-N 1 0 405.498 2.945 20 0 HFADRO COc1ccc(Br)cc1CC(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791965656 1077637326 /nfs/dbraw/zinc/63/73/26/1077637326.db2.gz VKNUFDGSHZSVHW-UHFFFAOYSA-N 1 0 413.356 2.960 20 0 HFADRO COc1ccc(-c2cc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)n[nH]2)cc1OC ZINC000791993280 1077640475 /nfs/dbraw/zinc/64/04/75/1077640475.db2.gz FRCNSDHFDTVXIV-UHFFFAOYSA-N 1 0 416.522 2.667 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1 ZINC000791993873 1077640864 /nfs/dbraw/zinc/64/08/64/1077640864.db2.gz XCJCYOVXTJHYAM-UHFFFAOYSA-N 1 0 401.482 2.550 20 0 HFADRO CCC[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000792057273 1077663562 /nfs/dbraw/zinc/66/35/62/1077663562.db2.gz ORZZZYCVXHXXKD-FCHUYYIVSA-N 1 0 402.583 2.747 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000792072746 1077679380 /nfs/dbraw/zinc/67/93/80/1077679380.db2.gz XUXDJMSLQWDQTI-QGZVFWFLSA-N 1 0 411.340 2.884 20 0 HFADRO Cc1ccc(-c2nc(SCC(=O)OCCCN3CC[NH+](C(C)C)CC3)n[nH]2)cc1 ZINC000792036597 1077687621 /nfs/dbraw/zinc/68/76/21/1077687621.db2.gz PZUFQJYFGRFCOI-UHFFFAOYSA-N 1 0 417.579 2.832 20 0 HFADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 ZINC001170113212 1077687822 /nfs/dbraw/zinc/68/78/22/1077687822.db2.gz WBQJSSBQFVOLCU-YMPZKCBVSA-N 1 0 409.578 2.687 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC3CC[NH+](CC4CCCC4)CC3)C2)c1 ZINC000792098962 1077695891 /nfs/dbraw/zinc/69/58/91/1077695891.db2.gz BBZBYZPKURZWDG-QFIPXVFZSA-N 1 0 415.534 2.968 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC3CC[NH+](CC4CCCC4)CC3)C2)c1 ZINC000792098960 1077696041 /nfs/dbraw/zinc/69/60/41/1077696041.db2.gz BBZBYZPKURZWDG-JOCHJYFZSA-N 1 0 415.534 2.968 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103018 1077697863 /nfs/dbraw/zinc/69/78/63/1077697863.db2.gz DQWCARLDSANTQV-ZCNNSNEGSA-N 1 0 422.614 2.793 20 0 HFADRO Cc1ccc(N2CC[C@H](NC(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)C2=O)cc1 ZINC000792105566 1077698828 /nfs/dbraw/zinc/69/88/28/1077698828.db2.gz KGSWBEWAWHTZAS-XJUOHMSHSA-N 1 0 418.541 2.874 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 ZINC000792110059 1077700965 /nfs/dbraw/zinc/70/09/65/1077700965.db2.gz HMSYGUAVBSSDNC-UHFFFAOYSA-N 1 0 409.893 2.633 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)c1 ZINC000792079284 1077704562 /nfs/dbraw/zinc/70/45/62/1077704562.db2.gz JGRWSXXTRFYZIL-QFIPXVFZSA-N 1 0 411.502 2.965 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000792087127 1077710562 /nfs/dbraw/zinc/71/05/62/1077710562.db2.gz KNVAVCFOFFXHAA-UHFFFAOYSA-N 1 0 407.518 2.993 20 0 HFADRO CCc1nnc(CONC(=[NH2+])[C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)cc2)o1 ZINC000789630629 1077711183 /nfs/dbraw/zinc/71/11/83/1077711183.db2.gz AKLBJTFFBWGQEO-INIZCTEOSA-N 1 0 405.455 2.905 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000792091498 1077712493 /nfs/dbraw/zinc/71/24/93/1077712493.db2.gz AYQXKOAGKMKNAF-AEFFLSMTSA-N 1 0 412.575 2.575 20 0 HFADRO O=C(NCC[S@](=O)Cc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792095585 1077713326 /nfs/dbraw/zinc/71/33/26/1077713326.db2.gz AWSBHGADLRIVOZ-KERYWQKISA-N 1 0 411.571 2.709 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC000792137442 1077718941 /nfs/dbraw/zinc/71/89/41/1077718941.db2.gz RHRRSDDJVZWTOW-CVDCTZTESA-N 1 0 407.514 2.869 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000796653150 1077721685 /nfs/dbraw/zinc/72/16/85/1077721685.db2.gz QABLPCBFSHCIEG-LPMFXHHGSA-N 1 0 405.495 2.977 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N[C@@H]3CC[C@@H]4SCCS[C@@H]34)cccc21 ZINC000789692341 1077729862 /nfs/dbraw/zinc/72/98/62/1077729862.db2.gz SGUXKUPEXLIHJI-CBZIJGRNSA-N 1 0 421.588 2.506 20 0 HFADRO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792177662 1077735549 /nfs/dbraw/zinc/73/55/49/1077735549.db2.gz FYORQHOVKXGHTI-PMXSJFBMSA-N 1 0 414.550 2.627 20 0 HFADRO COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792177128 1077735940 /nfs/dbraw/zinc/73/59/40/1077735940.db2.gz BHFAVYHPTJMNFT-IEBWSBKVSA-N 1 0 402.539 2.675 20 0 HFADRO Cc1ccnc(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000792207620 1077746205 /nfs/dbraw/zinc/74/62/05/1077746205.db2.gz DDSOGDYIYMKLIR-SFHVURJKSA-N 1 0 402.539 2.681 20 0 HFADRO CCOC(=O)N(C)C1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792228122 1077753352 /nfs/dbraw/zinc/75/33/52/1077753352.db2.gz RVCHYYDPKFBHLU-LJQANCHMSA-N 1 0 402.539 2.771 20 0 HFADRO C[NH+](C)Cc1ccc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000792211837 1077766214 /nfs/dbraw/zinc/76/62/14/1077766214.db2.gz KBJPIBALBLAISD-UHFFFAOYSA-N 1 0 408.518 2.769 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)c1 ZINC000792212896 1077766800 /nfs/dbraw/zinc/76/68/00/1077766800.db2.gz VPTZZEVJHAJIOI-NRFANRHFSA-N 1 0 401.507 2.720 20 0 HFADRO CC1([C@H]2CCCN(C(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)C2)OCCO1 ZINC000792280431 1077773333 /nfs/dbraw/zinc/77/33/33/1077773333.db2.gz VPRPRGLHNPBHBT-GTPINHCMSA-N 1 0 419.488 2.976 20 0 HFADRO CC1([C@@H]2CCCN(C(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)C2)OCCO1 ZINC000792280437 1077773452 /nfs/dbraw/zinc/77/34/52/1077773452.db2.gz VPRPRGLHNPBHBT-KLAILNCOSA-N 1 0 419.488 2.976 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000792292885 1077777853 /nfs/dbraw/zinc/77/78/53/1077777853.db2.gz AUUCDNSUMSCMAC-UHFFFAOYSA-N 1 0 410.356 2.835 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)C2)c1 ZINC000792272377 1077788430 /nfs/dbraw/zinc/78/84/30/1077788430.db2.gz MPUYVUDKLKNXKM-OPAMFIHVSA-N 1 0 408.502 2.925 20 0 HFADRO CCOC(=O)N[C@H]1CCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792274686 1077789653 /nfs/dbraw/zinc/78/96/53/1077789653.db2.gz HURVLRCAJMLJNT-FHERZECASA-N 1 0 420.476 2.712 20 0 HFADRO C[C@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000792275461 1077790449 /nfs/dbraw/zinc/79/04/49/1077790449.db2.gz BFHOENSCESVOCB-INIZCTEOSA-N 1 0 418.563 2.682 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)C2)c1 ZINC000792301824 1077795889 /nfs/dbraw/zinc/79/58/89/1077795889.db2.gz DELOZJZZZQYTCG-QFIPXVFZSA-N 1 0 415.534 2.539 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N3CCSC(C)(C)CC3)cc2)CC1 ZINC000789795844 1077802181 /nfs/dbraw/zinc/80/21/81/1077802181.db2.gz KPYDVECDPSHLMY-UHFFFAOYSA-N 1 0 418.607 2.900 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000792315718 1077803746 /nfs/dbraw/zinc/80/37/46/1077803746.db2.gz FUCJGHGUIMFWSM-SJORKVTESA-N 1 0 412.575 2.527 20 0 HFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000789830137 1077811700 /nfs/dbraw/zinc/81/17/00/1077811700.db2.gz NAELPEPYTFEHBD-NHCUHLMSSA-N 1 0 413.518 2.570 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCc3ccc(C4CC4)cc3)cc2)CC1 ZINC000792362696 1077815829 /nfs/dbraw/zinc/81/58/29/1077815829.db2.gz LKCPSCPPYLFHFY-UHFFFAOYSA-N 1 0 406.530 2.961 20 0 HFADRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cn1 ZINC000792364241 1077816694 /nfs/dbraw/zinc/81/66/94/1077816694.db2.gz FHTWUTGWLUEDQG-QFIPXVFZSA-N 1 0 417.513 2.955 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCCC1 ZINC000792370500 1077819185 /nfs/dbraw/zinc/81/91/85/1077819185.db2.gz ZXLCIQIMXRWJBI-LJQANCHMSA-N 1 0 409.534 2.965 20 0 HFADRO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2O1 ZINC000789815109 1077823702 /nfs/dbraw/zinc/82/37/02/1077823702.db2.gz WHIBIXXLEMQEKT-JKSUJKDBSA-N 1 0 401.507 2.599 20 0 HFADRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C1 ZINC001626112177 1077830462 /nfs/dbraw/zinc/83/04/62/1077830462.db2.gz XKJJULULSZYBHE-IBGZPJMESA-N 1 0 404.514 2.907 20 0 HFADRO O=C(Nc1cccnc1Cl)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792398263 1077835077 /nfs/dbraw/zinc/83/50/77/1077835077.db2.gz LZZSRRMBWDUVDM-UHFFFAOYSA-N 1 0 404.820 2.595 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)NC(=O)OC(C)(C)C ZINC000792379735 1077844627 /nfs/dbraw/zinc/84/46/27/1077844627.db2.gz HLPZVTJTXVZNQS-MRXNPFEDSA-N 1 0 418.538 2.640 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)C2=O)c(C)c1 ZINC000789922224 1077848640 /nfs/dbraw/zinc/84/86/40/1077848640.db2.gz WOLMEGWOLZPNLO-PMACEKPBSA-N 1 0 401.551 2.627 20 0 HFADRO COC(=O)c1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)nc(C(F)(F)F)c1 ZINC001170166462 1077849468 /nfs/dbraw/zinc/84/94/68/1077849468.db2.gz KQGYAHRISKZSRQ-UHFFFAOYSA-N 1 0 423.395 2.755 20 0 HFADRO O=C(c1nc(Br)cs1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000792433728 1077851768 /nfs/dbraw/zinc/85/17/68/1077851768.db2.gz UTRJIPGDSFPDGH-UHFFFAOYSA-N 1 0 402.358 2.870 20 0 HFADRO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000746863129 1077855906 /nfs/dbraw/zinc/85/59/06/1077855906.db2.gz SUHOIJQLFDVMTA-QHCPKHFHSA-N 1 0 417.550 2.577 20 0 HFADRO COCCOc1ccc2ncnc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)c2c1 ZINC001170166839 1077867274 /nfs/dbraw/zinc/86/72/74/1077867274.db2.gz STLGWPVTFDYZQM-UHFFFAOYSA-N 1 0 422.489 2.523 20 0 HFADRO CCOC(=O)c1cc2cc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)ncc2[nH]1 ZINC001170167000 1077869170 /nfs/dbraw/zinc/86/91/70/1077869170.db2.gz QDSVRFXWSMSJSR-UHFFFAOYSA-N 1 0 408.462 2.608 20 0 HFADRO CC(C)C[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000789975063 1077878618 /nfs/dbraw/zinc/87/86/18/1077878618.db2.gz PAAFAYOSGOSWOV-SFTDATJTSA-N 1 0 424.545 2.815 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cccc(/C=C2\CCCNC2=O)c1 ZINC001170167328 1077879423 /nfs/dbraw/zinc/87/94/23/1077879423.db2.gz BHOQYXXPYKDILX-OBGWFSINSA-N 1 0 405.502 2.848 20 0 HFADRO C[N@H+](CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C1CCCC1 ZINC000789976903 1077879736 /nfs/dbraw/zinc/87/97/36/1077879736.db2.gz SGGIZXCHILJDQO-PMACEKPBSA-N 1 0 410.518 2.569 20 0 HFADRO C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)C1 ZINC001170124724 1077882246 /nfs/dbraw/zinc/88/22/46/1077882246.db2.gz HLMVRKHWQDOATR-AVPCASRZSA-N 1 0 421.541 2.520 20 0 HFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000789985575 1077885620 /nfs/dbraw/zinc/88/56/20/1077885620.db2.gz GWZKISQGWKNQHF-AABGKKOBSA-N 1 0 410.518 2.521 20 0 HFADRO CC(C)CC[NH+]1CCC(CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000789991396 1077891546 /nfs/dbraw/zinc/89/15/46/1077891546.db2.gz CQAGSAQUAJTXOW-QGZVFWFLSA-N 1 0 410.559 2.530 20 0 HFADRO CC(C)[C@H](NC(=O)COC(=O)c1ccc2c[nH+]cn2c1)c1ccc2c(c1)OCCO2 ZINC000792553791 1077901295 /nfs/dbraw/zinc/90/12/95/1077901295.db2.gz SWDWCYLBYKFFLK-NRFANRHFSA-N 1 0 409.442 2.776 20 0 HFADRO COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000790007162 1077901528 /nfs/dbraw/zinc/90/15/28/1077901528.db2.gz OXTYPCAORKSOJT-FQEVSTJZSA-N 1 0 417.531 2.549 20 0 HFADRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2cc(N3CCOCC3)cc[nH+]2)OC(C)(C)O1 ZINC001170207923 1077906782 /nfs/dbraw/zinc/90/67/82/1077906782.db2.gz KLCVPBDBYSIZJD-MSOLQXFVSA-N 1 0 421.538 2.972 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)CCO1 ZINC001170210910 1077908360 /nfs/dbraw/zinc/90/83/60/1077908360.db2.gz YJUIGTOSVNPXEB-CEWLAPEOSA-N 1 0 401.551 2.930 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214704 1077908748 /nfs/dbraw/zinc/90/87/48/1077908748.db2.gz SOXCTTJZCLQLDG-XAPVIXHLSA-N 1 0 422.591 2.879 20 0 HFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000790009808 1077911712 /nfs/dbraw/zinc/91/17/12/1077911712.db2.gz HUAZXDNUZFQTSZ-OAHLLOKOSA-N 1 0 403.504 2.744 20 0 HFADRO Cn1cc(C(=O)Nc2cccc(OS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2)cn1 ZINC000790016186 1077914563 /nfs/dbraw/zinc/91/45/63/1077914563.db2.gz KKNFUTAPKSKIJZ-UHFFFAOYSA-N 1 0 414.487 2.502 20 0 HFADRO C[C@H](NC(=O)C[NH+]1CCC(C2N=NC(=O)O2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001170243733 1077915805 /nfs/dbraw/zinc/91/58/05/1077915805.db2.gz IGVATCIYJYFFRC-NSHDSACASA-N 1 0 414.384 2.731 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC)[C@H]3CC2)CCO1 ZINC001170222222 1077916376 /nfs/dbraw/zinc/91/63/76/1077916376.db2.gz PVAOFSSKRIPRIR-RDGPPVDQSA-N 1 0 408.564 2.880 20 0 HFADRO CC[C@H]1C[C@H](N(CC2CC2)c2nc3c(cc2C(=O)N(C)C)CC[NH2+]CC3)CCO1 ZINC001170224929 1077917118 /nfs/dbraw/zinc/91/71/18/1077917118.db2.gz WKGOYJNXFRFNAC-MOPGFXCFSA-N 1 0 400.567 2.646 20 0 HFADRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2ccncc2F)cc1 ZINC001170268650 1077922930 /nfs/dbraw/zinc/92/29/30/1077922930.db2.gz WJSOKTKUDWYXLU-UHFFFAOYSA-N 1 0 416.453 2.922 20 0 HFADRO COC(=O)C1=NOC2(C1)CC[NH+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000790079854 1077924676 /nfs/dbraw/zinc/92/46/76/1077924676.db2.gz GJDXPKIYANUAOT-INIZCTEOSA-N 1 0 409.527 2.808 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC001170274310 1077926153 /nfs/dbraw/zinc/92/61/53/1077926153.db2.gz BACJYPZTYKNZSE-UWGQAIRJSA-N 1 0 414.937 2.970 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001170275361 1077926509 /nfs/dbraw/zinc/92/65/09/1077926509.db2.gz GPSATDLCEBBDHK-DZOHQFGASA-N 1 0 400.910 2.894 20 0 HFADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC000790048573 1077928485 /nfs/dbraw/zinc/92/84/85/1077928485.db2.gz IPMWKRAMCJZKQG-UXHICEINSA-N 1 0 400.544 2.964 20 0 HFADRO COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH2+][C@H](C)Cc2ccccc2Cl)c1 ZINC001170255516 1077928964 /nfs/dbraw/zinc/92/89/64/1077928964.db2.gz RTVONQZRHFWEAO-KUHUBIRLSA-N 1 0 406.910 2.728 20 0 HFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001170280125 1077935791 /nfs/dbraw/zinc/93/57/91/1077935791.db2.gz ARZTVNLRRODNOZ-SJORKVTESA-N 1 0 416.440 2.955 20 0 HFADRO Cc1ccc(S(=O)(=O)Oc2ccccc2NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc1 ZINC001170280997 1077936578 /nfs/dbraw/zinc/93/65/78/1077936578.db2.gz AXYKSYOZZSZAGL-NJYVYQBISA-N 1 0 420.531 2.899 20 0 HFADRO CCOC(=O)c1sc2[nH]c([C@@H](C)N3CC[NH+]([C@@H](C)CC)CC3)nc(=O)c2c1C ZINC001170314790 1077940839 /nfs/dbraw/zinc/94/08/39/1077940839.db2.gz FTZULULPQUVTFC-GXTWGEPZSA-N 1 0 406.552 2.947 20 0 HFADRO C[C@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170333752 1077946137 /nfs/dbraw/zinc/94/61/37/1077946137.db2.gz QZWUWORGKAFILK-LJQANCHMSA-N 1 0 401.576 2.891 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC001170384480 1077956638 /nfs/dbraw/zinc/95/66/38/1077956638.db2.gz BYUSUCKVTAEFFG-CDHQVMDDSA-N 1 0 420.579 2.887 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2[nH+]ccc(N)c2C)C1 ZINC001170376653 1077962531 /nfs/dbraw/zinc/96/25/31/1077962531.db2.gz BEKFFBKBKIZUSG-XUVXKRRUSA-N 1 0 418.538 2.724 20 0 HFADRO CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC001170401236 1077965235 /nfs/dbraw/zinc/96/52/35/1077965235.db2.gz ZIXSYVZXBXADJZ-HUUCEWRRSA-N 1 0 404.479 2.803 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001170402976 1077965536 /nfs/dbraw/zinc/96/55/36/1077965536.db2.gz UAYZTROZPROFLQ-VQTJNVASSA-N 1 0 411.477 2.563 20 0 HFADRO O=C(NCCNc1[nH+]c(N2CCOCC2)cc2ccccc21)c1ccc(Cl)cn1 ZINC001170413392 1077967314 /nfs/dbraw/zinc/96/73/14/1077967314.db2.gz JHXVUNVSTKEIBH-UHFFFAOYSA-N 1 0 411.893 2.962 20 0 HFADRO C[C@@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792718421 1077973436 /nfs/dbraw/zinc/97/34/36/1077973436.db2.gz QAJLVHVWMFDBCL-DNVCBOLYSA-N 1 0 401.894 2.600 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1nnnn1C1CC1)[NH+]1CCCCC1 ZINC000790230194 1077981163 /nfs/dbraw/zinc/98/11/63/1077981163.db2.gz JBCOKGMHEMSANQ-YJBOKZPZSA-N 1 0 413.526 2.604 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCC2CC[NH+](CC)CC2)cn1 ZINC000790283752 1077984467 /nfs/dbraw/zinc/98/44/67/1077984467.db2.gz SXKSEAPRFSGJNK-JOCHJYFZSA-N 1 0 413.566 2.880 20 0 HFADRO Cc1ccc(CCC(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000792755493 1077986430 /nfs/dbraw/zinc/98/64/30/1077986430.db2.gz GYWHZXLMVVCACQ-GOSISDBHSA-N 1 0 410.942 2.597 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000772819886 1077988054 /nfs/dbraw/zinc/98/80/54/1077988054.db2.gz SQMVMUTYRIYQRG-BEFAXECRSA-N 1 0 422.620 2.582 20 0 HFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790267096 1077990864 /nfs/dbraw/zinc/99/08/64/1077990864.db2.gz LBSRWOUUKMHWIR-OXJNMPFZSA-N 1 0 401.532 2.518 20 0 HFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790267098 1077990898 /nfs/dbraw/zinc/99/08/98/1077990898.db2.gz LBSRWOUUKMHWIR-OXQOHEQNSA-N 1 0 401.532 2.518 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)CC1 ZINC000790313638 1077994656 /nfs/dbraw/zinc/99/46/56/1077994656.db2.gz RIHAIZJOVXFXGH-UHFFFAOYSA-N 1 0 408.518 2.663 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000792799954 1077995135 /nfs/dbraw/zinc/99/51/35/1077995135.db2.gz ATJPDGQERVCLQX-UHFFFAOYSA-N 1 0 414.506 2.918 20 0 HFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cnc(Br)c(Cl)c2)CC1 ZINC000790330640 1077998331 /nfs/dbraw/zinc/99/83/31/1077998331.db2.gz ZQIBPAYTKLDHIU-UHFFFAOYSA-N 1 0 410.703 2.897 20 0 HFADRO CN(CCOc1ccc(Br)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790360027 1078003837 /nfs/dbraw/zinc/00/38/37/1078003837.db2.gz BTPVVJVZKIXTPI-LJQANCHMSA-N 1 0 424.339 2.634 20 0 HFADRO CC(C)[C@H](CCN(C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363686 1078005295 /nfs/dbraw/zinc/00/52/95/1078005295.db2.gz BJQAEHVORDIIEX-PGRDOPGGSA-N 1 0 424.586 2.732 20 0 HFADRO COc1ccccc1-c1nc(C2CCN(C(=S)NCCC[NH+](C)C)CC2)no1 ZINC000790340277 1078007247 /nfs/dbraw/zinc/00/72/47/1078007247.db2.gz XANKVKSECIZLTP-UHFFFAOYSA-N 1 0 403.552 2.751 20 0 HFADRO O=C1O[C@]2(CN1CN1CCO[C@H](c3ccc(F)cc3Cl)C1)C[NH+]1CCC2CC1 ZINC000790382098 1078009455 /nfs/dbraw/zinc/00/94/55/1078009455.db2.gz DFEBQLJSIPIYAK-ICSRJNTNSA-N 1 0 409.889 2.727 20 0 HFADRO C[C@]1(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792857381 1078009643 /nfs/dbraw/zinc/00/96/43/1078009643.db2.gz YYTNHVMVVZAEIQ-IPJJNNNSSA-N 1 0 400.523 2.714 20 0 HFADRO C[C@H]1CN(c2cccc3cnccc32)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790390355 1078013030 /nfs/dbraw/zinc/01/30/30/1078013030.db2.gz STNACYNDJSBWLV-MHECFPHRSA-N 1 0 421.545 2.619 20 0 HFADRO O[C@H](C[C@@H]1COCCN1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873457 1078021757 /nfs/dbraw/zinc/02/17/57/1078021757.db2.gz SYNLGAVHWFVIEJ-BHIFYINESA-N 1 0 400.519 2.695 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000790420174 1078022357 /nfs/dbraw/zinc/02/23/57/1078022357.db2.gz GSQDMQHAALHSKF-PIPMEXSNSA-N 1 0 411.550 2.773 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000792943556 1078022755 /nfs/dbraw/zinc/02/27/55/1078022755.db2.gz MZSLCHFPQOKKLT-AWEZNQCLSA-N 1 0 400.903 2.867 20 0 HFADRO C[C@@H]1C[NH+](CCCNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000792914672 1078024307 /nfs/dbraw/zinc/02/43/07/1078024307.db2.gz SDQNTEXRLBHTDZ-DNVFCKCGSA-N 1 0 417.550 2.651 20 0 HFADRO C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CCN1C(=O)OC(C)(C)C ZINC000792920171 1078025999 /nfs/dbraw/zinc/02/59/99/1078025999.db2.gz PUVJIMXWVZTSBC-IRXDYDNUSA-N 1 0 417.554 2.808 20 0 HFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1cccnc1F ZINC000792919829 1078026210 /nfs/dbraw/zinc/02/62/10/1078026210.db2.gz PBFDYWQEWNEIKE-UHFFFAOYSA-N 1 0 405.905 2.886 20 0 HFADRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000792923260 1078026756 /nfs/dbraw/zinc/02/67/56/1078026756.db2.gz BSHJRPAGYKTIKF-LVCYWYKZSA-N 1 0 416.566 2.619 20 0 HFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(Br)n3)C2)CC1 ZINC000792973036 1078030256 /nfs/dbraw/zinc/03/02/56/1078030256.db2.gz GJHFOZQYUZXODU-OAHLLOKOSA-N 1 0 423.355 2.753 20 0 HFADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)Nc1cccc(F)n1 ZINC000792980739 1078031664 /nfs/dbraw/zinc/03/16/64/1078031664.db2.gz VFAVTTWHEPPMPC-UHFFFAOYSA-N 1 0 404.873 2.841 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)[NH+]1CCCC1 ZINC000792949042 1078032958 /nfs/dbraw/zinc/03/29/58/1078032958.db2.gz VYDDXAZKJFDTDC-HNNXBMFYSA-N 1 0 402.882 2.635 20 0 HFADRO COC(=O)c1c2cnn(C[N@H+](C)CCc3cnccn3)c2ccc1Br ZINC000790442667 1078033040 /nfs/dbraw/zinc/03/30/40/1078033040.db2.gz OIOCRNALCWRRBN-UHFFFAOYSA-N 1 0 404.268 2.507 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1)OCc1ccccc1 ZINC000792951275 1078033509 /nfs/dbraw/zinc/03/35/09/1078033509.db2.gz QTNZMZIYOWCAOF-LEWJYISDSA-N 1 0 414.550 2.819 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[N@H+](C)C[C@H]3C(C)C)c2ccc1Br ZINC000790444960 1078033720 /nfs/dbraw/zinc/03/37/20/1078033720.db2.gz WZJMVIQQATVVGU-INIZCTEOSA-N 1 0 409.328 2.815 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)c2ccc1Br ZINC000790443413 1078033804 /nfs/dbraw/zinc/03/38/04/1078033804.db2.gz VKEGVVQOZMYBKT-QWHCGFSZSA-N 1 0 408.296 2.901 20 0 HFADRO CC1(C)CN(CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000790448194 1078034501 /nfs/dbraw/zinc/03/45/01/1078034501.db2.gz TWHWAMOBGNEHPE-QHCPKHFHSA-N 1 0 422.573 2.650 20 0 HFADRO COC(=O)CC[N@H+](Cn1ncc2c1ccc(Br)c2C(=O)OC)C(C)C ZINC000790447625 1078034669 /nfs/dbraw/zinc/03/46/69/1078034669.db2.gz VNVLHSBNLSFORJ-UHFFFAOYSA-N 1 0 412.284 2.816 20 0 HFADRO CC(C)N1C(=O)CN(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O ZINC000790450636 1078035626 /nfs/dbraw/zinc/03/56/26/1078035626.db2.gz JOJAHSFYYGVYOK-UHFFFAOYSA-N 1 0 408.543 2.730 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000792960174 1078036095 /nfs/dbraw/zinc/03/60/95/1078036095.db2.gz QNBQSJYTBUTGGK-KRWDZBQOSA-N 1 0 400.523 2.726 20 0 HFADRO Cc1ccn(-c2ccc(NC(=O)C(=O)N(CCc3ccccc3)CC[NH+](C)C)cc2)n1 ZINC000792964276 1078037183 /nfs/dbraw/zinc/03/71/83/1078037183.db2.gz WXJXWYCDUDSLPZ-UHFFFAOYSA-N 1 0 419.529 2.752 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc1Br ZINC000792967626 1078038037 /nfs/dbraw/zinc/03/80/37/1078038037.db2.gz CQVZAYQDGHRPMS-SCRDCRAPSA-N 1 0 411.344 2.574 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000792968673 1078038251 /nfs/dbraw/zinc/03/82/51/1078038251.db2.gz XCZSHFIWZIXQHD-UHFFFAOYSA-N 1 0 420.945 2.563 20 0 HFADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792969873 1078039227 /nfs/dbraw/zinc/03/92/27/1078039227.db2.gz RZFSLBFYQKHWBT-ZFWWWQNUSA-N 1 0 417.307 2.734 20 0 HFADRO COCC[N@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@@H]1CC[C@H](C)C1 ZINC000790480152 1078040674 /nfs/dbraw/zinc/04/06/74/1078040674.db2.gz QJZPCWIBKRABTJ-ZLCDGRSFSA-N 1 0 417.550 2.841 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1Br ZINC000793019828 1078042496 /nfs/dbraw/zinc/04/24/96/1078042496.db2.gz VRFDTTJEBNFRAQ-KBPBESRZSA-N 1 0 423.355 2.860 20 0 HFADRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000790486454 1078042573 /nfs/dbraw/zinc/04/25/73/1078042573.db2.gz OVZJZQYSGFIFNS-HUUCEWRRSA-N 1 0 408.490 2.598 20 0 HFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000806239080 1079514952 /nfs/dbraw/zinc/51/49/52/1079514952.db2.gz MXHIAQNNRYBHSY-FGZHOGPDSA-N 1 0 423.561 2.551 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806309390 1079564052 /nfs/dbraw/zinc/56/40/52/1079564052.db2.gz DVPGKUXDEIXEQH-WOJBJXKFSA-N 1 0 402.539 2.960 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806309398 1079564117 /nfs/dbraw/zinc/56/41/17/1079564117.db2.gz FBOZWUWSVDPPPQ-VQTJNVASSA-N 1 0 402.539 2.961 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC000806310693 1079564753 /nfs/dbraw/zinc/56/47/53/1079564753.db2.gz HPFOZDKTYNXRBK-HXUWFJFHSA-N 1 0 418.538 2.610 20 0 HFADRO COc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1I ZINC001130589716 1079569981 /nfs/dbraw/zinc/56/99/81/1079569981.db2.gz PTRPWRYDNNHIGJ-GRYCIOLGSA-N 1 0 402.276 2.853 20 0 HFADRO O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806288361 1079573767 /nfs/dbraw/zinc/57/37/67/1079573767.db2.gz VFTWAKICJLBGAI-OVESXRPUSA-N 1 0 413.562 2.794 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000806294186 1079581299 /nfs/dbraw/zinc/58/12/99/1079581299.db2.gz BWQCSPSBZUFDPK-RDTXWAMCSA-N 1 0 417.428 2.944 20 0 HFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000806296187 1079583220 /nfs/dbraw/zinc/58/32/20/1079583220.db2.gz YIEWDXCCMMQQTE-IBGZPJMESA-N 1 0 405.587 2.784 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CCCCCC1 ZINC000806319984 1079590897 /nfs/dbraw/zinc/59/08/97/1079590897.db2.gz WSIMLGGSTPMNTA-OALUTQOASA-N 1 0 424.586 2.720 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000806323537 1079595812 /nfs/dbraw/zinc/59/58/12/1079595812.db2.gz UBIKODRHTHBCJQ-UNMCSNQZSA-N 1 0 403.567 2.807 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)c1cccc(OC)c1 ZINC000806350517 1079623265 /nfs/dbraw/zinc/62/32/65/1079623265.db2.gz MXZPBMQPLVHDCX-QUCCMNQESA-N 1 0 420.554 2.998 20 0 HFADRO Cc1ccc(NC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(N(C)C)n1 ZINC000806362571 1079650158 /nfs/dbraw/zinc/65/01/58/1079650158.db2.gz VYPNYHKSEJAPPB-OAQYLSRUSA-N 1 0 422.577 2.880 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000806372630 1079660202 /nfs/dbraw/zinc/66/02/02/1079660202.db2.gz VYJQXKDSBZXXSK-FQEVSTJZSA-N 1 0 402.539 2.880 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000806394208 1079683297 /nfs/dbraw/zinc/68/32/97/1079683297.db2.gz FNFPRFQVDHQMQJ-FQEVSTJZSA-N 1 0 402.539 2.745 20 0 HFADRO O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCN(c2ccc(Br)cc2)CC1 ZINC001130633029 1079718269 /nfs/dbraw/zinc/71/82/69/1079718269.db2.gz CHIZJRZOQSXLII-UHFFFAOYSA-N 1 0 412.291 2.992 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C(C)(C)C1 ZINC001130635487 1079724685 /nfs/dbraw/zinc/72/46/85/1079724685.db2.gz BZLDDAMRTHWUQM-LJQANCHMSA-N 1 0 401.551 2.534 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000806462465 1079735429 /nfs/dbraw/zinc/73/54/29/1079735429.db2.gz BVPDIVKEIWIFFE-FQEVSTJZSA-N 1 0 417.554 2.745 20 0 HFADRO COc1ccc([C@@H](CNC(=O)N=c2ccnc3n(C)[nH]cc2-3)[NH+]2CCCCC2)cc1 ZINC000806489976 1079740343 /nfs/dbraw/zinc/74/03/43/1079740343.db2.gz KCQJQVUJUSNVTD-HXUWFJFHSA-N 1 0 408.506 2.699 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccc(-n3ccnc3C)nc2)cc1 ZINC000806495411 1079745580 /nfs/dbraw/zinc/74/55/80/1079745580.db2.gz QBNFERJMAQKJNC-FQEVSTJZSA-N 1 0 408.506 2.686 20 0 HFADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000806502132 1079752376 /nfs/dbraw/zinc/75/23/76/1079752376.db2.gz JUPZUWGRWGAWQZ-UWHLTILDSA-N 1 0 401.551 2.602 20 0 HFADRO CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H]1CSCCS1)[NH2+][C@H](C)c1ccccc1 ZINC000806478522 1079765108 /nfs/dbraw/zinc/76/51/08/1079765108.db2.gz PPFXXZRZQLHZOD-BHIYHBOVSA-N 1 0 423.648 2.833 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)CC1 ZINC000806540643 1079779085 /nfs/dbraw/zinc/77/90/85/1079779085.db2.gz FPWRNRULOPRVSD-ICSRJNTNSA-N 1 0 424.586 2.530 20 0 HFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000747334887 1079787756 /nfs/dbraw/zinc/78/77/56/1079787756.db2.gz XHUTVPWNCKMPNF-UHFFFAOYSA-N 1 0 420.916 2.969 20 0 HFADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cnc(C4OCCO4)s3)CC2)c1 ZINC000806533622 1079806918 /nfs/dbraw/zinc/80/69/18/1079806918.db2.gz AOWBDJHGBNEFMI-UHFFFAOYSA-N 1 0 403.504 2.592 20 0 HFADRO COC(=O)N1CCC(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000806533802 1079807142 /nfs/dbraw/zinc/80/71/42/1079807142.db2.gz IFOGNTSQEJTVJU-LJQANCHMSA-N 1 0 406.527 2.607 20 0 HFADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC001170510329 1079814363 /nfs/dbraw/zinc/81/43/63/1079814363.db2.gz UAXUTNBDHCONDL-OSMZGAPFSA-N 1 0 402.310 2.599 20 0 HFADRO CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)C1=O ZINC001130668175 1079818532 /nfs/dbraw/zinc/81/85/32/1079818532.db2.gz DVEZVUIOAAYSDJ-RCCFBDPRSA-N 1 0 414.550 2.607 20 0 HFADRO COC(=O)[C@@H]1CO[C@H](CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)C1 ZINC001130673270 1079823641 /nfs/dbraw/zinc/82/36/41/1079823641.db2.gz SORSZRWNRJGDLW-CPDPWVEUSA-N 1 0 402.535 2.855 20 0 HFADRO COC(=O)[C@@H]1CO[C@H](CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)C1 ZINC001130673273 1079824689 /nfs/dbraw/zinc/82/46/89/1079824689.db2.gz SORSZRWNRJGDLW-WRJHFWDFSA-N 1 0 402.535 2.855 20 0 HFADRO CCN(C(=O)C(=O)NCCc1ccc(Cl)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806594118 1079836512 /nfs/dbraw/zinc/83/65/12/1079836512.db2.gz GVTZPZVHNPRQDY-IBGZPJMESA-N 1 0 414.937 2.517 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806595959 1079839359 /nfs/dbraw/zinc/83/93/59/1079839359.db2.gz QUJUWQACLLUUBU-QGZVFWFLSA-N 1 0 414.937 2.517 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000806612654 1079855424 /nfs/dbraw/zinc/85/54/24/1079855424.db2.gz JDMWGDUKMFODST-CXAGYDPISA-N 1 0 405.417 2.800 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)CC2)CC1 ZINC000806709817 1079938759 /nfs/dbraw/zinc/93/87/59/1079938759.db2.gz KVRNIFIVYQQHHM-QFIPXVFZSA-N 1 0 418.969 2.898 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000806726972 1079950672 /nfs/dbraw/zinc/95/06/72/1079950672.db2.gz KMPGKOTVCQKIIA-SFTDATJTSA-N 1 0 416.566 2.813 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000806726970 1079950784 /nfs/dbraw/zinc/95/07/84/1079950784.db2.gz KMPGKOTVCQKIIA-NHCUHLMSSA-N 1 0 416.566 2.813 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806727743 1079952393 /nfs/dbraw/zinc/95/23/93/1079952393.db2.gz BXKOXKYPVGBSTG-IBGZPJMESA-N 1 0 423.557 2.653 20 0 HFADRO CN(C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000806727934 1079952483 /nfs/dbraw/zinc/95/24/83/1079952483.db2.gz FSLXOZZISYHVCH-UHFFFAOYSA-N 1 0 423.557 2.653 20 0 HFADRO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130732686 1079969873 /nfs/dbraw/zinc/96/98/73/1079969873.db2.gz AVLQKTPYDYVSPR-RTFZILSDSA-N 1 0 410.562 2.717 20 0 HFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC000806764396 1079983343 /nfs/dbraw/zinc/98/33/43/1079983343.db2.gz FUDQMFMDGCJUEP-UHFFFAOYSA-N 1 0 400.910 2.818 20 0 HFADRO Cn1cc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000806774308 1079993297 /nfs/dbraw/zinc/99/32/97/1079993297.db2.gz RHXHZORRBBZHDR-UHFFFAOYSA-N 1 0 423.561 2.617 20 0 HFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000806778807 1080004807 /nfs/dbraw/zinc/00/48/07/1080004807.db2.gz AAVXJJHXGZHGBI-VQTJNVASSA-N 1 0 424.586 2.720 20 0 HFADRO CCOC1CC2(C[C@@H]2C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)C1 ZINC001130742497 1080006538 /nfs/dbraw/zinc/00/65/38/1080006538.db2.gz ZZCQGRYXEGFGOA-WQMHRJNTSA-N 1 0 401.551 2.847 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CCN(C(=O)OC(C)C)CC2)cc1 ZINC000806795535 1080014642 /nfs/dbraw/zinc/01/46/42/1080014642.db2.gz CRWBBRYFDBXISL-LJQANCHMSA-N 1 0 406.527 2.607 20 0 HFADRO C[C@]1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC(c2ccccc2Cl)=NO1 ZINC000806797339 1080016287 /nfs/dbraw/zinc/01/62/87/1080016287.db2.gz SMWJHFIRPAKYPY-HXUWFJFHSA-N 1 0 405.926 2.984 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000806835168 1080048596 /nfs/dbraw/zinc/04/85/96/1080048596.db2.gz ANFFIEHHJNRWBZ-NRFANRHFSA-N 1 0 409.530 2.806 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)Cc1ccccc1 ZINC000806837450 1080049489 /nfs/dbraw/zinc/04/94/89/1080049489.db2.gz XUJAJAVTVFUKQE-NRFANRHFSA-N 1 0 411.546 2.922 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000747358922 1080052096 /nfs/dbraw/zinc/05/20/96/1080052096.db2.gz FPNHCEVJQVEAOT-UHFFFAOYSA-N 1 0 411.506 2.564 20 0 HFADRO CN1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000806853097 1080058728 /nfs/dbraw/zinc/05/87/28/1080058728.db2.gz QIVCGHODBXWDRC-PMACEKPBSA-N 1 0 416.566 2.858 20 0 HFADRO COC(OC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)o1 ZINC000806927413 1080095359 /nfs/dbraw/zinc/09/53/59/1080095359.db2.gz IXOIECGUAFPACC-QGZVFWFLSA-N 1 0 415.490 2.990 20 0 HFADRO CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000806902974 1080109714 /nfs/dbraw/zinc/10/97/14/1080109714.db2.gz KTQGNGBBTZREHJ-GOSISDBHSA-N 1 0 417.472 2.927 20 0 HFADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000806903550 1080109782 /nfs/dbraw/zinc/10/97/82/1080109782.db2.gz QJIWFVMUVWXGEA-WMZOPIPTSA-N 1 0 412.575 2.573 20 0 HFADRO CCOC(=O)c1cccc(Oc2ccc(NC3=C(C(=O)OCC)C[NH2+]CC3)nn2)c1 ZINC001170513796 1080120164 /nfs/dbraw/zinc/12/01/64/1080120164.db2.gz APLKSTMEELBBQP-UHFFFAOYSA-N 1 0 412.446 2.668 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000806956249 1080121537 /nfs/dbraw/zinc/12/15/37/1080121537.db2.gz KXVVOJLPPWYSML-DYESRHJHSA-N 1 0 412.575 2.576 20 0 HFADRO C[C@]12CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C[C@H]1C2(Cl)Cl ZINC000806992512 1080170774 /nfs/dbraw/zinc/17/07/74/1080170774.db2.gz USRBZXLXSZTBFQ-HPFXQQBRSA-N 1 0 404.382 2.980 20 0 HFADRO CCN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806994281 1080173258 /nfs/dbraw/zinc/17/32/58/1080173258.db2.gz BMKREEQWMWBOIY-NRFANRHFSA-N 1 0 409.530 2.976 20 0 HFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1C(F)(F)F ZINC001130807673 1080176797 /nfs/dbraw/zinc/17/67/97/1080176797.db2.gz YPMCNAHZQGWDBP-UHFFFAOYSA-N 1 0 424.261 2.560 20 0 HFADRO CCOC(=O)C1=C(Nc2ncc(C(=O)Nc3ccccn3)cc2Cl)CC[NH2+]C1 ZINC001170515337 1080191750 /nfs/dbraw/zinc/19/17/50/1080191750.db2.gz JAILXUQIMIQEII-UHFFFAOYSA-N 1 0 401.854 2.605 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)NC(C)(C)c2nccs2)cc1)C1CC[NH+](C)CC1 ZINC000807046043 1080205785 /nfs/dbraw/zinc/20/57/85/1080205785.db2.gz NOIWQTQHSYDFHW-UHFFFAOYSA-N 1 0 415.563 2.664 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000807037788 1080227440 /nfs/dbraw/zinc/22/74/40/1080227440.db2.gz CBQXMWLFCKCCGR-FCHUYYIVSA-N 1 0 424.545 2.788 20 0 HFADRO C[C@H]1[C@H](NC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000807038476 1080228914 /nfs/dbraw/zinc/22/89/14/1080228914.db2.gz HRKKUAQUVHTDHP-QFBILLFUSA-N 1 0 402.539 2.816 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807053578 1080236980 /nfs/dbraw/zinc/23/69/80/1080236980.db2.gz ALHIWUNCXHNOGR-RVSPLBMKSA-N 1 0 415.962 2.846 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000807056646 1080239410 /nfs/dbraw/zinc/23/94/10/1080239410.db2.gz GWQKCJYLLSLDSJ-KKXDTOCCSA-N 1 0 413.534 2.863 20 0 HFADRO CCOC(=O)C1=C(Nc2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)CC[NH2+]C1 ZINC001170517205 1080255054 /nfs/dbraw/zinc/25/50/54/1080255054.db2.gz LMYMTXDAFLGZPH-UHFFFAOYSA-N 1 0 404.470 2.699 20 0 HFADRO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2COC3(CCOCC3)O2)[NH+](C)C)cc1 ZINC000807077492 1080258886 /nfs/dbraw/zinc/25/88/86/1080258886.db2.gz HVHSMLGLSGNEEK-NHCUHLMSSA-N 1 0 419.566 2.709 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000807085489 1080262536 /nfs/dbraw/zinc/26/25/36/1080262536.db2.gz WPSIOUVGEACSJB-JOCHJYFZSA-N 1 0 413.562 2.747 20 0 HFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000807147300 1080302982 /nfs/dbraw/zinc/30/29/82/1080302982.db2.gz CVESBHXCXCSGHV-VGSWGCGISA-N 1 0 407.555 2.707 20 0 HFADRO C[C@H]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000807173478 1080327779 /nfs/dbraw/zinc/32/77/79/1080327779.db2.gz HECMCYAPGYGTIZ-KKUMJFAQSA-N 1 0 406.493 2.595 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccc(C(F)F)cc1 ZINC000807174757 1080328395 /nfs/dbraw/zinc/32/83/95/1080328395.db2.gz CYXSYKOOYLGTJA-UHFFFAOYSA-N 1 0 403.473 2.873 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)cc2)CC1 ZINC000807193444 1080343123 /nfs/dbraw/zinc/34/31/23/1080343123.db2.gz RFQJPFIRKGBOJQ-KRWDZBQOSA-N 1 0 412.456 2.709 20 0 HFADRO COc1ccc(C2=NO[C@@H](CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1F ZINC000807212954 1080361431 /nfs/dbraw/zinc/36/14/31/1080361431.db2.gz BMFDGHPPGNBSRB-FCLJQHQZSA-N 1 0 404.486 2.594 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)C2)cc1F ZINC000807214042 1080363201 /nfs/dbraw/zinc/36/32/01/1080363201.db2.gz KPRYFVZKCVRDEN-QOKNQOGYSA-N 1 0 404.486 2.596 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)C2)cc1C ZINC000807213396 1080364535 /nfs/dbraw/zinc/36/45/35/1080364535.db2.gz HLBZLPLNDNHUQI-NEWSRXKRSA-N 1 0 400.523 2.765 20 0 HFADRO C[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000807177446 1080369616 /nfs/dbraw/zinc/36/96/16/1080369616.db2.gz YTPVFIIDWDOSTQ-DOMZBBRYSA-N 1 0 415.763 2.596 20 0 HFADRO CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000807181672 1080375393 /nfs/dbraw/zinc/37/53/93/1080375393.db2.gz SFUAVZJVYPROMY-RTBURBONSA-N 1 0 412.575 2.530 20 0 HFADRO Cc1nn(C)c2nc(C)c(CCC(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c(C)c12 ZINC000747376433 1080376446 /nfs/dbraw/zinc/37/64/46/1080376446.db2.gz RXRQSZRNIGBJHQ-YZGWKJHDSA-N 1 0 413.566 2.536 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000747377390 1080403986 /nfs/dbraw/zinc/40/39/86/1080403986.db2.gz XNKKIRRWHWNBJK-KZNAEPCWSA-N 1 0 409.571 2.782 20 0 HFADRO COCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268166 1080420103 /nfs/dbraw/zinc/42/01/03/1080420103.db2.gz MUSIOPDNUQXIRG-SFHVURJKSA-N 1 0 424.586 2.528 20 0 HFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)c1cccc(C(F)(F)F)c1 ZINC000807261031 1080466637 /nfs/dbraw/zinc/46/66/37/1080466637.db2.gz WHIAMZBEGFHSCF-CQSZACIVSA-N 1 0 414.815 2.885 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000807295741 1080488122 /nfs/dbraw/zinc/48/81/22/1080488122.db2.gz UAIWECCUOARQHX-JOCHJYFZSA-N 1 0 409.530 2.676 20 0 HFADRO CCOC(=O)C1=C(N=c2cc(C)c3nnn(C)c3[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522130 1080500239 /nfs/dbraw/zinc/50/02/39/1080500239.db2.gz ZOFMTNWJFVHKJF-UHFFFAOYSA-N 1 0 406.490 2.807 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccccc1-c1noc(C)n1)c1ccco1 ZINC000807310526 1080504783 /nfs/dbraw/zinc/50/47/83/1080504783.db2.gz LPFOUEILZMAPJC-CXAGYDPISA-N 1 0 411.462 2.822 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccco1 ZINC000807310568 1080505192 /nfs/dbraw/zinc/50/51/92/1080505192.db2.gz NBWVTUMZDNZFFK-VXGBXAGGSA-N 1 0 409.284 2.621 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1)c1ccco1 ZINC000807312063 1080505280 /nfs/dbraw/zinc/50/52/80/1080505280.db2.gz JWTLQGADCKUIKJ-BBRMVZONSA-N 1 0 402.451 2.642 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1)c1ccco1 ZINC000807313062 1080506074 /nfs/dbraw/zinc/50/60/74/1080506074.db2.gz VZOLVVTWZFHTPR-MLGOLLRUSA-N 1 0 420.441 2.781 20 0 HFADRO CCN1CCN(C(=O)C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000807319173 1080512483 /nfs/dbraw/zinc/51/24/83/1080512483.db2.gz UPGZLOZVSOXXCF-INIZCTEOSA-N 1 0 418.538 2.545 20 0 HFADRO Cc1ccc([C@@H](O)[C@H](C)NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000807342407 1080548036 /nfs/dbraw/zinc/54/80/36/1080548036.db2.gz WZAIJHATDPPAEA-AVRDEDQJSA-N 1 0 409.530 2.810 20 0 HFADRO Cc1ccc([C@H](O)[C@H](C)NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000807348439 1080555184 /nfs/dbraw/zinc/55/51/84/1080555184.db2.gz VMIDMLCXIYFSGY-LAUBAEHRSA-N 1 0 413.518 2.502 20 0 HFADRO Cc1csc([C@H](C)CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000807350880 1080556939 /nfs/dbraw/zinc/55/69/39/1080556939.db2.gz VQVAQXTWHKORSH-ZHRRBRCNSA-N 1 0 414.575 2.700 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1cc(F)cn2nc(N)nc12 ZINC001170522780 1080560124 /nfs/dbraw/zinc/56/01/24/1080560124.db2.gz TUUXTYXRNBNKDF-UHFFFAOYSA-N 1 0 410.453 2.586 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000807366233 1080565411 /nfs/dbraw/zinc/56/54/11/1080565411.db2.gz UQBFVPSFXVAYQO-UHFFFAOYSA-N 1 0 424.501 2.758 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000747394639 1080570045 /nfs/dbraw/zinc/57/00/45/1080570045.db2.gz WMORXORLNLQTRR-UHFFFAOYSA-N 1 0 417.579 2.823 20 0 HFADRO C[C@]1(CNC(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000807431469 1080591796 /nfs/dbraw/zinc/59/17/96/1080591796.db2.gz DBMOODHJEAMLHK-WIOPSUGQSA-N 1 0 423.557 2.645 20 0 HFADRO COc1ccc(OC)c2c1CN(C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C[C@@H]2O ZINC000807402675 1080598222 /nfs/dbraw/zinc/59/82/22/1080598222.db2.gz KQUCMRSTCCSFNA-QRFQSNJMSA-N 1 0 413.518 2.954 20 0 HFADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc(OC)c1C(C)C ZINC000807453296 1080632813 /nfs/dbraw/zinc/63/28/13/1080632813.db2.gz JEOXUTMKEOEBFE-NVXWUHKLSA-N 1 0 403.523 2.851 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807454969 1080634706 /nfs/dbraw/zinc/63/47/06/1080634706.db2.gz ZQCKSEVLTDKDAM-YOEHRIQHSA-N 1 0 401.898 2.549 20 0 HFADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000807454912 1080634786 /nfs/dbraw/zinc/63/47/86/1080634786.db2.gz YXDSUZZFHFNKCI-QFBILLFUSA-N 1 0 416.522 2.915 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000807454530 1080635452 /nfs/dbraw/zinc/63/54/52/1080635452.db2.gz WXLUYRPAYGCHHN-LPHOPBHVSA-N 1 0 401.507 2.667 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)c1ccco1 ZINC000807441944 1080663283 /nfs/dbraw/zinc/66/32/83/1080663283.db2.gz SBDLDYKHXIZWPK-DODZYUBVSA-N 1 0 403.527 2.598 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000807444001 1080664849 /nfs/dbraw/zinc/66/48/49/1080664849.db2.gz XKYPJNVZGWJKMG-ULQDDVLXSA-N 1 0 424.542 2.644 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1)c1ccc(F)cc1 ZINC000807486186 1080668873 /nfs/dbraw/zinc/66/88/73/1080668873.db2.gz MHCSNFQECXJOND-IBGZPJMESA-N 1 0 416.472 2.923 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807497462 1080691459 /nfs/dbraw/zinc/69/14/59/1080691459.db2.gz AXAXHDOUKGJLHQ-NBGIEHNGSA-N 1 0 423.557 2.523 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000807511511 1080719704 /nfs/dbraw/zinc/71/97/04/1080719704.db2.gz ZGSIRFAMOFROON-UHFFFAOYSA-N 1 0 403.567 2.513 20 0 HFADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543696 1080760613 /nfs/dbraw/zinc/76/06/13/1080760613.db2.gz RGHQNAZGGRWRSO-OXQOHEQNSA-N 1 0 424.501 2.973 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C)CCC2 ZINC000807546916 1080763511 /nfs/dbraw/zinc/76/35/11/1080763511.db2.gz SLGUXJLSOXQPIP-GDIGMMSISA-N 1 0 412.559 2.582 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000747404060 1080770889 /nfs/dbraw/zinc/77/08/89/1080770889.db2.gz ZFVLHGRHHZWFMF-HXUWFJFHSA-N 1 0 402.539 2.771 20 0 HFADRO CC(C)Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(C)c2C2CC2)[NH+](C)C)cc1 ZINC000807524277 1080776862 /nfs/dbraw/zinc/77/68/62/1080776862.db2.gz DUZPRSUPQQSBOR-HXUWFJFHSA-N 1 0 411.550 2.854 20 0 HFADRO CCN(C(=O)NCC1CCN(C(=O)OC)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807525777 1080779152 /nfs/dbraw/zinc/77/91/52/1080779152.db2.gz RMMIPHKRQDBVII-FQEVSTJZSA-N 1 0 402.539 2.771 20 0 HFADRO C[NH+]1CCC(OCC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC001130989877 1080783508 /nfs/dbraw/zinc/78/35/08/1080783508.db2.gz KBOJQIHAFAEYKB-JOCHJYFZSA-N 1 0 407.514 2.611 20 0 HFADRO CCOC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000807590042 1080790715 /nfs/dbraw/zinc/79/07/15/1080790715.db2.gz ZYWZCYRNPHMGGS-QUCCMNQESA-N 1 0 420.554 2.997 20 0 HFADRO CN(OCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807582528 1080793594 /nfs/dbraw/zinc/79/35/94/1080793594.db2.gz ORIFYPLNVACHLS-PKOBYXMFSA-N 1 0 401.532 2.837 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)[C@H]1c1cccs1 ZINC000807582912 1080794891 /nfs/dbraw/zinc/79/48/91/1080794891.db2.gz WJQAYDHRKQPCDQ-HLIPFELVSA-N 1 0 412.559 2.658 20 0 HFADRO COc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)ccc1OCC(=O)N1CCCC1 ZINC000466920570 1126094427 /nfs/dbraw/zinc/09/44/27/1126094427.db2.gz QNILUVSOHCBDKV-NRFANRHFSA-N 1 0 412.530 2.698 20 0 HFADRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2c(CNC(=O)OC(C)(C)C)cnn2C)cc1C ZINC001182204356 1126153110 /nfs/dbraw/zinc/15/31/10/1126153110.db2.gz QBQZIFUGZNSUMM-IBGZPJMESA-N 1 0 402.539 2.755 20 0 HFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@](C)(CO)Cc2ccc(OC)c(OC)c2)cc1 ZINC001460870369 1126193294 /nfs/dbraw/zinc/19/32/94/1126193294.db2.gz PLOLUCKJJOSYEK-OAQYLSRUSA-N 1 0 407.532 2.581 20 0 HFADRO O=c1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)nc2ccc(Cl)cn12 ZINC001560100058 1126207707 /nfs/dbraw/zinc/20/77/07/1126207707.db2.gz DCOIRFUULLOKOE-CRAIPNDOSA-N 1 0 411.811 2.972 20 0 HFADRO OC[C@]1([NH2+]Cc2cnn(CC(F)F)c2)CCc2cc(Br)ccc2C1 ZINC001560531972 1126211648 /nfs/dbraw/zinc/21/16/48/1126211648.db2.gz CJHPRLOPMFYSSH-KRWDZBQOSA-N 1 0 400.267 2.920 20 0 HFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(F)(F)[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164406918 718870162 /nfs/dbraw/zinc/87/01/62/718870162.db2.gz HTVWLGQATHEFFB-ZOBUZTSGSA-N 1 0 422.520 2.972 20 0 HFADRO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415609 718885543 /nfs/dbraw/zinc/88/55/43/718885543.db2.gz MJCHGUKBLVWXOL-UHFFFAOYSA-N 1 0 421.839 2.625 20 0 HFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)c2c1C ZINC001164440348 718986085 /nfs/dbraw/zinc/98/60/85/718986085.db2.gz MQOVKVISOFCPGJ-HALDLXJZSA-N 1 0 415.563 2.556 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C(=O)OC)c(Cl)cn3)CC2)CC1 ZINC001164614193 719022365 /nfs/dbraw/zinc/02/23/65/719022365.db2.gz PAWZURBPGQOYEX-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c(C(=O)OC)c[nH]c4n3)CC2)CC1 ZINC001164614790 719024776 /nfs/dbraw/zinc/02/47/76/719024776.db2.gz YJUPBSAVUURYAW-UHFFFAOYSA-N 1 0 414.506 2.593 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ncccc4nc3Cl)CC2)CC1 ZINC001164616954 719026499 /nfs/dbraw/zinc/02/64/99/719026499.db2.gz FVPIVBMZKNOYAX-UHFFFAOYSA-N 1 0 403.914 2.922 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cncc(Cl)n3)CC2)CC1 ZINC001164617997 719030150 /nfs/dbraw/zinc/03/01/50/719030150.db2.gz UEVIBSIHCDMARK-UHFFFAOYSA-N 1 0 402.873 2.919 20 0 HFADRO O=C(c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1)N1CCOCC1 ZINC001164619612 719056796 /nfs/dbraw/zinc/05/67/96/719056796.db2.gz CXHYGIYDMLDUFI-YADHBBJMSA-N 1 0 406.530 2.655 20 0 HFADRO COC(=O)Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164624290 719071479 /nfs/dbraw/zinc/07/14/79/719071479.db2.gz KVUHNVYEPOCLHI-SJLPKXTDSA-N 1 0 400.910 2.946 20 0 HFADRO CC(C)NS(=O)(=O)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164627911 719097455 /nfs/dbraw/zinc/09/74/55/719097455.db2.gz LEHKDDITCCAOKN-CTNGQTDRSA-N 1 0 414.575 2.869 20 0 HFADRO CCOC[C@@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)Cc2nn(CC3CC3)cc21 ZINC001164663024 719363853 /nfs/dbraw/zinc/36/38/53/719363853.db2.gz HCICENIPHZKYHL-IBGZPJMESA-N 1 0 410.566 2.580 20 0 HFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164673768 719444300 /nfs/dbraw/zinc/44/43/00/719444300.db2.gz UEJILIYTPFRYTG-SJORKVTESA-N 1 0 413.591 2.685 20 0 HFADRO CC(C)N(C)Cc1nn(-c2ncccc2C(=O)NC2CCCCC2)c2c1CC[NH2+]C2 ZINC001164682210 719605379 /nfs/dbraw/zinc/60/53/79/719605379.db2.gz BUIQXDQAGYCNKH-UHFFFAOYSA-N 1 0 410.566 2.816 20 0 HFADRO COC(=O)c1cc2c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)[nH]c(Cl)cc-2n1 ZINC001164684828 719632488 /nfs/dbraw/zinc/63/24/88/719632488.db2.gz XYILFKNCOAROSO-UHFFFAOYSA-N 1 0 416.913 2.675 20 0 HFADRO NC(=O)c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1Cl ZINC001164694731 719887424 /nfs/dbraw/zinc/88/74/24/719887424.db2.gz DMPOGIRXWKJKEM-UHFFFAOYSA-N 1 0 406.939 2.767 20 0 HFADRO NC(=O)c1ccnc(Cl)c1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706348 719903628 /nfs/dbraw/zinc/90/36/28/719903628.db2.gz IJAFLSZFOTYXAE-UHFFFAOYSA-N 1 0 406.939 2.767 20 0 HFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164811269 720078586 /nfs/dbraw/zinc/07/85/86/720078586.db2.gz NMUJHWXOCUILOX-UUOWRZLLSA-N 1 0 424.545 2.991 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C)CC2 ZINC001164711538 720102405 /nfs/dbraw/zinc/10/24/05/720102405.db2.gz QQBXOTGLUJGJMF-LJQANCHMSA-N 1 0 406.534 2.871 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1OCC ZINC001164813923 720112306 /nfs/dbraw/zinc/11/23/06/720112306.db2.gz RRNXKOGYRBODPO-FDDCHVKYSA-N 1 0 417.550 2.842 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)C2 ZINC001164808083 720134516 /nfs/dbraw/zinc/13/45/16/720134516.db2.gz DLONKKLOWHVFIE-GBXCKJPGSA-N 1 0 422.577 2.789 20 0 HFADRO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)[nH]c-2n1 ZINC001164813887 720145015 /nfs/dbraw/zinc/14/50/15/720145015.db2.gz RLGGUZYAOLIWJU-WZONZLPQSA-N 1 0 412.534 2.924 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3nc(SC)sc31)C2 ZINC001164809709 720145998 /nfs/dbraw/zinc/14/59/98/720145998.db2.gz IJUCCVHRTNGWLM-AUUYWEPGSA-N 1 0 405.593 2.993 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(/C=C\C(=O)OC)cc3cc[nH]c31)C2 ZINC001164818154 720151268 /nfs/dbraw/zinc/15/12/68/720151268.db2.gz RXSYIPZLAXVODS-BIJHHHAMSA-N 1 0 424.545 2.934 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1nc(C)n3C)C2 ZINC001164819438 720160143 /nfs/dbraw/zinc/16/01/43/720160143.db2.gz XBBPTUAKNKDTFL-YWZLYKJASA-N 1 0 404.946 2.510 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164819010 720168407 /nfs/dbraw/zinc/16/84/07/720168407.db2.gz VFLCXTVLVARAOL-CRAIPNDOSA-N 1 0 416.900 2.782 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164817164 720189347 /nfs/dbraw/zinc/18/93/47/720189347.db2.gz OJIOFZOVWAQHFR-BFUOFWGJSA-N 1 0 423.348 2.911 20 0 HFADRO CSc1cc(Cl)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715022 720193896 /nfs/dbraw/zinc/19/38/96/720193896.db2.gz IMPGUPPIEWKRFZ-MRXNPFEDSA-N 1 0 422.986 2.802 20 0 HFADRO CSc1ncc(Cl)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164812764 720214600 /nfs/dbraw/zinc/21/46/00/720214600.db2.gz MGIBSJUTLPBPJM-UHFFFAOYSA-N 1 0 408.959 2.659 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164812702 720217250 /nfs/dbraw/zinc/21/72/50/720217250.db2.gz IKQNJWLFFJHPLX-UHFFFAOYSA-N 1 0 415.929 2.727 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1SCC3)CCC2 ZINC001164814722 720218376 /nfs/dbraw/zinc/21/83/76/720218376.db2.gz WRFZXCSXPUZYTB-UHFFFAOYSA-N 1 0 420.970 2.585 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(C3CC3)n1)CCC2 ZINC001164811948 720225175 /nfs/dbraw/zinc/22/51/75/720225175.db2.gz BFIOIOZXSGSCSJ-UHFFFAOYSA-N 1 0 402.930 2.815 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)ncn2)CC1 ZINC001164819539 720285693 /nfs/dbraw/zinc/28/56/93/720285693.db2.gz RMGWGSDMJZJCJT-LSDHHAIUSA-N 1 0 413.900 2.586 20 0 HFADRO Cc1nc2ccc(F)cc2c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825980 720306863 /nfs/dbraw/zinc/30/68/63/720306863.db2.gz UWNFYQNCHKCOAE-RTWAWAEBSA-N 1 0 411.525 2.989 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164821624 720308590 /nfs/dbraw/zinc/30/85/90/720308590.db2.gz LLUAMECRRAKQHR-JKSUJKDBSA-N 1 0 416.957 2.831 20 0 HFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164821613 720309142 /nfs/dbraw/zinc/30/91/42/720309142.db2.gz LJWMVDSONHEMGI-DLBZAZTESA-N 1 0 416.957 2.533 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3[C@@H](F)Oc2cccc(Cl)n2)CC1 ZINC001164828441 720318575 /nfs/dbraw/zinc/31/85/75/720318575.db2.gz JMPSCVDYFORLES-GQIGUUNPSA-N 1 0 410.921 2.774 20 0 HFADRO COc1ccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)ncc2c1 ZINC001164824740 720321860 /nfs/dbraw/zinc/32/18/60/720321860.db2.gz CZLLVVFGNYOIOL-SFTDATJTSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc3c4c([nH]c32)CCC4)CC1 ZINC001164830224 720351791 /nfs/dbraw/zinc/35/17/91/720351791.db2.gz VOLQJJMXBGEZQH-SFTDATJTSA-N 1 0 407.562 2.963 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccnc(-c3nccs3)n2)CC1 ZINC001164825745 720354501 /nfs/dbraw/zinc/35/45/01/720354501.db2.gz JRDMECJUGQKBKX-IAGOWNOFSA-N 1 0 412.563 2.512 20 0 HFADRO CCc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)nc1C ZINC001164828830 720354722 /nfs/dbraw/zinc/35/47/22/720354722.db2.gz QHDXQESHONNHOV-QZTJIDSGSA-N 1 0 405.974 2.912 20 0 HFADRO c1ccc2nc(N3CCOCC3)c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164721757 720380261 /nfs/dbraw/zinc/38/02/61/720380261.db2.gz AYOWSRYMMGXTMA-FGZHOGPDSA-N 1 0 416.529 2.715 20 0 HFADRO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1OC ZINC001164727056 720424491 /nfs/dbraw/zinc/42/44/91/720424491.db2.gz CXGAJRKAIXRWHI-HZPDHXFCSA-N 1 0 402.882 2.778 20 0 HFADRO CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)C1=O ZINC001164726381 720425558 /nfs/dbraw/zinc/42/55/58/720425558.db2.gz BVMFOASFKHLGRK-IAGOWNOFSA-N 1 0 412.925 2.742 20 0 HFADRO C[N@H+](Cc1ccc(N2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727602 720502945 /nfs/dbraw/zinc/50/29/45/720502945.db2.gz NOYXLQAYKTWENL-NFBKMPQASA-N 1 0 407.518 2.695 20 0 HFADRO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC(C)C ZINC001164839374 720504682 /nfs/dbraw/zinc/50/46/82/720504682.db2.gz SZYXKJQZMVOUEJ-CEXWTWQISA-N 1 0 413.570 2.880 20 0 HFADRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C(N)=O ZINC001164839405 720511151 /nfs/dbraw/zinc/51/11/51/720511151.db2.gz UAYJFAYQDWFLSK-YESZJQIVSA-N 1 0 416.957 2.717 20 0 HFADRO COc1cnc(SC)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839467 720513087 /nfs/dbraw/zinc/51/30/87/720513087.db2.gz UUSPIDWHZWCDJR-YESZJQIVSA-N 1 0 402.568 2.781 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(F)cc3C(N)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834747 720523050 /nfs/dbraw/zinc/52/30/50/720523050.db2.gz HLIABADHFZVABA-GRDNDAEWSA-N 1 0 420.920 2.547 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2C(=O)N2CCc3ccccc32)C1 ZINC001164734582 720524083 /nfs/dbraw/zinc/52/40/83/720524083.db2.gz QUXAWBJPSZGENQ-SFHVURJKSA-N 1 0 416.529 2.679 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3COC4)CC[C@@H]21 ZINC001164835236 720525104 /nfs/dbraw/zinc/52/51/04/720525104.db2.gz JFCNAZYOJYJQJL-MPGHIAIKSA-N 1 0 402.930 2.735 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834197 720551454 /nfs/dbraw/zinc/55/14/54/720551454.db2.gz CONKQMWFIJJUJO-ZRGWGRIASA-N 1 0 414.941 2.804 20 0 HFADRO CCOC(=O)c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1OCC ZINC001164728853 720563890 /nfs/dbraw/zinc/56/38/90/720563890.db2.gz NUZVATITTHGWJT-UHFFFAOYSA-N 1 0 413.522 2.512 20 0 HFADRO Cc1cn(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nn2)cn1 ZINC001164837419 720573121 /nfs/dbraw/zinc/57/31/21/720573121.db2.gz MMGWBQPUGSGXSV-XUVXKRRUSA-N 1 0 406.538 2.545 20 0 HFADRO CCOC(=O)c1cc2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)[nH]c-2n1 ZINC001164730696 720574488 /nfs/dbraw/zinc/57/44/88/720574488.db2.gz YLMNBXQBYNNLFA-UHFFFAOYSA-N 1 0 408.506 2.595 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C(=O)N4CCCC4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833830 720575196 /nfs/dbraw/zinc/57/51/96/720575196.db2.gz BTORALOVVSVSDL-FDFHNCONSA-N 1 0 422.577 2.892 20 0 HFADRO COC(=O)C[C@H](c1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1)C1CC1 ZINC001164736578 720579437 /nfs/dbraw/zinc/57/94/37/720579437.db2.gz NTYATQBUCLFRAU-NRFANRHFSA-N 1 0 423.561 2.993 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN([C@@H](F)Oc3ccc(Cl)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842003 720649649 /nfs/dbraw/zinc/64/96/49/720649649.db2.gz ROJFMYCKGSGTRH-YYAJDYIMSA-N 1 0 408.909 2.832 20 0 HFADRO Clc1cc(-c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)ccn1 ZINC001164743104 720654955 /nfs/dbraw/zinc/65/49/55/720654955.db2.gz OYNFMRNPNBNQPS-QZTJIDSGSA-N 1 0 408.893 2.929 20 0 HFADRO CCOC(=O)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164841853 720678593 /nfs/dbraw/zinc/67/85/93/720678593.db2.gz JNOXBHOVQVITLC-IBGZPJMESA-N 1 0 410.518 2.913 20 0 HFADRO Fc1ccc2nc(C(F)F)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744225 720800003 /nfs/dbraw/zinc/80/00/03/720800003.db2.gz IBYDIQUZSRVCIW-ZIAGYGMSSA-N 1 0 416.407 2.838 20 0 HFADRO c1ccc(SCc2nccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164749808 720802221 /nfs/dbraw/zinc/80/22/21/720802221.db2.gz UOQVMYZWOQSLHL-QZTJIDSGSA-N 1 0 420.542 2.901 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750387 720808289 /nfs/dbraw/zinc/80/82/89/720808289.db2.gz VLBVVEKUKFJZID-NJDAHSKKSA-N 1 0 422.581 2.578 20 0 HFADRO Clc1nc2ncccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164738005 720816320 /nfs/dbraw/zinc/81/63/20/720816320.db2.gz DHYDRHWPOWUTLL-XYJFISCASA-N 1 0 424.940 2.649 20 0 HFADRO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738416 720816630 /nfs/dbraw/zinc/81/66/30/720816630.db2.gz FQDRBGSIONQAFM-USXIJHARSA-N 1 0 423.899 2.646 20 0 HFADRO Clc1nc2cccnc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744014 720818666 /nfs/dbraw/zinc/81/86/66/720818666.db2.gz TYFWMUVZYXNPOY-LZLYRXPVSA-N 1 0 424.940 2.649 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743998 720828475 /nfs/dbraw/zinc/82/84/75/720828475.db2.gz TVUZPRUGUUMLSG-NPPFBWRTSA-N 1 0 419.533 2.609 20 0 HFADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746084 720829094 /nfs/dbraw/zinc/82/90/94/720829094.db2.gz XXMQBBJIINWNGH-HNAWSFBYSA-N 1 0 420.920 2.833 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ncccc12 ZINC001164740132 720829445 /nfs/dbraw/zinc/82/94/45/720829445.db2.gz JCLFYHCVSHXCEP-LZLYRXPVSA-N 1 0 424.940 2.649 20 0 HFADRO COc1ccc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164746149 720829548 /nfs/dbraw/zinc/82/95/48/720829548.db2.gz YBPSVZLAKCRMBG-KGVIQGDOSA-N 1 0 419.533 2.609 20 0 HFADRO Cc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164738435 720831330 /nfs/dbraw/zinc/83/13/30/720831330.db2.gz FUESXBRMGZCFMM-IRFCIJBXSA-N 1 0 403.534 2.909 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744491 720831414 /nfs/dbraw/zinc/83/14/14/720831414.db2.gz URGGQPSQXJQYKJ-BZUAXINKSA-N 1 0 419.986 2.823 20 0 HFADRO Cc1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164738441 720831417 /nfs/dbraw/zinc/83/14/17/720831417.db2.gz FUESXBRMGZCFMM-QKNQBKEWSA-N 1 0 403.534 2.909 20 0 HFADRO Fc1ccc2cnnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164751900 720831908 /nfs/dbraw/zinc/83/19/08/720831908.db2.gz ZMJMBDZLGBXYGD-SLYNCCJLSA-N 1 0 407.497 2.740 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858207 720860289 /nfs/dbraw/zinc/86/02/89/720860289.db2.gz RQBOFLPMKHNEAQ-IRLDBZIGSA-N 1 0 421.545 2.653 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@H]2C1 ZINC001164851551 720866101 /nfs/dbraw/zinc/86/61/01/720866101.db2.gz AVXPYKVBEINSJQ-LPHOPBHVSA-N 1 0 402.470 2.582 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@@H]2C1 ZINC001164851553 720866544 /nfs/dbraw/zinc/86/65/44/720866544.db2.gz AVXPYKVBEINSJQ-VQIMIIECSA-N 1 0 402.470 2.582 20 0 HFADRO c1cc2nccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2n1 ZINC001164752980 720867402 /nfs/dbraw/zinc/86/74/02/720867402.db2.gz OAQGPLIHTXBFJU-XUZZJYLKSA-N 1 0 418.545 2.879 20 0 HFADRO COc1nccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747993 720868781 /nfs/dbraw/zinc/86/87/81/720868781.db2.gz DBRMCJXILQBGEK-REWPJTCUSA-N 1 0 409.534 2.635 20 0 HFADRO CCc1nc2sc3c(c2c(N2CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C2)n1)CCC3 ZINC001164855612 720873970 /nfs/dbraw/zinc/87/39/70/720873970.db2.gz HMJAKXJAWPRCNH-RDJZCZTQSA-N 1 0 416.591 2.916 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@@H]2C1 ZINC001164859265 720876375 /nfs/dbraw/zinc/87/63/75/720876375.db2.gz MGLHYTZXRBAESK-XLIONFOSSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@H]2C1 ZINC001164859264 720876675 /nfs/dbraw/zinc/87/66/75/720876675.db2.gz MGLHYTZXRBAESK-PXNSSMCTSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@H]2C1 ZINC001164857410 720885341 /nfs/dbraw/zinc/88/53/41/720885341.db2.gz JNAJPLJGENMEIV-VQTJNVASSA-N 1 0 414.575 2.942 20 0 HFADRO COc1ncnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164756287 720886898 /nfs/dbraw/zinc/88/68/98/720886898.db2.gz PDBWHHLHQLHJHU-QPPBQGQZSA-N 1 0 423.561 2.944 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CC[C@@H]2C1 ZINC001164856754 720888189 /nfs/dbraw/zinc/88/81/89/720888189.db2.gz JDBSONJEFXVHAX-WIYYLYMNSA-N 1 0 400.498 2.765 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)[C@@H]2C ZINC001164859561 721020201 /nfs/dbraw/zinc/02/02/01/721020201.db2.gz JEXZKDXFQCIPSP-ZBFHGGJFSA-N 1 0 420.945 2.916 20 0 HFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870894 721048670 /nfs/dbraw/zinc/04/86/70/721048670.db2.gz XEBDEMGDDNXALH-HZPDHXFCSA-N 1 0 409.868 2.858 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CSCC2 ZINC001164866311 721057241 /nfs/dbraw/zinc/05/72/41/721057241.db2.gz DVIBEAZVDBTLFF-HZPDHXFCSA-N 1 0 417.966 2.794 20 0 HFADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164865873 721060859 /nfs/dbraw/zinc/06/08/59/721060859.db2.gz BCWTZVORSFUOQS-ROUUACIJSA-N 1 0 421.501 2.522 20 0 HFADRO c1ccc(COc2cncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164867127 721062121 /nfs/dbraw/zinc/06/21/21/721062121.db2.gz IHCRXZYOEDFWRL-FGZHOGPDSA-N 1 0 417.513 2.930 20 0 HFADRO COc1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc(Cl)n1 ZINC001164772018 721084035 /nfs/dbraw/zinc/08/40/35/721084035.db2.gz SXBISRLBIHNUAK-GJZGRUSLSA-N 1 0 411.884 2.980 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC001164866953 721097364 /nfs/dbraw/zinc/09/73/64/721097364.db2.gz VLKATCPDRMNNID-LSDHHAIUSA-N 1 0 416.938 2.923 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863462 721112095 /nfs/dbraw/zinc/11/20/95/721112095.db2.gz CIKRKHNFOAHZLN-UXHICEINSA-N 1 0 418.497 2.896 20 0 HFADRO COc1cc2c(cc1F)ncnc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865468 721112660 /nfs/dbraw/zinc/11/26/60/721112660.db2.gz LNNABGDIHMSZLI-IRXDYDNUSA-N 1 0 409.465 2.652 20 0 HFADRO COc1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)n1 ZINC001164772729 721124883 /nfs/dbraw/zinc/12/48/83/721124883.db2.gz VRUOFYDNASSNPM-LSDHHAIUSA-N 1 0 411.884 2.980 20 0 HFADRO CCOC(=O)c1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870219 721125773 /nfs/dbraw/zinc/12/57/73/721125773.db2.gz BWSFDLVCEOQZGF-IAGOWNOFSA-N 1 0 416.909 2.786 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164771349 721128024 /nfs/dbraw/zinc/12/80/24/721128024.db2.gz SGQVHTKMCLSLEA-SJORKVTESA-N 1 0 417.941 2.912 20 0 HFADRO COc1cccc2nc(Cl)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164761665 721145830 /nfs/dbraw/zinc/14/58/30/721145830.db2.gz ACUAETIEKLXFAS-JKSUJKDBSA-N 1 0 412.925 2.984 20 0 HFADRO CCOC(=O)c1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1Cl ZINC001164761334 721178926 /nfs/dbraw/zinc/17/89/26/721178926.db2.gz APSJKAYDFQTELY-JKSUJKDBSA-N 1 0 403.914 2.604 20 0 HFADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4cncc(OCC5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164880377 721182392 /nfs/dbraw/zinc/18/23/92/721182392.db2.gz WBQCQSSVHCMLNN-NHCUHLMSSA-N 1 0 409.534 2.920 20 0 HFADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4cncc(OCC5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164880375 721183115 /nfs/dbraw/zinc/18/31/15/721183115.db2.gz WBQCQSSVHCMLNN-LEWJYISDSA-N 1 0 409.534 2.920 20 0 HFADRO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164762724 721189133 /nfs/dbraw/zinc/18/91/33/721189133.db2.gz DMZUGBLZUCURIP-BDTNDASRSA-N 1 0 423.561 2.830 20 0 HFADRO COc1cc2cnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2cc1OC ZINC001164768279 721211307 /nfs/dbraw/zinc/21/13/07/721211307.db2.gz KTLMBUKOWLTPOF-XLIONFOSSA-N 1 0 407.518 2.944 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc4cc(Cl)ccc43)CC2)C1 ZINC001164869858 721269507 /nfs/dbraw/zinc/26/95/07/721269507.db2.gz QOUVDQUQKLRAHP-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c21 ZINC001164767125 721279020 /nfs/dbraw/zinc/27/90/20/721279020.db2.gz GPOASMYDJVLYIF-UHFFFAOYSA-N 1 0 405.502 2.981 20 0 HFADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164768019 721294531 /nfs/dbraw/zinc/29/45/31/721294531.db2.gz DFVYKEMGUOJWRV-UHFFFAOYSA-N 1 0 400.523 2.775 20 0 HFADRO Cc1c[nH]c2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778423 721331187 /nfs/dbraw/zinc/33/11/87/721331187.db2.gz WEMZWTZFTUXMKZ-QFIPXVFZSA-N 1 0 410.522 2.990 20 0 HFADRO COCc1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777715 721344367 /nfs/dbraw/zinc/34/43/67/721344367.db2.gz HOXTVMPILAZUED-JOCHJYFZSA-N 1 0 400.523 2.952 20 0 HFADRO Cc1cc2c(ncnc2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164885004 721379697 /nfs/dbraw/zinc/37/96/97/721379697.db2.gz BLVPXYPUWIPFJH-UWJYYQICSA-N 1 0 401.580 2.765 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885691 721381791 /nfs/dbraw/zinc/38/17/91/721381791.db2.gz CZCXHNIVHHZKEX-VLIAUNLRSA-N 1 0 422.936 2.516 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CCCC5)C3)O2)CC1 ZINC001164894529 721393301 /nfs/dbraw/zinc/39/33/01/721393301.db2.gz YUSGRXPVDWJKCA-VGSWGCGISA-N 1 0 420.001 2.774 20 0 HFADRO Cc1nc2cc(F)ccc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890898 721397709 /nfs/dbraw/zinc/39/77/09/721397709.db2.gz PCQJWXBDRYXNNX-CVDCTZTESA-N 1 0 413.541 2.843 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CC5)n4)C3)O2)CC1 ZINC001164883490 721414405 /nfs/dbraw/zinc/41/44/05/721414405.db2.gz ACSPWRQXUHEJSN-UWJYYQICSA-N 1 0 405.974 2.773 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884034 721415806 /nfs/dbraw/zinc/41/58/06/721415806.db2.gz CZYUVDJXDNATMV-BEFAXECRSA-N 1 0 412.003 2.617 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889571 721440331 /nfs/dbraw/zinc/44/03/31/721440331.db2.gz BTWLBYRHHRUGCV-WIOPSUGQSA-N 1 0 421.589 2.833 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(SC)nn1)CC2 ZINC001164791710 721467411 /nfs/dbraw/zinc/46/74/11/721467411.db2.gz XVONHWSKGDYNTA-GOSISDBHSA-N 1 0 406.596 2.932 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccnc1OC(C)C)CC2 ZINC001164789931 721470130 /nfs/dbraw/zinc/47/01/30/721470130.db2.gz PENWCVXLCVSZCR-HXUWFJFHSA-N 1 0 418.582 2.998 20 0 HFADRO CCOC(=O)c1cc(Cl)nnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899706 721522355 /nfs/dbraw/zinc/52/23/55/721522355.db2.gz LULYQBWSCBERQA-GOEBONIOSA-N 1 0 420.872 2.788 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164794479 721523859 /nfs/dbraw/zinc/52/38/59/721523859.db2.gz DTMYILJUYIAZBM-QHAWAJNXSA-N 1 0 410.518 2.830 20 0 HFADRO COc1cccc2c1ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164806167 721538486 /nfs/dbraw/zinc/53/84/86/721538486.db2.gz OFTAMZNJFOGMCT-IPJJNNNSSA-N 1 0 405.502 2.902 20 0 HFADRO CCOc1ccc(C(=O)OC)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911022 721539595 /nfs/dbraw/zinc/53/95/95/721539595.db2.gz VEMMPUYVCFQIHM-AEFFLSMTSA-N 1 0 415.465 2.748 20 0 HFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc[nH]c5nc(=S)sc4-5)CC[N@@H+]3C2)c1 ZINC001164906829 721550447 /nfs/dbraw/zinc/55/04/47/721550447.db2.gz LMVYHNBDPIWHCS-OCCSQVGLSA-N 1 0 403.508 2.856 20 0 HFADRO COc1ccc2c(c1)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164810480 721554000 /nfs/dbraw/zinc/55/40/00/721554000.db2.gz YLELSKGWFQOGLQ-FSSWDIPSSA-N 1 0 405.502 2.902 20 0 HFADRO CN(C)C(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164907574 721555758 /nfs/dbraw/zinc/55/57/58/721555758.db2.gz OOTLUBPQIIWABX-SJLPKXTDSA-N 1 0 418.900 2.918 20 0 HFADRO [O-][n+]1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001164911278 721566909 /nfs/dbraw/zinc/56/69/09/721566909.db2.gz YNIRAFBPPHDNNA-NVXWUHKLSA-N 1 0 413.827 2.999 20 0 HFADRO CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1cc(C[NH+](C)C)ccn1 ZINC001164902842 721578342 /nfs/dbraw/zinc/57/83/42/721578342.db2.gz JGNHTSMDNVAKCO-OAQYLSRUSA-N 1 0 413.566 2.907 20 0 HFADRO NC(=O)c1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905528 721586164 /nfs/dbraw/zinc/58/61/64/721586164.db2.gz JRFDMJZDYNNWIN-IBGZPJMESA-N 1 0 421.879 2.967 20 0 HFADRO O=C1COc2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2N1 ZINC001164906531 721709718 /nfs/dbraw/zinc/70/97/18/721709718.db2.gz MMQFUVOUKSIOCH-HXUWFJFHSA-N 1 0 415.444 2.545 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cncc(OCc3ccccc3)n2)CC1 ZINC001165007469 721732750 /nfs/dbraw/zinc/73/27/50/721732750.db2.gz DKKZBYBWYVCQMG-UHFFFAOYSA-N 1 0 409.534 2.579 20 0 HFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010610 721735132 /nfs/dbraw/zinc/73/51/32/721735132.db2.gz GTSMMAXFFBVZHG-UHFFFAOYSA-N 1 0 422.957 2.743 20 0 HFADRO COC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165022614 721816150 /nfs/dbraw/zinc/81/61/50/721816150.db2.gz GDRUXGCTHCELCX-IPELMVKDSA-N 1 0 420.517 2.876 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@H]21 ZINC001165025771 721832166 /nfs/dbraw/zinc/83/21/66/721832166.db2.gz NXKNXDQIVRVROU-ILZDJORESA-N 1 0 406.534 2.585 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3c(n2)NC(=O)CO3)CC1 ZINC001165020229 721841563 /nfs/dbraw/zinc/84/15/63/721841563.db2.gz AEDPGGPEAMCDMZ-UHFFFAOYSA-N 1 0 412.490 2.531 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926569 721865297 /nfs/dbraw/zinc/86/52/97/721865297.db2.gz RWRDYJVPGYIHFO-MSOLQXFVSA-N 1 0 401.942 2.924 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926951 721867104 /nfs/dbraw/zinc/86/71/04/721867104.db2.gz TWHYCOIMFYCJJR-LEWJYISDSA-N 1 0 408.525 2.833 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922370 721875779 /nfs/dbraw/zinc/87/57/79/721875779.db2.gz GCWDNQWOPSQNMB-NHCUHLMSSA-N 1 0 403.530 2.939 20 0 HFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932335 721877842 /nfs/dbraw/zinc/87/78/42/721877842.db2.gz IUUCDCCRLMGJPZ-HOTGVXAUSA-N 1 0 417.579 2.699 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc(C(=O)NC2CCCC2)cc1Cl ZINC001164933485 721880841 /nfs/dbraw/zinc/88/08/41/721880841.db2.gz MKAPJPCZRQOPLJ-MOPGFXCFSA-N 1 0 405.974 2.622 20 0 HFADRO CCOC(=O)Cc1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164939065 721928718 /nfs/dbraw/zinc/92/87/18/721928718.db2.gz IAKUJSYRRBFMNY-UHFFFAOYSA-N 1 0 424.545 2.762 20 0 HFADRO CC[C@H]1C(=O)N(C)c2cnc(N(C)CC3CC[NH+](C)CC3)nc2N1C1CCCC1 ZINC001165041271 721933670 /nfs/dbraw/zinc/93/36/70/721933670.db2.gz NSBSWQBFPQCLQJ-SFHVURJKSA-N 1 0 400.571 2.759 20 0 HFADRO CCOC(=O)c1sc2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c2c1C ZINC001165054552 722008443 /nfs/dbraw/zinc/00/84/43/722008443.db2.gz QMMBUNVZHVZTKZ-UHFFFAOYSA-N 1 0 411.531 2.936 20 0 HFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164954882 722013929 /nfs/dbraw/zinc/01/39/29/722013929.db2.gz QGFBRGIRHHHLKN-UHFFFAOYSA-N 1 0 406.490 2.584 20 0 HFADRO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(F)c1 ZINC001164963814 722055409 /nfs/dbraw/zinc/05/54/09/722055409.db2.gz MFYDTLYEGZPZBQ-UHFFFAOYSA-N 1 0 414.481 2.521 20 0 HFADRO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974563 722100391 /nfs/dbraw/zinc/10/03/91/722100391.db2.gz AGOFBYFIXNDYFU-SJLPKXTDSA-N 1 0 416.909 2.644 20 0 HFADRO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976326 722102916 /nfs/dbraw/zinc/10/29/16/722102916.db2.gz CPKRZQWLSNUEGJ-HZPDHXFCSA-N 1 0 409.868 2.797 20 0 HFADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2cnccc12 ZINC001164984364 722104198 /nfs/dbraw/zinc/10/41/98/722104198.db2.gz SUPKHEPUYFXPMQ-LPHOPBHVSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1nc2cccnc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982301 722106475 /nfs/dbraw/zinc/10/64/75/722106475.db2.gz NDXDCTYXARBFRJ-SJLPKXTDSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1nc2cnccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979270 722109087 /nfs/dbraw/zinc/10/90/87/722109087.db2.gz PRFXMGAIRQYLNR-QFBILLFUSA-N 1 0 410.909 2.801 20 0 HFADRO COc1ccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164979197 722118970 /nfs/dbraw/zinc/11/89/70/722118970.db2.gz PMPRURBEKZTDTH-XMSQKQJNSA-N 1 0 405.502 2.761 20 0 HFADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ncccc12 ZINC001164971948 722119442 /nfs/dbraw/zinc/11/94/42/722119442.db2.gz DZCHGSGLLWVXML-SJLPKXTDSA-N 1 0 410.909 2.801 20 0 HFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971955 722120748 /nfs/dbraw/zinc/12/07/48/722120748.db2.gz DZMIANSKPSUCMB-QAPCUYQASA-N 1 0 423.895 2.984 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971912 722121523 /nfs/dbraw/zinc/12/15/23/722121523.db2.gz DMYYLVMEFJDACW-HZPDHXFCSA-N 1 0 405.955 2.974 20 0 HFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164970929 722125900 /nfs/dbraw/zinc/12/59/00/722125900.db2.gz ASUUAMZAYUOZBO-NVXWUHKLSA-N 1 0 423.895 2.984 20 0 HFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983876 722129958 /nfs/dbraw/zinc/12/99/58/722129958.db2.gz VWUFVAXQWCVHQS-VGSWGCGISA-N 1 0 423.492 2.900 20 0 HFADRO COc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21 ZINC001164985490 722140006 /nfs/dbraw/zinc/14/00/06/722140006.db2.gz ZQCJXSLUOZHTIM-WIYYLYMNSA-N 1 0 405.502 2.761 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1CSCC3)CCC2 ZINC001165000527 722251271 /nfs/dbraw/zinc/25/12/71/722251271.db2.gz RCBXIQFPBXAPKT-UHFFFAOYSA-N 1 0 422.986 2.604 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3ccc(Cl)cc31)CCC2 ZINC001165000322 722251335 /nfs/dbraw/zinc/25/13/35/722251335.db2.gz ODZWPJNPGQRWMI-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3cc(Cl)ccc31)CCC2 ZINC001165000619 722252397 /nfs/dbraw/zinc/25/23/97/722252397.db2.gz UTYBJOWWWXGBMG-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3[nH]c4ccccc4c31)CCC2 ZINC001165001836 722253981 /nfs/dbraw/zinc/25/39/81/722253981.db2.gz GTVSSKHJBUENHF-UHFFFAOYSA-N 1 0 405.506 2.796 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(C(C)(C)C)nc3[nH]ccc31)CCC2 ZINC001165003102 722255487 /nfs/dbraw/zinc/25/54/87/722255487.db2.gz ZHTGXPFUZMFESD-UHFFFAOYSA-N 1 0 411.554 2.940 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccccc3F)nn1)CCC2 ZINC001165004842 722257149 /nfs/dbraw/zinc/25/71/49/722257149.db2.gz VVZDHGPUXUOOPR-UHFFFAOYSA-N 1 0 410.497 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cncc(-c3ccc(F)cc3)n1)CCC2 ZINC001165003431 722257958 /nfs/dbraw/zinc/25/79/58/722257958.db2.gz CQSRWEJGDYVERX-UHFFFAOYSA-N 1 0 410.497 2.968 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)NC/C=C\CNC(=O)OC(C)(C)C)CC1 ZINC000790467954 1078045148 /nfs/dbraw/zinc/04/51/48/1078045148.db2.gz NDQGTVBFSQIOJI-FPLPWBNLSA-N 1 0 403.527 2.641 20 0 HFADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790499594 1078045244 /nfs/dbraw/zinc/04/52/44/1078045244.db2.gz DJKUGTMARQVYGA-QFIPXVFZSA-N 1 0 405.502 2.745 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000790467625 1078045315 /nfs/dbraw/zinc/04/53/15/1078045315.db2.gz IGIVVYDLDSWMBO-QFIPXVFZSA-N 1 0 419.591 2.585 20 0 HFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000793018368 1078050696 /nfs/dbraw/zinc/05/06/96/1078050696.db2.gz DGHHLYNYQXPCTO-OLZOCXBDSA-N 1 0 409.328 2.552 20 0 HFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000747096177 1078051258 /nfs/dbraw/zinc/05/12/58/1078051258.db2.gz OWQXILBJEPMHCY-NRFANRHFSA-N 1 0 410.518 2.825 20 0 HFADRO NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000747099623 1078051723 /nfs/dbraw/zinc/05/17/23/1078051723.db2.gz LCGCEMMXEAYRLR-UHFFFAOYSA-N 1 0 420.560 2.569 20 0 HFADRO O=S(=O)(CC[NH2+]Cc1cccc(I)c1)Cc1ccccc1 ZINC000790531187 1078051894 /nfs/dbraw/zinc/05/18/94/1078051894.db2.gz MXYSRUNUVXRPLE-UHFFFAOYSA-N 1 0 415.296 2.996 20 0 HFADRO Cn1c2ccc(C[NH2+]CCCN3CCN(C(=O)OC(C)(C)C)CC3)cc2sc1=O ZINC000793042762 1078054108 /nfs/dbraw/zinc/05/41/08/1078054108.db2.gz JYHJRFKKAUQBFR-UHFFFAOYSA-N 1 0 420.579 2.632 20 0 HFADRO COC(=O)c1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1Br ZINC000772825846 1078054501 /nfs/dbraw/zinc/05/45/01/1078054501.db2.gz DFTKSRXSTGRIPE-UKRRQHHQSA-N 1 0 411.344 2.647 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)c2nc(Br)ccc2Br)n1 ZINC000790541470 1078059195 /nfs/dbraw/zinc/05/91/95/1078059195.db2.gz RGLDAKYWSQDJRF-UHFFFAOYSA-N 1 0 417.105 2.617 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000793082953 1078063947 /nfs/dbraw/zinc/06/39/47/1078063947.db2.gz RVUKNWVEHLXFDB-UHFFFAOYSA-N 1 0 405.536 2.880 20 0 HFADRO CC(C)n1nccc1CN1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000793087260 1078065291 /nfs/dbraw/zinc/06/52/91/1078065291.db2.gz GVTJGTRHZXJSRV-QGZVFWFLSA-N 1 0 405.543 2.508 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000793087387 1078065313 /nfs/dbraw/zinc/06/53/13/1078065313.db2.gz YCHJHZJBZDOZCN-NRJQMVOHSA-N 1 0 400.523 2.712 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000793091491 1078066944 /nfs/dbraw/zinc/06/69/44/1078066944.db2.gz HYXGUXBTAGNBGV-PERKRYKHSA-N 1 0 400.523 2.570 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(Cl)cc2OC)cc1 ZINC000793110660 1078081809 /nfs/dbraw/zinc/08/18/09/1078081809.db2.gz PAPODYGDHKMXLD-KRWDZBQOSA-N 1 0 405.882 2.715 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)CC1 ZINC000790653981 1078094225 /nfs/dbraw/zinc/09/42/25/1078094225.db2.gz XARUQHFMUZJNRO-IBGZPJMESA-N 1 0 415.559 2.595 20 0 HFADRO Cn1cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000793181329 1078095630 /nfs/dbraw/zinc/09/56/30/1078095630.db2.gz BTGSHUFHGDWWMR-JOCHJYFZSA-N 1 0 423.517 2.917 20 0 HFADRO COCC1(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790770390 1078111051 /nfs/dbraw/zinc/11/10/51/1078111051.db2.gz QSTUMVVYLCPWJC-DLBZAZTESA-N 1 0 424.586 2.575 20 0 HFADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000790738241 1078120096 /nfs/dbraw/zinc/12/00/96/1078120096.db2.gz FOPKTADFFZMTPH-NMNUPHIUSA-N 1 0 411.521 2.806 20 0 HFADRO C[C@]12CCN(C(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)C[C@H]1C2(Cl)Cl ZINC000790812992 1078127147 /nfs/dbraw/zinc/12/71/47/1078127147.db2.gz JDJFHJCYZZJPRF-LMMKCTJWSA-N 1 0 412.361 2.979 20 0 HFADRO C[C@@H](CNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000790772170 1078129558 /nfs/dbraw/zinc/12/95/58/1078129558.db2.gz XCWGTCNGPXLDGN-ZDUSSCGKSA-N 1 0 421.485 2.783 20 0 HFADRO CS[C@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@H]1[NH+](C)C ZINC000790823946 1078157234 /nfs/dbraw/zinc/15/72/34/1078157234.db2.gz GQJHGTDBFJOEFH-ZJUUUORDSA-N 1 0 423.174 2.724 20 0 HFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793384927 1078162230 /nfs/dbraw/zinc/16/22/30/1078162230.db2.gz QBKJLJNJCUMCFV-PMACEKPBSA-N 1 0 410.518 2.521 20 0 HFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793436074 1078171776 /nfs/dbraw/zinc/17/17/76/1078171776.db2.gz MTGLESJSYLUKBJ-PMACEKPBSA-N 1 0 412.534 2.625 20 0 HFADRO COCC1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793460381 1078179207 /nfs/dbraw/zinc/17/92/07/1078179207.db2.gz BWZLEKJHFIGAJT-SFHVURJKSA-N 1 0 409.571 2.737 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793476231 1078185909 /nfs/dbraw/zinc/18/59/09/1078185909.db2.gz DJOBRZMKHCBWFU-SLFFLAALSA-N 1 0 410.518 2.569 20 0 HFADRO CN(C(=O)c1cnn(CCO)c1-c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000793484602 1078189935 /nfs/dbraw/zinc/18/99/35/1078189935.db2.gz WCJJGZJLZLONOK-UHFFFAOYSA-N 1 0 408.502 2.759 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000793513898 1078196112 /nfs/dbraw/zinc/19/61/12/1078196112.db2.gz UQYAZAIVAACKOX-CYBMUJFWSA-N 1 0 404.552 2.547 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000793515344 1078197379 /nfs/dbraw/zinc/19/73/79/1078197379.db2.gz DOPPYYYXTYEVEN-LEWJYISDSA-N 1 0 411.502 2.998 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000793516857 1078197601 /nfs/dbraw/zinc/19/76/01/1078197601.db2.gz JCLKZTWADWWVTD-UWJYYQICSA-N 1 0 409.502 2.763 20 0 HFADRO CC(C)C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[NH+](C)C ZINC000793499019 1078203349 /nfs/dbraw/zinc/20/33/49/1078203349.db2.gz ROWLZMSUJHPTIH-VAMGGRTRSA-N 1 0 412.534 2.671 20 0 HFADRO C[NH+](C)C1(CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)Cc2ccccc2C1 ZINC000793553277 1078208826 /nfs/dbraw/zinc/20/88/26/1078208826.db2.gz KIWAAEFJKFBXAH-GOSISDBHSA-N 1 0 401.551 2.847 20 0 HFADRO COc1cc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000793570207 1078212151 /nfs/dbraw/zinc/21/21/51/1078212151.db2.gz PGMCPHGRJIXNML-RBOXIYTFSA-N 1 0 409.495 2.500 20 0 HFADRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c(Br)c1 ZINC000793587590 1078216158 /nfs/dbraw/zinc/21/61/58/1078216158.db2.gz HVSITLBLTQRGEG-RDJZCZTQSA-N 1 0 422.323 2.915 20 0 HFADRO COCC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793572863 1078225325 /nfs/dbraw/zinc/22/53/25/1078225325.db2.gz NFABWEZNOJJHRJ-AYHJJNSGSA-N 1 0 409.571 2.782 20 0 HFADRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170435481 1078225375 /nfs/dbraw/zinc/22/53/75/1078225375.db2.gz PQQIUBVPFCVOJG-LJQANCHMSA-N 1 0 418.582 2.785 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)C1 ZINC000793604704 1078222548 /nfs/dbraw/zinc/22/25/48/1078222548.db2.gz MBWNIIJQKLTLPD-HXUWFJFHSA-N 1 0 408.568 2.813 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]CC3CCC4(CC3)OCCO4)c2)C1=O ZINC000793606477 1078223762 /nfs/dbraw/zinc/22/37/62/1078223762.db2.gz LQFMMKZKQQQUBI-QFIPXVFZSA-N 1 0 413.518 2.934 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000793609487 1078227563 /nfs/dbraw/zinc/22/75/63/1078227563.db2.gz KUUVBHSXAUOQIP-GOTSBHOMSA-N 1 0 423.557 2.656 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000793644681 1078240006 /nfs/dbraw/zinc/24/00/06/1078240006.db2.gz OPJPTBBJXOWSNI-IBGZPJMESA-N 1 0 423.557 2.727 20 0 HFADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCc3ccn(-c4ccccc4)n3)CC2)CC1 ZINC000793670326 1078246504 /nfs/dbraw/zinc/24/65/04/1078246504.db2.gz QPZHORYOFJMRJH-UHFFFAOYSA-N 1 0 423.561 2.648 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)CC[C@@H]21 ZINC000793676962 1078250880 /nfs/dbraw/zinc/25/08/80/1078250880.db2.gz FYRZTIRWBZIDRQ-ZBFHGGJFSA-N 1 0 408.568 2.767 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCN1C(=O)OC(C)(C)C ZINC000793686190 1078255785 /nfs/dbraw/zinc/25/57/85/1078255785.db2.gz ICXRRKWPMHSDMO-QGZVKYPTSA-N 1 0 423.598 2.906 20 0 HFADRO C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@H]1CN(C)CCO1 ZINC000793689194 1078257216 /nfs/dbraw/zinc/25/72/16/1078257216.db2.gz KTJIVFRXGNRLBC-DNVCBOLYSA-N 1 0 403.523 2.823 20 0 HFADRO CCN1C(=O)CN(CN2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)C1=O ZINC000793726719 1078268248 /nfs/dbraw/zinc/26/82/48/1078268248.db2.gz YJWKIUHOULKREO-OAQYLSRUSA-N 1 0 400.567 2.893 20 0 HFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793726982 1078268281 /nfs/dbraw/zinc/26/82/81/1078268281.db2.gz UXZQCQZLVWLBML-DHIUTWEWSA-N 1 0 423.557 2.560 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000793712733 1078261778 /nfs/dbraw/zinc/26/17/78/1078261778.db2.gz KHQJJXZSZRNUJC-IBGZPJMESA-N 1 0 409.530 2.693 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1)[NH+]1CCCCC1 ZINC000793715260 1078262363 /nfs/dbraw/zinc/26/23/63/1078262363.db2.gz XFXPEMJKNLLNKH-CYBMUJFWSA-N 1 0 414.319 2.537 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1)[NH+]1CCCCC1 ZINC000793714854 1078262387 /nfs/dbraw/zinc/26/23/87/1078262387.db2.gz UNPFEMNSQLOSNY-INIZCTEOSA-N 1 0 414.481 2.620 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCC1(c2c(F)cccc2F)CCCC1)[NH+]1CCCCC1 ZINC000793721414 1078265172 /nfs/dbraw/zinc/26/51/72/1078265172.db2.gz JIFQLZXDQBONCF-MRXNPFEDSA-N 1 0 407.505 2.883 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1)[NH+]1CCCCC1 ZINC000793723276 1078266220 /nfs/dbraw/zinc/26/62/20/1078266220.db2.gz LYAMLKTZNUTOQJ-ZIAGYGMSSA-N 1 0 401.429 2.753 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793692775 1078270084 /nfs/dbraw/zinc/27/00/84/1078270084.db2.gz DTKSTBUAOKSVMI-DYXWJJEUSA-N 1 0 409.530 2.597 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000793697870 1078272500 /nfs/dbraw/zinc/27/25/00/1078272500.db2.gz RZKUVOLWBJYARJ-SVFBPWRDSA-N 1 0 409.530 2.739 20 0 HFADRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CC[C@H](CS(C)(=O)=O)C2)c1=S ZINC000793697664 1078272711 /nfs/dbraw/zinc/27/27/11/1078272711.db2.gz LSABKOFEOYLQSM-HOTGVXAUSA-N 1 0 417.645 2.551 20 0 HFADRO COc1cccc(C2(CNC(=O)C(=O)NC[C@@H](C)[NH+]3CCCCC3)CCCC2)c1 ZINC000793702144 1078274356 /nfs/dbraw/zinc/27/43/56/1078274356.db2.gz SMDOBFWCTHKRRN-GOSISDBHSA-N 1 0 401.551 2.614 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000793702734 1078275318 /nfs/dbraw/zinc/27/53/18/1078275318.db2.gz PXDZNOKHUDLWQS-KXBFYZLASA-N 1 0 403.910 2.643 20 0 HFADRO CCCn1c2nn(CN3CC[C@]4(CC[N@H+](C)C4)C3)c(=S)n2c2ccccc2c1=O ZINC000793746083 1078289078 /nfs/dbraw/zinc/28/90/78/1078289078.db2.gz PWFMKWOXOOVMDU-NRFANRHFSA-N 1 0 412.563 2.575 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000793783546 1078293228 /nfs/dbraw/zinc/29/32/28/1078293228.db2.gz TZEUHUZTIZMVFJ-FQEVSTJZSA-N 1 0 415.578 2.993 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000793787873 1078296460 /nfs/dbraw/zinc/29/64/60/1078296460.db2.gz DJQVHXYUOHXDIL-LJQANCHMSA-N 1 0 423.598 2.983 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793793431 1078299021 /nfs/dbraw/zinc/29/90/21/1078299021.db2.gz REKWOCGHOYNEPH-JAXLGGSGSA-N 1 0 423.557 2.905 20 0 HFADRO CCCc1ccc(N2C[C@H](C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)CC2=O)cc1 ZINC000747147397 1078308445 /nfs/dbraw/zinc/30/84/45/1078308445.db2.gz ZQMIPTGUIQIHBK-RYFAJOAYSA-N 1 0 413.562 2.702 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000793777844 1078309143 /nfs/dbraw/zinc/30/91/43/1078309143.db2.gz HEDORUXGBAUMRG-ZVDOUQERSA-N 1 0 409.530 2.830 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000793778700 1078309676 /nfs/dbraw/zinc/30/96/76/1078309676.db2.gz JNUOKNIUEMDIHI-UNMCSNQZSA-N 1 0 423.557 2.559 20 0 HFADRO [NH2+]=C(NOCc1cccc(Br)n1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000793845956 1078313230 /nfs/dbraw/zinc/31/32/30/1078313230.db2.gz YMFDXTZKJAIPIZ-INIZCTEOSA-N 1 0 405.296 2.744 20 0 HFADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000793813354 1078315298 /nfs/dbraw/zinc/31/52/98/1078315298.db2.gz IIUAGUPSJLRRRB-KRWDZBQOSA-N 1 0 411.468 2.869 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)([NH+](C)C)C1 ZINC000793812668 1078315388 /nfs/dbraw/zinc/31/53/88/1078315388.db2.gz MDROIYGSEGNOFT-ZHRMCQFGSA-N 1 0 415.578 2.897 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2nccn2C[C@@H](CN2CCCC2=O)C1 ZINC001170438555 1078322446 /nfs/dbraw/zinc/32/24/46/1078322446.db2.gz TYVOBYXIPWEXFV-RBUKOAKNSA-N 1 0 410.518 2.687 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(C1)COCCN(CCOC)C2 ZINC001170438543 1078322557 /nfs/dbraw/zinc/32/25/57/1078322557.db2.gz TXJQREBOZIDUJR-NFBKMPQASA-N 1 0 404.551 2.797 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCC3)[C@@H]2C1 ZINC001170438953 1078325611 /nfs/dbraw/zinc/32/56/11/1078325611.db2.gz WMVLQSYGGAQKEA-IYWMVGAKSA-N 1 0 400.519 2.553 20 0 HFADRO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000772838703 1078329610 /nfs/dbraw/zinc/32/96/10/1078329610.db2.gz UVSOYYICQDQJAX-JBACZVJFSA-N 1 0 402.922 2.763 20 0 HFADRO COc1cc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000793867297 1078328043 /nfs/dbraw/zinc/32/80/43/1078328043.db2.gz JQLODTOMAVIYFO-DEOSSOPVSA-N 1 0 409.530 2.648 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000793868368 1078328387 /nfs/dbraw/zinc/32/83/87/1078328387.db2.gz OBAGQOKWGCQZBS-HSZRJFAPSA-N 1 0 423.557 2.727 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[N@@H+]1C ZINC000793868891 1078328528 /nfs/dbraw/zinc/32/85/28/1078328528.db2.gz GFICKWUFWPENJS-PXNSSMCTSA-N 1 0 414.594 2.668 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793873425 1078330035 /nfs/dbraw/zinc/33/00/35/1078330035.db2.gz AVWILERHXNGMPI-SJORKVTESA-N 1 0 405.539 2.880 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793873907 1078330778 /nfs/dbraw/zinc/33/07/78/1078330778.db2.gz DJEQQBLRRGXYCR-KSZLIROESA-N 1 0 411.587 2.573 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000793875476 1078331047 /nfs/dbraw/zinc/33/10/47/1078331047.db2.gz RLQYPXBIEAANSN-RDGPPVDQSA-N 1 0 411.587 2.573 20 0 HFADRO COCN1C(=O)CCc2cc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)ccc21 ZINC000793907998 1078334728 /nfs/dbraw/zinc/33/47/28/1078334728.db2.gz CCYCBEIUWKJYDE-UHFFFAOYSA-N 1 0 401.507 2.543 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000793913351 1078336298 /nfs/dbraw/zinc/33/62/98/1078336298.db2.gz QTJZPPCZCMVRCM-AZUAARDMSA-N 1 0 403.567 2.504 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170439926 1078341974 /nfs/dbraw/zinc/34/19/74/1078341974.db2.gz ANHDWUKFASBZDX-SRYPRDQNSA-N 1 0 423.513 2.793 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000793948766 1078344645 /nfs/dbraw/zinc/34/46/45/1078344645.db2.gz LAHUWWWQCSIRFD-VQTJNVASSA-N 1 0 407.599 2.526 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001170440299 1078347947 /nfs/dbraw/zinc/34/79/47/1078347947.db2.gz CMFVEFJANLZIKR-PXCRPINLSA-N 1 0 400.519 2.981 20 0 HFADRO C[C@H]1C[N@H+](CCCNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000793965871 1078348828 /nfs/dbraw/zinc/34/88/28/1078348828.db2.gz ISKIAEZLQGDNTN-CVDCTZTESA-N 1 0 417.550 2.652 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001170440383 1078349080 /nfs/dbraw/zinc/34/90/80/1078349080.db2.gz CLQNBANCAPZFMG-SOAMZJECSA-N 1 0 402.491 2.522 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000793948053 1078355628 /nfs/dbraw/zinc/35/56/28/1078355628.db2.gz JIZWUCFFHBSIQM-ZCNNSNEGSA-N 1 0 407.599 2.526 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000793948045 1078355679 /nfs/dbraw/zinc/35/56/79/1078355679.db2.gz JIZWUCFFHBSIQM-UFYCRDLUSA-N 1 0 407.599 2.526 20 0 HFADRO COCCCN(C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000794052407 1078366354 /nfs/dbraw/zinc/36/63/54/1078366354.db2.gz VQBYVALMEZCKCN-KRWDZBQOSA-N 1 0 423.501 2.551 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 ZINC001170444696 1078391379 /nfs/dbraw/zinc/39/13/79/1078391379.db2.gz ULRALUUVWAYBPJ-RTBURBONSA-N 1 0 410.518 2.608 20 0 HFADRO COc1ccc(CN2CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC2)cc1 ZINC001170444354 1078395206 /nfs/dbraw/zinc/39/52/06/1078395206.db2.gz YPRUQNBGPIYBGS-UPVQGACJSA-N 1 0 419.610 2.608 20 0 HFADRO CC[N@H+](CCN1CCc2ccccc21)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000794270459 1078397760 /nfs/dbraw/zinc/39/77/60/1078397760.db2.gz GHXAXSOPVOAAKC-UHFFFAOYSA-N 1 0 408.546 2.846 20 0 HFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N(CC)CC)c1 ZINC000794272823 1078398020 /nfs/dbraw/zinc/39/80/20/1078398020.db2.gz ZVZDQVNJXDWQOR-HNNXBMFYSA-N 1 0 401.548 2.706 20 0 HFADRO CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC000794292882 1078402535 /nfs/dbraw/zinc/40/25/35/1078402535.db2.gz KOFXUKXJSPBTAE-QGZVFWFLSA-N 1 0 420.554 2.837 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000794344752 1078420934 /nfs/dbraw/zinc/42/09/34/1078420934.db2.gz NRRLNNHTDBWHFR-KRWDZBQOSA-N 1 0 418.538 2.776 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000804374610 1078439288 /nfs/dbraw/zinc/43/92/88/1078439288.db2.gz CCSILXXANQIGSP-FHLIZLRMSA-N 1 0 403.498 2.793 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000804382210 1078440861 /nfs/dbraw/zinc/44/08/61/1078440861.db2.gz YPIXDIXHEOYWFA-OAHLLOKOSA-N 1 0 403.552 2.575 20 0 HFADRO CC[N@@H+]1CCN(C(=O)C[C@](O)(c2nc3ccccc3s2)C(F)(F)F)[C@@H](C)C1 ZINC000804379261 1078454676 /nfs/dbraw/zinc/45/46/76/1078454676.db2.gz ITKXSNGDEFMLKU-SJCJKPOMSA-N 1 0 401.454 2.989 20 0 HFADRO O=C(CNC(=O)c1cnc(-c2c(F)cccc2F)s1)NCC[NH+]1CCCCCC1 ZINC001129457494 1078461379 /nfs/dbraw/zinc/46/13/79/1078461379.db2.gz DRZXFMVLIDVSQS-UHFFFAOYSA-N 1 0 422.501 2.810 20 0 HFADRO CC[C@H](Sc1nc(CC(=O)N(CC(C)C)C2CC[NH+](C)CC2)cs1)C(N)=O ZINC001129459360 1078486316 /nfs/dbraw/zinc/48/63/16/1078486316.db2.gz IXESHWOBEDTMRL-INIZCTEOSA-N 1 0 412.625 2.620 20 0 HFADRO C[C@@](O)(CC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000804447431 1078513746 /nfs/dbraw/zinc/51/37/46/1078513746.db2.gz FMIUSTNKJPPLMU-ILBGXUMGSA-N 1 0 407.558 2.703 20 0 HFADRO O=C(CN1CCOCC1=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001129526902 1078519761 /nfs/dbraw/zinc/51/97/61/1078519761.db2.gz FDGYDRMOPDINMY-JOCHJYFZSA-N 1 0 413.562 2.529 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)c1 ZINC001129548700 1078539413 /nfs/dbraw/zinc/53/94/13/1078539413.db2.gz SSOIGYWPWBVIGS-LUAWRHEFSA-N 1 0 422.485 2.950 20 0 HFADRO CCS(=O)(=O)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001129863778 1078541537 /nfs/dbraw/zinc/54/15/37/1078541537.db2.gz ZGCXYVWDPVCIQX-RTBURBONSA-N 1 0 420.600 2.905 20 0 HFADRO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@@H](CC)Cc2ccc3c(c2)OCO3)n1 ZINC001170454650 1078542361 /nfs/dbraw/zinc/54/23/61/1078542361.db2.gz CITJQNHVLOPJKS-CVEARBPZSA-N 1 0 400.479 2.844 20 0 HFADRO C[C@@H]1NC(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)=NN(c2ccccc2)C1=O ZINC000747192041 1078547724 /nfs/dbraw/zinc/54/77/24/1078547724.db2.gz URZSRLBQQAIQIW-INIZCTEOSA-N 1 0 423.542 2.512 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804524144 1078562976 /nfs/dbraw/zinc/56/29/76/1078562976.db2.gz LFHCASNTWBETSD-OTNPHJDUSA-N 1 0 422.529 2.664 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3Cc4ccc(Cl)cc43)cc2)CC1 ZINC001129871691 1078568789 /nfs/dbraw/zinc/56/87/89/1078568789.db2.gz HKTGQMCGJQFZTG-OAQYLSRUSA-N 1 0 411.933 2.993 20 0 HFADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001129599595 1078573845 /nfs/dbraw/zinc/57/38/45/1078573845.db2.gz NRFKBWHOCQIWLU-PXDATVDWSA-N 1 0 405.542 2.863 20 0 HFADRO Cn1cc(CCC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC001129611159 1078581884 /nfs/dbraw/zinc/58/18/84/1078581884.db2.gz FLYSRJAZWLXLLU-UHFFFAOYSA-N 1 0 415.969 2.819 20 0 HFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731260 1078589168 /nfs/dbraw/zinc/58/91/68/1078589168.db2.gz LCFNYZPBWJTGFE-AEFFLSMTSA-N 1 0 409.452 2.622 20 0 HFADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731262 1078589350 /nfs/dbraw/zinc/58/93/50/1078589350.db2.gz LCFNYZPBWJTGFE-SJLPKXTDSA-N 1 0 409.452 2.622 20 0 HFADRO CC[C@@H]1CC([NH2+]CCNC(=O)N2CCOCC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170465577 1078596018 /nfs/dbraw/zinc/59/60/18/1078596018.db2.gz PXTIWFJVVHPZFN-QZTJIDSGSA-N 1 0 412.575 2.575 20 0 HFADRO CN(C(=O)/C=C\c1ccc(I)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564840 1078599656 /nfs/dbraw/zinc/59/96/56/1078599656.db2.gz PPNYYASIBSLAKN-ZBGKIXFSSA-N 1 0 400.260 2.981 20 0 HFADRO Cc1ccc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001129628764 1078601911 /nfs/dbraw/zinc/60/19/11/1078601911.db2.gz YZKCYZDCXPLUDQ-UHFFFAOYSA-N 1 0 407.580 2.774 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@H]1C ZINC000804777115 1078603054 /nfs/dbraw/zinc/60/30/54/1078603054.db2.gz QOMBPWLUKDSZCQ-OWCLPIDISA-N 1 0 403.523 2.903 20 0 HFADRO CN1C(=O)C[C@H](C(=O)NCc2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001129666648 1078626874 /nfs/dbraw/zinc/62/68/74/1078626874.db2.gz FFDRLGWYMHVJHL-KXBFYZLASA-N 1 0 400.841 2.963 20 0 HFADRO CCS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc3c[nH+]cn3c2)c1 ZINC001129667803 1078627360 /nfs/dbraw/zinc/62/73/60/1078627360.db2.gz JSFHYRYHXDQIRE-UHFFFAOYSA-N 1 0 422.304 2.820 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC001129647103 1078635772 /nfs/dbraw/zinc/63/57/72/1078635772.db2.gz LPIILUZDJRWYSH-QUCCMNQESA-N 1 0 400.523 2.791 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC001129961880 1078635987 /nfs/dbraw/zinc/63/59/87/1078635987.db2.gz FQSJWSUUYJPUMV-UHFFFAOYSA-N 1 0 422.367 2.757 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000747216875 1078659848 /nfs/dbraw/zinc/65/98/48/1078659848.db2.gz AXZBWDLPNJKUCN-YLJYHZDGSA-N 1 0 424.467 2.822 20 0 HFADRO CC(=O)c1ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(S(N)(=O)=O)c1 ZINC000804811878 1078657063 /nfs/dbraw/zinc/65/70/63/1078657063.db2.gz FRLCBQVLHAWULH-JOCHJYFZSA-N 1 0 413.543 2.639 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000804830060 1078670808 /nfs/dbraw/zinc/67/08/08/1078670808.db2.gz OHGRPYJIAIPBLR-PKOBYXMFSA-N 1 0 400.567 2.528 20 0 HFADRO CC[NH+](CC)[C@@H](C(=O)NCc1nc2ncccn2n1)c1cccc(C(F)(F)F)c1 ZINC001129971538 1078676506 /nfs/dbraw/zinc/67/65/06/1078676506.db2.gz MKEXWQGCDUUQHG-MRXNPFEDSA-N 1 0 406.412 2.842 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cccnc2SC(F)F)CC1 ZINC000804626734 1078680001 /nfs/dbraw/zinc/68/00/01/1078680001.db2.gz OKLRLDYVHDOBEW-UHFFFAOYSA-N 1 0 403.495 2.596 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000804626945 1078680079 /nfs/dbraw/zinc/68/00/79/1078680079.db2.gz VYZRCKLNGOYEEZ-UHFFFAOYSA-N 1 0 421.485 2.893 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)CCC[N@H+](C)Cc3ccco3)C2)c1 ZINC000804868109 1078692175 /nfs/dbraw/zinc/69/21/75/1078692175.db2.gz VVUQBRNFHUTESN-OAQYLSRUSA-N 1 0 415.490 2.770 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000804644606 1078697224 /nfs/dbraw/zinc/69/72/24/1078697224.db2.gz KTAVKLWLUWTCQM-QNIAMRLHSA-N 1 0 423.557 2.570 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000804643973 1078698766 /nfs/dbraw/zinc/69/87/66/1078698766.db2.gz UXBJSVBQMAWZDD-NRSPTQNISA-N 1 0 406.530 2.567 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000804637379 1078722073 /nfs/dbraw/zinc/72/20/73/1078722073.db2.gz JKWSVAIRWVXSIL-NHCUHLMSSA-N 1 0 424.501 2.757 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)c1cccc(OC)c1 ZINC000804900039 1078755848 /nfs/dbraw/zinc/75/58/48/1078755848.db2.gz XAXKPTNCAYHDFL-HXUWFJFHSA-N 1 0 420.554 2.856 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CC1 ZINC000804943401 1078770638 /nfs/dbraw/zinc/77/06/38/1078770638.db2.gz HRJCMTCBRGXQCB-UYAOXDASSA-N 1 0 406.530 2.739 20 0 HFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC1 ZINC000804944851 1078771341 /nfs/dbraw/zinc/77/13/41/1078771341.db2.gz JJIFRVSXCHLMCU-DFBJGRDBSA-N 1 0 423.557 2.742 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000804944623 1078771765 /nfs/dbraw/zinc/77/17/65/1078771765.db2.gz ZVIKCEGWWDCHOP-AZUAARDMSA-N 1 0 403.523 2.831 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)no1 ZINC000804944393 1078771808 /nfs/dbraw/zinc/77/18/08/1078771808.db2.gz PWDLBMPDWKAUDI-UTKZUKDTSA-N 1 0 410.518 2.988 20 0 HFADRO O=C(NCCSC(F)(F)F)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804962044 1078801116 /nfs/dbraw/zinc/80/11/16/1078801116.db2.gz UDHRNWOUPZDRSZ-KRWDZBQOSA-N 1 0 416.513 2.841 20 0 HFADRO COC(=O)N1CCC[C@@H](NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000805051228 1078865319 /nfs/dbraw/zinc/86/53/19/1078865319.db2.gz UFMMWUJLUGQHHP-DENIHFKCSA-N 1 0 400.523 2.525 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000805100048 1078886002 /nfs/dbraw/zinc/88/60/02/1078886002.db2.gz RCFTZVRQLXOJMK-UWJYYQICSA-N 1 0 412.575 2.576 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000805110836 1078895160 /nfs/dbraw/zinc/89/51/60/1078895160.db2.gz KWCBHLSQTQIDQN-JQWIXIFHSA-N 1 0 408.749 2.745 20 0 HFADRO O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000805075257 1078907353 /nfs/dbraw/zinc/90/73/53/1078907353.db2.gz VNCJEXQFSHMMLS-ZCNNSNEGSA-N 1 0 407.942 2.970 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000805122468 1078921639 /nfs/dbraw/zinc/92/16/39/1078921639.db2.gz XUEIEIBOYCQTAC-QGZVFWFLSA-N 1 0 402.438 2.779 20 0 HFADRO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000747230761 1078946871 /nfs/dbraw/zinc/94/68/71/1078946871.db2.gz XXMYTKUDSPKBSU-QHCPKHFHSA-N 1 0 411.546 2.912 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000805159468 1078951372 /nfs/dbraw/zinc/95/13/72/1078951372.db2.gz HOZHKGZHPMEEDI-UHFFFAOYSA-N 1 0 419.541 2.537 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000805179813 1078964191 /nfs/dbraw/zinc/96/41/91/1078964191.db2.gz RVOCSZJEIVFSRA-GOTSBHOMSA-N 1 0 410.562 2.570 20 0 HFADRO C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000805184095 1078965711 /nfs/dbraw/zinc/96/57/11/1078965711.db2.gz OQBUHZRBXFACSB-VGWMRTNUSA-N 1 0 406.493 2.594 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000747234281 1078989831 /nfs/dbraw/zinc/98/98/31/1078989831.db2.gz NZPLMMUTFDAMBX-CVEARBPZSA-N 1 0 400.500 2.779 20 0 HFADRO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000747236374 1078993674 /nfs/dbraw/zinc/99/36/74/1078993674.db2.gz LYWXUHFXRYPOAI-IRXDYDNUSA-N 1 0 408.424 2.793 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000805332861 1079022727 /nfs/dbraw/zinc/02/27/27/1079022727.db2.gz BNIZLFGBRWSGHK-LPHOPBHVSA-N 1 0 423.554 2.699 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805436990 1079063949 /nfs/dbraw/zinc/06/39/49/1079063949.db2.gz FILGMVDNLXCFIJ-QFIPXVFZSA-N 1 0 402.539 2.676 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000747247834 1079110660 /nfs/dbraw/zinc/11/06/60/1079110660.db2.gz PJZALZNGTKKEAD-VKABTOIXSA-N 1 0 408.564 2.909 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCOc2ccc(SC)cc2)CC1=O ZINC000805542173 1079131057 /nfs/dbraw/zinc/13/10/57/1079131057.db2.gz IGBMAGFGZZWRCD-IAGOWNOFSA-N 1 0 406.548 2.663 20 0 HFADRO Cc1sc2ncnc(N3CCC(C(=O)NC[C@H]4C[C@@H]([NH+](C)C)C4)CC3)c2c1C ZINC001130259460 1079147911 /nfs/dbraw/zinc/14/79/11/1079147911.db2.gz DTZMXCMKNDZTTM-WOVMCDHWSA-N 1 0 401.580 2.981 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000747248365 1079146314 /nfs/dbraw/zinc/14/63/14/1079146314.db2.gz NVSVTPVAFZEPQB-JLHYYAGUSA-N 1 0 420.506 2.764 20 0 HFADRO COc1ccc(C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1-n1cnnn1 ZINC001130258434 1079146776 /nfs/dbraw/zinc/14/67/76/1079146776.db2.gz XMLUWFZTBCBBLR-FQEVSTJZSA-N 1 0 420.517 2.796 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000747253606 1079152905 /nfs/dbraw/zinc/15/29/05/1079152905.db2.gz MULSYFNVLRNKCS-XWVQWJPGSA-N 1 0 406.548 2.899 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001130302217 1079194283 /nfs/dbraw/zinc/19/42/83/1079194283.db2.gz YFJIGPRLFHXZRR-UXHICEINSA-N 1 0 405.489 2.950 20 0 HFADRO Cc1cccc2c(CCNC(=O)C(=O)N(CCc3ccccc3)CC[NH+](C)C)c[nH]c21 ZINC000805663120 1079209571 /nfs/dbraw/zinc/20/95/71/1079209571.db2.gz QKDLMZIYDKIFQJ-UHFFFAOYSA-N 1 0 420.557 2.768 20 0 HFADRO CCCOc1nc(Cl)nc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)n1 ZINC001170486751 1079214139 /nfs/dbraw/zinc/21/41/39/1079214139.db2.gz OQKXYJKSJLRCCD-WLYUNCDWSA-N 1 0 418.929 2.685 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)C2 ZINC000805792406 1079257442 /nfs/dbraw/zinc/25/74/42/1079257442.db2.gz BLKBOVHVUKWQFF-YYDVJCTNSA-N 1 0 421.582 2.879 20 0 HFADRO C[C@H]1Oc2ccccc2N(CCC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001130393001 1079273315 /nfs/dbraw/zinc/27/33/15/1079273315.db2.gz DICQHXJZOFVJIZ-HOYKHHGWSA-N 1 0 407.514 2.971 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000805763790 1079266032 /nfs/dbraw/zinc/26/60/32/1079266032.db2.gz PMKZWJMKJNBOQS-IAGOWNOFSA-N 1 0 422.522 2.924 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000805766605 1079267349 /nfs/dbraw/zinc/26/73/49/1079267349.db2.gz AGIRMSVOKJEDLP-UWJYYQICSA-N 1 0 410.518 2.707 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000805765965 1079268287 /nfs/dbraw/zinc/26/82/87/1079268287.db2.gz UJGJJJZOSKEWCB-ZDUSSCGKSA-N 1 0 424.464 2.534 20 0 HFADRO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)CC(F)(F)Br)CC2)cc1 ZINC000805835903 1079275287 /nfs/dbraw/zinc/27/52/87/1079275287.db2.gz WCYWEGAYBBMLEZ-UHFFFAOYSA-N 1 0 418.326 2.949 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805826664 1079295690 /nfs/dbraw/zinc/29/56/90/1079295690.db2.gz GMSSFTJVEVJHQN-OAQYLSRUSA-N 1 0 422.614 2.889 20 0 HFADRO Ic1cccc(C[C@@H]2CC[N@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)C2)c1 ZINC001170489534 1079293354 /nfs/dbraw/zinc/29/33/54/1079293354.db2.gz FVUFEZHDENDPFV-UOVPBQLFSA-N 1 0 413.299 2.960 20 0 HFADRO CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@H]2COC(=O)NC2CCCCC2)C1=O ZINC000805827181 1079297582 /nfs/dbraw/zinc/29/75/82/1079297582.db2.gz OMNLYLWFQBVEST-KRWDZBQOSA-N 1 0 408.543 2.620 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000805831159 1079301078 /nfs/dbraw/zinc/30/10/78/1079301078.db2.gz SYCWLIBYTOZRPO-SFHVURJKSA-N 1 0 402.539 2.771 20 0 HFADRO COC(=O)[C@]1(NC(=O)c2ccn3c2nc(C)cc3C)CCC[N@H+](Cc2ccccc2)C1 ZINC001130444969 1079345630 /nfs/dbraw/zinc/34/56/30/1079345630.db2.gz VPYJYXPTIUCFMZ-DEOSSOPVSA-N 1 0 420.513 2.889 20 0 HFADRO C[C@H](CCNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[N@H+](C)Cc1ccccc1 ZINC000747282392 1079355156 /nfs/dbraw/zinc/35/51/56/1079355156.db2.gz NVMJDIPWZYXJJQ-QGZVFWFLSA-N 1 0 417.531 2.832 20 0 HFADRO Cc1ccc(S(C)(=O)=O)cc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170495675 1079387588 /nfs/dbraw/zinc/38/75/88/1079387588.db2.gz BHOARSQITKXFRA-WWDZGPRUSA-N 1 0 415.559 2.770 20 0 HFADRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2c3ccccc3OCCN2C(=O)OC(C)(C)C)C1 ZINC001130474999 1079387884 /nfs/dbraw/zinc/38/78/84/1079387884.db2.gz FSYXAFLIHSDAQC-JTDSTZFVSA-N 1 0 403.523 2.814 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000747291553 1079391022 /nfs/dbraw/zinc/39/10/22/1079391022.db2.gz RKLJZIFOJLWVNW-FMIVXFBMSA-N 1 0 406.548 2.948 20 0 HFADRO CN(C)S(=O)(=O)c1ccccc1COC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000806001801 1079397416 /nfs/dbraw/zinc/39/74/16/1079397416.db2.gz YKVUGBFEBQLWFL-UHFFFAOYSA-N 1 0 402.516 2.890 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(S(C)(=O)=O)cc3F)cc2)CC1 ZINC001170496650 1079402233 /nfs/dbraw/zinc/40/22/33/1079402233.db2.gz YBVOHMXOQAPBAY-QQFBHYJXSA-N 1 0 419.522 2.601 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NCC(F)(F)Br)c1-c1ccccc1 ZINC000805248718 1079413279 /nfs/dbraw/zinc/41/32/79/1079413279.db2.gz KYHIKJWRKYCJJN-UHFFFAOYSA-N 1 0 401.255 2.829 20 0 HFADRO Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)ccc2c[nH+]cn21 ZINC001130489746 1079413322 /nfs/dbraw/zinc/41/33/22/1079413322.db2.gz MPNLWJHZPBYCQX-UHFFFAOYSA-N 1 0 417.391 2.850 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000806041273 1079411175 /nfs/dbraw/zinc/41/11/75/1079411175.db2.gz GEGLVROXSXMNFE-XIRDDKMYSA-N 1 0 423.989 2.763 20 0 HFADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806134643 1079435108 /nfs/dbraw/zinc/43/51/08/1079435108.db2.gz MHGSJUYDOPVWQW-CRAIPNDOSA-N 1 0 421.950 2.969 20 0 HFADRO CCc1ncc(Cl)c(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001130527163 1079436057 /nfs/dbraw/zinc/43/60/57/1079436057.db2.gz ANVHXZJXDWRZDT-QZTJIDSGSA-N 1 0 400.910 2.808 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc4c(c3)CCN(C)C4=O)cc2)CC1 ZINC001170498892 1079445508 /nfs/dbraw/zinc/44/55/08/1079445508.db2.gz ANRPJINXJZXANS-WWDZGPRUSA-N 1 0 406.530 2.686 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1C ZINC001130517933 1079448772 /nfs/dbraw/zinc/44/87/72/1079448772.db2.gz AUQODSWQAHEVCW-RTBURBONSA-N 1 0 407.580 2.772 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1C ZINC001130517932 1079448798 /nfs/dbraw/zinc/44/87/98/1079448798.db2.gz AUQODSWQAHEVCW-RBUKOAKNSA-N 1 0 407.580 2.772 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)COc3ccc(F)cc3F)cc2)CC1 ZINC001130542078 1079462510 /nfs/dbraw/zinc/46/25/10/1079462510.db2.gz NVFHWUXRVSPJPR-UHFFFAOYSA-N 1 0 419.472 2.999 20 0 HFADRO Cn1cc(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)c(C(C)(C)C)n1 ZINC001130542552 1079463390 /nfs/dbraw/zinc/46/33/90/1079463390.db2.gz ZHYQGTVUNNNYGN-UHFFFAOYSA-N 1 0 413.566 2.986 20 0 HFADRO CCOc1ccc(OCC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130529258 1079465296 /nfs/dbraw/zinc/46/52/96/1079465296.db2.gz UEJASVJNUPPUGT-PKTZIBPZSA-N 1 0 410.514 2.966 20 0 HFADRO CC(C)n1cc([C@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000806158345 1079471653 /nfs/dbraw/zinc/47/16/53/1079471653.db2.gz XYDDOUMKQZAFBM-MBSDFSHPSA-N 1 0 411.550 2.670 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc(NC(C)=O)c(C)c2)CC1 ZINC000806185316 1079478237 /nfs/dbraw/zinc/47/82/37/1079478237.db2.gz MQQHREBTQOYCKP-UHFFFAOYSA-N 1 0 406.527 2.545 20 0 HFADRO CN1CCN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)[C@@H](Cc2ccccc2)C1 ZINC001130554641 1079496269 /nfs/dbraw/zinc/49/62/69/1079496269.db2.gz WXRAINGNMPHJBH-IBGZPJMESA-N 1 0 411.456 2.880 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000806248953 1079501433 /nfs/dbraw/zinc/50/14/33/1079501433.db2.gz PNLMSEGUJIYYLH-RHSMWYFYSA-N 1 0 402.520 2.973 20 0 HFADRO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000787332490 1076745324 /nfs/dbraw/zinc/74/53/24/1076745324.db2.gz LNDJXQIMLBDQKC-YQVWRLOYSA-N 1 0 424.586 2.527 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000787315818 1076759709 /nfs/dbraw/zinc/75/97/09/1076759709.db2.gz XGWUEIOXOZZUCC-QRGRWYIGSA-N 1 0 401.551 2.712 20 0 HFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787418049 1076799097 /nfs/dbraw/zinc/79/90/97/1076799097.db2.gz MYLVLRQGLFZWNB-ZACQAIPSSA-N 1 0 417.554 2.833 20 0 HFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCC(c2ccccc2)CC1 ZINC000787428936 1076802014 /nfs/dbraw/zinc/80/20/14/1076802014.db2.gz ABKHCJQAAJOYMF-UHFFFAOYSA-N 1 0 406.530 2.568 20 0 HFADRO Cc1nc(Cl)nc(Cl)c1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170072624 1076803154 /nfs/dbraw/zinc/80/31/54/1076803154.db2.gz CRSYNYGDRRPLGE-UHFFFAOYSA-N 1 0 412.302 2.794 20 0 HFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC[N@@H+]1C ZINC000787388317 1076805188 /nfs/dbraw/zinc/80/51/88/1076805188.db2.gz UKUHXUIFBXKFML-BZUAXINKSA-N 1 0 405.543 2.689 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787407400 1076810084 /nfs/dbraw/zinc/81/00/84/1076810084.db2.gz ANWGMLIWUWEAAO-BZUAXINKSA-N 1 0 405.543 2.737 20 0 HFADRO O=C(OCc1ccccc1)[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1ccccc1 ZINC000787436292 1076810944 /nfs/dbraw/zinc/81/09/44/1076810944.db2.gz VIBSKXXWSAWFGJ-VIHQBZHPSA-N 1 0 421.497 2.624 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787448200 1076814905 /nfs/dbraw/zinc/81/49/05/1076814905.db2.gz BQFOBAQHKRBWEL-TXPKVOOTSA-N 1 0 417.554 2.690 20 0 HFADRO CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000787505016 1076828576 /nfs/dbraw/zinc/82/85/76/1076828576.db2.gz HRKYHABRSXMWMI-UHFFFAOYSA-N 1 0 402.539 2.980 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000787508007 1076829763 /nfs/dbraw/zinc/82/97/63/1076829763.db2.gz QKFVBQFYOXTLGD-UHFFFAOYSA-N 1 0 414.531 2.548 20 0 HFADRO CCOCc1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000787513470 1076831778 /nfs/dbraw/zinc/83/17/78/1076831778.db2.gz KDOVZJULALOPQG-VWLOTQADSA-N 1 0 423.557 2.868 20 0 HFADRO CCOCc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000787513468 1076831841 /nfs/dbraw/zinc/83/18/41/1076831841.db2.gz KDOVZJULALOPQG-RUZDIDTESA-N 1 0 423.557 2.868 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]2C1(C)C ZINC000787532641 1076851002 /nfs/dbraw/zinc/85/10/02/1076851002.db2.gz KTJUUVZIIBOSSV-GSHUGGBRSA-N 1 0 411.587 2.885 20 0 HFADRO COC(=O)c1cccc(NC(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000787590263 1076861569 /nfs/dbraw/zinc/86/15/69/1076861569.db2.gz XWNLRJQSLLTUHG-UHFFFAOYSA-N 1 0 411.458 2.650 20 0 HFADRO CC(=O)N[C@@H](CC(=O)OCCCN1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000787590814 1076861958 /nfs/dbraw/zinc/86/19/58/1076861958.db2.gz IVVDDIZSDOSDMH-FQEVSTJZSA-N 1 0 409.958 2.867 20 0 HFADRO [NH3+]CCN(c1ccc(-c2cccnc2)nc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170075272 1076870614 /nfs/dbraw/zinc/87/06/14/1076870614.db2.gz XKIBREIHIRRLLH-UHFFFAOYSA-N 1 0 405.483 2.846 20 0 HFADRO Cc1cscc1CNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000787586751 1076874736 /nfs/dbraw/zinc/87/47/36/1076874736.db2.gz FMTUVIFDIGIHHM-UHFFFAOYSA-N 1 0 418.538 2.981 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCCc1ccc(Cl)nc1)c1ccsc1 ZINC000787616140 1076879516 /nfs/dbraw/zinc/87/95/16/1076879516.db2.gz LIMYNDWPOYYYES-INIZCTEOSA-N 1 0 408.955 2.655 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)CCC2 ZINC000787615528 1076879886 /nfs/dbraw/zinc/87/98/86/1076879886.db2.gz IMTVBRQQSBZHCE-ZWKOTPCHSA-N 1 0 406.596 2.818 20 0 HFADRO CC[C@H](CNC(=O)C(=O)NCc1ccccc1N(C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000787634003 1076885454 /nfs/dbraw/zinc/88/54/54/1076885454.db2.gz XWNZLANYKSKQDT-JOCHJYFZSA-N 1 0 422.573 2.712 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1)N(C)c1ccccc1 ZINC000787640917 1076892898 /nfs/dbraw/zinc/89/28/98/1076892898.db2.gz RUASZOCUPZRIKY-IBGZPJMESA-N 1 0 414.594 2.788 20 0 HFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787659725 1076902394 /nfs/dbraw/zinc/90/23/94/1076902394.db2.gz XPDRZTPSQUOISM-SFHVURJKSA-N 1 0 407.873 2.637 20 0 HFADRO COC(=O)CCCCC(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000787668071 1076904613 /nfs/dbraw/zinc/90/46/13/1076904613.db2.gz FCNSWQXBONUNTA-UHFFFAOYSA-N 1 0 412.328 2.873 20 0 HFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672466 1076906307 /nfs/dbraw/zinc/90/63/07/1076906307.db2.gz SMFIAOOYACXHSG-WBVHZDCISA-N 1 0 411.468 2.869 20 0 HFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000787689650 1076913431 /nfs/dbraw/zinc/91/34/31/1076913431.db2.gz MHZVNPJJWQLVOZ-CDNPAEQRSA-N 1 0 408.546 2.885 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1)C1CCCCC1 ZINC000787692874 1076914719 /nfs/dbraw/zinc/91/47/19/1076914719.db2.gz YRWNBWYJCSFFLT-QFIPXVFZSA-N 1 0 415.578 2.729 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1)C1CCCCC1 ZINC000787692872 1076914775 /nfs/dbraw/zinc/91/47/75/1076914775.db2.gz YRWNBWYJCSFFLT-JOCHJYFZSA-N 1 0 415.578 2.729 20 0 HFADRO O=C(CCN1CC(O)(c2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000787692621 1076914784 /nfs/dbraw/zinc/91/47/84/1076914784.db2.gz FUAGZGFRVSHGCJ-UHFFFAOYSA-N 1 0 417.912 2.721 20 0 HFADRO Cc1cccc(C(=O)N2CCC[N@H+](CCOCCNC(=O)OC(C)(C)C)CC2)c1 ZINC000787706279 1076919547 /nfs/dbraw/zinc/91/95/47/1076919547.db2.gz OAZJBTAJHWRYQZ-UHFFFAOYSA-N 1 0 405.539 2.684 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752229 1076927027 /nfs/dbraw/zinc/92/70/27/1076927027.db2.gz UJGXDZBONMKZSJ-SFHVURJKSA-N 1 0 400.910 2.647 20 0 HFADRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCOCCNC(=O)OC(C)(C)C)C2)nc1 ZINC000787728864 1076933210 /nfs/dbraw/zinc/93/32/10/1076933210.db2.gz DITSZYDDJZDDJB-KRWDZBQOSA-N 1 0 406.527 2.582 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000787731451 1076933546 /nfs/dbraw/zinc/93/35/46/1076933546.db2.gz SEYJXWPQZYGCMM-UHFFFAOYSA-N 1 0 412.575 2.624 20 0 HFADRO CN(C(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCCCCCC1 ZINC000787742205 1076937995 /nfs/dbraw/zinc/93/79/95/1076937995.db2.gz ZURGZUBZZMYXLX-QFIPXVFZSA-N 1 0 414.594 2.663 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@]2(O)CCCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000787767027 1076941077 /nfs/dbraw/zinc/94/10/77/1076941077.db2.gz YLSBNCYFIVHYPA-SELNLUPBSA-N 1 0 418.534 2.741 20 0 HFADRO CN1CCN(C(=O)CC2CC[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000787772107 1076942125 /nfs/dbraw/zinc/94/21/25/1076942125.db2.gz XTJLDNSPRQWTIZ-HSZRJFAPSA-N 1 0 422.614 2.510 20 0 HFADRO COC(=O)[C@H]1[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)C1(F)F ZINC000787776160 1076943115 /nfs/dbraw/zinc/94/31/15/1076943115.db2.gz NEPODUAZBYTFDH-SMDDNHRTSA-N 1 0 405.239 2.730 20 0 HFADRO Cc1cc(N2CC[C@@H](OC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC000772707932 1076963504 /nfs/dbraw/zinc/96/35/04/1076963504.db2.gz AIQNELDHSYEZCL-LJQANCHMSA-N 1 0 410.518 2.679 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCCc2c(F)cccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000787917702 1076995056 /nfs/dbraw/zinc/99/50/56/1076995056.db2.gz OUMZGQWEABXBIM-HSZRJFAPSA-N 1 0 415.484 2.652 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000787950042 1077006460 /nfs/dbraw/zinc/00/64/60/1077006460.db2.gz DTBKCYPUDHLPKG-UZKOGDIHSA-N 1 0 409.530 2.840 20 0 HFADRO CN(C(=O)Nc1cc(-n2cnnn2)ccc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746723489 1077010898 /nfs/dbraw/zinc/01/08/98/1077010898.db2.gz UUJYDXZJGZLHIO-SFHVURJKSA-N 1 0 409.469 2.930 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccc(CN3CCOC3=O)c2)C1 ZINC000746718153 1077012858 /nfs/dbraw/zinc/01/28/58/1077012858.db2.gz NXCIEDKXUZPKHQ-IBGZPJMESA-N 1 0 404.511 2.603 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1 ZINC000746719983 1077017484 /nfs/dbraw/zinc/01/74/84/1077017484.db2.gz HVSGDZQOMDCRDN-LJQANCHMSA-N 1 0 404.511 2.603 20 0 HFADRO COC(=O)NCCc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCCC2)s1 ZINC000788030629 1077034765 /nfs/dbraw/zinc/03/47/65/1077034765.db2.gz PXDNRULOOJUNAI-UHFFFAOYSA-N 1 0 417.597 2.580 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC/C=C/CNC(=O)OC(C)(C)C ZINC000788035414 1077035716 /nfs/dbraw/zinc/03/57/16/1077035716.db2.gz SRGFNDFKPDXOLG-DLBUCANVSA-N 1 0 402.539 2.887 20 0 HFADRO CN(CN1C(=O)C(=O)c2c1ccc(Br)c2Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000788045081 1077039646 /nfs/dbraw/zinc/03/96/46/1077039646.db2.gz AVWLMMXSOGGMAE-LLVKDONJSA-N 1 0 412.715 2.758 20 0 HFADRO CC[N@H+](C)C[C@H]1CCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)C1 ZINC000788046305 1077040357 /nfs/dbraw/zinc/04/03/57/1077040357.db2.gz LIOSMWLIIZLENL-LLVKDONJSA-N 1 0 414.731 2.863 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)C1 ZINC000746726756 1077052976 /nfs/dbraw/zinc/05/29/76/1077052976.db2.gz VFWZNOYEDXXJMP-RXVVDRJESA-N 1 0 404.555 2.876 20 0 HFADRO CC(=O)CC(C)(C)CC(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000788147191 1077064944 /nfs/dbraw/zinc/06/49/44/1077064944.db2.gz DDEXMXLTUKQHCP-UHFFFAOYSA-N 1 0 402.535 2.968 20 0 HFADRO COc1cccc([C@@H](CNC(=O)c2cnc(Br)c(OC)c2)[NH+](C)C)c1 ZINC000788151009 1077069241 /nfs/dbraw/zinc/06/92/41/1077069241.db2.gz CBOGAEYCTBECQF-OAHLLOKOSA-N 1 0 408.296 2.894 20 0 HFADRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1N1CCOC1=O ZINC000746732535 1077070844 /nfs/dbraw/zinc/07/08/44/1077070844.db2.gz KJEXHWUWCBPPPI-MRXNPFEDSA-N 1 0 402.495 2.574 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788258862 1077088196 /nfs/dbraw/zinc/08/81/96/1077088196.db2.gz YFJPQJVNOBFXPS-ZWKOTPCHSA-N 1 0 417.616 2.864 20 0 HFADRO C[C@H](NC(=O)c1cc(Br)n[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000788295933 1077090410 /nfs/dbraw/zinc/09/04/10/1077090410.db2.gz JVBHPIWQJGQMON-NSHDSACASA-N 1 0 410.291 2.554 20 0 HFADRO CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001170083742 1077090455 /nfs/dbraw/zinc/09/04/55/1077090455.db2.gz YZAXHCMTXPOVIM-NRDMVMEKSA-N 1 0 407.580 2.654 20 0 HFADRO CC(C)[C@@H](CNC(=O)c1nc(Br)sc1C1CC1)N1CC[NH+](C)CC1 ZINC000788303965 1077092368 /nfs/dbraw/zinc/09/23/68/1077092368.db2.gz BZLUSFHGLGKLBQ-CYBMUJFWSA-N 1 0 415.401 2.785 20 0 HFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788305244 1077092993 /nfs/dbraw/zinc/09/29/93/1077092993.db2.gz ONZXRRPLLKEDAP-DZFGPLHGSA-N 1 0 424.545 2.672 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000788337545 1077107322 /nfs/dbraw/zinc/10/73/22/1077107322.db2.gz CCKBBKNIZFIAMA-KDURUIRLSA-N 1 0 418.582 2.819 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cccc4ccn(C)c43)cc2)CC1 ZINC000788338450 1077108268 /nfs/dbraw/zinc/10/82/68/1077108268.db2.gz VPYMDKDYQFZLIR-UHFFFAOYSA-N 1 0 405.502 2.897 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000788341068 1077109378 /nfs/dbraw/zinc/10/93/78/1077109378.db2.gz NNLIZRXECOINPL-NDEPHWFRSA-N 1 0 419.469 2.587 20 0 HFADRO COc1cccc([C@H](O)C[NH2+][C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000788430822 1077144203 /nfs/dbraw/zinc/14/42/03/1077144203.db2.gz QOOWSIXCCQIXRH-VAMGGRTRSA-N 1 0 406.523 2.733 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+]CCc2nnc3n2CCCCC3)C2CC2)C1 ZINC000788430247 1077144484 /nfs/dbraw/zinc/14/44/84/1077144484.db2.gz NXBAYKHINSQTJF-PXNSSMCTSA-N 1 0 419.570 2.551 20 0 HFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000788436491 1077146208 /nfs/dbraw/zinc/14/62/08/1077146208.db2.gz MFBIMYNCTMNGOQ-GVDBMIGSSA-N 1 0 409.527 2.616 20 0 HFADRO COc1cc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cnc1Br ZINC000788453539 1077164782 /nfs/dbraw/zinc/16/47/82/1077164782.db2.gz NXNFOGJUYKNMTD-ZDUSSCGKSA-N 1 0 406.280 2.822 20 0 HFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000788458909 1077166121 /nfs/dbraw/zinc/16/61/21/1077166121.db2.gz GICGKQJKUJDBAD-RBUKOAKNSA-N 1 0 415.559 2.541 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 ZINC000788505923 1077185551 /nfs/dbraw/zinc/18/55/51/1077185551.db2.gz USQVXASEDGQYKE-HXUWFJFHSA-N 1 0 401.551 2.877 20 0 HFADRO COc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cnc1Br ZINC000788516092 1077188430 /nfs/dbraw/zinc/18/84/30/1077188430.db2.gz AHGWZCZTVGRYIY-OAHLLOKOSA-N 1 0 412.328 2.570 20 0 HFADRO CC(C)(C)OC(=O)NC1(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000746748152 1077188463 /nfs/dbraw/zinc/18/84/63/1077188463.db2.gz FAUYBXBBLFVFDB-UHFFFAOYSA-N 1 0 423.554 2.500 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000788482679 1077191613 /nfs/dbraw/zinc/19/16/13/1077191613.db2.gz QHUOFFGEPDPILP-HXUWFJFHSA-N 1 0 411.587 2.589 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000788537592 1077193111 /nfs/dbraw/zinc/19/31/11/1077193111.db2.gz VIIGNUKRHVYIAC-UHFFFAOYSA-N 1 0 407.559 2.897 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCCSC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000788542615 1077195204 /nfs/dbraw/zinc/19/52/04/1077195204.db2.gz OBCMMCSNQBPCHF-QGZVFWFLSA-N 1 0 403.470 2.527 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000788564820 1077202034 /nfs/dbraw/zinc/20/20/34/1077202034.db2.gz TZGBTHISCCKFHN-RYRKJORJSA-N 1 0 422.522 2.780 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000788568772 1077208727 /nfs/dbraw/zinc/20/87/27/1077208727.db2.gz DDGQYENXRPTTGK-SJLPKXTDSA-N 1 0 411.568 2.590 20 0 HFADRO COc1cccc([C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c2nccn2C)c1 ZINC000788593262 1077215868 /nfs/dbraw/zinc/21/58/68/1077215868.db2.gz WHLZXURKDWSLPI-FQEVSTJZSA-N 1 0 414.531 2.558 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000788595073 1077216748 /nfs/dbraw/zinc/21/67/48/1077216748.db2.gz RFRLPMKDSZYGFY-HIFRSBDPSA-N 1 0 414.344 2.988 20 0 HFADRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788611886 1077216753 /nfs/dbraw/zinc/21/67/53/1077216753.db2.gz LREJFVLYQYJNQG-IBGZPJMESA-N 1 0 412.534 2.814 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788649381 1077224686 /nfs/dbraw/zinc/22/46/86/1077224686.db2.gz BDYSRZJWIHNMJL-SEONNTABSA-N 1 0 424.545 2.815 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000788611545 1077227126 /nfs/dbraw/zinc/22/71/26/1077227126.db2.gz XCJJNLOICKOOEG-KRWDZBQOSA-N 1 0 411.568 2.768 20 0 HFADRO O=C([C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)Cc1cccc(F)c1)N1CCOCC1 ZINC000788615761 1077229310 /nfs/dbraw/zinc/22/93/10/1077229310.db2.gz YVGIGRLILHZNEY-MTFMMBMASA-N 1 0 424.607 2.812 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)=NO1 ZINC000788620411 1077230897 /nfs/dbraw/zinc/23/08/97/1077230897.db2.gz DXWQMDLAMWEFQT-RDJZCZTQSA-N 1 0 420.510 2.592 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)=NO1 ZINC000788621896 1077232116 /nfs/dbraw/zinc/23/21/16/1077232116.db2.gz YFLLLUXDNQTIMW-ZBFHGGJFSA-N 1 0 422.551 2.671 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000790924803 1077234400 /nfs/dbraw/zinc/23/44/00/1077234400.db2.gz BOVQEAUPMWUALK-HXUWFJFHSA-N 1 0 419.472 2.971 20 0 HFADRO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000788627059 1077234720 /nfs/dbraw/zinc/23/47/20/1077234720.db2.gz LBWJEBYUCNXTOB-ZJIFWQFVSA-N 1 0 404.573 2.692 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000790928857 1077237067 /nfs/dbraw/zinc/23/70/67/1077237067.db2.gz YKKDYZSVPRWAEJ-HXUWFJFHSA-N 1 0 400.567 2.551 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1Cl ZINC000788634989 1077239603 /nfs/dbraw/zinc/23/96/03/1077239603.db2.gz TUYGRZSIJSLYAS-GFCCVEGCSA-N 1 0 406.957 2.603 20 0 HFADRO COC(=O)C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000788638375 1077241759 /nfs/dbraw/zinc/24/17/59/1077241759.db2.gz KQWAWIPOLPORNH-SFHVURJKSA-N 1 0 410.923 2.984 20 0 HFADRO C[NH+](C)C1(CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CCCC1 ZINC000788640930 1077243575 /nfs/dbraw/zinc/24/35/75/1077243575.db2.gz IBCRPPGQTMJUOC-OALUTQOASA-N 1 0 410.518 2.569 20 0 HFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000788642518 1077244786 /nfs/dbraw/zinc/24/47/86/1077244786.db2.gz PSLPTCSRBCZVBN-SFHVURJKSA-N 1 0 418.538 2.813 20 0 HFADRO O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788643190 1077244798 /nfs/dbraw/zinc/24/47/98/1077244798.db2.gz OETKIJNLYGOANF-AEFFLSMTSA-N 1 0 421.950 2.969 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788643432 1077245029 /nfs/dbraw/zinc/24/50/29/1077245029.db2.gz LVEAJYDIDSSAEE-BRWVUGGUSA-N 1 0 410.559 2.530 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2nnc(CC)[nH]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788691165 1077252158 /nfs/dbraw/zinc/25/21/58/1077252158.db2.gz XWFSVIAMMAVFDV-LSDHHAIUSA-N 1 0 423.558 2.987 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000788657523 1077255953 /nfs/dbraw/zinc/25/59/53/1077255953.db2.gz FXIZSGPHUOUTKA-UIFIKXQLSA-N 1 0 422.529 2.523 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000788666377 1077259884 /nfs/dbraw/zinc/25/98/84/1077259884.db2.gz BIANOOIMIRBTQZ-YJBOKZPZSA-N 1 0 415.600 2.568 20 0 HFADRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000788669599 1077262128 /nfs/dbraw/zinc/26/21/28/1077262128.db2.gz DXGBGPFXWHEBDU-QWHCGFSZSA-N 1 0 402.333 2.750 20 0 HFADRO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3ccc(OCC(N)=O)cc3)c2)n1 ZINC000790996671 1077264063 /nfs/dbraw/zinc/26/40/63/1077264063.db2.gz ZOZLEMUDJDJKQB-UHFFFAOYSA-N 1 0 411.483 2.751 20 0 HFADRO C[C@@H](CNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000746757968 1077265945 /nfs/dbraw/zinc/26/59/45/1077265945.db2.gz SIFJFWDCEYFQIP-IBGZPJMESA-N 1 0 400.567 2.641 20 0 HFADRO CC(C)C[C@H](N[C@@H](C)c1nc(Br)ccc1F)C(=O)NCC[NH+](C)C ZINC000788713114 1077268506 /nfs/dbraw/zinc/26/85/06/1077268506.db2.gz SUWXPUCXFJSDBP-JSGCOSHPSA-N 1 0 403.340 2.726 20 0 HFADRO CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1F ZINC000791044161 1077281625 /nfs/dbraw/zinc/28/16/25/1077281625.db2.gz KDIWYUKOCKGAQQ-QGZVFWFLSA-N 1 0 421.494 2.714 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000788735471 1077285159 /nfs/dbraw/zinc/28/51/59/1077285159.db2.gz BKYLBRVWWANKPD-AEFFLSMTSA-N 1 0 417.616 2.673 20 0 HFADRO COc1ccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)nc1I ZINC000791063652 1077286902 /nfs/dbraw/zinc/28/69/02/1077286902.db2.gz XEEWNXVIRHRYQY-ZDUSSCGKSA-N 1 0 417.291 2.545 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788745988 1077288329 /nfs/dbraw/zinc/28/83/29/1077288329.db2.gz BOWPXJSMRXABCD-QUCCMNQESA-N 1 0 400.567 2.939 20 0 HFADRO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788807323 1077293864 /nfs/dbraw/zinc/29/38/64/1077293864.db2.gz UBIZQJZEKSGSLW-NHYWBVRUSA-N 1 0 412.328 2.821 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]C3CCN(S(=O)(=O)C(C)(C)C)CC3)C2)C1 ZINC000788785497 1077302058 /nfs/dbraw/zinc/30/20/58/1077302058.db2.gz UDXCBXYWEYLYIM-UHFFFAOYSA-N 1 0 415.600 2.568 20 0 HFADRO COC(=O)c1cc(OC)nc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)c1 ZINC001170149464 1077313858 /nfs/dbraw/zinc/31/38/58/1077313858.db2.gz STIDPZOQPBHPPO-UHFFFAOYSA-N 1 0 420.473 2.786 20 0 HFADRO CC[NH+]1CCN(Cc2ccc(NS(=O)(=O)C3=Cc4ccccc4OC3)cc2)CC1 ZINC000788840225 1077316687 /nfs/dbraw/zinc/31/66/87/1077316687.db2.gz CCEGBJIDSFMMGA-UHFFFAOYSA-N 1 0 413.543 2.999 20 0 HFADRO COC(=O)c1cn(C2CC[NH+](C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)nn1 ZINC000788850980 1077319838 /nfs/dbraw/zinc/31/98/38/1077319838.db2.gz AABDCXPKUUMPQY-OAHLLOKOSA-N 1 0 409.531 2.641 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nc(Br)sc2C2CC2)C1 ZINC000791198865 1077320964 /nfs/dbraw/zinc/32/09/64/1077320964.db2.gz FHDWSOHRJSIRMB-LBPRGKRZSA-N 1 0 402.358 2.870 20 0 HFADRO COC(OC)c1nccnc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170150641 1077344505 /nfs/dbraw/zinc/34/45/05/1077344505.db2.gz LETCFDYTGYPHFQ-UHFFFAOYSA-N 1 0 407.478 2.678 20 0 HFADRO COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000788915917 1077353855 /nfs/dbraw/zinc/35/38/55/1077353855.db2.gz MRNOGROOXLBWRO-LIRRHRJNSA-N 1 0 408.495 2.890 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)C3CN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000791294742 1077359182 /nfs/dbraw/zinc/35/91/82/1077359182.db2.gz PYNKJQUOKFUAAF-UHFFFAOYSA-N 1 0 403.523 2.643 20 0 HFADRO O=C(Cc1cccnc1Br)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000791322908 1077373538 /nfs/dbraw/zinc/37/35/38/1077373538.db2.gz AFVFBZFUJLLPMA-UHFFFAOYSA-N 1 0 417.351 2.715 20 0 HFADRO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)c3ccc(S(N)(=O)=O)cc3)C2=O)c(C)c1 ZINC000788981830 1077373654 /nfs/dbraw/zinc/37/36/54/1077373654.db2.gz NBGJYDSGTRAYGN-APWZRJJASA-N 1 0 401.532 2.715 20 0 HFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000788981853 1077374015 /nfs/dbraw/zinc/37/40/15/1077374015.db2.gz PPXSYCGGPUUBMQ-PXNSSMCTSA-N 1 0 415.559 2.976 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H]([NH2+][C@@H](C)c3cccc(S(N)(=O)=O)c3)C2=O)c(C)c1 ZINC000788984719 1077374090 /nfs/dbraw/zinc/37/40/90/1077374090.db2.gz SVMIZVDOIANTNS-QFBILLFUSA-N 1 0 401.532 2.715 20 0 HFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000791329362 1077376090 /nfs/dbraw/zinc/37/60/90/1077376090.db2.gz RUXVTTIKGBPMPG-UHFFFAOYSA-N 1 0 410.005 2.797 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)c1 ZINC000791338648 1077378739 /nfs/dbraw/zinc/37/87/39/1077378739.db2.gz FJXDYZKAKAYAQZ-UHFFFAOYSA-N 1 0 424.476 2.584 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000791338656 1077378758 /nfs/dbraw/zinc/37/87/58/1077378758.db2.gz FQWOQFYMQWZZJY-UHFFFAOYSA-N 1 0 405.539 2.842 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000789019695 1077386497 /nfs/dbraw/zinc/38/64/97/1077386497.db2.gz ASPJBNVDHBWRGL-NRFANRHFSA-N 1 0 415.582 2.752 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000791347142 1077389684 /nfs/dbraw/zinc/38/96/84/1077389684.db2.gz JILARKPAEAILSP-HXUWFJFHSA-N 1 0 403.523 2.831 20 0 HFADRO O=C(Nc1ccnn1C1CCCC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000746783319 1077392936 /nfs/dbraw/zinc/39/29/36/1077392936.db2.gz VNAVOARSXMADPT-UHFFFAOYSA-N 1 0 409.534 2.760 20 0 HFADRO C[C@H](OC(=O)c1c[nH]nc1-c1ccoc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789076274 1077398088 /nfs/dbraw/zinc/39/80/88/1077398088.db2.gz BJDFSQXNSQLVIC-YJBOKZPZSA-N 1 0 408.458 2.606 20 0 HFADRO COc1c(Br)cc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)C1CC1 ZINC000791412095 1077402391 /nfs/dbraw/zinc/40/23/91/1077402391.db2.gz UQMXYMDZMAQNDP-UHFFFAOYSA-N 1 0 411.749 2.826 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000791444796 1077409782 /nfs/dbraw/zinc/40/97/82/1077409782.db2.gz ZWZKIINJXRZRKS-NRFANRHFSA-N 1 0 401.551 2.641 20 0 HFADRO CC(C)c1cc(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)nn1C ZINC000747014698 1077416210 /nfs/dbraw/zinc/41/62/10/1077416210.db2.gz YFRYFEWBLVRFKP-UHFFFAOYSA-N 1 0 416.547 2.888 20 0 HFADRO CC(C)[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H](O)c1ccccc1 ZINC000789112912 1077418931 /nfs/dbraw/zinc/41/89/31/1077418931.db2.gz HHOVPCJXNSEGLN-CLAROIROSA-N 1 0 403.567 2.812 20 0 HFADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000746788690 1077423799 /nfs/dbraw/zinc/42/37/99/1077423799.db2.gz UZPJAZZBRIQFBB-UHFFFAOYSA-N 1 0 404.530 2.945 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3nc(Cl)cs3)cc2)CC1 ZINC000789219050 1077448394 /nfs/dbraw/zinc/44/83/94/1077448394.db2.gz NHKOPWKLXJYZAY-UHFFFAOYSA-N 1 0 408.911 2.734 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000791509168 1077448817 /nfs/dbraw/zinc/44/88/17/1077448817.db2.gz RVBPOZZXDZGGSS-HSZRJFAPSA-N 1 0 423.513 2.761 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)[NH+](C)C)cc1 ZINC000746792582 1077456232 /nfs/dbraw/zinc/45/62/32/1077456232.db2.gz GPBNYURYXOXRND-HXUWFJFHSA-N 1 0 424.501 2.618 20 0 HFADRO CCC1=C(C(=O)OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CCCO1 ZINC000791538998 1077458203 /nfs/dbraw/zinc/45/82/03/1077458203.db2.gz VEGRPLGKXKBDFP-UHFFFAOYSA-N 1 0 401.507 2.785 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000789246552 1077470994 /nfs/dbraw/zinc/47/09/94/1077470994.db2.gz UGIRJYPQYAYNQV-ZWKOTPCHSA-N 1 0 418.538 2.847 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000789246550 1077471022 /nfs/dbraw/zinc/47/10/22/1077471022.db2.gz UGIRJYPQYAYNQV-ROUUACIJSA-N 1 0 418.538 2.847 20 0 HFADRO COC(=O)Nc1ccc(CNC(=O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000791621888 1077490417 /nfs/dbraw/zinc/49/04/17/1077490417.db2.gz MYOCWJSGWBHGII-OYRHEFFESA-N 1 0 422.529 2.545 20 0 HFADRO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)sn1 ZINC001086600443 1077506932 /nfs/dbraw/zinc/50/69/32/1077506932.db2.gz UBYRPANESBPZCT-CSGHFTSRSA-N 1 0 409.555 2.959 20 0 HFADRO O=C(CC[NH+]1CCC(F)(c2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000789310604 1077509478 /nfs/dbraw/zinc/50/94/78/1077509478.db2.gz PMJRBPJKOMDFOO-UHFFFAOYSA-N 1 0 416.497 2.623 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000791711052 1077522702 /nfs/dbraw/zinc/52/27/02/1077522702.db2.gz OZAWCHXILJJIST-MRXNPFEDSA-N 1 0 405.543 2.863 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000791691141 1077530005 /nfs/dbraw/zinc/53/00/05/1077530005.db2.gz UWEAMZCOOZSKJV-QFIPXVFZSA-N 1 0 424.501 2.625 20 0 HFADRO Cc1cc(C)cc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(N(C)C)cc2)c1 ZINC000789393875 1077535820 /nfs/dbraw/zinc/53/58/20/1077535820.db2.gz OOJBTKFSLKKAAI-UHFFFAOYSA-O 1 0 409.539 2.589 20 0 HFADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000791718022 1077537950 /nfs/dbraw/zinc/53/79/50/1077537950.db2.gz KLJJRJMJIYQJJJ-OBBLNQHZSA-N 1 0 408.481 2.926 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C)C(C)C ZINC000746804549 1077546827 /nfs/dbraw/zinc/54/68/27/1077546827.db2.gz VVUNJIPIAMZRCS-UHFFFAOYSA-N 1 0 404.555 2.779 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000791755052 1077553681 /nfs/dbraw/zinc/55/36/81/1077553681.db2.gz QWBUFVQMZYPHHC-QGZVFWFLSA-N 1 0 407.942 2.652 20 0 HFADRO COc1ccc(C)cc1-n1ccc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)n1 ZINC000791796567 1077560218 /nfs/dbraw/zinc/56/02/18/1077560218.db2.gz UBMYOLRIVFUENK-UHFFFAOYSA-N 1 0 400.523 2.762 20 0 HFADRO Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@H]2CCOc3ccccc32)cc1 ZINC000789403072 1077560560 /nfs/dbraw/zinc/56/05/60/1077560560.db2.gz KVORRMBQAKPKGZ-INIZCTEOSA-O 1 0 408.507 2.736 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000746808362 1077565964 /nfs/dbraw/zinc/56/59/64/1077565964.db2.gz SWYJOKFZWBDKMF-FQEVSTJZSA-N 1 0 424.501 2.926 20 0 HFADRO O=C(CN1C(=O)COc2ccc(Cl)cc21)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791822492 1077567664 /nfs/dbraw/zinc/56/76/64/1077567664.db2.gz IYYDZVFNTATUHU-KRWDZBQOSA-N 1 0 413.905 2.704 20 0 HFADRO CC(C)CC[C@@]1(C2CC2)NC(=O)N(CN2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000789439539 1077573327 /nfs/dbraw/zinc/57/33/27/1077573327.db2.gz DCVRFGYVKHEMHJ-QHCPKHFHSA-N 1 0 420.598 2.515 20 0 HFADRO CC(C)CC[C@]1(C2CC2)NC(=O)N(CN2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000789439538 1077573431 /nfs/dbraw/zinc/57/34/31/1077573431.db2.gz DCVRFGYVKHEMHJ-HSZRJFAPSA-N 1 0 420.598 2.515 20 0 HFADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791938111 1077599466 /nfs/dbraw/zinc/59/94/66/1077599466.db2.gz DQSTTWTYKXMQMW-KEHSYRMBSA-N 1 0 414.513 2.570 20 0 HFADRO COc1cc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)ccc1OCc1ccc(Cl)cc1 ZINC000789559729 1077678657 /nfs/dbraw/zinc/67/86/57/1077678657.db2.gz ARSJEEGIKJSBJR-MRXNPFEDSA-N 1 0 403.866 2.647 20 0 HFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C1 ZINC000789559775 1077678675 /nfs/dbraw/zinc/67/86/75/1077678675.db2.gz CFGVTDQPJAYUHT-GOSISDBHSA-N 1 0 409.877 2.913 20 0 HFADRO CCOC(=O)c1cnn(C2CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC2)c1C ZINC001170162010 1077679802 /nfs/dbraw/zinc/67/98/02/1077679802.db2.gz OFKWZCHKHANWCI-OAHLLOKOSA-N 1 0 413.387 2.954 20 0 HFADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1 ZINC000789560974 1077679912 /nfs/dbraw/zinc/67/99/12/1077679912.db2.gz OLLSHWKCTPWSRN-FQEVSTJZSA-N 1 0 403.486 2.627 20 0 HFADRO C[C@]1(c2ccc(Br)cc2)CC(=O)N(C[N@@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789563769 1077682965 /nfs/dbraw/zinc/68/29/65/1077682965.db2.gz GIKXQPDFTXORJQ-UXHICEINSA-N 1 0 421.335 2.926 20 0 HFADRO C[C@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000792077585 1077683488 /nfs/dbraw/zinc/68/34/88/1077683488.db2.gz WNGPDBWNZDOLFB-IEBWSBKVSA-N 1 0 404.555 2.763 20 0 HFADRO Cc1ccc(CN(C)C(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)nc1 ZINC000789613477 1077684214 /nfs/dbraw/zinc/68/42/14/1077684214.db2.gz IHFOTTXQURUNIE-UHFFFAOYSA-N 1 0 423.561 2.765 20 0 HFADRO CN(CCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC000792076920 1077684388 /nfs/dbraw/zinc/68/43/88/1077684388.db2.gz SRPRLCYRELIALA-KDURUIRLSA-N 1 0 402.539 2.627 20 0 HFADRO O=C(NCc1nc(Cc2ccccc2)no1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792050211 1077694080 /nfs/dbraw/zinc/69/40/80/1077694080.db2.gz UIFVFUMCKGIFPM-HXUWFJFHSA-N 1 0 405.502 2.982 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)nc1 ZINC000792104789 1077698202 /nfs/dbraw/zinc/69/82/02/1077698202.db2.gz UUIPQXJEATWNFL-LJQANCHMSA-N 1 0 418.538 2.684 20 0 HFADRO CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1 ZINC000792106924 1077700076 /nfs/dbraw/zinc/70/00/76/1077700076.db2.gz NBWPUZLWRRXCSV-OAQYLSRUSA-N 1 0 403.523 2.777 20 0 HFADRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)C[C@H](C)O1 ZINC000746835600 1077705189 /nfs/dbraw/zinc/70/51/89/1077705189.db2.gz BSYRZWCEVWNUJP-FGTMMUONSA-N 1 0 409.571 2.924 20 0 HFADRO COCC[NH+]1CCC(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792086077 1077709873 /nfs/dbraw/zinc/70/98/73/1077709873.db2.gz YCELSNPTUMMTKS-LJQANCHMSA-N 1 0 423.529 2.661 20 0 HFADRO COCC[NH+]1CCC(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792086073 1077709914 /nfs/dbraw/zinc/70/99/14/1077709914.db2.gz YCELSNPTUMMTKS-IBGZPJMESA-N 1 0 423.529 2.661 20 0 HFADRO COCCC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000792092825 1077712759 /nfs/dbraw/zinc/71/27/59/1077712759.db2.gz JELPWCBINFBEIS-YADHBBJMSA-N 1 0 403.567 2.967 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](c3ccc(C)cc3)[NH+](C)C)C2)c1 ZINC000792096904 1077713680 /nfs/dbraw/zinc/71/36/80/1077713680.db2.gz LATQJVHWUPQBHE-IFMALSPDSA-N 1 0 411.502 2.924 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)nc1 ZINC000792142596 1077720945 /nfs/dbraw/zinc/72/09/45/1077720945.db2.gz AJOYHVOAZQSGPH-UHFFFAOYSA-N 1 0 418.538 2.732 20 0 HFADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)C1 ZINC000792145480 1077722026 /nfs/dbraw/zinc/72/20/26/1077722026.db2.gz OCCNNBDQWUBCMF-RTBURBONSA-N 1 0 423.529 2.661 20 0 HFADRO CCOC(=O)c1cc2nc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)ccc2[nH]1 ZINC001170163261 1077722906 /nfs/dbraw/zinc/72/29/06/1077722906.db2.gz VQCFURZGJGLBFN-UHFFFAOYSA-N 1 0 408.462 2.608 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000792161435 1077727260 /nfs/dbraw/zinc/72/72/60/1077727260.db2.gz SVBFMKHZHBKHBU-PGRDOPGGSA-N 1 0 409.571 2.593 20 0 HFADRO COCC1(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000789697214 1077732878 /nfs/dbraw/zinc/73/28/78/1077732878.db2.gz RTTYTSZHSWISLR-KRWDZBQOSA-N 1 0 409.502 2.605 20 0 HFADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)Cc2ccco2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792201288 1077744042 /nfs/dbraw/zinc/74/40/42/1077744042.db2.gz ATZVGVBFCFTTLM-SFHVURJKSA-N 1 0 412.534 2.804 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000746850003 1077747430 /nfs/dbraw/zinc/74/74/30/1077747430.db2.gz YKWKTCLVHOGCOC-UXWSSTJHSA-N 1 0 405.564 2.935 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000792227114 1077752588 /nfs/dbraw/zinc/75/25/88/1077752588.db2.gz VKCJBDLQBOSNKI-IRLDBZIGSA-N 1 0 401.551 2.878 20 0 HFADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000792228083 1077753011 /nfs/dbraw/zinc/75/30/11/1077753011.db2.gz RATFGAVSSCUIBM-KSEOMHKRSA-N 1 0 411.550 2.540 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCN(c2ncccc2F)CC1 ZINC000792229803 1077753301 /nfs/dbraw/zinc/75/33/01/1077753301.db2.gz KVGBKBUSGXPVLN-FQEVSTJZSA-N 1 0 411.525 2.965 20 0 HFADRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792242063 1077762203 /nfs/dbraw/zinc/76/22/03/1077762203.db2.gz NPLWSHOFLMHTNA-HNNXBMFYSA-N 1 0 422.323 2.980 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)c1 ZINC000792212897 1077766702 /nfs/dbraw/zinc/76/67/02/1077766702.db2.gz VPTZZEVJHAJIOI-OAQYLSRUSA-N 1 0 401.507 2.720 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCC(C2OCCO2)CC1 ZINC000792281433 1077774219 /nfs/dbraw/zinc/77/42/19/1077774219.db2.gz YEVQKSZNNXKVGM-UHFFFAOYSA-N 1 0 405.461 2.586 20 0 HFADRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000792289986 1077777109 /nfs/dbraw/zinc/77/71/09/1077777109.db2.gz KOOYFAXGRXXCJG-LLVKDONJSA-N 1 0 408.415 2.944 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000746852053 1077785566 /nfs/dbraw/zinc/78/55/66/1077785566.db2.gz ZCHUCYVFDHWDQW-NRFANRHFSA-N 1 0 421.541 2.785 20 0 HFADRO O=C(NC[C@H](O)c1cccc(F)c1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792276975 1077790942 /nfs/dbraw/zinc/79/09/42/1077790942.db2.gz MVYQIGKZCKIRIB-JCYILVPMSA-N 1 0 403.420 2.964 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCc3cc(Cl)ccc3C2)CC1 ZINC000792297498 1077794425 /nfs/dbraw/zinc/79/44/25/1077794425.db2.gz CYAGAOFSBGEEIE-UHFFFAOYSA-N 1 0 412.921 2.615 20 0 HFADRO Cc1cc(NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)n(C2CC[NH+](C)CC2)n1 ZINC000789808434 1077807618 /nfs/dbraw/zinc/80/76/18/1077807618.db2.gz WKWULXAOFXIGAO-INIZCTEOSA-N 1 0 403.527 2.654 20 0 HFADRO CCCOC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792366352 1077817835 /nfs/dbraw/zinc/81/78/35/1077817835.db2.gz IFMYMJGYPYTEPB-LJQANCHMSA-N 1 0 423.513 2.830 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cc2)CC1 ZINC000789809167 1077819859 /nfs/dbraw/zinc/81/98/59/1077819859.db2.gz BXURKCSFDNQWPS-FCHUYYIVSA-N 1 0 424.520 2.967 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CCn1nc3ccccn3c1=O)CC2 ZINC000792331347 1077821769 /nfs/dbraw/zinc/82/17/69/1077821769.db2.gz KSBSURMFRIOQOH-UHFFFAOYSA-N 1 0 415.538 2.609 20 0 HFADRO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2O1 ZINC000789815108 1077823753 /nfs/dbraw/zinc/82/37/53/1077823753.db2.gz WHIBIXXLEMQEKT-HZPDHXFCSA-N 1 0 401.507 2.599 20 0 HFADRO C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000792336968 1077824701 /nfs/dbraw/zinc/82/47/01/1077824701.db2.gz YKZPKDIYRVLMSK-GHTZIAJQSA-N 1 0 418.582 2.737 20 0 HFADRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)[C@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000792376851 1077828145 /nfs/dbraw/zinc/82/81/45/1077828145.db2.gz ONRUBEMNUWWZEC-ZWKOTPCHSA-N 1 0 410.440 2.602 20 0 HFADRO CCC[C@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)[C@H](O)c1ccccc1 ZINC000792405351 1077838921 /nfs/dbraw/zinc/83/89/21/1077838921.db2.gz BGDKTGKMVPRSJU-GHTZIAJQSA-N 1 0 413.518 2.714 20 0 HFADRO COC(=O)c1nccc2c1cccc2N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170166739 1077853951 /nfs/dbraw/zinc/85/39/51/1077853951.db2.gz NXUHSQRTMFWGAN-UHFFFAOYSA-N 1 0 405.458 2.890 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000792495675 1077867439 /nfs/dbraw/zinc/86/74/39/1077867439.db2.gz NSIJWJROKCEROY-CSHXORCISA-N 1 0 419.529 2.957 20 0 HFADRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000789966537 1077873903 /nfs/dbraw/zinc/87/39/03/1077873903.db2.gz HRWDYGWVMIDMIS-SFTDATJTSA-N 1 0 424.545 2.911 20 0 HFADRO COc1ccc(CN2CC[NH+](C)CC2)cc1NCc1ccnc(-c2cnn(C)c2)c1 ZINC001170124638 1077881648 /nfs/dbraw/zinc/88/16/48/1077881648.db2.gz AMCKYPKWESFLDR-UHFFFAOYSA-N 1 0 406.534 2.850 20 0 HFADRO COc1cc(C(F)(F)F)ncc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000792514797 1077882636 /nfs/dbraw/zinc/88/26/36/1077882636.db2.gz YFQXBAWSLSGHJH-CYBMUJFWSA-N 1 0 402.417 2.874 20 0 HFADRO Cn1nc(Br)cc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792556051 1077901886 /nfs/dbraw/zinc/90/18/86/1077901886.db2.gz RMWUCQJGUWOZFX-UHFFFAOYSA-N 1 0 409.250 2.718 20 0 HFADRO CCOC(CC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1)OCC ZINC000789974567 1077902639 /nfs/dbraw/zinc/90/26/39/1077902639.db2.gz JXTPYLFBBUAPDQ-UHFFFAOYSA-N 1 0 407.555 2.919 20 0 HFADRO CCCC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790032448 1077904294 /nfs/dbraw/zinc/90/42/94/1077904294.db2.gz MGOQVZSWXRXIFX-UHFFFAOYSA-N 1 0 414.594 2.716 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790041308 1077908574 /nfs/dbraw/zinc/90/85/74/1077908574.db2.gz LNJFXFQTEZAIMA-WBVHZDCISA-N 1 0 411.568 2.815 20 0 HFADRO CC[C@@H]1C[C@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@H]3C)CCO1 ZINC001170214224 1077908757 /nfs/dbraw/zinc/90/87/57/1077908757.db2.gz MQXINACSPISQQF-KFKAGJAMSA-N 1 0 407.580 2.991 20 0 HFADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC001170218014 1077909978 /nfs/dbraw/zinc/90/99/78/1077909978.db2.gz SIFONADMUYAXGT-GGAORHGYSA-N 1 0 415.578 2.936 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792577343 1077914616 /nfs/dbraw/zinc/91/46/16/1077914616.db2.gz FPOVVHJUEYNYEU-ZCNNSNEGSA-N 1 0 411.546 2.834 20 0 HFADRO CN(C[C@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1)C(=O)OC(C)(C)C ZINC000790017656 1077914790 /nfs/dbraw/zinc/91/47/90/1077914790.db2.gz SSCCUWOBBOLILT-QGZVFWFLSA-N 1 0 411.568 2.626 20 0 HFADRO O=C1N=NC(C2CC[NH+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC2)O1 ZINC001170245656 1077916279 /nfs/dbraw/zinc/91/62/79/1077916279.db2.gz XTSBABKGFRZLPX-OAHLLOKOSA-N 1 0 408.405 2.752 20 0 HFADRO CC[C@H]1C[C@H]([N@@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC)[C@H]3CC2)CCO1 ZINC001170222224 1077916582 /nfs/dbraw/zinc/91/65/82/1077916582.db2.gz PVAOFSSKRIPRIR-XWSJACJDSA-N 1 0 408.564 2.880 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(C3N=NC(=S)N3C3CC3)CC2)cc1 ZINC000790024422 1077917481 /nfs/dbraw/zinc/91/74/81/1077917481.db2.gz GISBZSOASNESCS-UHFFFAOYSA-N 1 0 421.592 2.532 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000790025383 1077918065 /nfs/dbraw/zinc/91/80/65/1077918065.db2.gz FWUYFSOQDNSEPL-UHFFFAOYSA-N 1 0 411.568 2.862 20 0 HFADRO O=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746872758 1077920943 /nfs/dbraw/zinc/92/09/43/1077920943.db2.gz YPGYRDXOGLUROM-UHFFFAOYSA-N 1 0 405.926 2.979 20 0 HFADRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1nnc(CC(C)C)s1 ZINC001170264543 1077921100 /nfs/dbraw/zinc/92/11/00/1077921100.db2.gz PXFONPICROTLQN-HOCLYGCPSA-N 1 0 404.536 2.685 20 0 HFADRO Cc1cc(=O)[nH]c(C(C)(C)NCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC001170274709 1077926193 /nfs/dbraw/zinc/92/61/93/1077926193.db2.gz YLPZDTGHGHOOFN-HOTGVXAUSA-N 1 0 413.522 2.568 20 0 HFADRO C[C@H](Cc1ccccc1Cl)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001170274939 1077926214 /nfs/dbraw/zinc/92/62/14/1077926214.db2.gz SZZKIQYKFDEGCE-UAMLPYHUSA-N 1 0 414.937 2.970 20 0 HFADRO C[NH+]1CCN(c2cccc(C(=O)N3CCCC[C@@H]3C(=O)OCc3ccccc3)n2)CC1 ZINC000792601899 1077930526 /nfs/dbraw/zinc/93/05/26/1077930526.db2.gz OPVUEWNZYNSHDO-OAQYLSRUSA-N 1 0 422.529 2.572 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001170280955 1077936533 /nfs/dbraw/zinc/93/65/33/1077936533.db2.gz CBTGOWOZPJOLJA-MRXNPFEDSA-N 1 0 401.938 2.622 20 0 HFADRO C[C@H](Cc1ccccc1Cl)N1Cc2nccn2C[C@H](C[NH+]2CCN(C)CC2)C1 ZINC001170281268 1077936830 /nfs/dbraw/zinc/93/68/30/1077936830.db2.gz CMPRSQPWNUQCFB-MOPGFXCFSA-N 1 0 401.986 2.847 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(S(=O)(=O)c3ccccc3F)cc2)O1 ZINC001170283266 1077937266 /nfs/dbraw/zinc/93/72/66/1077937266.db2.gz MJVZIOMHTFONQZ-GGPKGHCWSA-N 1 0 408.495 2.795 20 0 HFADRO COC(=O)c1cc(Br)c(C)c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])c1 ZINC001170285046 1077937629 /nfs/dbraw/zinc/93/76/29/1077937629.db2.gz UPDLMRWFHOUHPI-BFYDXBDKSA-N 1 0 401.301 2.681 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1cccc(C(F)(F)F)c1 ZINC001170320911 1077942645 /nfs/dbraw/zinc/94/26/45/1077942645.db2.gz PVQFPOTYNKCSPY-LJQANCHMSA-N 1 0 422.451 2.970 20 0 HFADRO CCS(=O)(=O)c1ccc(CNc2cccc(NC(=O)NC3CC[NH2+]CC3)c2)cc1 ZINC001170330220 1077944845 /nfs/dbraw/zinc/94/48/45/1077944845.db2.gz BDTHOLUYLYPQKU-UHFFFAOYSA-N 1 0 416.547 2.966 20 0 HFADRO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170333632 1077945836 /nfs/dbraw/zinc/94/58/36/1077945836.db2.gz QTDAQNQMRGOPNZ-AUSIDOKSSA-N 1 0 403.567 2.812 20 0 HFADRO C[C@H]1CN(Cc2ccccc2)CC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170333731 1077945863 /nfs/dbraw/zinc/94/58/63/1077945863.db2.gz QTDAQNQMRGOPNZ-WMZHIEFXSA-N 1 0 403.567 2.812 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792639358 1077950362 /nfs/dbraw/zinc/95/03/62/1077950362.db2.gz WWLZFHSCVZSWFV-UHFFFAOYSA-N 1 0 418.582 2.649 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCc4cccc(OC)c4C3)CC2)cc1 ZINC001170343109 1077953900 /nfs/dbraw/zinc/95/39/00/1077953900.db2.gz WTTDETMDALTRNA-UHFFFAOYSA-N 1 0 423.557 2.796 20 0 HFADRO Cc1cnc(N2CCC(C[NH3+])CC2)nc1NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC001170346489 1077954574 /nfs/dbraw/zinc/95/45/74/1077954574.db2.gz MZZZEOPLQHAHME-UHFFFAOYSA-N 1 0 402.587 2.657 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC001170384484 1077956571 /nfs/dbraw/zinc/95/65/71/1077956571.db2.gz BYUSUCKVTAEFFG-CWFSZBLJSA-N 1 0 420.579 2.887 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000790122706 1077957907 /nfs/dbraw/zinc/95/79/07/1077957907.db2.gz VJUDESJFBRRDIO-JOCHJYFZSA-N 1 0 414.525 2.883 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000790121992 1077958415 /nfs/dbraw/zinc/95/84/15/1077958415.db2.gz PTTYWYZUNHVKFA-LJQANCHMSA-N 1 0 402.564 2.806 20 0 HFADRO Cc1ccc([C@@H](C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)N2CCOCC2)o1 ZINC000790123055 1077958613 /nfs/dbraw/zinc/95/86/13/1077958613.db2.gz CXBKFJUJKNARSO-HXUWFJFHSA-N 1 0 400.523 2.646 20 0 HFADRO Cc1ccc([C@H](C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)N2CCOCC2)o1 ZINC000790123054 1077958651 /nfs/dbraw/zinc/95/86/51/1077958651.db2.gz CXBKFJUJKNARSO-FQEVSTJZSA-N 1 0 400.523 2.646 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1cc(NCC(=O)NCc2ccco2)nc2ccccc21 ZINC001170375472 1077961928 /nfs/dbraw/zinc/96/19/28/1077961928.db2.gz UUNYJSNDIVNIDC-UHFFFAOYSA-N 1 0 423.517 2.628 20 0 HFADRO CC(C)[C@@](C)([NH2+]CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(N)=O ZINC001170129190 1077964744 /nfs/dbraw/zinc/96/47/44/1077964744.db2.gz WQROKUUHVWUOHF-MZNJEOGPSA-N 1 0 424.545 2.948 20 0 HFADRO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170412695 1077967121 /nfs/dbraw/zinc/96/71/21/1077967121.db2.gz SWICTAGDCCOLNQ-SJORKVTESA-N 1 0 419.566 2.885 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000790192015 1077967293 /nfs/dbraw/zinc/96/72/93/1077967293.db2.gz ZWOAKLZKCWZOTE-RDJZCZTQSA-N 1 0 411.468 2.869 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ncc(C)c(OC)c2C)c1 ZINC000790193894 1077967561 /nfs/dbraw/zinc/96/75/61/1077967561.db2.gz RMQIZZAPYGEKJK-UHFFFAOYSA-N 1 0 400.523 2.989 20 0 HFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C[C@H](O)c2cnn(CC)c2)C1 ZINC000790241287 1077974887 /nfs/dbraw/zinc/97/48/87/1077974887.db2.gz QVBFVRYWKLOPRX-UNMCSNQZSA-N 1 0 413.566 2.880 20 0 HFADRO COc1ccc(CC[N@H+](CC(C)C)[C@@H]2CCN(C3CCOCC3)C2=O)cc1OC ZINC000790291180 1077987441 /nfs/dbraw/zinc/98/74/41/1077987441.db2.gz SPBXIXAYSSSPMR-HXUWFJFHSA-N 1 0 404.551 2.984 20 0 HFADRO O=S(=O)(C[C@@H]1CCCOC1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765547 1077988286 /nfs/dbraw/zinc/98/82/86/1077988286.db2.gz QBDFFIWUECBFCQ-WBVHZDCISA-N 1 0 406.470 2.626 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792789297 1077991874 /nfs/dbraw/zinc/99/18/74/1077991874.db2.gz WSZJCXZOWHLXOQ-LJQANCHMSA-N 1 0 424.586 2.600 20 0 HFADRO CCC[N@H+]([C@H]1CCN(C2CCOCC2)C1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000790313749 1077994568 /nfs/dbraw/zinc/99/45/68/1077994568.db2.gz CRFTYWMTUIVBDY-QFIPXVFZSA-N 1 0 413.562 2.783 20 0 HFADRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000790315275 1077995208 /nfs/dbraw/zinc/99/52/08/1077995208.db2.gz WSJHRVBBWGGQSU-NRJQMVOHSA-N 1 0 409.571 2.830 20 0 HFADRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000747086878 1077997364 /nfs/dbraw/zinc/99/73/64/1077997364.db2.gz IHOHBBDGUVZLSP-MBSDFSHPSA-N 1 0 414.550 2.862 20 0 HFADRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccc(OC)cc3)cn2)CC1 ZINC000792813852 1078002315 /nfs/dbraw/zinc/00/23/15/1078002315.db2.gz YDLMBXCEUXTFIX-LEWJYISDSA-N 1 0 409.534 2.587 20 0 HFADRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1nnnn1C1CC1 ZINC000790358042 1078003339 /nfs/dbraw/zinc/00/33/39/1078003339.db2.gz GQKLNMOZCLSYEE-IUODEOHRSA-N 1 0 423.443 2.662 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCOCCOCCNC(=O)OC(C)(C)C ZINC001170421099 1078005133 /nfs/dbraw/zinc/00/51/33/1078005133.db2.gz OPNZVWDKUQQFNQ-GOSISDBHSA-N 1 0 424.538 2.884 20 0 HFADRO CC(C)[C@@H](CCN(C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)NC(=O)OC(C)(C)C ZINC000790363687 1078005359 /nfs/dbraw/zinc/00/53/59/1078005359.db2.gz BJQAEHVORDIIEX-XMSQKQJNSA-N 1 0 424.586 2.732 20 0 HFADRO C[C@]1(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792858898 1078010131 /nfs/dbraw/zinc/01/01/31/1078010131.db2.gz MWFXEXUVVQPOKU-AVRDEDQJSA-N 1 0 400.523 2.571 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000792848041 1078014086 /nfs/dbraw/zinc/01/40/86/1078014086.db2.gz LBCJDKQLACNCIT-QMMLZNLJSA-N 1 0 424.545 2.959 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000792853209 1078014932 /nfs/dbraw/zinc/01/49/32/1078014932.db2.gz FBPZUFSDILCSTI-KRWDZBQOSA-N 1 0 423.517 2.810 20 0 HFADRO Fc1cc(F)c(N2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)nc1F ZINC000792880296 1078016260 /nfs/dbraw/zinc/01/62/60/1078016260.db2.gz CUYMUWGVQJAGCL-SFHVURJKSA-N 1 0 420.479 2.912 20 0 HFADRO COc1ccc(OC)c([C@@H]2CCCN2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790371183 1078016952 /nfs/dbraw/zinc/01/69/52/1078016952.db2.gz VOXWNJJCBUXLQA-SIKLNZKXSA-N 1 0 401.507 2.715 20 0 HFADRO CC(C)CNC(=O)c1ccccc1NC(=O)CN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000792938749 1078021997 /nfs/dbraw/zinc/02/19/97/1078021997.db2.gz CPYIDESXELQEID-OAQYLSRUSA-N 1 0 422.573 2.870 20 0 HFADRO CC[N@H+](CCNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)C1CC1 ZINC000792911043 1078023637 /nfs/dbraw/zinc/02/36/37/1078023637.db2.gz GFMMVROMNBEFFB-IBGZPJMESA-N 1 0 402.539 2.819 20 0 HFADRO COc1cccc([C@@H](C)N2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971986 1078029937 /nfs/dbraw/zinc/02/99/37/1078029937.db2.gz DZCCDPHSKMVSKH-IEBWSBKVSA-N 1 0 407.555 2.650 20 0 HFADRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438856 1078031363 /nfs/dbraw/zinc/03/13/63/1078031363.db2.gz NUHOZYPZXNTOEQ-QZTJIDSGSA-N 1 0 413.518 2.798 20 0 HFADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)n2)[NH+]2CCCC2)cc1 ZINC000792948469 1078032585 /nfs/dbraw/zinc/03/25/85/1078032585.db2.gz VDGKDDBFGIJBJJ-INIZCTEOSA-N 1 0 402.882 2.635 20 0 HFADRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000792948889 1078032991 /nfs/dbraw/zinc/03/29/91/1078032991.db2.gz MEQNJZKBPBMWQI-QWHCGFSZSA-N 1 0 416.503 2.740 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000747093853 1078033141 /nfs/dbraw/zinc/03/31/41/1078033141.db2.gz BFOPAHPARJZINV-YLJYHZDGSA-N 1 0 412.490 2.869 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)CC(C)C ZINC000792951631 1078033353 /nfs/dbraw/zinc/03/33/53/1078033353.db2.gz NMZFZAMJLOUEHK-AWEZNQCLSA-N 1 0 413.360 2.964 20 0 HFADRO COC(=O)c1c2cnn(CN3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2ccc1Br ZINC000790443658 1078033489 /nfs/dbraw/zinc/03/34/89/1078033489.db2.gz ZYSKRBMLKFATML-CJNGLKHVSA-N 1 0 421.339 2.959 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@@H](C[NH+]4CCCC4)C3)c2ccc1Br ZINC000790443299 1078033692 /nfs/dbraw/zinc/03/36/92/1078033692.db2.gz MFCHKSRUVPZSRJ-AWEZNQCLSA-N 1 0 421.339 2.961 20 0 HFADRO COC(=O)c1c2cnn(CN3CCC[N@@H+](C(C)C)CC3)c2ccc1Br ZINC000790447962 1078034455 /nfs/dbraw/zinc/03/44/55/1078034455.db2.gz YCTRKHHIISQGHR-UHFFFAOYSA-N 1 0 409.328 2.959 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792982680 1078039992 /nfs/dbraw/zinc/03/99/92/1078039992.db2.gz FZWXEHVSRHWNSE-CABCVRRESA-N 1 0 423.355 2.896 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CC[N@@H+]1C ZINC000792985036 1078040926 /nfs/dbraw/zinc/04/09/26/1078040926.db2.gz JBIDLOTVEHBOES-RLLQIKCJSA-N 1 0 402.539 2.817 20 0 HFADRO C[C@H](CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000792990240 1078042256 /nfs/dbraw/zinc/04/22/56/1078042256.db2.gz SINGTOFAVZOKLW-IEBWSBKVSA-N 1 0 402.539 2.817 20 0 HFADRO C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1nnnn1C1CC1 ZINC000790490358 1078043085 /nfs/dbraw/zinc/04/30/85/1078043085.db2.gz NNGJKVJNSIXBBP-IAQYHMDHSA-N 1 0 411.432 2.690 20 0 HFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H](O)COc1cccc(F)c1)[NH+](C)C ZINC000806226674 1079509074 /nfs/dbraw/zinc/50/90/74/1079509074.db2.gz CLDOPTXUDFHJPK-BLIXFSHQSA-N 1 0 403.498 2.864 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000806271510 1079534517 /nfs/dbraw/zinc/53/45/17/1079534517.db2.gz CCSSNZAMIIRQBS-FQEVSTJZSA-N 1 0 420.554 2.997 20 0 HFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(F)(F)Br ZINC000806317439 1079552219 /nfs/dbraw/zinc/55/22/19/1079552219.db2.gz BQVQSIGUPSISDW-UHFFFAOYSA-N 1 0 421.286 2.946 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806303677 1079556371 /nfs/dbraw/zinc/55/63/71/1079556371.db2.gz QGLFVRVJUSYJLV-QMMLZNLJSA-N 1 0 423.561 2.594 20 0 HFADRO Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001130586772 1079562561 /nfs/dbraw/zinc/56/25/61/1079562561.db2.gz UNHXACYWRRJZGA-KZNAEPCWSA-N 1 0 407.580 2.723 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321256 1079591744 /nfs/dbraw/zinc/59/17/44/1079591744.db2.gz SKUXKMQTQWIINT-PMACEKPBSA-N 1 0 408.631 2.725 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000747324673 1079592905 /nfs/dbraw/zinc/59/29/05/1079592905.db2.gz CXMDKHVGQSFAGC-PMACEKPBSA-N 1 0 403.486 2.527 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(C)(C)C ZINC000806321482 1079593426 /nfs/dbraw/zinc/59/34/26/1079593426.db2.gz VXIGPQVQMZJPHU-AQNXPRMDSA-N 1 0 408.631 2.582 20 0 HFADRO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000747325554 1079598308 /nfs/dbraw/zinc/59/83/08/1079598308.db2.gz NBYZBFJHEGISPU-CABCVRRESA-N 1 0 411.531 2.598 20 0 HFADRO C[C@]1(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001130609920 1079629375 /nfs/dbraw/zinc/62/93/75/1079629375.db2.gz NMMXSOBWVOTTMY-URXFXBBRSA-N 1 0 406.530 2.715 20 0 HFADRO C[C@]1(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001130609918 1079629382 /nfs/dbraw/zinc/62/93/82/1079629382.db2.gz NMMXSOBWVOTTMY-QPPBQGQZSA-N 1 0 406.530 2.715 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)C(C)(C)C ZINC000806391045 1079641564 /nfs/dbraw/zinc/64/15/64/1079641564.db2.gz QAXINHMYNKUSRS-JZXOWHBKSA-N 1 0 409.596 2.645 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)C(C)(C)C ZINC000806390390 1079642171 /nfs/dbraw/zinc/64/21/71/1079642171.db2.gz IZXUJTQWIWRTJS-PMACEKPBSA-N 1 0 403.567 2.753 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000806423748 1079668505 /nfs/dbraw/zinc/66/85/05/1079668505.db2.gz CZAXKPORRNPLHE-SFTDATJTSA-N 1 0 411.933 2.704 20 0 HFADRO Cn1ncc(NC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1C1CC1 ZINC000806428426 1079674655 /nfs/dbraw/zinc/67/46/55/1079674655.db2.gz HAXBNPJUFRDYMX-HXUWFJFHSA-N 1 0 408.550 2.722 20 0 HFADRO C[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000806434952 1079681373 /nfs/dbraw/zinc/68/13/73/1079681373.db2.gz ZDEMMFXZRLWCPN-PXNSSMCTSA-N 1 0 402.539 2.696 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000806394410 1079684436 /nfs/dbraw/zinc/68/44/36/1079684436.db2.gz NAHYPUOEIDMODK-FQEVSTJZSA-N 1 0 402.539 2.743 20 0 HFADRO C[C@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473419 1079703222 /nfs/dbraw/zinc/70/32/22/1079703222.db2.gz QFJKOXJUPJHYSY-INIZCTEOSA-N 1 0 416.547 2.645 20 0 HFADRO Cc1cccc(C)c1CCNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000806447611 1079718748 /nfs/dbraw/zinc/71/87/48/1079718748.db2.gz VMTWJIZULBNTFH-VWLOTQADSA-N 1 0 407.558 2.991 20 0 HFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCCC23OCCO3)cc1OC ZINC000806510814 1079753275 /nfs/dbraw/zinc/75/32/75/1079753275.db2.gz AWYXRDJIKOFPNO-SFHVURJKSA-N 1 0 406.523 2.575 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)([NH+](C)C)C1 ZINC000806502915 1079753825 /nfs/dbraw/zinc/75/38/25/1079753825.db2.gz LACIUFHKYDQJHK-IWQHBPENSA-N 1 0 424.586 2.576 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2cccc(N3CCOC3=O)c2)cc1 ZINC000806505006 1079755222 /nfs/dbraw/zinc/75/52/22/1079755222.db2.gz GFYGLANWPNKMCK-FQEVSTJZSA-N 1 0 412.490 2.754 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2cccc(N3CCOC3=O)c2)cc1 ZINC000806505007 1079755282 /nfs/dbraw/zinc/75/52/82/1079755282.db2.gz GFYGLANWPNKMCK-HXUWFJFHSA-N 1 0 412.490 2.754 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000806541149 1079778656 /nfs/dbraw/zinc/77/86/56/1079778656.db2.gz PEELSOSKMCYQGU-HXUWFJFHSA-N 1 0 424.586 2.720 20 0 HFADRO CCCCc1ccc(N2C[C@H](C(=O)N3CC[NH+](C4CCOCC4)CC3)CC2=O)cc1 ZINC000747334817 1079786826 /nfs/dbraw/zinc/78/68/26/1079786826.db2.gz SOFQANQBLONPOX-HXUWFJFHSA-N 1 0 413.562 2.705 20 0 HFADRO COCCn1cc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c(=O)cc1C ZINC000806534489 1079805699 /nfs/dbraw/zinc/80/56/99/1079805699.db2.gz CUXZBCBOJIALJF-UHFFFAOYSA-N 1 0 412.534 2.586 20 0 HFADRO CN(c1ccc(NC(=O)c2cnc(C3OCCO3)s2)cc1)C1CC[NH+](C)CC1 ZINC000806535619 1079809379 /nfs/dbraw/zinc/80/93/79/1079809379.db2.gz XLAVHDNYEZVOJN-UHFFFAOYSA-N 1 0 402.520 2.971 20 0 HFADRO CC[NH+](CC)CCN(C(=O)Cn1nc2n(c1=O)CCCCC2)c1ccc(Cl)cc1 ZINC001130671654 1079822074 /nfs/dbraw/zinc/82/20/74/1079822074.db2.gz RLILGKIMCNOHNG-UHFFFAOYSA-N 1 0 419.957 2.800 20 0 HFADRO COC(=O)[C@@H]1CO[C@H](CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)C1 ZINC001130673272 1079824312 /nfs/dbraw/zinc/82/43/12/1079824312.db2.gz SORSZRWNRJGDLW-OAGDOXAWSA-N 1 0 402.535 2.855 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000806594854 1079837922 /nfs/dbraw/zinc/83/79/22/1079837922.db2.gz STCHNYZGOOJIHT-AEFFLSMTSA-N 1 0 406.958 2.507 20 0 HFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000806596509 1079837953 /nfs/dbraw/zinc/83/79/53/1079837953.db2.gz YHZUNNGFJISILQ-MAUKXSAKSA-N 1 0 420.966 2.655 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000806653165 1079871247 /nfs/dbraw/zinc/87/12/47/1079871247.db2.gz WVJBFKMGRHOZOG-GBXCKJPGSA-N 1 0 422.573 2.842 20 0 HFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747341879 1079875462 /nfs/dbraw/zinc/87/54/62/1079875462.db2.gz INNACQQYFUUEQX-IRXDYDNUSA-N 1 0 406.889 2.625 20 0 HFADRO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747341682 1079875884 /nfs/dbraw/zinc/87/58/84/1079875884.db2.gz HDFBJJKFOCUIGA-HOTGVXAUSA-N 1 0 409.490 2.865 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000747343189 1079906242 /nfs/dbraw/zinc/90/62/42/1079906242.db2.gz OSSYBOKNFSBPRH-IAGOWNOFSA-N 1 0 409.515 2.589 20 0 HFADRO O=C(COc1ccc2ccccc2c1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747342736 1079924435 /nfs/dbraw/zinc/92/44/35/1079924435.db2.gz NWLQRKRGVRLFMC-CVEARBPZSA-N 1 0 419.319 2.961 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000806726069 1079949631 /nfs/dbraw/zinc/94/96/31/1079949631.db2.gz LBCJSWXJNAJFQQ-IBGZPJMESA-N 1 0 420.554 2.779 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806735632 1079960868 /nfs/dbraw/zinc/96/08/68/1079960868.db2.gz ATKVMCMMGFRPAS-YTFSRNRJSA-N 1 0 409.530 2.795 20 0 HFADRO COc1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000806737552 1079963493 /nfs/dbraw/zinc/96/34/93/1079963493.db2.gz QDOGAPDCMSFBRH-DEOSSOPVSA-N 1 0 409.530 2.648 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000806759298 1079977406 /nfs/dbraw/zinc/97/74/06/1079977406.db2.gz XHVFUNOCBMEHPH-KRWDZBQOSA-N 1 0 412.575 2.528 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3cnc4ccccc4c3O)cc2)CC1 ZINC001130742210 1080005493 /nfs/dbraw/zinc/00/54/93/1080005493.db2.gz NJFTYZILWLLTCX-UHFFFAOYSA-N 1 0 420.513 2.797 20 0 HFADRO CC(C)c1nnc(CCC(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)o1 ZINC001130742427 1080006699 /nfs/dbraw/zinc/00/66/99/1080006699.db2.gz WZIPHZMOHXVGCY-UHFFFAOYSA-N 1 0 415.538 2.781 20 0 HFADRO COCC[N@H+](C)CCCNC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806799639 1080016906 /nfs/dbraw/zinc/01/69/06/1080016906.db2.gz XZPXIJBQUYPXPX-UHFFFAOYSA-N 1 0 413.238 2.953 20 0 HFADRO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806813887 1080027343 /nfs/dbraw/zinc/02/73/43/1080027343.db2.gz DASWNBAYLKIGIV-MSOLQXFVSA-N 1 0 415.456 2.681 20 0 HFADRO COc1ccccc1O[C@H]1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000806815099 1080027860 /nfs/dbraw/zinc/02/78/60/1080027860.db2.gz ZWZWWQHWVGXANY-UXHICEINSA-N 1 0 417.550 2.891 20 0 HFADRO Cc1ccc(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(Cl)n1 ZINC000806821040 1080039044 /nfs/dbraw/zinc/03/90/44/1080039044.db2.gz OWUKVPPAYUUZTK-IBGZPJMESA-N 1 0 414.937 2.600 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1cccc2cc(Br)cnc21)[NH+]1CCCCC1 ZINC000806857241 1080061675 /nfs/dbraw/zinc/06/16/75/1080061675.db2.gz OLYBHSAVLRYPJQ-CYBMUJFWSA-N 1 0 419.323 2.926 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000806862860 1080065609 /nfs/dbraw/zinc/06/56/09/1080065609.db2.gz REUOCBKDNCNKRW-NHCUHLMSSA-N 1 0 410.518 2.711 20 0 HFADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806868836 1080068900 /nfs/dbraw/zinc/06/89/00/1080068900.db2.gz YNCKIAKHUGHFPG-UHFFFAOYSA-N 1 0 411.546 2.876 20 0 HFADRO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)ccc1OCC[NH+]1CCCC1 ZINC000806886614 1080083637 /nfs/dbraw/zinc/08/36/37/1080083637.db2.gz OHPZCWXDGPVLQK-INIZCTEOSA-N 1 0 413.440 2.961 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000806910646 1080116613 /nfs/dbraw/zinc/11/66/13/1080116613.db2.gz ARJCXQUDLSQNMF-LJQANCHMSA-N 1 0 408.518 2.956 20 0 HFADRO O=C(NCc1nc([C@H]2CC[C@@H](C[NH2+]CCC3CC3)O2)n[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001130794276 1080124637 /nfs/dbraw/zinc/12/46/37/1080124637.db2.gz PKPGMGHRGLVZQY-LTFXXXRZSA-N 1 0 401.555 2.857 20 0 HFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806964929 1080131620 /nfs/dbraw/zinc/13/16/20/1080131620.db2.gz HNGGZFMHVSEXHV-MJGOQNOKSA-N 1 0 409.530 2.879 20 0 HFADRO Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)sn1 ZINC000807007453 1080206726 /nfs/dbraw/zinc/20/67/26/1080206726.db2.gz HNDBMAHGCGIRKJ-UHFFFAOYSA-N 1 0 405.499 2.698 20 0 HFADRO C[NH+](C)C1(CNC(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CCC1 ZINC000807027307 1080222162 /nfs/dbraw/zinc/22/21/62/1080222162.db2.gz UPZPWLPLKNSUGH-UHFFFAOYSA-N 1 0 414.594 2.670 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807068973 1080250796 /nfs/dbraw/zinc/25/07/96/1080250796.db2.gz XRVKUVAWRMUJJA-LPHOPBHVSA-N 1 0 417.554 2.995 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000807088968 1080265687 /nfs/dbraw/zinc/26/56/87/1080265687.db2.gz UGYXQCFVBQMLCZ-NQIIRXRSSA-N 1 0 401.551 2.509 20 0 HFADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807089517 1080268125 /nfs/dbraw/zinc/26/81/25/1080268125.db2.gz GZACYBXRQXJWHT-JOCHJYFZSA-N 1 0 415.578 2.851 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000807090551 1080270284 /nfs/dbraw/zinc/27/02/84/1080270284.db2.gz VCYHSUOMZBJUOH-JOCHJYFZSA-N 1 0 413.562 2.747 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)c2ccc(N3CCOCC3)nc2)[NH+](C)C)cc1 ZINC000805276142 1080276139 /nfs/dbraw/zinc/27/61/39/1080276139.db2.gz SIBKDXUHYZDGPW-NRFANRHFSA-N 1 0 412.534 2.738 20 0 HFADRO CCOC(=O)C1=C(Nc2ccc3[nH]c4c(c3c2)CC(=O)Nc2cccnc2-4)CC[NH2+]C1 ZINC001170518040 1080276220 /nfs/dbraw/zinc/27/62/20/1080276220.db2.gz XRRBNOLBBGSWPZ-UHFFFAOYSA-N 1 0 417.469 2.947 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000747372719 1080286370 /nfs/dbraw/zinc/28/63/70/1080286370.db2.gz ABYWYOUERQIXND-FGTMMUONSA-N 1 0 409.571 2.924 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000807114409 1080291457 /nfs/dbraw/zinc/29/14/57/1080291457.db2.gz MJDJAXCSCFDCCS-DEVSCXNHSA-N 1 0 424.545 2.919 20 0 HFADRO CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000807129347 1080295761 /nfs/dbraw/zinc/29/57/61/1080295761.db2.gz CVERVXUBWUTWAS-HKUYNNGSSA-N 1 0 406.527 2.607 20 0 HFADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000807139615 1080299445 /nfs/dbraw/zinc/29/94/45/1080299445.db2.gz UMNGQOAVFSFKMU-KVPLUYHFSA-N 1 0 402.539 2.816 20 0 HFADRO COC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000807147574 1080302703 /nfs/dbraw/zinc/30/27/03/1080302703.db2.gz GEBYFLODHJTACC-SQGPQFPESA-N 1 0 402.539 2.816 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000807148317 1080304672 /nfs/dbraw/zinc/30/46/72/1080304672.db2.gz VIOYZLUQMVEYEF-VQTJNVASSA-N 1 0 402.539 2.817 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000807148370 1080304686 /nfs/dbraw/zinc/30/46/86/1080304686.db2.gz CFACBMAFSBVIHO-IEZWGBDMSA-N 1 0 408.518 2.985 20 0 HFADRO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807188070 1080337129 /nfs/dbraw/zinc/33/71/29/1080337129.db2.gz IZRRJROKFWGPBM-INIZCTEOSA-N 1 0 402.539 2.917 20 0 HFADRO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807188076 1080337220 /nfs/dbraw/zinc/33/72/20/1080337220.db2.gz IZRRJROKFWGPBM-MRXNPFEDSA-N 1 0 402.539 2.917 20 0 HFADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C12CCCC2 ZINC000807198127 1080346064 /nfs/dbraw/zinc/34/60/64/1080346064.db2.gz DGNLCHSVYHJYLZ-TUNPWDSISA-N 1 0 405.583 2.754 20 0 HFADRO C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000807181101 1080373656 /nfs/dbraw/zinc/37/36/56/1080373656.db2.gz NVSPEQATKOPFOI-WMLDXEAASA-N 1 0 403.445 2.539 20 0 HFADRO Cc1nn(C)c2nc(C)c(CCC(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)c(C)c12 ZINC000747376431 1080376398 /nfs/dbraw/zinc/37/63/98/1080376398.db2.gz RXRQSZRNIGBJHQ-YSIASYRMSA-N 1 0 413.566 2.536 20 0 HFADRO CCCCC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001130880889 1080387415 /nfs/dbraw/zinc/38/74/15/1080387415.db2.gz UBCDNXGLCJFWCU-CESLEGSUSA-N 1 0 402.539 2.525 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000807233710 1080391888 /nfs/dbraw/zinc/39/18/88/1080391888.db2.gz ZBGWIGAJZKNMEB-SREVYHEPSA-N 1 0 402.539 2.639 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H](CCO)Cc3ccccc3)cc2)CC1 ZINC000807254575 1080413733 /nfs/dbraw/zinc/41/37/33/1080413733.db2.gz DSDQRILZMWETPZ-NRFANRHFSA-N 1 0 411.546 2.953 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccco1 ZINC000807310179 1080502666 /nfs/dbraw/zinc/50/26/66/1080502666.db2.gz BHFYXSJQJYCWHT-CXAGYDPISA-N 1 0 411.462 2.822 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1C)c1ccco1 ZINC000807310448 1080504804 /nfs/dbraw/zinc/50/48/04/1080504804.db2.gz IYEHBXDLGXEMKD-SMDDNHRTSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)c1ccco1 ZINC000807310537 1080505248 /nfs/dbraw/zinc/50/52/48/1080505248.db2.gz LTGOTPLOQCQMFY-STQMWFEESA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)OC)cc1)c1ccco1 ZINC000807313079 1080506144 /nfs/dbraw/zinc/50/61/44/1080506144.db2.gz WGGVWDQVNDSYND-YOEHRIQHSA-N 1 0 416.478 2.666 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000807353829 1080515258 /nfs/dbraw/zinc/51/52/58/1080515258.db2.gz UGCBWNFPRIHJBV-QFIPXVFZSA-N 1 0 409.530 2.967 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000807358752 1080520844 /nfs/dbraw/zinc/52/08/44/1080520844.db2.gz FVVVRFFMPJSZBE-UHFFFAOYSA-N 1 0 416.522 2.615 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(OC(F)(F)F)c1 ZINC000807364394 1080544257 /nfs/dbraw/zinc/54/42/57/1080544257.db2.gz KKWZYTFBSYWUNS-OHRKKDJYSA-N 1 0 413.440 2.894 20 0 HFADRO Cc1ccc([C@H](O)[C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000807347996 1080553224 /nfs/dbraw/zinc/55/32/24/1080553224.db2.gz RWIXBTYJZKUDGI-CDHQVMDDSA-N 1 0 411.502 2.557 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000807394548 1080561526 /nfs/dbraw/zinc/56/15/26/1080561526.db2.gz RXLPCXCHVLTDJJ-KRWDZBQOSA-N 1 0 403.523 2.946 20 0 HFADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCc2cccc(NC(=O)OC)c2)c1 ZINC000807366211 1080566133 /nfs/dbraw/zinc/56/61/33/1080566133.db2.gz TVVXZMRBDKYQSM-UHFFFAOYSA-N 1 0 412.490 2.962 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)Nc3ccc(F)c([C@@H](C)O)c3)c2)CC1 ZINC000807398565 1080594351 /nfs/dbraw/zinc/59/43/51/1080594351.db2.gz XJHSWXJNUJMFTQ-OAHLLOKOSA-N 1 0 414.481 2.598 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000807400828 1080596763 /nfs/dbraw/zinc/59/67/63/1080596763.db2.gz FOAHBJIIJADXMV-JOQOYGCGSA-N 1 0 401.429 2.815 20 0 HFADRO O=C(NCC1(c2cccc(F)c2)CC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807409000 1080603368 /nfs/dbraw/zinc/60/33/68/1080603368.db2.gz ZYXFEHBXKYZOKY-UHFFFAOYSA-N 1 0 401.526 2.887 20 0 HFADRO COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000807413727 1080612470 /nfs/dbraw/zinc/61/24/70/1080612470.db2.gz UYFIJTWBGPXJJQ-UHFFFAOYSA-N 1 0 421.881 2.639 20 0 HFADRO CCn1cncc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1=O ZINC001130967975 1080676901 /nfs/dbraw/zinc/67/69/01/1080676901.db2.gz MLNVZODZLOGDRN-IAGOWNOFSA-N 1 0 409.515 2.574 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000807491990 1080681154 /nfs/dbraw/zinc/68/11/54/1080681154.db2.gz CTJBFZCDSJCDDE-HDICACEKSA-N 1 0 417.554 2.565 20 0 HFADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCC[C@@](C)(O)c3ccccc3)CC2)CC1 ZINC000807496957 1080692074 /nfs/dbraw/zinc/69/20/74/1080692074.db2.gz FAEWZZAPQQXDGH-SLXFGWRHSA-N 1 0 415.578 2.560 20 0 HFADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807500293 1080697135 /nfs/dbraw/zinc/69/71/35/1080697135.db2.gz VHNXYCPRLLSENK-NBGIEHNGSA-N 1 0 423.557 2.523 20 0 HFADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)CC(F)(F)Br)c1 ZINC000807530554 1080744545 /nfs/dbraw/zinc/74/45/45/1080744545.db2.gz NZSOAOHLDOMVGV-UHFFFAOYSA-N 1 0 406.271 2.913 20 0 HFADRO COc1cc(C)cc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807539990 1080754747 /nfs/dbraw/zinc/75/47/47/1080754747.db2.gz SNYUJIJNBWLBDK-XMMPIXPASA-N 1 0 409.530 2.648 20 0 HFADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)no1 ZINC000807542888 1080758700 /nfs/dbraw/zinc/75/87/00/1080758700.db2.gz GJTFUEMRPZABPH-DNVCBOLYSA-N 1 0 419.485 2.763 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1C ZINC000807544565 1080761502 /nfs/dbraw/zinc/76/15/02/1080761502.db2.gz VWKLQKNYDWRFJR-KKSFZXQISA-N 1 0 408.502 2.671 20 0 HFADRO COC[C@]1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807550595 1080767640 /nfs/dbraw/zinc/76/76/40/1080767640.db2.gz IHJIWWUPEFBBMS-XGHQBKJUSA-N 1 0 412.575 2.527 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CCCSC3)cc2)CC1 ZINC000807519862 1080773049 /nfs/dbraw/zinc/77/30/49/1080773049.db2.gz RYWSGPUAPVKMBN-GOSISDBHSA-N 1 0 418.607 2.663 20 0 HFADRO CCOC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000807590041 1080790190 /nfs/dbraw/zinc/79/01/90/1080790190.db2.gz ZYWZCYRNPHMGGS-ICSRJNTNSA-N 1 0 420.554 2.997 20 0 HFADRO CON(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807582558 1080793564 /nfs/dbraw/zinc/79/35/64/1080793564.db2.gz PZPHALCYLPFZTD-HKUYNNGSSA-N 1 0 401.532 2.837 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000807556313 1080806491 /nfs/dbraw/zinc/80/64/91/1080806491.db2.gz OPUCLFLXDZJJDB-QGZVFWFLSA-N 1 0 414.937 2.783 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000807558070 1080808909 /nfs/dbraw/zinc/80/89/09/1080808909.db2.gz RNABKBRRYIUMBG-UHFFFAOYSA-N 1 0 406.958 2.819 20 0 HFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC001183146163 1126153386 /nfs/dbraw/zinc/15/33/86/1126153386.db2.gz QFAOBMPMJWKLIS-LJQANCHMSA-N 1 0 405.292 2.863 20 0 HFADRO CCOC(=O)c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)on1 ZINC001460423208 1126191109 /nfs/dbraw/zinc/19/11/09/1126191109.db2.gz NWOKEKWBWZZUCI-SFHVURJKSA-N 1 0 409.280 2.623 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Br)nc2N)cc1OC ZINC001473839848 1126200104 /nfs/dbraw/zinc/20/01/04/1126200104.db2.gz KZPIHFJMDDPCOC-GOSISDBHSA-N 1 0 410.312 2.527 20 0 HFADRO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@](C)(CO)Cc3ccc(F)cc3)nc2c1 ZINC001473840314 1126200945 /nfs/dbraw/zinc/20/09/45/1126200945.db2.gz VOCGVSKXYWGWPT-FQEVSTJZSA-N 1 0 406.479 2.844 20 0 HFADRO Cn1nc2c(c1C[NH2+][C@]1(CO)CCc3cc(Br)ccc3C1)CSCC2 ZINC001474208441 1126202468 /nfs/dbraw/zinc/20/24/68/1126202468.db2.gz FWCYPCHLENRZMC-LJQANCHMSA-N 1 0 422.392 2.982 20 0 HFADRO COC(=O)c1cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)n(C)c1C ZINC001474227092 1126203439 /nfs/dbraw/zinc/20/34/39/1126203439.db2.gz PZOFEIQNBBVDCY-IBGZPJMESA-N 1 0 409.324 2.966 20 0 HFADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ncc(I)s1 ZINC001474227478 1126203645 /nfs/dbraw/zinc/20/36/45/1126203645.db2.gz XCYJLYLAYMPKGU-CQSZACIVSA-N 1 0 406.264 2.970 20 0 HFADRO COC(=O)c1ccc2c(=O)[nH]c(C[NH2+][C@](C)(CO)Cc3ccc(Cl)cc3)nc2c1 ZINC001560182106 1126208399 /nfs/dbraw/zinc/20/83/99/1126208399.db2.gz AHZORHDTIGWHIU-NRFANRHFSA-N 1 0 415.877 2.859 20 0 HFADRO COc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164392234 718826127 /nfs/dbraw/zinc/82/61/27/718826127.db2.gz ZNDXVEUBIQTPIO-DOTOQJQBSA-N 1 0 410.852 2.918 20 0 HFADRO OC[C@]12C[NH2+]C[C@H]1CN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164401610 718854185 /nfs/dbraw/zinc/85/41/85/718854185.db2.gz CJSSMOBUVPUGSI-QFBILLFUSA-N 1 0 409.864 2.877 20 0 HFADRO FC(F)(c1ccc2cnc(Cl)nc2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164414974 718885153 /nfs/dbraw/zinc/88/51/53/718885153.db2.gz BZUDCAYMBONDTG-UHFFFAOYSA-N 1 0 405.840 2.519 20 0 HFADRO Fc1ccc2nc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)nc(Cl)c2c1 ZINC001164425531 718914597 /nfs/dbraw/zinc/91/45/97/718914597.db2.gz SUYRGYDQHMTVRF-KRWDZBQOSA-N 1 0 416.831 2.553 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001164425266 718939858 /nfs/dbraw/zinc/93/98/58/718939858.db2.gz VHOBIJPDZUJJNN-LSDHHAIUSA-N 1 0 408.836 2.927 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164434833 718967754 /nfs/dbraw/zinc/96/77/54/718967754.db2.gz WAUJSRTYEDCGAG-ZIAGYGMSSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164620237 719013802 /nfs/dbraw/zinc/01/38/02/719013802.db2.gz YAUDBQYJASTGRO-LSJOCFKGSA-N 1 0 402.854 2.619 20 0 HFADRO CCOC(=O)c1nnc(Cl)cc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164613930 719025533 /nfs/dbraw/zinc/02/55/33/719025533.db2.gz KBTNCNNAIOYTLB-UHFFFAOYSA-N 1 0 424.929 2.551 20 0 HFADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c2c1C ZINC001164618945 719122215 /nfs/dbraw/zinc/12/22/15/719122215.db2.gz APIVTCWHNBIWIJ-CVEARBPZSA-N 1 0 419.570 2.654 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC001164643609 719217683 /nfs/dbraw/zinc/21/76/83/719217683.db2.gz ZPIKZRRSUGIPLL-VQTJNVASSA-N 1 0 407.562 2.568 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164634855 719227640 /nfs/dbraw/zinc/22/76/40/719227640.db2.gz HTXKZJIPKJRZJC-UONOGXRCSA-N 1 0 419.938 2.851 20 0 HFADRO CC(C)N(C)Cc1nn(-c2ncc(C(N)=S)c3ccsc32)c2c1CC[NH2+]C2 ZINC001164680806 719653454 /nfs/dbraw/zinc/65/34/54/719653454.db2.gz IWWHSTYHJKDXHW-UHFFFAOYSA-N 1 0 400.577 2.602 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164683137 719710930 /nfs/dbraw/zinc/71/09/30/719710930.db2.gz IPXSHYHJRIFNRB-UHFFFAOYSA-N 1 0 407.609 2.526 20 0 HFADRO CCOC(=O)Cc1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nn1 ZINC001164691277 719811707 /nfs/dbraw/zinc/81/17/07/719811707.db2.gz CVZNXEOCFQMINJ-UHFFFAOYSA-N 1 0 415.563 2.982 20 0 HFADRO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164694977 719835750 /nfs/dbraw/zinc/83/57/50/719835750.db2.gz KABLXJWUGCPMOB-LJQANCHMSA-N 1 0 419.533 2.520 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(C(=O)OC)ccc31)C2 ZINC001164806333 720081984 /nfs/dbraw/zinc/08/19/84/720081984.db2.gz BNWTWCYKRZUHBS-WZONZLPQSA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3ccc(C(=O)OC)cc3n1)C2 ZINC001164815706 720082659 /nfs/dbraw/zinc/08/26/59/720082659.db2.gz ZERJTXFCXAYCAJ-AUSIDOKSSA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)c(OC)cc31)C2 ZINC001164814786 720085738 /nfs/dbraw/zinc/08/57/38/720085738.db2.gz WPZYZQBNTLWIFO-GAJHUEQPSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ncccc31)CC2 ZINC001164710662 720101302 /nfs/dbraw/zinc/10/13/02/720101302.db2.gz KOVHECHGTXSQBX-LJQANCHMSA-N 1 0 404.518 2.927 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(/C=C/C(=O)OC)cc3cc[nH]c31)C2 ZINC001164818157 720150830 /nfs/dbraw/zinc/15/08/30/720150830.db2.gz RXSYIPZLAXVODS-FKXJXIBSSA-N 1 0 424.545 2.934 20 0 HFADRO Cn1nnc2c1CCN(c1ccc3cc(F)ccc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719158 720178970 /nfs/dbraw/zinc/17/89/70/720178970.db2.gz SWCHQIKWOIDKFQ-FQEVSTJZSA-N 1 0 410.497 2.719 20 0 HFADRO Cn1nnc2c1CCN(c1cc3ccc(F)cc3cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717071 720199006 /nfs/dbraw/zinc/19/90/06/720199006.db2.gz RXAUDCAHJHGWFH-FQEVSTJZSA-N 1 0 410.497 2.719 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164812888 720201194 /nfs/dbraw/zinc/20/11/94/720201194.db2.gz MTEYCMPQSJRFQB-RDTXWAMCSA-N 1 0 416.900 2.868 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164815168 720201828 /nfs/dbraw/zinc/20/18/28/720201828.db2.gz WRMAGLFYJKPHGJ-RHSMWYFYSA-N 1 0 402.873 2.739 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(-c3ccccc3)ncn1)CCC2 ZINC001164812196 720234281 /nfs/dbraw/zinc/23/42/81/720234281.db2.gz CWJUCKOVDGXEHS-UHFFFAOYSA-N 1 0 404.518 2.951 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3cc[nH]c32)CC1 ZINC001164819816 720286345 /nfs/dbraw/zinc/28/63/45/720286345.db2.gz SHSDRCUYSKBMAF-HOTGVXAUSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)nc2)CC1 ZINC001164818909 720301911 /nfs/dbraw/zinc/30/19/11/720301911.db2.gz BNIQJLUYZUVOQQ-HOTGVXAUSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2CCCC3)CC1 ZINC001164826072 720303664 /nfs/dbraw/zinc/30/36/64/720303664.db2.gz VEIOCJZSKGXDKA-RTBURBONSA-N 1 0 417.985 2.920 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3cccnc32)CC1 ZINC001164821339 720304665 /nfs/dbraw/zinc/30/46/65/720304665.db2.gz KAQBZGLZLXMAJN-DLBZAZTESA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cl)c3c2CCCC3)CC1 ZINC001164821671 720314060 /nfs/dbraw/zinc/31/40/60/720314060.db2.gz LXCNROJBYZGNDG-RBUKOAKNSA-N 1 0 417.985 2.920 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(C3CC3)nc3[nH]ccc32)CC1 ZINC001164828366 720351425 /nfs/dbraw/zinc/35/14/25/720351425.db2.gz OLNOCBLDZMEBHM-MOPGFXCFSA-N 1 0 408.550 2.747 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc3c4c([nH]c32)CCC4)CC1 ZINC001164830221 720351620 /nfs/dbraw/zinc/35/16/20/720351620.db2.gz VOLQJJMXBGEZQH-RTWAWAEBSA-N 1 0 407.562 2.963 20 0 HFADRO COC(=O)c1c(Cl)cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1OC ZINC001164727052 720423799 /nfs/dbraw/zinc/42/37/99/720423799.db2.gz CXGAJRKAIXRWHI-HOTGVXAUSA-N 1 0 402.882 2.778 20 0 HFADRO CCOC(=O)c1sc2ncnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1C ZINC001164727621 720505518 /nfs/dbraw/zinc/50/55/18/720505518.db2.gz CKMHTEZYTIHWEP-CQSZACIVSA-N 1 0 414.535 2.571 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc(N(C)C)n3)CC[C@@H]21 ZINC001164836547 720507642 /nfs/dbraw/zinc/50/76/42/720507642.db2.gz NENPPVWCGVUGHP-IKGGRYGDSA-N 1 0 403.962 2.770 20 0 HFADRO COc1cnc(SC)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839462 720513303 /nfs/dbraw/zinc/51/33/03/720513303.db2.gz UUSPIDWHZWCDJR-BRWVUGGUSA-N 1 0 402.568 2.781 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)c(F)cc3C(N)=O)CC[C@@H]21 ZINC001164834750 720523316 /nfs/dbraw/zinc/52/33/16/720523316.db2.gz HLIABADHFZVABA-ZQIUZPCESA-N 1 0 420.920 2.547 20 0 HFADRO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839980 720524500 /nfs/dbraw/zinc/52/45/00/720524500.db2.gz VCHYUDMTEUQJRB-QWFCFKBJSA-N 1 0 412.538 2.536 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164837354 720538041 /nfs/dbraw/zinc/53/80/41/720538041.db2.gz LXMLYASQDYVPIX-WSTZPKSXSA-N 1 0 412.538 2.536 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733709 720549539 /nfs/dbraw/zinc/54/95/39/720549539.db2.gz PWPMOGKEMHHHTI-UHFFFAOYSA-N 1 0 403.914 2.767 20 0 HFADRO O=C(NC1CCCCC1)c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733091 720552835 /nfs/dbraw/zinc/55/28/35/720552835.db2.gz JLCNJAICFUYPDH-UHFFFAOYSA-N 1 0 422.577 2.999 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc-2n1 ZINC001164836680 720582654 /nfs/dbraw/zinc/58/26/54/720582654.db2.gz GJBABZWLXHWAKQ-BBTUJRGHSA-N 1 0 422.533 2.924 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc-2n1 ZINC001164836685 720584267 /nfs/dbraw/zinc/58/42/67/720584267.db2.gz GJBABZWLXHWAKQ-WAOWUJCRSA-N 1 0 422.533 2.924 20 0 HFADRO Fc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164738138 720630984 /nfs/dbraw/zinc/63/09/84/720630984.db2.gz AJKUNXLIIJFRLD-ZIAGYGMSSA-N 1 0 400.845 2.554 20 0 HFADRO C[C@H]1C(=O)Nc2ncnc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164843342 720696259 /nfs/dbraw/zinc/69/62/59/720696259.db2.gz OFQDNRDEOSAUOG-SJLPKXTDSA-N 1 0 407.518 2.792 20 0 HFADRO Clc1cccc(-c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)n1 ZINC001164739249 720698704 /nfs/dbraw/zinc/69/87/04/720698704.db2.gz MKVKIPGOSWDGLT-HOTGVXAUSA-N 1 0 408.893 2.929 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164839885 720703413 /nfs/dbraw/zinc/70/34/13/720703413.db2.gz OBJRRGBKEYQALA-FQEVSTJZSA-N 1 0 404.518 2.922 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(=O)NC3CC3)nn1)CC2 ZINC001164839894 720718515 /nfs/dbraw/zinc/71/85/15/720718515.db2.gz OEIIIFMRLSORHK-HXUWFJFHSA-N 1 0 421.545 2.629 20 0 HFADRO CON(C)C(=O)c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164838291 720719058 /nfs/dbraw/zinc/71/90/58/720719058.db2.gz HUBNLCQCALVUFI-NRFANRHFSA-N 1 0 424.545 2.975 20 0 HFADRO Clc1cccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164738693 720764545 /nfs/dbraw/zinc/76/45/45/720764545.db2.gz GWDHRONNXBAGIL-ROUUACIJSA-N 1 0 408.893 2.929 20 0 HFADRO Cc1ccc(C)c(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)c1 ZINC001164741143 720773521 /nfs/dbraw/zinc/77/35/21/720773521.db2.gz MJSXQVCMJXQPGQ-OALUTQOASA-N 1 0 402.502 2.892 20 0 HFADRO Fc1ccc(COc2cccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164740424 720777308 /nfs/dbraw/zinc/77/73/08/720777308.db2.gz LAVYIEBHFDFSSJ-WOJBJXKFSA-N 1 0 421.476 2.932 20 0 HFADRO CCN(c1ccccc1)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164744071 720791568 /nfs/dbraw/zinc/79/15/68/720791568.db2.gz HIKJGEZFPXKXDB-PMACEKPBSA-N 1 0 417.517 2.767 20 0 HFADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164751207 720800807 /nfs/dbraw/zinc/80/08/07/720800807.db2.gz XLOBUQXKEAQENY-CVEARBPZSA-N 1 0 402.930 2.769 20 0 HFADRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164745968 720808877 /nfs/dbraw/zinc/80/88/77/720808877.db2.gz LASKTHTUQCBCJA-KZNAEPCWSA-N 1 0 401.946 2.718 20 0 HFADRO Clc1nc2cc[nH]c2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744137 720808944 /nfs/dbraw/zinc/80/89/44/720808944.db2.gz HLCDQDTUKSZGQO-HLLBOEOZSA-N 1 0 412.929 2.582 20 0 HFADRO Clc1nc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742366 720809488 /nfs/dbraw/zinc/80/94/88/720809488.db2.gz CYALROXLJJMMGK-HLLBOEOZSA-N 1 0 412.929 2.582 20 0 HFADRO Clc1cc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164747753 720813567 /nfs/dbraw/zinc/81/35/67/720813567.db2.gz PHHKMSUZXOPRMH-IIAWOOMASA-N 1 0 408.337 2.754 20 0 HFADRO Clc1ncnc2[nH]cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21 ZINC001164745522 720815088 /nfs/dbraw/zinc/81/50/88/720815088.db2.gz KROJOIMNSWALLY-HRCADAONSA-N 1 0 412.929 2.534 20 0 HFADRO COc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164739748 720817862 /nfs/dbraw/zinc/81/78/62/720817862.db2.gz IHVDUJRMJYNUOW-JBYIUTFZSA-N 1 0 419.533 2.609 20 0 HFADRO Clc1nc2cnccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739850 720821195 /nfs/dbraw/zinc/82/11/95/720821195.db2.gz JBZIHSGSQYZXGL-JTDSTZFVSA-N 1 0 424.940 2.649 20 0 HFADRO Cc1nc(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164742780 720824587 /nfs/dbraw/zinc/82/45/87/720824587.db2.gz QWRZMLKHOWPCRP-KZNAEPCWSA-N 1 0 401.946 2.718 20 0 HFADRO Cc1cccc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164738762 720824709 /nfs/dbraw/zinc/82/47/09/720824709.db2.gz GGTDXCMYRRTPDY-IRFCIJBXSA-N 1 0 403.534 2.909 20 0 HFADRO Clc1nc2cccnc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743242 720827783 /nfs/dbraw/zinc/82/77/83/720827783.db2.gz RPNHBAVCJIABCJ-JFIYKMOQSA-N 1 0 424.940 2.649 20 0 HFADRO COc1cccc2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164739229 720830664 /nfs/dbraw/zinc/83/06/64/720830664.db2.gz HVVYTLQHMYMCDE-SLFFLAALSA-N 1 0 419.533 2.609 20 0 HFADRO Fc1ccc2cnnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164751898 720832151 /nfs/dbraw/zinc/83/21/51/720832151.db2.gz ZMJMBDZLGBXYGD-HFSMHLIXSA-N 1 0 407.497 2.740 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC[C@H]2C1 ZINC001164849796 720837235 /nfs/dbraw/zinc/83/72/35/720837235.db2.gz DEPZTJUEYRSYEZ-NWDGAFQWSA-N 1 0 411.280 2.502 20 0 HFADRO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164747697 720838378 /nfs/dbraw/zinc/83/83/78/720838378.db2.gz RJDCLHIPYRLFBZ-JTDSTZFVSA-N 1 0 402.930 2.715 20 0 HFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748375 720840637 /nfs/dbraw/zinc/84/06/37/720840637.db2.gz UNOTVBRXVDZXGZ-SLFFLAALSA-N 1 0 424.549 2.538 20 0 HFADRO c1coc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164751128 720851476 /nfs/dbraw/zinc/85/14/76/720851476.db2.gz QGEYEIJNTXMTHY-CMKODMSKSA-N 1 0 405.506 2.708 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]2C1 ZINC001164852744 720853362 /nfs/dbraw/zinc/85/33/62/720853362.db2.gz FPKFRLDTBULVSM-SOLBZPMBSA-N 1 0 416.591 2.990 20 0 HFADRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164754818 720868271 /nfs/dbraw/zinc/86/82/71/720868271.db2.gz SPUJCJXCZHNIRC-OFNKIYASSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@@H]2C1 ZINC001164863743 720875051 /nfs/dbraw/zinc/87/50/51/720875051.db2.gz UBUXDNQAWMXPSG-GCJKJVERSA-N 1 0 419.529 2.865 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4cccc(Cl)c4)nn3)CC[C@@H]2C1 ZINC001164859266 720876247 /nfs/dbraw/zinc/87/62/47/720876247.db2.gz MGLHYTZXRBAESK-YLJYHZDGSA-N 1 0 402.926 2.971 20 0 HFADRO COCc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755948 720886840 /nfs/dbraw/zinc/88/68/40/720886840.db2.gz NQIJYVMVALEGNW-URXFXBBRSA-N 1 0 423.561 2.773 20 0 HFADRO COCc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755950 720887089 /nfs/dbraw/zinc/88/70/89/720887089.db2.gz NQIJYVMVALEGNW-ZJSXRUAMSA-N 1 0 423.561 2.773 20 0 HFADRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)n1 ZINC001164757891 720887693 /nfs/dbraw/zinc/88/76/93/720887693.db2.gz WFCAQVXUCARTGD-QPPBQGQZSA-N 1 0 423.561 2.944 20 0 HFADRO COc1nc(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755386 720889811 /nfs/dbraw/zinc/88/98/11/720889811.db2.gz LSMHMVRMBXXALB-ZJSXRUAMSA-N 1 0 423.561 2.944 20 0 HFADRO CCc1ccc(-c2ccc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nn2)cc1 ZINC001164754134 720964948 /nfs/dbraw/zinc/96/49/48/720964948.db2.gz MOPMDHORPUQDOB-UHFFFAOYSA-N 1 0 420.517 2.548 20 0 HFADRO CON(C)C(=O)c1cc(C)cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863584 720991505 /nfs/dbraw/zinc/99/15/05/720991505.db2.gz WVVLZHKACFACAV-MRXNPFEDSA-N 1 0 400.527 2.641 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(Cn3ccccc3=O)cn1)[C@@H]2C ZINC001164861915 721007221 /nfs/dbraw/zinc/00/72/21/721007221.db2.gz RBFYXCUESQTYOQ-GOSISDBHSA-N 1 0 406.534 2.910 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(=O)NC3CCCC3)nn1)[C@H]2C ZINC001164861061 721009987 /nfs/dbraw/zinc/00/99/87/721009987.db2.gz NMJWZSAOZLABSJ-INIZCTEOSA-N 1 0 411.554 2.767 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CSC2 ZINC001164866243 721069468 /nfs/dbraw/zinc/06/94/68/721069468.db2.gz DALFYFWIGOTQKY-HUUCEWRRSA-N 1 0 403.939 2.752 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@H]3C2)cn1 ZINC001164763699 721087647 /nfs/dbraw/zinc/08/76/47/721087647.db2.gz GRIWMYBOSWYPJO-LSDHHAIUSA-N 1 0 404.971 2.611 20 0 HFADRO CC(C)(C)OC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865647 721088056 /nfs/dbraw/zinc/08/80/56/721088056.db2.gz NWDOVYSWAKSQNM-UXHICEINSA-N 1 0 410.518 2.912 20 0 HFADRO COc1ccc2nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164770955 721111937 /nfs/dbraw/zinc/11/19/37/721111937.db2.gz RQCRQLNOLUEIEB-HZPDHXFCSA-N 1 0 412.925 2.984 20 0 HFADRO Fc1ncccc1-c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864368 721115532 /nfs/dbraw/zinc/11/55/32/721115532.db2.gz FPBRMEXUAIUDOF-QZTJIDSGSA-N 1 0 406.465 2.552 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164767333 721129953 /nfs/dbraw/zinc/12/99/53/721129953.db2.gz MUGBWITZOWFZDB-SFTDATJTSA-N 1 0 404.518 2.747 20 0 HFADRO CCOC(=O)c1cnc2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)[nH]cc1-2 ZINC001164881197 721134256 /nfs/dbraw/zinc/13/42/56/721134256.db2.gz ZRHPQBHNGZBFIN-ROUUACIJSA-N 1 0 421.501 2.614 20 0 HFADRO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164768971 721137794 /nfs/dbraw/zinc/13/77/94/721137794.db2.gz OOTFLMHHBBHPPL-CVEARBPZSA-N 1 0 412.925 2.984 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)s1 ZINC001164762669 721146398 /nfs/dbraw/zinc/14/63/98/721146398.db2.gz DDXRAIGMXNHKLW-KGLIPLIRSA-N 1 0 403.943 2.740 20 0 HFADRO COc1ccc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1 ZINC001164761998 721195785 /nfs/dbraw/zinc/19/57/85/721195785.db2.gz BQMJJUMUGOMARE-PMACEKPBSA-N 1 0 404.518 2.844 20 0 HFADRO COc1ccccc1-c1ccnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164761436 721210502 /nfs/dbraw/zinc/21/05/02/721210502.db2.gz BAHPIWODYGENPC-MOPGFXCFSA-N 1 0 404.518 2.844 20 0 HFADRO COc1ccccc1-c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ncn1 ZINC001164762632 721210767 /nfs/dbraw/zinc/21/07/67/721210767.db2.gz DBTCDFITVPVJRV-OALUTQOASA-N 1 0 404.518 2.844 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@@H]3C2)cn1 ZINC001164770822 721212047 /nfs/dbraw/zinc/21/20/47/721212047.db2.gz ORRSYWAZJRXSEC-KGLIPLIRSA-N 1 0 421.883 2.848 20 0 HFADRO COC(=O)c1cccc2nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc21 ZINC001164770812 721224399 /nfs/dbraw/zinc/22/43/99/721224399.db2.gz OOHHQIMOEYBMBA-QZTJIDSGSA-N 1 0 405.502 2.713 20 0 HFADRO Cc1cccc(N(c2ccc(CN3CCOCC3)cn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778033 721329041 /nfs/dbraw/zinc/32/90/41/721329041.db2.gz TUFFJUWPTMQRTR-LADGPHEKSA-N 1 0 408.546 2.881 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cnccc43)C2)C1 ZINC001164779727 721339156 /nfs/dbraw/zinc/33/91/56/721339156.db2.gz UZQXSSZNYHUPIW-JOCHJYFZSA-N 1 0 408.506 2.749 20 0 HFADRO Cc1cc2c(ncnc2N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)s1 ZINC001164885001 721380316 /nfs/dbraw/zinc/38/03/16/721380316.db2.gz BLVPXYPUWIPFJH-DYESRHJHSA-N 1 0 401.580 2.765 20 0 HFADRO Cc1nc2ccsc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889273 721380360 /nfs/dbraw/zinc/38/03/60/721380360.db2.gz LLIUQXRESJKKRE-DYESRHJHSA-N 1 0 401.580 2.765 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ccoc54)C3)O2)CC1 ZINC001164894491 721389440 /nfs/dbraw/zinc/38/94/40/721389440.db2.gz YJMUFRRMWJRDDK-YWZLYKJASA-N 1 0 405.930 2.642 20 0 HFADRO Cc1nc2ccc(F)cc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892896 721397534 /nfs/dbraw/zinc/39/75/34/721397534.db2.gz UIHRAMXPORDVIZ-CVDCTZTESA-N 1 0 413.541 2.843 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4SCC5)C3)O2)CC1 ZINC001164892442 721402148 /nfs/dbraw/zinc/40/21/48/721402148.db2.gz YGRFTWOQRRYNEC-MGPUTAFESA-N 1 0 424.014 2.544 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@H](F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164883904 721411714 /nfs/dbraw/zinc/41/17/14/721411714.db2.gz CLLCQBKQQKFCMI-YSIASYRMSA-N 1 0 412.937 2.628 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5cccs5)nn4)C3)O2)CC1 ZINC001164887716 721421483 /nfs/dbraw/zinc/42/14/83/721421483.db2.gz MNXFANAGUFPIFL-PGRDOPGGSA-N 1 0 413.591 2.971 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895781 721430647 /nfs/dbraw/zinc/43/06/47/721430647.db2.gz PLILZNPFQGAQJK-DNVCBOLYSA-N 1 0 412.003 2.617 20 0 HFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896115 721432352 /nfs/dbraw/zinc/43/23/52/721432352.db2.gz QNGVIJNYBBHLAT-ZJSXRUAMSA-N 1 0 422.577 2.612 20 0 HFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164898408 721439108 /nfs/dbraw/zinc/43/91/08/721439108.db2.gz VYOAQPOURFOFJD-AUSIDOKSSA-N 1 0 401.599 2.848 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc5c6c([nH]c54)CCC6)C3)O2)CC1 ZINC001164887833 721447725 /nfs/dbraw/zinc/44/77/25/721447725.db2.gz KJPTXFSDIDOXTN-HOYKHHGWSA-N 1 0 409.578 2.817 20 0 HFADRO CSc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(SC)n1 ZINC001164892032 721451181 /nfs/dbraw/zinc/45/11/81/721451181.db2.gz VWCCHPFGYFLEDH-OXQOHEQNSA-N 1 0 423.652 2.686 20 0 HFADRO CSc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(SC)n1 ZINC001164892031 721451290 /nfs/dbraw/zinc/45/12/90/721451290.db2.gz VWCCHPFGYFLEDH-OXJNMPFZSA-N 1 0 423.652 2.686 20 0 HFADRO CCOc1cnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nc1 ZINC001164788651 721455671 /nfs/dbraw/zinc/45/56/71/721455671.db2.gz SAUAWGJEOGXUPJ-LJQANCHMSA-N 1 0 404.555 2.609 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc3ccccc3n1)CC2 ZINC001164787170 721468368 /nfs/dbraw/zinc/46/83/68/721468368.db2.gz CWPRYGMFMRFIEZ-LJQANCHMSA-N 1 0 411.550 2.759 20 0 HFADRO C[N@H+](Cc1ccc(N2CCCn3nnc(CNc4cccnc4)c3C2)nc1)C1CC1 ZINC001164788780 721474958 /nfs/dbraw/zinc/47/49/58/721474958.db2.gz KPTFCJMKSGDROT-UHFFFAOYSA-N 1 0 404.522 2.685 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)nc1 ZINC001164894320 721484698 /nfs/dbraw/zinc/48/46/98/721484698.db2.gz HHBOKVJNVTZUDA-PQNGQFLHSA-N 1 0 412.578 2.998 20 0 HFADRO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164896552 721501596 /nfs/dbraw/zinc/50/15/96/721501596.db2.gz IJCRLLRAGMOMIA-FQEVSTJZSA-N 1 0 400.567 2.825 20 0 HFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164896360 721517129 /nfs/dbraw/zinc/51/71/29/721517129.db2.gz BDWIYPYTXSBEOX-MJGOQNOKSA-N 1 0 422.460 2.897 20 0 HFADRO COC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899674 721517773 /nfs/dbraw/zinc/51/77/73/721517773.db2.gz LOZYZHJQHJHCRF-MJGOQNOKSA-N 1 0 422.460 2.897 20 0 HFADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)ncc21 ZINC001164900681 721524613 /nfs/dbraw/zinc/52/46/13/721524613.db2.gz SYOQONIEYZQGEO-AEFFLSMTSA-N 1 0 422.460 2.897 20 0 HFADRO COC(=O)c1cc(F)c(C)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909731 721533719 /nfs/dbraw/zinc/53/37/19/721533719.db2.gz RRZAGRBUQHEWNI-NVXWUHKLSA-N 1 0 403.429 2.797 20 0 HFADRO COc1cccc2c1ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164806168 721537955 /nfs/dbraw/zinc/53/79/55/721537955.db2.gz OFTAMZNJFOGMCT-XQBPLPMBSA-N 1 0 405.502 2.902 20 0 HFADRO CNC(=O)c1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164903428 721542123 /nfs/dbraw/zinc/54/21/23/721542123.db2.gz CLTCZQUAEIVYRA-HOCLYGCPSA-N 1 0 404.873 2.576 20 0 HFADRO CON(C)C(=O)c1cc(C)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907620 721547705 /nfs/dbraw/zinc/54/77/05/721547705.db2.gz NQLFZHQWEFDRPA-IEBWSBKVSA-N 1 0 414.481 2.504 20 0 HFADRO O=c1ccccn1Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164911297 721556108 /nfs/dbraw/zinc/55/61/08/721556108.db2.gz YSSCFUNVBRUZTM-RBBKRZOGSA-N 1 0 420.488 2.773 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164802940 721575380 /nfs/dbraw/zinc/57/53/80/721575380.db2.gz IVCFXYATLQDHJG-VWPQPMDRSA-N 1 0 408.550 2.730 20 0 HFADRO Cc1noc(-c2ccnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2)n1 ZINC001164809545 721580939 /nfs/dbraw/zinc/58/09/39/721580939.db2.gz TVFTWCMSSCKVEQ-DYXWJJEUSA-N 1 0 406.490 2.703 20 0 HFADRO COc1ccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c(Cl)nc2c1 ZINC001165011140 721735519 /nfs/dbraw/zinc/73/55/19/721735519.db2.gz MZOQUFQQKNLQJY-UHFFFAOYSA-N 1 0 417.941 2.815 20 0 HFADRO CSc1nc2c(c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n1)CCCC2 ZINC001165011132 721736516 /nfs/dbraw/zinc/73/65/16/721736516.db2.gz MPVHTMGNFZTBAY-UHFFFAOYSA-N 1 0 403.596 2.600 20 0 HFADRO COc1cc2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc2cc1OC ZINC001165011518 721739827 /nfs/dbraw/zinc/73/98/27/721739827.db2.gz YJTKSQVRXXWLFB-UHFFFAOYSA-N 1 0 412.534 2.775 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(-c3nc(C4CC4)no3)ccn2)CC1 ZINC001165012492 721748672 /nfs/dbraw/zinc/74/86/72/721748672.db2.gz JOZSBDLZHSVIHK-UHFFFAOYSA-N 1 0 410.522 2.532 20 0 HFADRO O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2c1cccc(OCC[NH+]2CCCC2)n1 ZINC001165015045 721771725 /nfs/dbraw/zinc/77/17/25/721771725.db2.gz HNUPZQGOCKFOSF-OALUTQOASA-N 1 0 410.518 2.890 20 0 HFADRO C[N@H+](Cc1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@H]32)nc1)C1CC1 ZINC001165022500 721782110 /nfs/dbraw/zinc/78/21/10/721782110.db2.gz RQCJSAUWLKHLTE-XPNTWCBSSA-N 1 0 411.550 2.715 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(-n4ccccc4=O)n3)C[C@@H]21 ZINC001165021311 721825819 /nfs/dbraw/zinc/82/58/19/721825819.db2.gz DUGIIXSZOZBWHI-SESVDKBCSA-N 1 0 416.529 2.759 20 0 HFADRO COc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(OC)n1 ZINC001165020504 721839312 /nfs/dbraw/zinc/83/93/12/721839312.db2.gz JWVBUDFUXAMXSY-UHFFFAOYSA-N 1 0 402.495 2.612 20 0 HFADRO c1ccc(COC[C@@]23COC[C@@H]2CN(c2cccc(OCC[NH+]4CCCC4)n2)C3)nc1 ZINC001164928178 721839493 /nfs/dbraw/zinc/83/94/93/721839493.db2.gz XCEPIPPREJCDIC-GBXCKJPGSA-N 1 0 424.545 2.621 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3c(n2)OCC(=O)N3)CC1 ZINC001165022226 721840684 /nfs/dbraw/zinc/84/06/84/721840684.db2.gz QKSXAXWBHQTICA-UHFFFAOYSA-N 1 0 412.490 2.531 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1Cl ZINC001164926725 721855250 /nfs/dbraw/zinc/85/52/50/721855250.db2.gz JAUPOHYYQMYVBL-KBPBESRZSA-N 1 0 401.338 2.780 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925707 721855357 /nfs/dbraw/zinc/85/53/57/721855357.db2.gz FQKWBKYAHLJGHN-UWVGGRQHSA-N 1 0 416.744 2.595 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933301 721883213 /nfs/dbraw/zinc/88/32/13/721883213.db2.gz LOFBZLMMYJUJAT-WOJBJXKFSA-N 1 0 409.534 2.520 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164933623 721887579 /nfs/dbraw/zinc/88/75/79/721887579.db2.gz NLIWMLJFIMGWFU-GJZGRUSLSA-N 1 0 417.888 2.587 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164935463 721889299 /nfs/dbraw/zinc/88/92/99/721889299.db2.gz WUKCMJUFDUYFAY-HUUCEWRRSA-N 1 0 417.888 2.587 20 0 HFADRO CCOC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nn1 ZINC001164939302 721922950 /nfs/dbraw/zinc/92/29/50/721922950.db2.gz HHOSBHVTLPWNMT-UHFFFAOYSA-N 1 0 410.518 2.833 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(=O)NC5CC5)nn4)CC3)C2)cc1 ZINC001164939405 721932152 /nfs/dbraw/zinc/93/21/52/721932152.db2.gz KIOFMMXIQJBQMP-UHFFFAOYSA-N 1 0 421.545 2.549 20 0 HFADRO COCCn1ccc2c1ncnc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952020 722018402 /nfs/dbraw/zinc/01/84/02/722018402.db2.gz GAMZPTATMASLMB-UHFFFAOYSA-N 1 0 406.534 2.965 20 0 HFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4cncc(N5CCCCC5)n4)CC3)C2)ccn1 ZINC001164963299 722058266 /nfs/dbraw/zinc/05/82/66/722058266.db2.gz WBDAWXXRGQCQAK-UHFFFAOYSA-N 1 0 422.577 2.981 20 0 HFADRO CC(C)n1cnc2cnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc21 ZINC001164960035 722059670 /nfs/dbraw/zinc/05/96/70/722059670.db2.gz DXKRMSXWOOXUJV-UHFFFAOYSA-N 1 0 421.549 2.921 20 0 HFADRO F[C@H](Oc1ccc(Cl)nn1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164965836 722062553 /nfs/dbraw/zinc/06/25/53/722062553.db2.gz LVSZVHJQVIRZCJ-IBGZPJMESA-N 1 0 421.904 2.772 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C(=O)N(c4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164982938 722095982 /nfs/dbraw/zinc/09/59/82/722095982.db2.gz SHCGLOWWMNYQMP-SESVDKBCSA-N 1 0 408.550 2.851 20 0 HFADRO FC(F)(c1cc(Cl)ncn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978229 722098942 /nfs/dbraw/zinc/09/89/42/722098942.db2.gz GGPDFVPBPVEUQB-JKSUJKDBSA-N 1 0 409.868 2.797 20 0 HFADRO COC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164983991 722102414 /nfs/dbraw/zinc/10/24/14/722102414.db2.gz RLEWALPZTFCVOP-LPHOPBHVSA-N 1 0 416.909 2.644 20 0 HFADRO FC(F)(c1cnc(Cl)cn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976325 722102998 /nfs/dbraw/zinc/10/29/98/722102998.db2.gz CPKRZQWLSNUEGJ-HOTGVXAUSA-N 1 0 409.868 2.797 20 0 HFADRO Clc1nc2ncccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984699 722104702 /nfs/dbraw/zinc/10/47/02/722104702.db2.gz TZNCDAWGXOVPMB-FUHWJXTLSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1nc2cnccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979262 722109274 /nfs/dbraw/zinc/10/92/74/722109274.db2.gz PRFXMGAIRQYLNR-APWZRJJASA-N 1 0 410.909 2.801 20 0 HFADRO COc1ccc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164972595 722109349 /nfs/dbraw/zinc/10/93/49/722109349.db2.gz GCWHCONYJIONGY-UGKGYDQZSA-N 1 0 405.502 2.761 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164975071 722117362 /nfs/dbraw/zinc/11/73/62/722117362.db2.gz JFYQNOILPPWTML-RBUKOAKNSA-N 1 0 424.549 2.584 20 0 HFADRO COc1nc(Cl)nc(C)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975788 722118585 /nfs/dbraw/zinc/11/85/85/722118585.db2.gz KYMMBIFXFWDEII-IAGOWNOFSA-N 1 0 403.914 2.569 20 0 HFADRO c1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)nc1 ZINC001164983884 722147859 /nfs/dbraw/zinc/14/78/59/722147859.db2.gz VYKTVTDETINTRT-UGKGYDQZSA-N 1 0 402.502 2.661 20 0 HFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(C[NH+](C)C)ccn4)CC[C@@H]32)cs1 ZINC001164986511 722185886 /nfs/dbraw/zinc/18/58/86/722185886.db2.gz FQEWBRUCPMNBRJ-PMACEKPBSA-N 1 0 401.580 2.778 20 0 HFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(C[NH+](C)C)ccn4)CC[C@H]32)cs1 ZINC001164986516 722185906 /nfs/dbraw/zinc/18/59/06/722185906.db2.gz FQEWBRUCPMNBRJ-UXHICEINSA-N 1 0 401.580 2.778 20 0 HFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(-n5ccnc5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164990179 722185985 /nfs/dbraw/zinc/18/59/85/722185985.db2.gz QZIMTFMAARCLNY-PMACEKPBSA-N 1 0 410.547 2.902 20 0 HFADRO CCc1c(Cl)nnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1CC ZINC001165002895 722253666 /nfs/dbraw/zinc/25/36/66/722253666.db2.gz WOIKFIDXDIOPTO-UHFFFAOYSA-N 1 0 406.962 2.940 20 0 HFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000772754645 1078044063 /nfs/dbraw/zinc/04/40/63/1078044063.db2.gz BAPJJXYNEIVEKT-GOSISDBHSA-N 1 0 409.958 2.506 20 0 HFADRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(F)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000793014285 1078048921 /nfs/dbraw/zinc/04/89/21/1078048921.db2.gz MKTXJXQWXPFQOU-PXAZEXFGSA-N 1 0 408.836 2.761 20 0 HFADRO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccc(Cl)cc5)S4(=O)=O)(C2)O3)C1 ZINC001170139444 1078051738 /nfs/dbraw/zinc/05/17/38/1078051738.db2.gz VAMRXPFWHMENFW-UYYRZJCPSA-N 1 0 410.967 2.886 20 0 HFADRO O[C@H](C[NH2+]Cc1cccc(I)c1)COc1cccc(F)c1 ZINC000790530044 1078051797 /nfs/dbraw/zinc/05/17/97/1078051797.db2.gz HBWRZKJNQYSIFZ-OAHLLOKOSA-N 1 0 401.219 2.960 20 0 HFADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C(F)(F)F ZINC000793042615 1078054310 /nfs/dbraw/zinc/05/43/10/1078054310.db2.gz HBPSAPDEYNPTQI-MRXNPFEDSA-N 1 0 414.819 2.584 20 0 HFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790553827 1078054692 /nfs/dbraw/zinc/05/46/92/1078054692.db2.gz MACJLWMDQJRYKO-UHFFFAOYSA-N 1 0 408.955 2.631 20 0 HFADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)Nc2cccc(Br)n2)cc1 ZINC000793046334 1078055417 /nfs/dbraw/zinc/05/54/17/1078055417.db2.gz ICMXQHVQGBAWLW-UHFFFAOYSA-N 1 0 421.295 2.752 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000793049993 1078056882 /nfs/dbraw/zinc/05/68/82/1078056882.db2.gz CIDXBOUMSDVWAB-JYWFKMLOSA-N 1 0 424.545 2.957 20 0 HFADRO CCOC(=O)c1cc(NC(=O)C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c(F)cc1C ZINC000793068953 1078062224 /nfs/dbraw/zinc/06/22/24/1078062224.db2.gz QAMYPJQWQXHUKK-UHFFFAOYSA-N 1 0 419.497 2.584 20 0 HFADRO O=C1c2cc(Br)ccc2N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772827637 1078062432 /nfs/dbraw/zinc/06/24/32/1078062432.db2.gz JKTXPSLJQFLUDZ-CXAGYDPISA-N 1 0 418.335 2.885 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCSC1 ZINC000793079460 1078063631 /nfs/dbraw/zinc/06/36/31/1078063631.db2.gz XVOBONNNBWKINO-LEWJYISDSA-N 1 0 420.579 2.524 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001170425453 1078068402 /nfs/dbraw/zinc/06/84/02/1078068402.db2.gz PKIGYLDQFJBYJV-FQEVSTJZSA-N 1 0 409.530 2.846 20 0 HFADRO Cc1cc(NC(=O)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1N(C)C ZINC000793097677 1078074931 /nfs/dbraw/zinc/07/49/31/1078074931.db2.gz SDQIDQRFNAVPJA-UHFFFAOYSA-N 1 0 424.545 2.789 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3ccccc3-n3cncn3)cc2)C1=O ZINC000790610928 1078075008 /nfs/dbraw/zinc/07/50/08/1078075008.db2.gz PBDKSWQRZXJHES-QHCPKHFHSA-N 1 0 416.485 2.782 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)CCc2cccc(Br)c2)CC1 ZINC000746939368 1078091050 /nfs/dbraw/zinc/09/10/50/1078091050.db2.gz NSLPOEXAHDSULO-UHFFFAOYSA-N 1 0 411.340 2.914 20 0 HFADRO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)C2=O)cc1 ZINC000790698445 1078099015 /nfs/dbraw/zinc/09/90/15/1078099015.db2.gz RPSJZAVMHFFPRM-JOCHJYFZSA-N 1 0 408.546 2.999 20 0 HFADRO CN(CCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)C(=O)OC(C)(C)C ZINC000790707657 1078102540 /nfs/dbraw/zinc/10/25/40/1078102540.db2.gz BTUYJGMCGKSSAO-UHFFFAOYSA-N 1 0 420.554 2.826 20 0 HFADRO C[C@@]1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793207019 1078106506 /nfs/dbraw/zinc/10/65/06/1078106506.db2.gz LUGDWSIKFKATBU-HSZRJFAPSA-N 1 0 414.550 2.961 20 0 HFADRO CC(C)(C)OC(=O)N1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000793264573 1078113410 /nfs/dbraw/zinc/11/34/10/1078113410.db2.gz BPTVICVOICSJPG-HNNXBMFYSA-N 1 0 412.328 2.965 20 0 HFADRO COCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793289809 1078118805 /nfs/dbraw/zinc/11/88/05/1078118805.db2.gz TUQFENRVARXVCV-UHFFFAOYSA-N 1 0 412.925 2.962 20 0 HFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790747449 1078123539 /nfs/dbraw/zinc/12/35/39/1078123539.db2.gz OIXQKNNMIOFCCK-CXAGYDPISA-N 1 0 404.873 2.982 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000790782673 1078133277 /nfs/dbraw/zinc/13/32/77/1078133277.db2.gz PMMVKUGUMDEHIY-QAETUUGQSA-N 1 0 400.539 2.848 20 0 HFADRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790800998 1078139098 /nfs/dbraw/zinc/13/90/98/1078139098.db2.gz SIXMPUYMLVCROI-CTNGQTDRSA-N 1 0 416.485 2.857 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000793379155 1078154095 /nfs/dbraw/zinc/15/40/95/1078154095.db2.gz FENFOPPLQDXCHF-YPIGPJMWSA-N 1 0 409.530 2.733 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3COCCN3C3CCCC3)cc2F)CC1 ZINC000793402059 1078168016 /nfs/dbraw/zinc/16/80/16/1078168016.db2.gz HTQIYOZKCWTDHY-JOCHJYFZSA-N 1 0 418.557 2.938 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cs1 ZINC000793465730 1078181342 /nfs/dbraw/zinc/18/13/42/1078181342.db2.gz VLJPTKUWLYAQGI-HNNXBMFYSA-N 1 0 408.568 2.911 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2)CC1 ZINC000793488838 1078191138 /nfs/dbraw/zinc/19/11/38/1078191138.db2.gz QYEWZLXJYUXNGP-UHFFFAOYSA-N 1 0 420.513 2.959 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000793483427 1078189679 /nfs/dbraw/zinc/18/96/79/1078189679.db2.gz MQFZBFYBQQDOFA-CQSZACIVSA-N 1 0 418.579 2.936 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)NCc3ncnn3CC)cc2Cl)CC1 ZINC000793458333 1078192966 /nfs/dbraw/zinc/19/29/66/1078192966.db2.gz PUZNIIFQEAAUKI-UHFFFAOYSA-N 1 0 405.934 2.805 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000793459716 1078193018 /nfs/dbraw/zinc/19/30/18/1078193018.db2.gz QTFOVYOKSYXTJB-NJDAHSKKSA-N 1 0 422.529 2.665 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000793511893 1078195336 /nfs/dbraw/zinc/19/53/36/1078195336.db2.gz HAIHLCHRERMEBT-SFHVURJKSA-N 1 0 402.539 2.808 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000793492653 1078200992 /nfs/dbraw/zinc/20/09/92/1078200992.db2.gz DZKBHUZIGHSEEQ-UHFFFAOYSA-N 1 0 406.568 2.793 20 0 HFADRO CCN1CC[NH+](CCCCNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000793493645 1078201585 /nfs/dbraw/zinc/20/15/85/1078201585.db2.gz PCDCLVLDAUDXLV-OALUTQOASA-N 1 0 410.603 2.556 20 0 HFADRO C[C@@H](CNC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000793494692 1078201985 /nfs/dbraw/zinc/20/19/85/1078201985.db2.gz WSQLKIIRWWYLHL-KRWDZBQOSA-N 1 0 416.566 2.740 20 0 HFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793495699 1078202313 /nfs/dbraw/zinc/20/23/13/1078202313.db2.gz CPSAIYJKWQPJAK-MRXNPFEDSA-N 1 0 421.339 2.778 20 0 HFADRO C[NH+](C)CCOC1CCN(C(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000793496934 1078202563 /nfs/dbraw/zinc/20/25/63/1078202563.db2.gz QMZZNUFLQTVTKE-QHCPKHFHSA-N 1 0 417.550 2.604 20 0 HFADRO COC(=O)c1cn(CC[NH2+][C@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)nn1 ZINC000793569897 1078208093 /nfs/dbraw/zinc/20/80/93/1078208093.db2.gz QWBMMYFHHZEJSE-HZPDHXFCSA-N 1 0 409.531 2.613 20 0 HFADRO CC(C)C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[NH+](C)C ZINC000793499017 1078203330 /nfs/dbraw/zinc/20/33/30/1078203330.db2.gz ROWLZMSUJHPTIH-AQNXPRMDSA-N 1 0 412.534 2.671 20 0 HFADRO C[C@H]([N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(C)(C)O ZINC001170434648 1078207846 /nfs/dbraw/zinc/20/78/46/1078207846.db2.gz KHZWZGCOQFMBGX-ZDUSSCGKSA-N 1 0 403.445 2.572 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cs1 ZINC000793551630 1078208529 /nfs/dbraw/zinc/20/85/29/1078208529.db2.gz YRQZCVWRDJTVCU-OAHLLOKOSA-N 1 0 408.568 2.768 20 0 HFADRO COC[C@H]([NH2+]CC1(COC)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 ZINC000793565674 1078211476 /nfs/dbraw/zinc/21/14/76/1078211476.db2.gz QZQPVQCXIWCAHW-SFHVURJKSA-N 1 0 400.560 2.681 20 0 HFADRO COCC1(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793578237 1078213254 /nfs/dbraw/zinc/21/32/54/1078213254.db2.gz WWMZOTBCQQFHQO-SFHVURJKSA-N 1 0 411.587 2.983 20 0 HFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793581637 1078214492 /nfs/dbraw/zinc/21/44/92/1078214492.db2.gz OKHNUFZOEPBMOI-SFHVURJKSA-N 1 0 411.587 2.840 20 0 HFADRO COC(=O)CC[N@H+](Cc1ccc(C(=O)OC)cc1Br)C1CCOCC1 ZINC000793586831 1078215694 /nfs/dbraw/zinc/21/56/94/1078215694.db2.gz FUBONKWULIXBHV-UHFFFAOYSA-N 1 0 414.296 2.780 20 0 HFADRO COCCN(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cn1 ZINC000793605948 1078223180 /nfs/dbraw/zinc/22/31/80/1078223180.db2.gz SPXLCCUIXBFYLG-QFIPXVFZSA-N 1 0 404.555 2.997 20 0 HFADRO CN(CCC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)C(=O)OCc1ccccc1 ZINC000793651860 1078226218 /nfs/dbraw/zinc/22/62/18/1078226218.db2.gz OHPRWLRWGMSCDF-NRFANRHFSA-N 1 0 417.550 2.749 20 0 HFADRO CC[N@H+](CCC1CCN(C(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC1)CC(C)C ZINC000793629552 1078233516 /nfs/dbraw/zinc/23/35/16/1078233516.db2.gz IPZCUIOHORKNNW-IBGZPJMESA-N 1 0 417.594 2.963 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000793648271 1078240989 /nfs/dbraw/zinc/24/09/89/1078240989.db2.gz FYPUZFOJBCTAIZ-FGSXEWAUSA-N 1 0 409.530 2.525 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000793639120 1078237631 /nfs/dbraw/zinc/23/76/31/1078237631.db2.gz INXWQSMFJKZJBG-ZWKOTPCHSA-N 1 0 409.530 2.698 20 0 HFADRO O=C(NCc1ccn(-c2ccccc2)n1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000793661503 1078243691 /nfs/dbraw/zinc/24/36/91/1078243691.db2.gz DBMONRGKNQQENL-UHFFFAOYSA-N 1 0 423.561 2.603 20 0 HFADRO CCC(CC)[C@H](CNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)[NH+]1CCCC1 ZINC000793663399 1078243990 /nfs/dbraw/zinc/24/39/90/1078243990.db2.gz WLOMSVQUZSVBIP-NRFANRHFSA-N 1 0 411.550 2.505 20 0 HFADRO CC(=O)N1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)Oc2ccccc21 ZINC000747137195 1078247919 /nfs/dbraw/zinc/24/79/19/1078247919.db2.gz LNCZUVIMDVOKHS-NRFANRHFSA-N 1 0 411.527 2.988 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCN1C(=O)OC(C)(C)C ZINC000793686198 1078255658 /nfs/dbraw/zinc/25/56/58/1078255658.db2.gz ICXRRKWPMHSDMO-XEYPJELSSA-N 1 0 423.598 2.906 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793685815 1078255991 /nfs/dbraw/zinc/25/59/91/1078255991.db2.gz CZVLFNNIPFBBET-BVOGOJNSSA-N 1 0 422.529 2.521 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000793687909 1078256838 /nfs/dbraw/zinc/25/68/38/1078256838.db2.gz ROWQPYDJEXKGPV-FAKFISEUSA-N 1 0 423.557 2.843 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793687632 1078256917 /nfs/dbraw/zinc/25/69/17/1078256917.db2.gz PIRBIPGAEURXMC-GOEBONIOSA-N 1 0 408.568 2.767 20 0 HFADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000793709684 1078260256 /nfs/dbraw/zinc/26/02/56/1078260256.db2.gz PEWRLZXZRIFLHP-GIVPXCGWSA-N 1 0 401.551 2.570 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000793713825 1078261786 /nfs/dbraw/zinc/26/17/86/1078261786.db2.gz PKVFBSRKLBCRSK-HNNXBMFYSA-N 1 0 424.383 2.834 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCC(C)(C)c1cccc(Br)c1)[NH+]1CCCCC1 ZINC000793713826 1078261807 /nfs/dbraw/zinc/26/18/07/1078261807.db2.gz PKVFBSRKLBCRSK-OAHLLOKOSA-N 1 0 424.383 2.834 20 0 HFADRO Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000793713951 1078261817 /nfs/dbraw/zinc/26/18/17/1078261817.db2.gz QCMZEUPNMMVPRP-RBBKRZOGSA-N 1 0 415.578 2.536 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000793715385 1078262043 /nfs/dbraw/zinc/26/20/43/1078262043.db2.gz UHTOSNMKNZSBTR-IBGZPJMESA-N 1 0 409.530 2.693 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000793714578 1078262582 /nfs/dbraw/zinc/26/25/82/1078262582.db2.gz PRPKCAUTHJUTQX-NTKDMRAZSA-N 1 0 409.530 2.599 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CCCCNC(=O)OCc1ccccc1 ZINC000747144490 1078263558 /nfs/dbraw/zinc/26/35/58/1078263558.db2.gz DQSRISXQCSTZMC-NJDAHSKKSA-N 1 0 417.550 2.793 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)[NH+]1CCCCC1 ZINC000793723273 1078266188 /nfs/dbraw/zinc/26/61/88/1078266188.db2.gz LYAMLKTZNUTOQJ-KGLIPLIRSA-N 1 0 401.429 2.753 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000747145910 1078266783 /nfs/dbraw/zinc/26/67/83/1078266783.db2.gz LZUFHPDPTIHNRJ-UWWQBHOKSA-N 1 0 407.511 2.628 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000793695330 1078270939 /nfs/dbraw/zinc/27/09/39/1078270939.db2.gz NLNZUBBXXUPAOQ-IBGZPJMESA-N 1 0 409.530 2.599 20 0 HFADRO Cc1nc(-c2ccc(CNC(=O)C(=O)NC[C@H](C)[NH+]3CCCCC3)cc2)cs1 ZINC000793695269 1078270964 /nfs/dbraw/zinc/27/09/64/1078270964.db2.gz CBYXRHDHQYLHOO-HNNXBMFYSA-N 1 0 400.548 2.725 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)[NH+]1CCCCC1 ZINC000793698388 1078272472 /nfs/dbraw/zinc/27/24/72/1078272472.db2.gz KAANTUBOAZWIHE-KBXCAEBGSA-N 1 0 409.477 2.772 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[NH+]1CCCCC1 ZINC000793698364 1078272533 /nfs/dbraw/zinc/27/25/33/1078272533.db2.gz JSGQVQWMTMQPTE-KRWDZBQOSA-N 1 0 414.575 2.535 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000793705027 1078275954 /nfs/dbraw/zinc/27/59/54/1078275954.db2.gz BYCJZMKFDHNVSH-LTFXXXRZSA-N 1 0 409.571 2.732 20 0 HFADRO CC(C)C[C@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000793705517 1078276757 /nfs/dbraw/zinc/27/67/57/1078276757.db2.gz DRLVAQQOWOBKFA-ROUUACIJSA-N 1 0 404.555 2.502 20 0 HFADRO C[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000793745792 1078289052 /nfs/dbraw/zinc/28/90/52/1078289052.db2.gz DBEFWTJRFJMLLS-FUMNGEBKSA-N 1 0 422.614 2.506 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747145269 1078290169 /nfs/dbraw/zinc/29/01/69/1078290169.db2.gz JEAVLMRUILOJQF-QRVBRYPASA-N 1 0 409.571 2.734 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000747148969 1078293761 /nfs/dbraw/zinc/29/37/61/1078293761.db2.gz DNFQZHZLTCAJCB-NJYVYQBISA-N 1 0 415.578 2.814 20 0 HFADRO CC[C@H]1c2ccsc2CCN1C(=O)C(=O)NCc1cccnc1-n1ccnc1C ZINC000793807731 1078306332 /nfs/dbraw/zinc/30/63/32/1078306332.db2.gz IZTYMUAVWSIROG-KRWDZBQOSA-N 1 0 409.515 2.789 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000793807770 1078306341 /nfs/dbraw/zinc/30/63/41/1078306341.db2.gz SRJLZEUHWPODKU-MRXNPFEDSA-N 1 0 405.502 2.674 20 0 HFADRO CCCc1ccc(N2C[C@H](C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)CC2=O)cc1 ZINC000747147398 1078308421 /nfs/dbraw/zinc/30/84/21/1078308421.db2.gz ZQMIPTGUIQIHBK-ZHHKINOHSA-N 1 0 413.562 2.702 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000793777840 1078309212 /nfs/dbraw/zinc/30/92/12/1078309212.db2.gz HEDORUXGBAUMRG-QKNQBKEWSA-N 1 0 409.530 2.830 20 0 HFADRO C[N@H+](Cc1ccccc1CNC(=O)C(=O)NCCOc1cccnc1)C1CCCCC1 ZINC000793838172 1078311072 /nfs/dbraw/zinc/31/10/72/1078311072.db2.gz QVUNDCHLIQQXRG-UHFFFAOYSA-N 1 0 424.545 2.658 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000793845346 1078312692 /nfs/dbraw/zinc/31/26/92/1078312692.db2.gz ZGBROVXHMKNLQV-SFHVURJKSA-N 1 0 414.937 2.688 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793845304 1078312914 /nfs/dbraw/zinc/31/29/14/1078312914.db2.gz YSKXIOOVBKUGKI-OAQYLSRUSA-N 1 0 422.573 2.787 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000793846897 1078313709 /nfs/dbraw/zinc/31/37/09/1078313709.db2.gz QZSUCEIPLYMCRQ-QGZVFWFLSA-N 1 0 407.580 2.585 20 0 HFADRO CS[C@@H]1CN(C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000793813445 1078315290 /nfs/dbraw/zinc/31/52/90/1078315290.db2.gz JFUKOXSEYBQCJZ-RBUKOAKNSA-N 1 0 405.564 2.683 20 0 HFADRO CN1CC[NH+](CC2(C)CCN(C(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)CC2)CC1 ZINC000793815853 1078316007 /nfs/dbraw/zinc/31/60/07/1078316007.db2.gz ZNRJSGBIYKBQOI-SFHVURJKSA-N 1 0 422.614 2.508 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000793849604 1078321416 /nfs/dbraw/zinc/32/14/16/1078321416.db2.gz NHBCKYUHUBXCGB-QGZVFWFLSA-N 1 0 414.575 2.794 20 0 HFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CCCCC2)[C@H](C)C1 ZINC000793872429 1078329328 /nfs/dbraw/zinc/32/93/28/1078329328.db2.gz ABPILVYEKOYGKA-QZTJIDSGSA-N 1 0 411.587 2.765 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000793875478 1078331059 /nfs/dbraw/zinc/33/10/59/1078331059.db2.gz RLQYPXBIEAANSN-ZSYWTGECSA-N 1 0 411.587 2.573 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)C1 ZINC000793874871 1078331233 /nfs/dbraw/zinc/33/12/33/1078331233.db2.gz OUDWQOJGQKXFHX-AOIWGVFYSA-N 1 0 405.539 2.556 20 0 HFADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793877639 1078332231 /nfs/dbraw/zinc/33/22/31/1078332231.db2.gz YKOSWCIDBTYPOB-GOSISDBHSA-N 1 0 416.610 2.916 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901914 1078333214 /nfs/dbraw/zinc/33/32/14/1078333214.db2.gz OXTUSEIYXXBCRA-RBUKOAKNSA-N 1 0 414.594 2.695 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000793960254 1078347945 /nfs/dbraw/zinc/34/79/45/1078347945.db2.gz SSYBYSXJIPWBGI-PBASOCQRSA-N 1 0 421.626 2.839 20 0 HFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793969525 1078349299 /nfs/dbraw/zinc/34/92/99/1078349299.db2.gz ZGMOYCVUXBGMIN-AABGKKOBSA-N 1 0 410.518 2.521 20 0 HFADRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972813 1078350169 /nfs/dbraw/zinc/35/01/69/1078350169.db2.gz UUGQNZBSPAHHQE-SFTDATJTSA-N 1 0 422.529 2.569 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000793945650 1078353814 /nfs/dbraw/zinc/35/38/14/1078353814.db2.gz IHMORDQHOVLWAO-RXVVDRJESA-N 1 0 420.642 2.630 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC000793946749 1078355280 /nfs/dbraw/zinc/35/52/80/1078355280.db2.gz BVNKTITWSBZFDQ-QWFCFKBJSA-N 1 0 407.599 2.667 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001170440958 1078355299 /nfs/dbraw/zinc/35/52/99/1078355299.db2.gz FXEJIHWKGXJDKI-SFHVURJKSA-N 1 0 420.517 2.923 20 0 HFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000794101963 1078372505 /nfs/dbraw/zinc/37/25/05/1078372505.db2.gz BFIULRCKBUCSIN-UHFFFAOYSA-N 1 0 412.465 2.933 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C ZINC001170444686 1078391154 /nfs/dbraw/zinc/39/11/54/1078391154.db2.gz UGHVDAKQEQOOFE-XQFWAAQXSA-N 1 0 413.518 2.926 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@@H]2C1 ZINC001170444959 1078397981 /nfs/dbraw/zinc/39/79/81/1078397981.db2.gz UTMXETMYSJJXCI-WTGUMLROSA-N 1 0 402.535 2.846 20 0 HFADRO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000794293328 1078402842 /nfs/dbraw/zinc/40/28/42/1078402842.db2.gz MKULXOVWVYDHJU-ZWKOTPCHSA-N 1 0 417.554 2.637 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)COc3ccc(F)cc3)cc2)CC1 ZINC000794298370 1078404251 /nfs/dbraw/zinc/40/42/51/1078404251.db2.gz NBGGBMWXYYDXSM-UHFFFAOYSA-N 1 0 415.465 2.528 20 0 HFADRO O=S(=O)(c1ccc(NC2CCN(CC(F)(F)F)CC2)cc1)C1CC[NH2+]CC1 ZINC001170446369 1078426056 /nfs/dbraw/zinc/42/60/56/1078426056.db2.gz ZHLGNYDTOQGEAD-UHFFFAOYSA-N 1 0 405.486 2.651 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000794405488 1078427723 /nfs/dbraw/zinc/42/77/23/1078427723.db2.gz XNFJDJJJBXJQFV-SFHVURJKSA-N 1 0 406.527 2.548 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000794340610 1078419814 /nfs/dbraw/zinc/41/98/14/1078419814.db2.gz YNNNFFDFODOURM-QFIPXVFZSA-N 1 0 418.538 2.776 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000794404161 1078436348 /nfs/dbraw/zinc/43/63/48/1078436348.db2.gz IHANBZBWQDARBQ-OALUTQOASA-N 1 0 420.554 2.938 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000794404160 1078436407 /nfs/dbraw/zinc/43/64/07/1078436407.db2.gz IHANBZBWQDARBQ-MOPGFXCFSA-N 1 0 420.554 2.938 20 0 HFADRO Cc1csc(CCCCNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000804395936 1078452446 /nfs/dbraw/zinc/45/24/46/1078452446.db2.gz YSFNCUHNZVCISH-UHFFFAOYSA-N 1 0 402.564 2.611 20 0 HFADRO CC[N@@H+]1CCN(C(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)[C@@H](C)C1 ZINC000804379801 1078455524 /nfs/dbraw/zinc/45/55/24/1078455524.db2.gz BICOKSOQHNPPDF-TWQQJCIXSA-N 1 0 408.531 2.952 20 0 HFADRO CC[N@@H+]1CCN(C(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)[C@H](C)C1 ZINC000804379799 1078455581 /nfs/dbraw/zinc/45/55/81/1078455581.db2.gz BICOKSOQHNPPDF-BAACNHRGSA-N 1 0 408.531 2.952 20 0 HFADRO Cn1ncc2c1nc(CCC(=O)NCc1cccc(C[NH+]3CCCCCC3)c1)[nH]c2=O ZINC000747188061 1078469376 /nfs/dbraw/zinc/46/93/76/1078469376.db2.gz AHHQXFWIQUKOKM-UHFFFAOYSA-N 1 0 422.533 2.694 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C ZINC001129811950 1078510007 /nfs/dbraw/zinc/51/00/07/1078510007.db2.gz BMWCCGMFDJBCNX-DFQSSKMNSA-N 1 0 419.566 2.943 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC001129813327 1078511339 /nfs/dbraw/zinc/51/13/39/1078511339.db2.gz MPQXRLXXMRMOEI-RTBURBONSA-N 1 0 417.550 2.697 20 0 HFADRO COc1ccc(/C=C/C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1O ZINC000804448896 1078516355 /nfs/dbraw/zinc/51/63/55/1078516355.db2.gz RDJYZLRYJBEIDN-DQACCSDVSA-N 1 0 421.541 2.833 20 0 HFADRO COCc1nocc1C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129497389 1078518138 /nfs/dbraw/zinc/51/81/38/1078518138.db2.gz HSBNXRWQIOGPKX-UHFFFAOYSA-N 1 0 418.925 2.901 20 0 HFADRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC001170452237 1078519374 /nfs/dbraw/zinc/51/93/74/1078519374.db2.gz TYYUIKUXOZMKFW-UHFFFAOYSA-N 1 0 409.486 2.938 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H]1CCc2ccccc2OC1)c1ccccc1 ZINC000804696093 1078537679 /nfs/dbraw/zinc/53/76/79/1078537679.db2.gz DZZMKCQBGTUZCW-YLJYHZDGSA-N 1 0 409.530 2.742 20 0 HFADRO O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1C[C@@H]([NH2+]C/C=C\c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129857603 1078538147 /nfs/dbraw/zinc/53/81/47/1078538147.db2.gz AUCVKQXQYCPMKP-PEDYQVDISA-N 1 0 403.530 2.935 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000804696744 1078538913 /nfs/dbraw/zinc/53/89/13/1078538913.db2.gz BZKQZMWOSGESKG-OAHLLOKOSA-N 1 0 402.926 2.905 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCCNc3nnc(Cl)cc3C(N)=O)CC2)c1 ZINC000747209109 1078552207 /nfs/dbraw/zinc/55/22/07/1078552207.db2.gz GMRBZNCPMSFQLT-UHFFFAOYSA-N 1 0 402.930 2.552 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804509701 1078544835 /nfs/dbraw/zinc/54/48/35/1078544835.db2.gz BZWJRWFQOPRJAV-UKILVPOCSA-N 1 0 408.542 2.904 20 0 HFADRO CCOC(=O)C(C(=O)OCC)c1ccnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001170453547 1078549506 /nfs/dbraw/zinc/54/95/06/1078549506.db2.gz MYYMXWDAMPFBSI-UHFFFAOYSA-N 1 0 406.527 2.750 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000804524147 1078563416 /nfs/dbraw/zinc/56/34/16/1078563416.db2.gz LFHCASNTWBETSD-UMSONDCASA-N 1 0 422.529 2.664 20 0 HFADRO CCC(=O)c1ccc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804517297 1078558001 /nfs/dbraw/zinc/55/80/01/1078558001.db2.gz RTHMXHVJSBZXNL-GOSISDBHSA-N 1 0 401.532 2.637 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000804521245 1078560779 /nfs/dbraw/zinc/56/07/79/1078560779.db2.gz QMDXRVXHTDLFDX-RUZDIDTESA-N 1 0 422.573 2.874 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)/C=C\c3ccc(Cl)nc3)cc2)CC1 ZINC001129872878 1078569681 /nfs/dbraw/zinc/56/96/81/1078569681.db2.gz SUWXLNKYEVQUEZ-VURMDHGXSA-N 1 0 412.921 2.762 20 0 HFADRO C[C@@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1)c1ccccc1 ZINC001129903678 1078576155 /nfs/dbraw/zinc/57/61/55/1078576155.db2.gz AXCYWFZGXUSEOX-YLJYHZDGSA-N 1 0 415.559 2.892 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001129906078 1078578367 /nfs/dbraw/zinc/57/83/67/1078578367.db2.gz WABODPORWRTOPR-ZWKOTPCHSA-N 1 0 407.580 2.724 20 0 HFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730155 1078588765 /nfs/dbraw/zinc/58/87/65/1078588765.db2.gz YGGXBBGJEASFPV-WMZOPIPTSA-N 1 0 409.452 2.622 20 0 HFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804731263 1078589913 /nfs/dbraw/zinc/58/99/13/1078589913.db2.gz LCFNYZPBWJTGFE-WMZOPIPTSA-N 1 0 409.452 2.622 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(C1CC[NH2+]CC1)S(=O)(=O)c1cccnc1 ZINC001170457135 1078595485 /nfs/dbraw/zinc/59/54/85/1078595485.db2.gz XQOVLOJTBNHRAC-KRWDZBQOSA-N 1 0 417.531 2.574 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000804562772 1078598032 /nfs/dbraw/zinc/59/80/32/1078598032.db2.gz GEXFMEQGCVFANG-SJPCQFCGSA-N 1 0 415.563 2.716 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 ZINC000804567475 1078601791 /nfs/dbraw/zinc/60/17/91/1078601791.db2.gz OHYNRYWLGFRICS-HSZRJFAPSA-N 1 0 417.550 2.796 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000804567264 1078601896 /nfs/dbraw/zinc/60/18/96/1078601896.db2.gz NXVQDNAQPHAAHU-UHFFFAOYSA-N 1 0 415.987 2.928 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000804567098 1078602307 /nfs/dbraw/zinc/60/23/07/1078602307.db2.gz KSPZPGKNIYLGLY-UNOMPAQXSA-N 1 0 407.580 2.691 20 0 HFADRO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000804761244 1078611540 /nfs/dbraw/zinc/61/15/40/1078611540.db2.gz ZKWWDMCIUNFJLL-FQEVSTJZSA-N 1 0 416.566 2.515 20 0 HFADRO CCOc1ccc(-c2noc(CCC(=O)N3CC[NH+](C(C)(C)COC)CC3)n2)cc1 ZINC001129926420 1078619525 /nfs/dbraw/zinc/61/95/25/1078619525.db2.gz VFYWHPYCAMGIAY-UHFFFAOYSA-N 1 0 416.522 2.637 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc3c[nH+]cn3c2)ccc1C ZINC001129666109 1078626414 /nfs/dbraw/zinc/62/64/14/1078626414.db2.gz YTBWPPBTKIXOJE-UHFFFAOYSA-N 1 0 400.504 2.603 20 0 HFADRO CC[C@@H]1CC([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170467334 1078629906 /nfs/dbraw/zinc/62/99/06/1078629906.db2.gz CXWIUTBNSWHMTF-KBAYOESNSA-N 1 0 417.616 2.957 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)cc1 ZINC001129647106 1078635737 /nfs/dbraw/zinc/63/57/37/1078635737.db2.gz LPIILUZDJRWYSH-UYAOXDASSA-N 1 0 400.523 2.791 20 0 HFADRO CN(C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129679398 1078643308 /nfs/dbraw/zinc/64/33/08/1078643308.db2.gz NKUOUMHTLLAGPL-MRXNPFEDSA-N 1 0 418.504 2.789 20 0 HFADRO COC(=O)c1sc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)nc1Cl ZINC000804787107 1078643320 /nfs/dbraw/zinc/64/33/20/1078643320.db2.gz JNWRHWMVCBPUQC-UHFFFAOYSA-N 1 0 408.955 2.837 20 0 HFADRO CCC[NH+]1CCC(N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)CC1 ZINC000747213772 1078646496 /nfs/dbraw/zinc/64/64/96/1078646496.db2.gz XXFKCKSEHGQFAS-UHFFFAOYSA-N 1 0 417.579 2.965 20 0 HFADRO COCCOC(=O)c1c(C)[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C ZINC001129700698 1078659584 /nfs/dbraw/zinc/65/95/84/1078659584.db2.gz MNYRZGYKKZINGN-UHFFFAOYSA-N 1 0 407.536 2.700 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)C1 ZINC001129678554 1078666560 /nfs/dbraw/zinc/66/65/60/1078666560.db2.gz BWDQPJQMWDJVOW-WRDGEJPTSA-N 1 0 406.490 2.872 20 0 HFADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCc2ccccc2N(C)CC)CC1 ZINC000804833009 1078674303 /nfs/dbraw/zinc/67/43/03/1078674303.db2.gz BPELCOJGOLVWJH-UHFFFAOYSA-N 1 0 402.583 2.729 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000804858057 1078684171 /nfs/dbraw/zinc/68/41/71/1078684171.db2.gz MNELPLYVSVGXAA-UHFFFAOYSA-N 1 0 407.599 2.972 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)C2CC[NH+](CC)CC2)cc1 ZINC000747218510 1078687574 /nfs/dbraw/zinc/68/75/74/1078687574.db2.gz YVCWUQQRMHNENW-UHFFFAOYSA-N 1 0 417.579 2.965 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000804870260 1078693533 /nfs/dbraw/zinc/69/35/33/1078693533.db2.gz VVEKXRKPNPOLGT-UHFFFAOYSA-N 1 0 405.549 2.869 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804644637 1078697154 /nfs/dbraw/zinc/69/71/54/1078697154.db2.gz MNJBSJFAJRROJS-KNQAVFIVSA-N 1 0 422.573 2.928 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000804644164 1078698376 /nfs/dbraw/zinc/69/83/76/1078698376.db2.gz YGYVLXWEXUXJKJ-PBEJRMEISA-N 1 0 410.518 2.816 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000804643970 1078698656 /nfs/dbraw/zinc/69/86/56/1078698656.db2.gz UXBJSVBQMAWZDD-GIVPXCGWSA-N 1 0 406.530 2.567 20 0 HFADRO C[C@]1(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCc2ccccc21 ZINC001129742590 1078714501 /nfs/dbraw/zinc/71/45/01/1078714501.db2.gz LOMZYIWBVQUTDL-VWLOTQADSA-N 1 0 405.542 2.904 20 0 HFADRO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000804635434 1078716218 /nfs/dbraw/zinc/71/62/18/1078716218.db2.gz LOYUOZPIVZHFKM-SFTDATJTSA-N 1 0 415.534 2.792 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000804906269 1078728950 /nfs/dbraw/zinc/72/89/50/1078728950.db2.gz HLGVPXYRIGQUBL-IBGZPJMESA-N 1 0 413.440 2.572 20 0 HFADRO C[C@H]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804909170 1078732165 /nfs/dbraw/zinc/73/21/65/1078732165.db2.gz RIJYOYPEDKNURW-ZQIUZPCESA-N 1 0 414.472 2.735 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000804663473 1078732927 /nfs/dbraw/zinc/73/29/27/1078732927.db2.gz OFTMHNGSOHNRON-NRFANRHFSA-N 1 0 416.566 2.668 20 0 HFADRO Cc1ccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c(C[NH+](C)C)c1 ZINC000747223989 1078734362 /nfs/dbraw/zinc/73/43/62/1078734362.db2.gz NBNPVSHVHQCGQI-UHFFFAOYSA-N 1 0 424.545 2.950 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000804892595 1078750631 /nfs/dbraw/zinc/75/06/31/1078750631.db2.gz VIAMIUBANRTYQR-LPHOPBHVSA-N 1 0 402.539 2.742 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000804896627 1078752818 /nfs/dbraw/zinc/75/28/18/1078752818.db2.gz SHOQYGYIIYDHDV-KUHUBIRLSA-N 1 0 413.440 2.570 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000804944440 1078771698 /nfs/dbraw/zinc/77/16/98/1078771698.db2.gz QOZXMGLGJCMACY-GOSISDBHSA-N 1 0 423.557 2.872 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000804952085 1078779851 /nfs/dbraw/zinc/77/98/51/1078779851.db2.gz IJPQWOLDEAHNQP-BJKOFHAPSA-N 1 0 424.589 2.960 20 0 HFADRO Cc1nc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(Br)n1C ZINC000804949489 1078778187 /nfs/dbraw/zinc/77/81/87/1078778187.db2.gz ORSGFIBHLUVLDB-CQSZACIVSA-N 1 0 421.405 2.526 20 0 HFADRO COC1CC[NH+](C2(CNS(=O)(=O)c3ccc(Cl)nc3C)CCCC2)CC1 ZINC000804988886 1078792912 /nfs/dbraw/zinc/79/29/12/1078792912.db2.gz JRPRWDLKUJGOBN-UHFFFAOYSA-N 1 0 401.960 2.745 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NCCCC[NH+]3CCOCC3)CC2)cc1Cl ZINC000804954010 1078796566 /nfs/dbraw/zinc/79/65/66/1078796566.db2.gz FZSZJSKALWBMRA-UHFFFAOYSA-N 1 0 408.974 2.846 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000804955903 1078796998 /nfs/dbraw/zinc/79/69/98/1078796998.db2.gz WMQDQWCQXAPLKM-ULQDDVLXSA-N 1 0 420.520 2.986 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000804970712 1078805981 /nfs/dbraw/zinc/80/59/81/1078805981.db2.gz SXNRMOFJQDQJIT-LPHOPBHVSA-N 1 0 413.440 2.788 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000804997513 1078846410 /nfs/dbraw/zinc/84/64/10/1078846410.db2.gz NPYHDARTUHBHJZ-CYBMUJFWSA-N 1 0 421.405 2.670 20 0 HFADRO COC(=O)N1CCC[C@H](NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000805051234 1078865350 /nfs/dbraw/zinc/86/53/50/1078865350.db2.gz UFMMWUJLUGQHHP-UGKGYDQZSA-N 1 0 400.523 2.525 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000805098501 1078885369 /nfs/dbraw/zinc/88/53/69/1078885369.db2.gz IAXZSPQVGRNGSA-KBXCAEBGSA-N 1 0 401.429 2.644 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000805098526 1078885482 /nfs/dbraw/zinc/88/54/82/1078885482.db2.gz IAXZSPQVGRNGSA-KSSFIOAISA-N 1 0 401.429 2.644 20 0 HFADRO COC1(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074810 1078906568 /nfs/dbraw/zinc/90/65/68/1078906568.db2.gz QBBZJFKOIDQMKR-AZXFEVOCSA-N 1 0 401.551 2.892 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170475365 1078917657 /nfs/dbraw/zinc/91/76/57/1078917657.db2.gz PEXBPMVOIVIGPK-VQHPVUNQSA-N 1 0 403.589 2.567 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000805135296 1078932829 /nfs/dbraw/zinc/93/28/29/1078932829.db2.gz IKMHPBSTOCVOSV-PBHICJAKSA-N 1 0 405.392 2.565 20 0 HFADRO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000747230759 1078946533 /nfs/dbraw/zinc/94/65/33/1078946533.db2.gz XXMYTKUDSPKBSU-HSZRJFAPSA-N 1 0 411.546 2.912 20 0 HFADRO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)c2)cc1 ZINC001130097832 1078947965 /nfs/dbraw/zinc/94/79/65/1078947965.db2.gz GNPBPCDKLHOPPQ-FQEVSTJZSA-N 1 0 415.559 2.986 20 0 HFADRO COC[C@H](C)n1c(SCC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)nnc1-c1ccccc1 ZINC001130097849 1078948071 /nfs/dbraw/zinc/94/80/71/1078948071.db2.gz GWUNIOXBKJSMFE-WMZOPIPTSA-N 1 0 417.579 2.797 20 0 HFADRO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)s2)cc1OC ZINC000747231815 1078951798 /nfs/dbraw/zinc/95/17/98/1078951798.db2.gz OUTBUWOEYYZAJI-JKSUJKDBSA-N 1 0 417.531 2.729 20 0 HFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)C[NH+]1CCCCC1 ZINC000805182661 1078965639 /nfs/dbraw/zinc/96/56/39/1078965639.db2.gz OTLQNWXUOPORDB-UGUYLWEFSA-N 1 0 406.493 2.595 20 0 HFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000805184094 1078965650 /nfs/dbraw/zinc/96/56/50/1078965650.db2.gz OQBUHZRBXFACSB-FZKCQIBNSA-N 1 0 406.493 2.594 20 0 HFADRO C[N@H+](CCNC(=O)NC[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)C1CC1 ZINC000805185343 1078966474 /nfs/dbraw/zinc/96/64/74/1078966474.db2.gz ZLVHNKOLURMDEN-IBGZPJMESA-N 1 0 402.539 2.914 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000805187159 1078966741 /nfs/dbraw/zinc/96/67/41/1078966741.db2.gz FQONLHFNOVHHND-DZKIICNBSA-N 1 0 406.493 2.595 20 0 HFADRO CCO[C@@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)[C@@H]1SC ZINC001130114060 1078969972 /nfs/dbraw/zinc/96/99/72/1078969972.db2.gz MUEJNMNCZRRYCF-GGPKGHCWSA-N 1 0 402.564 2.751 20 0 HFADRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1 ZINC001130117220 1078987110 /nfs/dbraw/zinc/98/71/10/1078987110.db2.gz DAKFQPOBUGSOJB-UHFFFAOYSA-N 1 0 416.547 2.507 20 0 HFADRO CN(C)C(=O)COc1ccccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001130122529 1078992216 /nfs/dbraw/zinc/99/22/16/1078992216.db2.gz QCUROCDAMHIILC-CTNGQTDRSA-N 1 0 407.514 2.500 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000747237949 1078997811 /nfs/dbraw/zinc/99/78/11/1078997811.db2.gz BGZIQRLWOSVKKW-KQPPXVQYSA-N 1 0 414.527 2.598 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000805333195 1079023440 /nfs/dbraw/zinc/02/34/40/1079023440.db2.gz KIZPQMJYADFUGV-OAGGEKHMSA-N 1 0 401.498 2.964 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC000805312753 1079032831 /nfs/dbraw/zinc/03/28/31/1079032831.db2.gz WHJDZPFCIVITMW-MSOLQXFVSA-N 1 0 408.543 3.000 20 0 HFADRO CCCS(=O)(=O)CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170479307 1079029725 /nfs/dbraw/zinc/02/97/25/1079029725.db2.gz IKHAWEMXNDPEQU-HNNXBMFYSA-N 1 0 421.344 2.980 20 0 HFADRO COC(=O)[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC001130168515 1079049692 /nfs/dbraw/zinc/04/96/92/1079049692.db2.gz AEXPBVFKMFZDMQ-BETUJISGSA-N 1 0 412.328 2.585 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000747241174 1079065056 /nfs/dbraw/zinc/06/50/56/1079065056.db2.gz XTGNWQPJWPQFPI-KVDXNUTJSA-N 1 0 414.527 2.988 20 0 HFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206200 1079084025 /nfs/dbraw/zinc/08/40/25/1079084025.db2.gz JPRHULVDJHXMBT-JSGCOSHPSA-N 1 0 417.926 2.661 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)ccc1F ZINC000747245480 1079120649 /nfs/dbraw/zinc/12/06/49/1079120649.db2.gz MAUUXAJUVAYFTD-UHFFFAOYSA-N 1 0 412.527 2.889 20 0 HFADRO O=C(COC(=O)c1n[nH]nc1-c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000805551225 1079137510 /nfs/dbraw/zinc/13/75/10/1079137510.db2.gz GDRQJQYWLYOVFP-UHFFFAOYSA-N 1 0 419.485 2.541 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc1 ZINC000747248367 1079146154 /nfs/dbraw/zinc/14/61/54/1079146154.db2.gz NVSVTPVAFZEPQB-RAXLEYEMSA-N 1 0 420.506 2.764 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)ccc1F ZINC000747253157 1079159251 /nfs/dbraw/zinc/15/92/51/1079159251.db2.gz JDVFOHZBJSSPGP-UHFFFAOYSA-N 1 0 412.458 2.504 20 0 HFADRO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001130301074 1079192198 /nfs/dbraw/zinc/19/21/98/1079192198.db2.gz GRKVOPXWNNUGBA-OALUTQOASA-N 1 0 415.563 2.810 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130301194 1079192669 /nfs/dbraw/zinc/19/26/69/1079192669.db2.gz IUORDHOGNKMVKI-KYJSFNMBSA-N 1 0 420.351 2.935 20 0 HFADRO CC(C)C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCOCC1 ZINC001130322134 1079198401 /nfs/dbraw/zinc/19/84/01/1079198401.db2.gz BEUOPIRRKMADGD-NRFANRHFSA-N 1 0 415.578 2.678 20 0 HFADRO C[C@H]([NH2+]C1(CNC(=O)C(=O)N2CCC(c3cn[nH]c3)CC2)CCCC1)c1ccccc1 ZINC000805647891 1079201360 /nfs/dbraw/zinc/20/13/60/1079201360.db2.gz XGDLDYYPNXSHEC-SFHVURJKSA-N 1 0 423.561 2.896 20 0 HFADRO Cc1ccc(CC(=O)O[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000805666952 1079210885 /nfs/dbraw/zinc/21/08/85/1079210885.db2.gz YYBNUTOLYACDME-APWZRJJASA-N 1 0 415.921 2.908 20 0 HFADRO CCC[N@H+](C)[C@H](CNC(=O)N1CCN2C(=O)OCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805752181 1079231012 /nfs/dbraw/zinc/23/10/12/1079231012.db2.gz ADYCXPWYSZTFMO-ZWKOTPCHSA-N 1 0 408.930 2.959 20 0 HFADRO CCC[N@H+](C)[C@@H](CNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805753905 1079231928 /nfs/dbraw/zinc/23/19/28/1079231928.db2.gz UKDGLGOBOSSRDD-NJAFHUGGSA-N 1 0 408.930 2.863 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)CC1 ZINC000805741962 1079244381 /nfs/dbraw/zinc/24/43/81/1079244381.db2.gz XSISZHWABSTFSP-HXUWFJFHSA-N 1 0 414.594 2.579 20 0 HFADRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000805789626 1079255885 /nfs/dbraw/zinc/25/58/85/1079255885.db2.gz HFCUSVWXUOXRMR-OAHLLOKOSA-N 1 0 413.474 2.699 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCO[C@H]3CCCC[C@@H]31)C2 ZINC000805792404 1079257495 /nfs/dbraw/zinc/25/74/95/1079257495.db2.gz BLKBOVHVUKWQFF-YDHSSHFGSA-N 1 0 421.582 2.879 20 0 HFADRO COc1ccc([C@H](C)[NH2+]Cc2c(C)nn(CCS(C)(=O)=O)c2C)c(C)c1OC ZINC000805833089 1079272916 /nfs/dbraw/zinc/27/29/16/1079272916.db2.gz RXSGOSKRXLYPSO-AWEZNQCLSA-N 1 0 409.552 2.721 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000805765701 1079266100 /nfs/dbraw/zinc/26/61/00/1079266100.db2.gz OOSXILUPXSOYQQ-RBUKOAKNSA-N 1 0 417.550 2.876 20 0 HFADRO CC[C@H]1CC([N@@H+]2C[C@H]3CN(CCOC)C(=O)[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170488390 1079266388 /nfs/dbraw/zinc/26/63/88/1079266388.db2.gz GHKGMZPOLUQVLG-LXZJYRNTSA-N 1 0 423.598 2.980 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000747267507 1079267396 /nfs/dbraw/zinc/26/73/96/1079267396.db2.gz PBFXYYYERDNJDM-VGOFMYFVSA-N 1 0 418.515 2.638 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000805767130 1079269476 /nfs/dbraw/zinc/26/94/76/1079269476.db2.gz DSROIYNWFNSJTI-WIYYLYMNSA-N 1 0 424.545 2.731 20 0 HFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)CC(F)(F)Br)CC1 ZINC000805838014 1079277198 /nfs/dbraw/zinc/27/71/98/1079277198.db2.gz XAWJSIFECHTHQP-UHFFFAOYSA-N 1 0 418.326 2.949 20 0 HFADRO Cc1ncn(-c2ccc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)nn2)c1C ZINC001170489280 1079286066 /nfs/dbraw/zinc/28/60/66/1079286066.db2.gz HWTIOMCYDOEYRZ-VNCLNFNDSA-N 1 0 419.533 2.651 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000805818593 1079290838 /nfs/dbraw/zinc/29/08/38/1079290838.db2.gz PSOOAPYPRWJOAH-UHFFFAOYSA-N 1 0 417.554 2.565 20 0 HFADRO C[C@@H](C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)CO)c1ccccc1 ZINC000805820192 1079292499 /nfs/dbraw/zinc/29/24/99/1079292499.db2.gz GZEQXWILAFBBHG-PMACEKPBSA-N 1 0 411.546 2.948 20 0 HFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000805828275 1079298180 /nfs/dbraw/zinc/29/81/80/1079298180.db2.gz FOXVLJDUMYRPNF-CYBMUJFWSA-N 1 0 413.902 2.896 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000805830585 1079299436 /nfs/dbraw/zinc/29/94/36/1079299436.db2.gz KWWFITJTTGIAAQ-QHCPKHFHSA-N 1 0 414.550 2.772 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000805831803 1079300301 /nfs/dbraw/zinc/30/03/01/1079300301.db2.gz RWRCETKLMDGKPU-FQEVSTJZSA-N 1 0 402.539 2.910 20 0 HFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)c1OC ZINC000805831721 1079300692 /nfs/dbraw/zinc/30/06/92/1079300692.db2.gz KPARJPCKMOJENU-GFCCVEGCSA-N 1 0 417.531 2.951 20 0 HFADRO COC(=O)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[C@@H](OC)C1 ZINC001130411671 1079313135 /nfs/dbraw/zinc/31/31/35/1079313135.db2.gz YZXPPJXZZCVTTR-DOIPELPJSA-N 1 0 402.535 2.762 20 0 HFADRO CCC[N@H+](CC)Cc1ccc(C(=O)Oc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 ZINC000805876464 1079317260 /nfs/dbraw/zinc/31/72/60/1079317260.db2.gz PVJRAHHUIHIWJG-HXUWFJFHSA-N 1 0 409.486 2.888 20 0 HFADRO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170490496 1079317546 /nfs/dbraw/zinc/31/75/46/1079317546.db2.gz MWXWOIWDYFCEDS-NVXWUHKLSA-N 1 0 414.331 2.876 20 0 HFADRO CCO[C@H](C(=O)N[C@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001130448371 1079349732 /nfs/dbraw/zinc/34/97/32/1079349732.db2.gz RSYKDVYVGHJWDT-NZQKXSOJSA-N 1 0 402.535 2.906 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001130475372 1079388741 /nfs/dbraw/zinc/38/87/41/1079388741.db2.gz MGWGJWUEMHKSLM-OKZBNKHCSA-N 1 0 407.580 2.628 20 0 HFADRO CC[C@H]1CC([NH+]2CCN(c3ncncn3)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496319 1079396107 /nfs/dbraw/zinc/39/61/07/1079396107.db2.gz HIOBBCIVAZZFQZ-IRXDYDNUSA-N 1 0 404.559 2.950 20 0 HFADRO COC(=O)c1c[nH]c2ncc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)cc12 ZINC001170496404 1079396244 /nfs/dbraw/zinc/39/62/44/1079396244.db2.gz PXGGCZUERVRZSI-QQFBHYJXSA-N 1 0 421.501 2.721 20 0 HFADRO CC(C)NC(=O)c1cncc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1 ZINC001170496470 1079396419 /nfs/dbraw/zinc/39/64/19/1079396419.db2.gz TXSNSXNTJQQKCV-WWDZGPRUSA-N 1 0 409.534 2.591 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)CC1=O ZINC001130498868 1079415541 /nfs/dbraw/zinc/41/55/41/1079415541.db2.gz FRSURWCQKBWSKB-UHFFFAOYSA-N 1 0 400.910 2.612 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CC1=O ZINC001130499135 1079416198 /nfs/dbraw/zinc/41/61/98/1079416198.db2.gz XPMQAORFLXOMGL-CSKARUKUSA-N 1 0 401.507 2.800 20 0 HFADRO Cc1nc(CSc2ccccc2C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cs1 ZINC001130496725 1079433966 /nfs/dbraw/zinc/43/39/66/1079433966.db2.gz HKTHTKDXDPUWQF-UHFFFAOYSA-N 1 0 418.588 2.590 20 0 HFADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001130517974 1079448808 /nfs/dbraw/zinc/44/88/08/1079448808.db2.gz BRXYKRGKABDIFT-IAGOWNOFSA-N 1 0 408.340 2.702 20 0 HFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518224 1079449438 /nfs/dbraw/zinc/44/94/38/1079449438.db2.gz ILSABPOKXLRZIM-VQTJNVASSA-N 1 0 405.564 2.608 20 0 HFADRO Clc1ccc2c(n1)CC[C@@H]2[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000806147601 1079467437 /nfs/dbraw/zinc/46/74/37/1079467437.db2.gz YVXXXXIOMBKUFK-RDJZCZTQSA-N 1 0 414.941 2.608 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H](C(F)(F)F)[C@@H](CO)C3)cc2)CC1 ZINC000806155041 1079470488 /nfs/dbraw/zinc/47/04/88/1079470488.db2.gz LUWVCCCJCXBXRZ-QAPCUYQASA-N 1 0 414.472 2.853 20 0 HFADRO CC(C)[C@@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000806163872 1079473774 /nfs/dbraw/zinc/47/37/74/1079473774.db2.gz WIUDZXPTAJXLNK-HNAYVOBHSA-N 1 0 402.930 2.533 20 0 HFADRO C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000806182951 1079477187 /nfs/dbraw/zinc/47/71/87/1079477187.db2.gz IFSYLRAHTXUGRG-AEFFLSMTSA-N 1 0 415.515 2.757 20 0 HFADRO C[C@@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001137551707 1079479087 /nfs/dbraw/zinc/47/90/87/1079479087.db2.gz OAGLIADSVXLINB-TZMCWYRMSA-N 1 0 404.864 2.852 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)no1 ZINC000806207799 1079493788 /nfs/dbraw/zinc/49/37/88/1079493788.db2.gz WCEPNBKYZOMLMQ-GOSISDBHSA-N 1 0 420.579 2.514 20 0 HFADRO CCOCCCNC(=O)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000806213210 1079498126 /nfs/dbraw/zinc/49/81/26/1079498126.db2.gz NKIKKUIPTLHUGK-YOFSQIOKSA-N 1 0 402.539 2.932 20 0 HFADRO COc1cc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)ccc1S(=O)(=O)C(F)F ZINC000806179032 1079498564 /nfs/dbraw/zinc/49/85/64/1079498564.db2.gz NYBBFLLWCUJKMD-WFASDCNBSA-N 1 0 400.447 2.513 20 0 HFADRO O=C(Cc1ccccc1CO)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000787332095 1076743678 /nfs/dbraw/zinc/74/36/78/1076743678.db2.gz LKBZSQOOZQFDJK-UHFFFAOYSA-N 1 0 401.938 2.703 20 0 HFADRO C[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C(C)(C)C1 ZINC000746676126 1076749441 /nfs/dbraw/zinc/74/94/41/1076749441.db2.gz SNXMDFFUZMWHIM-MRXNPFEDSA-N 1 0 420.579 2.996 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NCc2cc(=O)oc3cc(NC(C)=O)ccc23)[C@@H](C)C1 ZINC000787301665 1076749732 /nfs/dbraw/zinc/74/97/32/1076749732.db2.gz CBIXICIIMRNXTL-KKSFZXQISA-N 1 0 415.534 2.978 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)CCC1 ZINC000787322623 1076764676 /nfs/dbraw/zinc/76/46/76/1076764676.db2.gz IEKDUPULKWPCMD-UHFFFAOYSA-N 1 0 402.539 2.819 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322274 1076765610 /nfs/dbraw/zinc/76/56/10/1076765610.db2.gz CZESIGJXWQVRAU-BZSNNMDCSA-N 1 0 424.586 2.717 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000787323191 1076766711 /nfs/dbraw/zinc/76/67/11/1076766711.db2.gz ARYNJTNROFFFOW-JENIJYKNSA-N 1 0 424.586 2.527 20 0 HFADRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000787337561 1076783206 /nfs/dbraw/zinc/78/32/06/1076783206.db2.gz RKXJODVHANARFD-OAHLLOKOSA-N 1 0 420.558 2.639 20 0 HFADRO Cn1cc(C[C@H]2CC[N@H+](CC(=O)Nc3ccccc3C(=O)NC3CCCC3)C2)cn1 ZINC000746677788 1076791763 /nfs/dbraw/zinc/79/17/63/1076791763.db2.gz HDHNDVYOFXNAPT-QGZVFWFLSA-N 1 0 409.534 2.596 20 0 HFADRO C[NH+](C)CCC1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787352427 1076793085 /nfs/dbraw/zinc/79/30/85/1076793085.db2.gz SWXFVZSWUJDPSR-KRWDZBQOSA-N 1 0 419.570 2.938 20 0 HFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787388776 1076804888 /nfs/dbraw/zinc/80/48/88/1076804888.db2.gz ZBMOKNBBCHGPTP-RKVPGOIHSA-N 1 0 405.543 2.546 20 0 HFADRO O=C(CCCC[NH+]1CCCC1)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000787399206 1076807956 /nfs/dbraw/zinc/80/79/56/1076807956.db2.gz UDRSKOPPRDRGCR-UHFFFAOYSA-N 1 0 405.490 2.862 20 0 HFADRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1 ZINC000746685412 1076818486 /nfs/dbraw/zinc/81/84/86/1076818486.db2.gz BHXOUGFLGAAAJS-FGZHOGPDSA-N 1 0 409.530 2.982 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000787532642 1076850903 /nfs/dbraw/zinc/85/09/03/1076850903.db2.gz KTJUUVZIIBOSSV-HYFFOGBASA-N 1 0 411.587 2.885 20 0 HFADRO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)[NH+]1CCC(C)CC1 ZINC000787616156 1076879690 /nfs/dbraw/zinc/87/96/90/1076879690.db2.gz LPGJSHSAXSAAOV-VAMGGRTRSA-N 1 0 419.566 2.567 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)c1ccsc1 ZINC000787616479 1076880133 /nfs/dbraw/zinc/88/01/33/1076880133.db2.gz MHQHWZNSOVMQQA-IBGZPJMESA-N 1 0 417.575 2.791 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000746701279 1076880673 /nfs/dbraw/zinc/88/06/73/1076880673.db2.gz GCDAFLRVGVKIRE-NEWSRXKRSA-N 1 0 408.564 2.788 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1cc(C)cc(Cl)n1)c1ccsc1 ZINC000787618520 1076881202 /nfs/dbraw/zinc/88/12/02/1076881202.db2.gz XQPGJDGDDSPIBR-MRXNPFEDSA-N 1 0 408.955 2.920 20 0 HFADRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1(C)C ZINC000787676038 1076890397 /nfs/dbraw/zinc/89/03/97/1076890397.db2.gz MTANXAHMOKDXMK-UHFFFAOYSA-N 1 0 424.501 2.632 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)c1ccccc1 ZINC000787638460 1076892246 /nfs/dbraw/zinc/89/22/46/1076892246.db2.gz MOUZHQBOBVYXIR-CJFMBICVSA-N 1 0 422.573 2.656 20 0 HFADRO CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000787663221 1076903178 /nfs/dbraw/zinc/90/31/78/1076903178.db2.gz CTPHQCWHWHKCMG-KRWDZBQOSA-N 1 0 411.468 2.869 20 0 HFADRO CC[NH+]1CCN(CC(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000787665096 1076903884 /nfs/dbraw/zinc/90/38/84/1076903884.db2.gz OIZVBHBBKZCDIC-UHFFFAOYSA-N 1 0 407.558 2.801 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000787680035 1076908908 /nfs/dbraw/zinc/90/89/08/1076908908.db2.gz ZZQXBWLAUVFXKA-LMMKCTJWSA-N 1 0 409.571 2.734 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)C1 ZINC000787707335 1076919838 /nfs/dbraw/zinc/91/98/38/1076919838.db2.gz DFKCMZWSOCFYKB-QYWGDWMGSA-N 1 0 413.559 2.593 20 0 HFADRO C[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nc2ccccc2s1 ZINC000787708153 1076920738 /nfs/dbraw/zinc/92/07/38/1076920738.db2.gz RZDFWEJWLCQWPC-OAGGEKHMSA-N 1 0 402.564 2.958 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000787752951 1076927679 /nfs/dbraw/zinc/92/76/79/1076927679.db2.gz WUNBXANNRDKURV-QFIPXVFZSA-N 1 0 423.557 2.874 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000787754515 1076927731 /nfs/dbraw/zinc/92/77/31/1076927731.db2.gz AAZRKKVIURQLOK-XUWVNRHRSA-N 1 0 409.493 2.779 20 0 HFADRO CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000787759430 1076929257 /nfs/dbraw/zinc/92/92/57/1076929257.db2.gz GHSDAXMEAFVFHF-RYQLBKOJSA-N 1 0 413.559 2.904 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCC(OC[C@@H]3CCCCO3)CC2)C1 ZINC000787728857 1076933272 /nfs/dbraw/zinc/93/32/72/1076933272.db2.gz CXKAKDIKPSMVAZ-IPJJNNNSSA-N 1 0 412.571 2.797 20 0 HFADRO COc1c(C)cnc(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1C ZINC000787737290 1076936009 /nfs/dbraw/zinc/93/60/09/1076936009.db2.gz OOYPGAWPBZMCBC-NRFANRHFSA-N 1 0 424.545 2.667 20 0 HFADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000787739358 1076936635 /nfs/dbraw/zinc/93/66/35/1076936635.db2.gz UBSMACAEQKSMIL-UNMCSNQZSA-N 1 0 406.530 2.741 20 0 HFADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000787741077 1076937755 /nfs/dbraw/zinc/93/77/55/1076937755.db2.gz YHECINSMPVZSPQ-FCHUYYIVSA-N 1 0 421.541 2.840 20 0 HFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787742158 1076938028 /nfs/dbraw/zinc/93/80/28/1076938028.db2.gz ZJTWEXIYTSGCKI-YADHBBJMSA-N 1 0 421.545 2.622 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000787767445 1076941061 /nfs/dbraw/zinc/94/10/61/1076941061.db2.gz FVAPATIDQPJDQU-UHFFFAOYSA-N 1 0 401.548 2.659 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@](C)(O)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000787768047 1076941366 /nfs/dbraw/zinc/94/13/66/1076941366.db2.gz XTOZYUUUHUIHIF-LLGFUMIMSA-N 1 0 410.486 2.564 20 0 HFADRO CN1CCN(C(=O)CC2CC[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000787772108 1076942242 /nfs/dbraw/zinc/94/22/42/1076942242.db2.gz XTJLDNSPRQWTIZ-QHCPKHFHSA-N 1 0 422.614 2.510 20 0 HFADRO Cc1csc([C@](O)(CC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C(F)(F)F)n1 ZINC000787773789 1076942788 /nfs/dbraw/zinc/94/27/88/1076942788.db2.gz QDIQRNMGVJDQFD-MRXNPFEDSA-N 1 0 417.457 2.693 20 0 HFADRO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@H](O)c3cc(F)cc(Cl)c3)cc2)CC1 ZINC000787846276 1076962591 /nfs/dbraw/zinc/96/25/91/1076962591.db2.gz YZXZARVGBWRUQO-FQEVSTJZSA-N 1 0 405.901 2.690 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)cc1 ZINC000787884318 1076976665 /nfs/dbraw/zinc/97/66/65/1076976665.db2.gz URGAYXRNZPNOKC-FOIQADDNSA-N 1 0 401.482 2.844 20 0 HFADRO Cn1nc(Br)c2c1ncnc2NC1CC[NH+](Cc2cccnc2)CC1 ZINC000787886122 1076977999 /nfs/dbraw/zinc/97/79/99/1076977999.db2.gz LGUQUMWPRVPXFD-UHFFFAOYSA-N 1 0 402.300 2.597 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000787891932 1076980647 /nfs/dbraw/zinc/98/06/47/1076980647.db2.gz IWLIKVZCZNLXGZ-NRFANRHFSA-N 1 0 417.550 2.654 20 0 HFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)C1 ZINC000787907069 1076990053 /nfs/dbraw/zinc/99/00/53/1076990053.db2.gz BOLGEPHORYBVEQ-RNQSCQIESA-N 1 0 415.578 2.561 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000787911747 1076992428 /nfs/dbraw/zinc/99/24/28/1076992428.db2.gz QEAXDQQNNWPAKI-QRVBRYPASA-N 1 0 421.607 2.791 20 0 HFADRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000787926587 1076999559 /nfs/dbraw/zinc/99/95/59/1076999559.db2.gz SLIHTUMDMGZMLI-UHFFFAOYSA-N 1 0 418.918 2.571 20 0 HFADRO COc1ccc(OC)c2c1CN(C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C[C@@H]2O ZINC000788011477 1077027836 /nfs/dbraw/zinc/02/78/36/1077027836.db2.gz JSYXXIGZMYWWKM-FPOVZHCZSA-N 1 0 412.530 2.844 20 0 HFADRO CCCC(=O)Nc1cccc(CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000788014251 1077028916 /nfs/dbraw/zinc/02/89/16/1077028916.db2.gz KLGZKQFGIPLVFF-UHFFFAOYSA-N 1 0 424.545 2.762 20 0 HFADRO C[C@H]1CCCC[C@@H]1OCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787985227 1077032611 /nfs/dbraw/zinc/03/26/11/1077032611.db2.gz APUNLQYPAQWCLA-RXVVDRJESA-N 1 0 407.599 2.859 20 0 HFADRO COC(=O)c1cn(C2CC[NH+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)nn1 ZINC000788026699 1077034388 /nfs/dbraw/zinc/03/43/88/1077034388.db2.gz ZFWSCSUKNAGLTF-INIZCTEOSA-N 1 0 421.542 2.739 20 0 HFADRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)C1 ZINC000788040981 1077037971 /nfs/dbraw/zinc/03/79/71/1077037971.db2.gz KMFFYZXGKSYCSZ-LJQANCHMSA-N 1 0 421.497 2.711 20 0 HFADRO C[NH+](C)[C@@H]1CCCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)C1 ZINC000788047029 1077041011 /nfs/dbraw/zinc/04/10/11/1077041011.db2.gz ODLHILXIQLEMIE-SNVBAGLBSA-N 1 0 400.704 2.615 20 0 HFADRO CC(C)(C)C(=O)NCc1ccc(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1 ZINC000788067169 1077050961 /nfs/dbraw/zinc/05/09/61/1077050961.db2.gz CNBWWFZGFXFNGH-KRWDZBQOSA-N 1 0 411.506 2.547 20 0 HFADRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC1CCC2(CC1)OCCO2 ZINC000788093782 1077056685 /nfs/dbraw/zinc/05/66/85/1077056685.db2.gz JOVIZPAESSTOIZ-LJQANCHMSA-N 1 0 401.551 2.637 20 0 HFADRO COc1cc(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)cnc1Br ZINC000788212095 1077080615 /nfs/dbraw/zinc/08/06/15/1077080615.db2.gz MBWPEDSUTTWGEV-UHFFFAOYSA-N 1 0 422.323 2.766 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000788250890 1077086614 /nfs/dbraw/zinc/08/66/14/1077086614.db2.gz XRHXZQQZCQIGOE-RYQLBKOJSA-N 1 0 422.522 2.971 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc(Br)n[nH]3)CC2)c1 ZINC000788278583 1077096345 /nfs/dbraw/zinc/09/63/45/1077096345.db2.gz CRHRZJOLHQSZLO-UHFFFAOYSA-N 1 0 420.355 2.813 20 0 HFADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(Br)n[nH]1 ZINC000788283382 1077097685 /nfs/dbraw/zinc/09/76/85/1077097685.db2.gz OUHQIFCIQPGFGX-UHFFFAOYSA-N 1 0 406.328 2.504 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000788343350 1077111879 /nfs/dbraw/zinc/11/18/79/1077111879.db2.gz INHUYBKAIQLQET-UHFFFAOYSA-N 1 0 410.518 2.934 20 0 HFADRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788429388 1077143884 /nfs/dbraw/zinc/14/38/84/1077143884.db2.gz JOZVDDONAYECHO-KKSFZXQISA-N 1 0 422.595 2.709 20 0 HFADRO COc1cccc([C@H](O)C[NH2+][C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000788430811 1077144161 /nfs/dbraw/zinc/14/41/61/1077144161.db2.gz QOOWSIXCCQIXRH-AABGKKOBSA-N 1 0 406.523 2.733 20 0 HFADRO O=C(CC1CCC2(CC1)OCCO2)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000788450832 1077163711 /nfs/dbraw/zinc/16/37/11/1077163711.db2.gz XTZJJWYPWSZKLT-UHFFFAOYSA-N 1 0 415.534 2.774 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2)CCN1C(=O)OC(C)(C)C ZINC000788497045 1077181861 /nfs/dbraw/zinc/18/18/61/1077181861.db2.gz CVOGDJTXHKLZHQ-MAUKXSAKSA-N 1 0 408.495 2.735 20 0 HFADRO O=S(=O)(N1CCC(C[NH2+]Cc2ncc(C(F)(F)F)s2)CC1)C(F)(F)F ZINC000788520754 1077190118 /nfs/dbraw/zinc/19/01/18/1077190118.db2.gz VDGVHCFELVJZDD-UHFFFAOYSA-N 1 0 411.393 2.813 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000788549880 1077197439 /nfs/dbraw/zinc/19/74/39/1077197439.db2.gz ZHUBTJRMTPBTDC-UHFFFAOYSA-N 1 0 417.579 2.967 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000788550897 1077197828 /nfs/dbraw/zinc/19/78/28/1077197828.db2.gz LGPJDHQJTJEQCV-UHFFFAOYSA-N 1 0 401.960 2.538 20 0 HFADRO O=C(NCCSC(F)(F)F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000788555476 1077199993 /nfs/dbraw/zinc/19/99/93/1077199993.db2.gz ASIWUWRGDVCNHH-MQVJKMGUSA-N 1 0 415.481 2.667 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788558792 1077201203 /nfs/dbraw/zinc/20/12/03/1077201203.db2.gz VYGPFYJBIBPYPG-OTWHNJEPSA-N 1 0 423.529 2.959 20 0 HFADRO CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 ZINC000788530319 1077203822 /nfs/dbraw/zinc/20/38/22/1077203822.db2.gz XSBQXYBGADIHOS-MRXNPFEDSA-N 1 0 422.932 2.582 20 0 HFADRO COc1cc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cnc1Br ZINC000788531257 1077204127 /nfs/dbraw/zinc/20/41/27/1077204127.db2.gz WHLBQPPSUVIHJE-JSGCOSHPSA-N 1 0 400.342 2.505 20 0 HFADRO COc1ccc(CCS(=O)(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000788587895 1077213522 /nfs/dbraw/zinc/21/35/22/1077213522.db2.gz BNVDKLUKTNZVLT-UHFFFAOYSA-N 1 0 402.560 2.994 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000788587911 1077213556 /nfs/dbraw/zinc/21/35/56/1077213556.db2.gz KSPUJEFQNIAVST-CYBMUJFWSA-N 1 0 414.344 2.988 20 0 HFADRO CC(C)CC(=O)N1CCN(C(=O)CCCCC[NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000788589435 1077214699 /nfs/dbraw/zinc/21/46/99/1077214699.db2.gz RIZMAPWGPIHAME-SFHVURJKSA-N 1 0 404.555 2.715 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000788599250 1077218510 /nfs/dbraw/zinc/21/85/10/1077218510.db2.gz RGHCYZKSSSBNAR-QGZVFWFLSA-N 1 0 411.568 2.674 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000746751707 1077220207 /nfs/dbraw/zinc/22/02/07/1077220207.db2.gz UTSRAWYNHZMQLW-GOSISDBHSA-N 1 0 412.575 2.528 20 0 HFADRO C[C@H](OC(=O)[C@H](C)Oc1cccc(C=O)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746752512 1077220448 /nfs/dbraw/zinc/22/04/48/1077220448.db2.gz KCJPCQNTIRTMNI-BBTUJRGHSA-N 1 0 424.497 2.589 20 0 HFADRO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000788606819 1077221896 /nfs/dbraw/zinc/22/18/96/1077221896.db2.gz YJXKRZNYIKLLED-ICSRJNTNSA-N 1 0 402.535 2.945 20 0 HFADRO CCn1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)c1=O ZINC000788606422 1077221931 /nfs/dbraw/zinc/22/19/31/1077221931.db2.gz GUMVUGOQUFYXGZ-GFCCVEGCSA-N 1 0 400.447 2.724 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)=NO1 ZINC000788644010 1077222856 /nfs/dbraw/zinc/22/28/56/1077222856.db2.gz DMBYLQUNKSSULQ-GOSISDBHSA-N 1 0 422.570 2.771 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788649380 1077224603 /nfs/dbraw/zinc/22/46/03/1077224603.db2.gz BDYSRZJWIHNMJL-OVQGTLEDSA-N 1 0 424.545 2.815 20 0 HFADRO C[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCC(C)CC1 ZINC000788651206 1077225826 /nfs/dbraw/zinc/22/58/26/1077225826.db2.gz ZAOINESQMQFVOF-DZFGPLHGSA-N 1 0 424.545 2.815 20 0 HFADRO CC1(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)CC[NH+](Cc2ccccc2)CC1 ZINC000772722217 1077228043 /nfs/dbraw/zinc/22/80/43/1077228043.db2.gz LERYKQRXJWAACL-UHFFFAOYSA-N 1 0 424.497 2.877 20 0 HFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788636390 1077240311 /nfs/dbraw/zinc/24/03/11/1077240311.db2.gz GUYZLBWNLCEZEH-UXPWSPDFSA-N 1 0 410.518 2.569 20 0 HFADRO CC(C)[C@H](CNC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000788636631 1077241579 /nfs/dbraw/zinc/24/15/79/1077241579.db2.gz JTOMKBAVXLPMHA-AEFFLSMTSA-N 1 0 410.559 2.529 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788643431 1077245078 /nfs/dbraw/zinc/24/50/78/1077245078.db2.gz LVEAJYDIDSSAEE-BBWFWOEESA-N 1 0 410.559 2.530 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c(C)c1Cl ZINC000788683734 1077249941 /nfs/dbraw/zinc/24/99/41/1077249941.db2.gz ULIQGHGITXGEGH-UHFFFAOYSA-N 1 0 408.973 2.897 20 0 HFADRO COc1cc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1OCC(=O)N(C)C ZINC000788653473 1077253917 /nfs/dbraw/zinc/25/39/17/1077253917.db2.gz WZPKXZRCMUBFLG-OAHLLOKOSA-N 1 0 421.538 2.507 20 0 HFADRO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788660081 1077256548 /nfs/dbraw/zinc/25/65/48/1077256548.db2.gz AEJHJGURASDAFB-JKSUJKDBSA-N 1 0 411.568 2.767 20 0 HFADRO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788660073 1077256569 /nfs/dbraw/zinc/25/65/69/1077256569.db2.gz AEJHJGURASDAFB-CVEARBPZSA-N 1 0 411.568 2.767 20 0 HFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788666403 1077259748 /nfs/dbraw/zinc/25/97/48/1077259748.db2.gz ZIAFWDZVFRQKTG-MHTWAQMVSA-N 1 0 422.529 2.664 20 0 HFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788668290 1077260444 /nfs/dbraw/zinc/26/04/44/1077260444.db2.gz JGZWGPHLLUNQSB-INIZCTEOSA-N 1 0 408.907 2.600 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C ZINC000788669597 1077261844 /nfs/dbraw/zinc/26/18/44/1077261844.db2.gz DXGBGPFXWHEBDU-CHWSQXEVSA-N 1 0 402.333 2.750 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000746758248 1077263616 /nfs/dbraw/zinc/26/36/16/1077263616.db2.gz UYDJXAATRVUIRE-FXAWDEMLSA-N 1 0 418.538 2.847 20 0 HFADRO C[C@@H](Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788721239 1077271637 /nfs/dbraw/zinc/27/16/37/1077271637.db2.gz YQWWOSXWVLRRFG-GOSISDBHSA-N 1 0 418.582 2.980 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc(S(N)(=O)=O)ccc3Cl)cccc21 ZINC000791038265 1077279017 /nfs/dbraw/zinc/27/90/17/1077279017.db2.gz CLOFQPZXLZDTQV-MRXNPFEDSA-N 1 0 409.895 2.625 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc(S(N)(=O)=O)ccc3Cl)cccc21 ZINC000791038262 1077279041 /nfs/dbraw/zinc/27/90/41/1077279041.db2.gz CLOFQPZXLZDTQV-INIZCTEOSA-N 1 0 409.895 2.625 20 0 HFADRO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000788760702 1077279491 /nfs/dbraw/zinc/27/94/91/1077279491.db2.gz CGICTAUWHFLUMR-KBPBESRZSA-N 1 0 414.344 2.846 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cnc(Br)c(Cl)c2)CC1 ZINC000791048647 1077282873 /nfs/dbraw/zinc/28/28/73/1077282873.db2.gz BTSFNBIJEDSELR-UHFFFAOYSA-N 1 0 411.687 2.864 20 0 HFADRO C[C@@]1(CNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000791054012 1077284473 /nfs/dbraw/zinc/28/44/73/1077284473.db2.gz BGUIJWNEMCMNND-REWPJTCUSA-N 1 0 412.555 2.976 20 0 HFADRO CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788748710 1077289488 /nfs/dbraw/zinc/28/94/88/1077289488.db2.gz YWWKJEPVCCOLDE-NHCUHLMSSA-N 1 0 412.509 2.871 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]CCN2CC=CCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788806647 1077294104 /nfs/dbraw/zinc/29/41/04/1077294104.db2.gz OLFOSKXIHAAWPP-SFHVURJKSA-N 1 0 409.571 2.807 20 0 HFADRO CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000791124011 1077294301 /nfs/dbraw/zinc/29/43/01/1077294301.db2.gz LLPYESAAGQWYPX-UHFFFAOYSA-N 1 0 416.566 2.575 20 0 HFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788775474 1077297531 /nfs/dbraw/zinc/29/75/31/1077297531.db2.gz LBIRQRPDDBTWEZ-HOCLYGCPSA-N 1 0 409.452 2.622 20 0 HFADRO CON(C)C(=O)c1cccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)n1 ZINC001170148602 1077299127 /nfs/dbraw/zinc/29/91/27/1077299127.db2.gz OSZRHOVMQKYNGB-UHFFFAOYSA-N 1 0 419.489 2.625 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)CCN1C(=O)OC(C)(C)C ZINC000788779607 1077299322 /nfs/dbraw/zinc/29/93/22/1077299322.db2.gz XOYAOAGCTMPJRS-PKOBYXMFSA-N 1 0 404.507 2.695 20 0 HFADRO C[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000788787820 1077304237 /nfs/dbraw/zinc/30/42/37/1077304237.db2.gz SURQQXDDCFGHNP-SIKLNZKXSA-N 1 0 408.546 2.949 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccnn(CC4CC4)c3=O)nc3ccc(C)cc3n12 ZINC001170149262 1077307620 /nfs/dbraw/zinc/30/76/20/1077307620.db2.gz QIFPAHNFYZQSOO-UHFFFAOYSA-N 1 0 403.490 2.563 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCS(=O)(=O)CCc3ccccc3)C2)C1 ZINC000788822190 1077309256 /nfs/dbraw/zinc/30/92/56/1077309256.db2.gz JLPWHJLNXGNSAH-UHFFFAOYSA-N 1 0 408.564 2.633 20 0 HFADRO CC(C)C[C@@H](C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1)NC(=O)OC(C)(C)C ZINC000788844373 1077317758 /nfs/dbraw/zinc/31/77/58/1077317758.db2.gz XQNGQZOVQCGGSV-IBGZPJMESA-N 1 0 421.586 2.801 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000788852511 1077320171 /nfs/dbraw/zinc/32/01/71/1077320171.db2.gz HFQORQUBQQOSJK-KSZLIROESA-N 1 0 418.538 2.845 20 0 HFADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000788881171 1077328629 /nfs/dbraw/zinc/32/86/29/1077328629.db2.gz FQGYMANCFKDUOX-KRWDZBQOSA-N 1 0 415.987 2.831 20 0 HFADRO CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788886462 1077330663 /nfs/dbraw/zinc/33/06/63/1077330663.db2.gz NKKOCZVWUOGJLG-UHFFFAOYSA-N 1 0 413.543 2.784 20 0 HFADRO Cc1c(Cl)c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)sc1S(N)(=O)=O ZINC000791214242 1077347107 /nfs/dbraw/zinc/34/71/07/1077347107.db2.gz BWAVPHKYHAEHRP-ZDUSSCGKSA-N 1 0 415.968 2.698 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000788914639 1077351459 /nfs/dbraw/zinc/35/14/59/1077351459.db2.gz ZJAGNXWZUDIGLO-GHMZBOCLSA-N 1 0 410.765 2.896 20 0 HFADRO COC(=O)c1ccc(CS(=O)(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000788915952 1077353619 /nfs/dbraw/zinc/35/36/19/1077353619.db2.gz NKZAIMVFDJXDAM-UZLBHIALSA-N 1 0 404.532 2.892 20 0 HFADRO CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000788918855 1077355528 /nfs/dbraw/zinc/35/55/28/1077355528.db2.gz WUOXHNRFXYTXIZ-QFIPXVFZSA-N 1 0 415.559 2.828 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000788953765 1077361762 /nfs/dbraw/zinc/36/17/62/1077361762.db2.gz JZYCJAPNIWSYHB-SFHVURJKSA-N 1 0 400.523 2.671 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)N(CC[NH+](C)C)Cc3ccccn3)C2=O)c(C)c1 ZINC000788932818 1077367899 /nfs/dbraw/zinc/36/78/99/1077367899.db2.gz BUMPCAOLEJSCRH-NRFANRHFSA-N 1 0 423.561 2.886 20 0 HFADRO CCN1c2ccc(NC(=O)C(C)(C)C[NH+]3CCOCC3)cc2OCC(C)(C)C1=O ZINC001170154979 1077396534 /nfs/dbraw/zinc/39/65/34/1077396534.db2.gz GVJDVUAZAHOYEU-UHFFFAOYSA-N 1 0 403.523 2.755 20 0 HFADRO C[C@H](NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)c1ncnn1C ZINC000789084961 1077400196 /nfs/dbraw/zinc/40/01/96/1077400196.db2.gz CNPZZPRHUNVKAL-INIZCTEOSA-N 1 0 413.526 2.902 20 0 HFADRO COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000746787808 1077422712 /nfs/dbraw/zinc/42/27/12/1077422712.db2.gz JIPLQKVRYIKDKC-UHFFFAOYSA-N 1 0 409.914 2.646 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791467593 1077440528 /nfs/dbraw/zinc/44/05/28/1077440528.db2.gz OYMJEUDFLIWJTA-JTSKRJEESA-N 1 0 409.486 2.588 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2n[nH]c3c2CCCCC3)CC1 ZINC000789172410 1077442761 /nfs/dbraw/zinc/44/27/61/1077442761.db2.gz WBZBSKVXRNPVLZ-UHFFFAOYSA-N 1 0 424.545 2.878 20 0 HFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=S)NCCc3ccc(F)cc3)cc21 ZINC000789214429 1077446787 /nfs/dbraw/zinc/44/67/87/1077446787.db2.gz ZZTLGURVLOKCIF-UHFFFAOYSA-N 1 0 402.495 2.824 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)Cc2cccc(Cl)c2Cl)C1 ZINC000789246628 1077470978 /nfs/dbraw/zinc/47/09/78/1077470978.db2.gz VFEWUFWSKZEEDG-HNNXBMFYSA-N 1 0 417.333 2.552 20 0 HFADRO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000791564863 1077482098 /nfs/dbraw/zinc/48/20/98/1077482098.db2.gz AQKCFLWENQITQY-DFHVEKNXSA-N 1 0 407.923 2.975 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)C(F)(F)C2CCOCC2)CC1 ZINC000791598730 1077498302 /nfs/dbraw/zinc/49/83/02/1077498302.db2.gz WGMYINJLJWGSNX-UHFFFAOYSA-N 1 0 424.488 2.634 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000791600592 1077499793 /nfs/dbraw/zinc/49/97/93/1077499793.db2.gz CUDXSVYCVXECFO-UHFFFAOYSA-N 1 0 419.610 2.668 20 0 HFADRO CCn1c(CNC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)nc2ccccc21 ZINC000789353789 1077513882 /nfs/dbraw/zinc/51/38/82/1077513882.db2.gz YFBINEKCRRXQRU-GOSISDBHSA-N 1 0 421.501 2.696 20 0 HFADRO CCNC(=O)C[C@H]1CCCCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000789358614 1077516171 /nfs/dbraw/zinc/51/61/71/1077516171.db2.gz MSACCDYTKCNHPF-HXUWFJFHSA-N 1 0 402.608 2.906 20 0 HFADRO CC(C)[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791629581 1077519513 /nfs/dbraw/zinc/51/95/13/1077519513.db2.gz WSAQZNWWDZQHBO-QGZVFWFLSA-N 1 0 411.337 2.699 20 0 HFADRO CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000791710172 1077522430 /nfs/dbraw/zinc/52/24/30/1077522430.db2.gz IIGBCDXECGUCPP-MRXNPFEDSA-N 1 0 405.543 2.863 20 0 HFADRO COc1nc(Br)ccc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000789384293 1077531534 /nfs/dbraw/zinc/53/15/34/1077531534.db2.gz KNLXPIUCUILLSY-UHFFFAOYSA-N 1 0 424.299 2.510 20 0 HFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@H]1CCCO1 ZINC000789384194 1077531543 /nfs/dbraw/zinc/53/15/43/1077531543.db2.gz VVPQYYRGDFAJHT-WOJBJXKFSA-N 1 0 415.465 2.800 20 0 HFADRO O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000746805721 1077533110 /nfs/dbraw/zinc/53/31/10/1077533110.db2.gz DGIYRBKXKPSVCP-SJORKVTESA-N 1 0 401.429 2.814 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NC[C@@H](O)c3ccc(Cl)cc3)cccc21 ZINC000789371940 1077542716 /nfs/dbraw/zinc/54/27/16/1077542716.db2.gz PDFAUGQKZHXCDP-ZWKOTPCHSA-N 1 0 417.893 2.514 20 0 HFADRO COc1ccc(CN(C)C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1F ZINC000789370838 1077542821 /nfs/dbraw/zinc/54/28/21/1077542821.db2.gz VPQDFHNXKVMIMQ-SFHVURJKSA-N 1 0 415.465 2.817 20 0 HFADRO COC(=O)c1cc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1F ZINC000746810089 1077551168 /nfs/dbraw/zinc/55/11/68/1077551168.db2.gz BRJBYXRJJQZLJQ-QGZVFWFLSA-N 1 0 421.856 2.623 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000791753040 1077552695 /nfs/dbraw/zinc/55/26/95/1077552695.db2.gz XZUXDLPQSWLEKZ-JTHBVZDNSA-N 1 0 423.513 2.596 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791821763 1077562622 /nfs/dbraw/zinc/56/26/22/1077562622.db2.gz DHBOGDCSUWYIKE-WZONZLPQSA-N 1 0 423.513 2.835 20 0 HFADRO O=C(NOCc1ccc(C(F)(F)F)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000746806693 1077565320 /nfs/dbraw/zinc/56/53/20/1077565320.db2.gz XAFAOSMKVGGLMQ-UHFFFAOYSA-N 1 0 401.429 2.891 20 0 HFADRO COc1ccc([C@@H]2[C@H](COC(=O)CN3CCc4ccccc4C3=O)CC[N@@H+]2C)cc1 ZINC000789432710 1077570103 /nfs/dbraw/zinc/57/01/03/1077570103.db2.gz MGUPLLOJBDHBQT-WMZHIEFXSA-N 1 0 408.498 2.930 20 0 HFADRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000791828681 1077576947 /nfs/dbraw/zinc/57/69/47/1077576947.db2.gz OLUOFRYQFHNOSM-MRXNPFEDSA-N 1 0 406.935 2.995 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1)[N@H+](C)Cc1ccccc1 ZINC000746813790 1077578636 /nfs/dbraw/zinc/57/86/36/1077578636.db2.gz ZKCNPKHTTMISIX-KRWDZBQOSA-N 1 0 424.501 2.609 20 0 HFADRO Cc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)nnn1-c1cccc2ncccc21 ZINC000791884084 1077585466 /nfs/dbraw/zinc/58/54/66/1077585466.db2.gz KIWMMLFTXITKHU-UHFFFAOYSA-N 1 0 422.533 2.697 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CCSc2ccc3c(c2)OCCO3)CC1 ZINC000791929782 1077597706 /nfs/dbraw/zinc/59/77/06/1077597706.db2.gz IHZXGBOCVPYADQ-UHFFFAOYSA-N 1 0 408.564 2.899 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)OCc3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000791936874 1077599418 /nfs/dbraw/zinc/59/94/18/1077599418.db2.gz BMKUINXHXRPRKK-UHFFFAOYSA-N 1 0 402.516 2.589 20 0 HFADRO Cc1c(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cccc1NC(=O)N(C)C ZINC000791913574 1077607995 /nfs/dbraw/zinc/60/79/95/1077607995.db2.gz JAJKXPKDHNCTHG-KRWDZBQOSA-N 1 0 403.527 2.853 20 0 HFADRO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922699 1077612534 /nfs/dbraw/zinc/61/25/34/1077612534.db2.gz USMUKQFXFQWBCG-SCLBCKFNSA-N 1 0 408.428 2.640 20 0 HFADRO CCn1c2ccccc2n(CC(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)c1=O ZINC000791981274 1077621642 /nfs/dbraw/zinc/62/16/42/1077621642.db2.gz GPKHRWHXKXNLNK-ICSRJNTNSA-N 1 0 404.514 2.966 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000791982054 1077621965 /nfs/dbraw/zinc/62/19/65/1077621965.db2.gz ODUKSQXADHDSHX-XJABCFGWSA-N 1 0 404.514 2.573 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2)nn1 ZINC001170161742 1077657295 /nfs/dbraw/zinc/65/72/95/1077657295.db2.gz JFEKDLCQZHRLHO-UHFFFAOYSA-N 1 0 404.474 2.924 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[N@H+](C)C3CCCCC3)C2)c1 ZINC000792053104 1077659050 /nfs/dbraw/zinc/65/90/50/1077659050.db2.gz XIZDRAURLBJHKU-NRFANRHFSA-N 1 0 403.523 2.968 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000792052930 1077659486 /nfs/dbraw/zinc/65/94/86/1077659486.db2.gz FSOXAFQLHCEBOQ-QFIPXVFZSA-N 1 0 411.587 2.983 20 0 HFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000789557474 1077676052 /nfs/dbraw/zinc/67/60/52/1077676052.db2.gz IOYRCZDSTFLDAK-GOSISDBHSA-N 1 0 423.904 2.972 20 0 HFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000789559798 1077678601 /nfs/dbraw/zinc/67/86/01/1077678601.db2.gz DAAJMFPMKNFGKA-OAHLLOKOSA-N 1 0 418.291 2.748 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000792075986 1077683252 /nfs/dbraw/zinc/68/32/52/1077683252.db2.gz NMAHRROKJRNSEP-MRXNPFEDSA-N 1 0 414.591 2.821 20 0 HFADRO C[N@H+](CCCNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000792051670 1077694731 /nfs/dbraw/zinc/69/47/31/1077694731.db2.gz MLRNKNSRQIJGJQ-UHFFFAOYSA-N 1 0 410.603 2.700 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103015 1077697890 /nfs/dbraw/zinc/69/78/90/1077697890.db2.gz DQWCARLDSANTQV-HSALFYBXSA-N 1 0 422.614 2.793 20 0 HFADRO CC(C)[N@H+](C)CC1CCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792085473 1077708822 /nfs/dbraw/zinc/70/88/22/1077708822.db2.gz WFDGZHZNUUWOHB-UHFFFAOYSA-N 1 0 410.603 2.508 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1)c1ccco1 ZINC000792096857 1077713533 /nfs/dbraw/zinc/71/35/33/1077713533.db2.gz KIAJOHYYDJFOJM-GHTZIAJQSA-N 1 0 415.490 2.989 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)C2)c1 ZINC000792138023 1077719671 /nfs/dbraw/zinc/71/96/71/1077719671.db2.gz ZVWAIOFGASQYHQ-QFIPXVFZSA-N 1 0 411.502 2.835 20 0 HFADRO CCC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H](O)c1ccccc1 ZINC000792141371 1077720392 /nfs/dbraw/zinc/72/03/92/1077720392.db2.gz JTTJLUGHTWUNEL-LNRXMEIDSA-N 1 0 403.567 2.956 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000792150403 1077723446 /nfs/dbraw/zinc/72/34/46/1077723446.db2.gz QEUDZOCHBSZPMM-DHIUTWEWSA-N 1 0 420.557 2.999 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCC3([C@@H](O)c4ccccc4)CC3)cccc21 ZINC000789684921 1077725700 /nfs/dbraw/zinc/72/57/00/1077725700.db2.gz KBGPVKAXUDEQSI-FPOVZHCZSA-N 1 0 423.513 2.640 20 0 HFADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000746846659 1077728251 /nfs/dbraw/zinc/72/82/51/1077728251.db2.gz DTWFTPGSOSZFBB-NTXOQAPKSA-N 1 0 412.513 2.983 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCc2ccc3ncccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000789694343 1077731412 /nfs/dbraw/zinc/73/14/12/1077731412.db2.gz SFLRFTWOLJTTMB-RUZDIDTESA-N 1 0 416.525 2.879 20 0 HFADRO COC1(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC000792167022 1077732582 /nfs/dbraw/zinc/73/25/82/1077732582.db2.gz JZHBBCQMPJECQH-SFHVURJKSA-N 1 0 409.571 2.737 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(CC(C)C)C3CC[NH+](C)CC3)C2)c1 ZINC000792170470 1077733410 /nfs/dbraw/zinc/73/34/10/1077733410.db2.gz LDJAASYAHQPZER-NRFANRHFSA-N 1 0 403.523 2.776 20 0 HFADRO O=C(NC1CCC(O)(c2cccnc2)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792173567 1077734210 /nfs/dbraw/zinc/73/42/10/1077734210.db2.gz DGNZLGFRQNOQQH-AWTPEXQYSA-N 1 0 420.557 2.985 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C2)c1 ZINC000792193870 1077739997 /nfs/dbraw/zinc/73/99/97/1077739997.db2.gz KXVVKRFWLVEIAN-NRFANRHFSA-N 1 0 401.507 2.674 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CCC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000792206866 1077745585 /nfs/dbraw/zinc/74/55/85/1077745585.db2.gz CCXACPVWWBHISM-UHFFFAOYSA-N 1 0 422.614 2.843 20 0 HFADRO C[C@](O)(CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000792224118 1077750455 /nfs/dbraw/zinc/75/04/55/1077750455.db2.gz CRAMKAKNHMQWGX-VGSWGCGISA-N 1 0 403.473 2.994 20 0 HFADRO C[C@](O)(CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000792224114 1077750534 /nfs/dbraw/zinc/75/05/34/1077750534.db2.gz CRAMKAKNHMQWGX-JTSKRJEESA-N 1 0 403.473 2.994 20 0 HFADRO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000792228080 1077753058 /nfs/dbraw/zinc/75/30/58/1077753058.db2.gz RATFGAVSSCUIBM-BAGYTPMASA-N 1 0 411.550 2.540 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000792233602 1077756600 /nfs/dbraw/zinc/75/66/00/1077756600.db2.gz PHXBLWTTXGKPOM-GHTZIAJQSA-N 1 0 413.518 2.559 20 0 HFADRO CCc1csc(NC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)n1 ZINC000789762053 1077766016 /nfs/dbraw/zinc/76/60/16/1077766016.db2.gz SKXAAGOFPILTMO-UHFFFAOYSA-N 1 0 419.526 2.952 20 0 HFADRO COc1cccc([C@H](O)CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792279254 1077773001 /nfs/dbraw/zinc/77/30/01/1077773001.db2.gz UCWDHTGCVJNFME-LEOMRAHMSA-N 1 0 415.456 2.833 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3nc(C(C)C)cs3)cc2)CC1 ZINC000789749459 1077781166 /nfs/dbraw/zinc/78/11/66/1077781166.db2.gz PIHYJGFPDNWUIQ-UHFFFAOYSA-N 1 0 401.536 2.986 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(Cl)nc3C)cc2)CC1 ZINC000789749051 1077781191 /nfs/dbraw/zinc/78/11/91/1077781191.db2.gz IZIHLNIGXMOYFA-UHFFFAOYSA-N 1 0 401.898 2.763 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000789750782 1077782287 /nfs/dbraw/zinc/78/22/87/1077782287.db2.gz PPFJJDXRGRMVFX-KRWDZBQOSA-N 1 0 412.446 2.827 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000746851971 1077785589 /nfs/dbraw/zinc/78/55/89/1077785589.db2.gz CQGRXAUSWSIIBQ-KRWDZBQOSA-N 1 0 419.566 2.763 20 0 HFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000792305937 1077797560 /nfs/dbraw/zinc/79/75/60/1077797560.db2.gz MIKBNYITYTUNSF-STQMWFEESA-N 1 0 401.374 2.536 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)NCc3ccccc3OCC[NH+](C)C)c(=O)[nH]c21 ZINC000746856235 1077806159 /nfs/dbraw/zinc/80/61/59/1077806159.db2.gz VEZVSCRLMZZFSL-KTKRTIGZSA-N 1 0 423.517 2.576 20 0 HFADRO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792328271 1077809532 /nfs/dbraw/zinc/80/95/32/1077809532.db2.gz ZASHTROQVCIREZ-INIZCTEOSA-N 1 0 403.527 2.917 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000789836360 1077815092 /nfs/dbraw/zinc/81/50/92/1077815092.db2.gz KNRRUQRVVSCHFE-GOSISDBHSA-N 1 0 415.534 2.839 20 0 HFADRO COc1ccc(COC[C@@H](O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1OC ZINC000792388312 1077831451 /nfs/dbraw/zinc/83/14/51/1077831451.db2.gz DBDZKJVQPTXUQD-KRWDZBQOSA-N 1 0 420.481 2.659 20 0 HFADRO CN(C)c1ccc(NC(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792397116 1077833514 /nfs/dbraw/zinc/83/35/14/1077833514.db2.gz FIPHJQDGVLUXMV-UHFFFAOYSA-N 1 0 412.456 2.613 20 0 HFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3nc(Br)cs3)CC2)CC1 ZINC000792409444 1077841572 /nfs/dbraw/zinc/84/15/72/1077841572.db2.gz PSQRTTFDZAWQTA-UHFFFAOYSA-N 1 0 401.374 2.536 20 0 HFADRO C[C@H](OC(=O)c1nc2cccnc2s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792382076 1077845786 /nfs/dbraw/zinc/84/57/86/1077845786.db2.gz QLIPLTGPYICHJM-GOEBONIOSA-N 1 0 410.499 2.627 20 0 HFADRO C[C@@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000792463369 1077859257 /nfs/dbraw/zinc/85/92/57/1077859257.db2.gz HYVDDUMTICIVFY-OAHLLOKOSA-N 1 0 422.570 2.649 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cn1 ZINC000792465714 1077859701 /nfs/dbraw/zinc/85/97/01/1077859701.db2.gz NZXZSQVMZANFCP-UHFFFAOYSA-N 1 0 419.526 2.605 20 0 HFADRO CN(C(=O)c1ccc(NC(=O)c2ccn(CC(F)F)n2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000789961985 1077871957 /nfs/dbraw/zinc/87/19/57/1077871957.db2.gz QXKISEGEJBHHCB-INIZCTEOSA-N 1 0 405.449 2.567 20 0 HFADRO CC[C@@H](C)n1ncc(NC(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480341 1077876288 /nfs/dbraw/zinc/87/62/88/1077876288.db2.gz AHWPTSSZKIXAJG-ZBFHGGJFSA-N 1 0 408.547 2.835 20 0 HFADRO CCOC(=O)N1CCC[C@H](C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792555917 1077902203 /nfs/dbraw/zinc/90/22/03/1077902203.db2.gz PLHYGNVTFUWARN-JEYLPNPQSA-N 1 0 405.461 2.776 20 0 HFADRO CN(C[C@H]1CCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)OC(C)(C)C ZINC000790029844 1077903110 /nfs/dbraw/zinc/90/31/10/1077903110.db2.gz SSWSTEFORKNUQB-QGZVFWFLSA-N 1 0 411.568 2.768 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000790034123 1077905527 /nfs/dbraw/zinc/90/55/27/1077905527.db2.gz YZYWYRGVXYXHKL-FQEVSTJZSA-N 1 0 414.594 2.716 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1ccccc1I ZINC000792564673 1077912923 /nfs/dbraw/zinc/91/29/23/1077912923.db2.gz JQLLUNBMTBYGAZ-UHFFFAOYSA-N 1 0 421.194 2.734 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792579784 1077915786 /nfs/dbraw/zinc/91/57/86/1077915786.db2.gz XAWRCDPIIKWHDP-YYDVJCTNSA-N 1 0 417.525 2.926 20 0 HFADRO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC001626112242 1077917696 /nfs/dbraw/zinc/91/76/96/1077917696.db2.gz ZRRORUWMMGWWNH-HXUWFJFHSA-N 1 0 400.567 2.799 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)cc1 ZINC000790025199 1077918046 /nfs/dbraw/zinc/91/80/46/1077918046.db2.gz YZMOHZHKRHKRGC-OAHLLOKOSA-N 1 0 421.592 2.532 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)C[NH2+][C@H]3CC[C@@H](C)C3)ccc12 ZINC001170124842 1077918648 /nfs/dbraw/zinc/91/86/48/1077918648.db2.gz IFEODLQHAIIYAB-ALKREAHSSA-N 1 0 411.502 2.809 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)C1 ZINC001170264648 1077921397 /nfs/dbraw/zinc/92/13/97/1077921397.db2.gz UHNAMDNFXQPRQB-OTWHNJEPSA-N 1 0 405.587 2.992 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(=O)OC3CCC3)c(OC3CCC3)n2)O1 ZINC001170276714 1077923508 /nfs/dbraw/zinc/92/35/08/1077923508.db2.gz FVCPYPVXOHEZBX-HMFYCAOWSA-N 1 0 419.522 2.859 20 0 HFADRO C[NH+]1CC(CNc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)C1 ZINC001170253515 1077928146 /nfs/dbraw/zinc/92/81/46/1077928146.db2.gz MQGGADDQXYKHJV-UHFFFAOYSA-N 1 0 414.575 2.699 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000790051404 1077931516 /nfs/dbraw/zinc/93/15/16/1077931516.db2.gz PCQLMJLPQVFIBM-DLBZAZTESA-N 1 0 411.568 2.862 20 0 HFADRO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC001170300313 1077931815 /nfs/dbraw/zinc/93/18/15/1077931815.db2.gz NQCCNCVACINPEH-UHFFFAOYSA-N 1 0 421.541 2.577 20 0 HFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790055237 1077933777 /nfs/dbraw/zinc/93/37/77/1077933777.db2.gz YGYBULIAICONAC-IBGZPJMESA-N 1 0 414.594 2.524 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(-c3nc(-c4ccsc4)no3)ccn2)O1 ZINC001170278899 1077935063 /nfs/dbraw/zinc/93/50/63/1077935063.db2.gz SPVBBGLIHMNENE-SPYBWZPUSA-N 1 0 401.492 2.997 20 0 HFADRO O=C(N1C[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(Br)cc3)C[C@@H]2C1)C(F)(F)F ZINC001170280407 1077936169 /nfs/dbraw/zinc/93/61/69/1077936169.db2.gz DWSKETUBKHPCGV-GUTXKFCHSA-N 1 0 421.257 2.825 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001170283499 1077937230 /nfs/dbraw/zinc/93/72/30/1077937230.db2.gz MDKVIPHMGFKWBT-ZVEHZALQSA-N 1 0 402.926 2.666 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)O1 ZINC001170282511 1077937351 /nfs/dbraw/zinc/93/73/51/1077937351.db2.gz KTVRAKRKRSEIIM-VIZSFHNOSA-N 1 0 408.502 2.613 20 0 HFADRO NC(=O)CC[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCOc2ccccc21 ZINC001170290294 1077938770 /nfs/dbraw/zinc/93/87/70/1077938770.db2.gz JPYCOUWGVICQJS-JXFKEZNVSA-N 1 0 409.486 2.609 20 0 HFADRO C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790113628 1077941831 /nfs/dbraw/zinc/94/18/31/1077941831.db2.gz LYPQBBORPRPPOG-SUMWQHHRSA-N 1 0 403.918 2.859 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC001170384489 1077956603 /nfs/dbraw/zinc/95/66/03/1077956603.db2.gz BYUSUCKVTAEFFG-YSGRDPCXSA-N 1 0 420.579 2.887 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2cc[nH+]c(C)c2F)C1 ZINC001170376919 1077962511 /nfs/dbraw/zinc/96/25/11/1077962511.db2.gz GEIGXFGBVZUPTD-QKNQBKEWSA-N 1 0 421.513 2.703 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2cc(N)c(F)c[nH+]2)C1 ZINC001170377237 1077962624 /nfs/dbraw/zinc/96/26/24/1077962624.db2.gz IATDVDPASVCILW-NLWGTHIKSA-N 1 0 422.501 2.555 20 0 HFADRO CN(C)C(=O)C1([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCCCC1 ZINC001170377690 1077962912 /nfs/dbraw/zinc/96/29/12/1077962912.db2.gz RRPVRHIVBKPPAU-UHFFFAOYSA-N 1 0 417.369 2.604 20 0 HFADRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1C(F)(F)F ZINC000790162803 1077963183 /nfs/dbraw/zinc/96/31/83/1077963183.db2.gz MBZVGAJZMBCCQZ-LBPRGKRZSA-N 1 0 408.442 2.645 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001170402975 1077965506 /nfs/dbraw/zinc/96/55/06/1077965506.db2.gz UAYZTROZPROFLQ-PMACEKPBSA-N 1 0 411.477 2.563 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1cccc2nc([C@@H]3C[NH2+]CCO3)cn21 ZINC001170403854 1077965693 /nfs/dbraw/zinc/96/56/93/1077965693.db2.gz GDPFEUPXZYCPMR-HKUYNNGSSA-N 1 0 412.465 2.721 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001170404763 1077965869 /nfs/dbraw/zinc/96/58/69/1077965869.db2.gz PUKKPBHPYPFMIU-IBGZPJMESA-N 1 0 411.477 2.985 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)NS(=O)(=O)c1cc(C[C@@H](C)[NH3+])ccc1OC ZINC001170407071 1077966108 /nfs/dbraw/zinc/96/61/08/1077966108.db2.gz IUNVEHGMJYLPGH-PBHICJAKSA-N 1 0 420.531 2.613 20 0 HFADRO COc1ccc(Cl)cc1NC(=S)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000792670538 1077969639 /nfs/dbraw/zinc/96/96/39/1077969639.db2.gz YAQBHCPYNXOGQX-UHFFFAOYSA-N 1 0 405.955 2.982 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000790212543 1077971440 /nfs/dbraw/zinc/97/14/40/1077971440.db2.gz YMXSQMTWFJXVAZ-BHDDXSALSA-N 1 0 411.550 2.775 20 0 HFADRO [NH3+][C@H](CC(=O)N1C[C@H](F)C[C@H](CO)C1)Cc1ccc(OCc2ccccc2)cc1 ZINC001157731357 1077975104 /nfs/dbraw/zinc/97/51/04/1077975104.db2.gz UEWVTVLDKXOPIJ-HBMCJLEFSA-N 1 0 400.494 2.704 20 0 HFADRO O=c1oc2cc(F)c(Br)cc2n1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000792705318 1077978768 /nfs/dbraw/zinc/97/87/68/1077978768.db2.gz GAUAPVQCTPEEMH-UHFFFAOYSA-N 1 0 407.243 2.671 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792748422 1077983922 /nfs/dbraw/zinc/98/39/22/1077983922.db2.gz PGNAPTWBWHERCA-MRXNPFEDSA-N 1 0 408.486 2.825 20 0 HFADRO COCc1ncsc1C(=O)O[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792753248 1077985998 /nfs/dbraw/zinc/98/59/98/1077985998.db2.gz JMGUOMZQQDJSDF-OAHLLOKOSA-N 1 0 417.531 2.616 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC(c4cccnc4)=NO3)cc2)C[C@H](C)O1 ZINC000790288160 1077986150 /nfs/dbraw/zinc/98/61/50/1077986150.db2.gz FKZSGCOVNAPHHI-JKSBSHDWSA-N 1 0 408.502 2.500 20 0 HFADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@@H]1CC(c3cccnc3)=NO1)c1ccccc1O2 ZINC000790292811 1077987485 /nfs/dbraw/zinc/98/74/85/1077987485.db2.gz FFCDEEOICVXYAB-FPOVZHCZSA-N 1 0 406.486 2.679 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000790264731 1077989869 /nfs/dbraw/zinc/98/98/69/1077989869.db2.gz OQXDPOINYXVCPB-CGTJXYLNSA-N 1 0 409.452 2.764 20 0 HFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790267094 1077990932 /nfs/dbraw/zinc/99/09/32/1077990932.db2.gz LBSRWOUUKMHWIR-JXFKEZNVSA-N 1 0 401.532 2.518 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000790271754 1077992257 /nfs/dbraw/zinc/99/22/57/1077992257.db2.gz ASTWOURJPORYQH-CGTJXYLNSA-N 1 0 409.452 2.764 20 0 HFADRO C[C@H]1C[NH+](CCCNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000792790776 1077992378 /nfs/dbraw/zinc/99/23/78/1077992378.db2.gz DBIHWLMHVGDZRX-ROUUACIJSA-N 1 0 424.586 2.742 20 0 HFADRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790318681 1077996064 /nfs/dbraw/zinc/99/60/64/1077996064.db2.gz NZWABAKZDBMWFL-NMNUPHIUSA-N 1 0 414.594 2.702 20 0 HFADRO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746894189 1077997386 /nfs/dbraw/zinc/99/73/86/1077997386.db2.gz FXWUNTJUAUJRLI-JXAWBTAJSA-N 1 0 419.591 2.880 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C1CCCCC1 ZINC000790331083 1077998322 /nfs/dbraw/zinc/99/83/22/1077998322.db2.gz KRWBMGXOJOMHCU-OALUTQOASA-N 1 0 409.571 2.830 20 0 HFADRO C[NH+](C)C1(CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CCCCC1 ZINC000792816751 1078003835 /nfs/dbraw/zinc/00/38/35/1078003835.db2.gz OPJWTSGXSYDXEI-PMACEKPBSA-N 1 0 424.545 2.959 20 0 HFADRO COC(=O)c1csc(-c2cccc(CNC(=S)NC3CC[NH+](C)CC3)c2)n1 ZINC000790341974 1078007261 /nfs/dbraw/zinc/00/72/61/1078007261.db2.gz KJZCQAAGSXBANJ-UHFFFAOYSA-N 1 0 404.561 2.655 20 0 HFADRO CC(C)Oc1ncccc1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792831244 1078007471 /nfs/dbraw/zinc/00/74/71/1078007471.db2.gz AZVYNZIPCJWDBP-MJGOQNOKSA-N 1 0 411.502 2.805 20 0 HFADRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(Br)ccc1Br ZINC000790344944 1078008152 /nfs/dbraw/zinc/00/81/52/1078008152.db2.gz YHZYEDVHVWWXJX-VHSXEESVSA-N 1 0 403.118 2.963 20 0 HFADRO C[C@]1(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792857382 1078009670 /nfs/dbraw/zinc/00/96/70/1078009670.db2.gz YYTNHVMVVZAEIQ-JQVVWYNYSA-N 1 0 400.523 2.714 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000792857291 1078009809 /nfs/dbraw/zinc/00/98/09/1078009809.db2.gz YEPUKZRFLGVLNQ-UHFFFAOYSA-N 1 0 417.535 2.568 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000792866447 1078011384 /nfs/dbraw/zinc/01/13/84/1078011384.db2.gz GEPKSBKQFOGZHT-FUHWJXTLSA-N 1 0 400.585 2.923 20 0 HFADRO CN(Cc1ccc(Br)s1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790370115 1078016358 /nfs/dbraw/zinc/01/63/58/1078016358.db2.gz QZSSGPAAGFKBQZ-MRXNPFEDSA-N 1 0 400.342 2.817 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC(c2cccnc2)=NO1)[NH+]1CCCCC1 ZINC000790371258 1078016994 /nfs/dbraw/zinc/01/69/94/1078016994.db2.gz GMHMPEVNIXMFLQ-UNMCSNQZSA-N 1 0 408.502 2.927 20 0 HFADRO COc1ccc(OC)c(CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C2CC2)c1 ZINC000790372205 1078017412 /nfs/dbraw/zinc/01/74/12/1078017412.db2.gz YZTVZRUHBCLBLK-QFIPXVFZSA-N 1 0 401.507 2.542 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCc3c(Br)cccc3C1)C[NH+]1CCC2CC1 ZINC000790374761 1078017881 /nfs/dbraw/zinc/01/78/81/1078017881.db2.gz ZBSSIFTWVIWVFY-LJQANCHMSA-N 1 0 406.324 2.681 20 0 HFADRO CCOC(=O)c1ccn(-c2cccc(CNC(=O)NC[C@H](C)[NH+]3CCCCC3)c2)n1 ZINC000792892798 1078018292 /nfs/dbraw/zinc/01/82/92/1078018292.db2.gz GQOOUQZBSLJGHA-KRWDZBQOSA-N 1 0 413.522 2.723 20 0 HFADRO C[C@]12CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C[C@H]1C2(Cl)Cl ZINC000792902628 1078019546 /nfs/dbraw/zinc/01/95/46/1078019546.db2.gz LUPZFSZTCYEFKT-AEFFLSMTSA-N 1 0 418.409 2.653 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000792942313 1078022582 /nfs/dbraw/zinc/02/25/82/1078022582.db2.gz ZFRJCXQECZUYSO-JTAQYXEDSA-N 1 0 404.551 2.986 20 0 HFADRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1OC ZINC000792931181 1078027840 /nfs/dbraw/zinc/02/78/40/1078027840.db2.gz GWPAXHKJTCLCMK-SJORKVTESA-N 1 0 406.548 2.905 20 0 HFADRO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)CC1CCS(=O)(=O)CC1 ZINC000792931325 1078027934 /nfs/dbraw/zinc/02/79/34/1078027934.db2.gz QOGAOKUTQVDGFJ-UHFFFAOYSA-N 1 0 410.580 2.881 20 0 HFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000792930870 1078028174 /nfs/dbraw/zinc/02/81/74/1078028174.db2.gz CTWRTHIBIBUNKK-SFTDATJTSA-N 1 0 424.545 2.910 20 0 HFADRO COC(=O)N1CCC([NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000792932207 1078028239 /nfs/dbraw/zinc/02/82/39/1078028239.db2.gz NURFQXLFFHYDBU-UHFFFAOYSA-N 1 0 410.202 2.890 20 0 HFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790430240 1078028678 /nfs/dbraw/zinc/02/86/78/1078028678.db2.gz UZBXKZHFFNYFTA-WOJBJXKFSA-N 1 0 420.529 2.541 20 0 HFADRO C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790436773 1078030571 /nfs/dbraw/zinc/03/05/71/1078030571.db2.gz KFSGJJFFUAYDJH-XTQGRXLLSA-N 1 0 421.908 2.854 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1)OCc1ccccc1 ZINC000792951279 1078033437 /nfs/dbraw/zinc/03/34/37/1078033437.db2.gz QTNZMZIYOWCAOF-SFTDATJTSA-N 1 0 414.550 2.819 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[NH+](C4CCC4)CC3)c2ccc1Br ZINC000790447888 1078034648 /nfs/dbraw/zinc/03/46/48/1078034648.db2.gz WQJVVRGPBOBRKE-UHFFFAOYSA-N 1 0 407.312 2.713 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000790450821 1078035431 /nfs/dbraw/zinc/03/54/31/1078035431.db2.gz QBPLHBFJYVYMSX-CQSZACIVSA-N 1 0 423.348 2.996 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000747094677 1078035720 /nfs/dbraw/zinc/03/57/20/1078035720.db2.gz FCSBVPDTBVZQQO-XLIONFOSSA-N 1 0 412.490 2.869 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000792963081 1078036832 /nfs/dbraw/zinc/03/68/32/1078036832.db2.gz UWGQKOBDNDUSPP-LJQANCHMSA-N 1 0 417.550 2.563 20 0 HFADRO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000790470195 1078038495 /nfs/dbraw/zinc/03/84/95/1078038495.db2.gz IWTSOZXWCMSCST-HXUWFJFHSA-N 1 0 422.529 2.755 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC000790471165 1078038748 /nfs/dbraw/zinc/03/87/48/1078038748.db2.gz FYTMTEQDKAPUMB-UHFFFAOYSA-N 1 0 414.527 2.907 20 0 HFADRO COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)Nc3cccc(Cl)n3)CC2)cc1 ZINC000792970757 1078038946 /nfs/dbraw/zinc/03/89/46/1078038946.db2.gz XBXPSLGXEJMPOS-UHFFFAOYSA-N 1 0 416.909 2.711 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792981160 1078039777 /nfs/dbraw/zinc/03/97/77/1078039777.db2.gz QYUDMPFSLDXHGG-ZDUSSCGKSA-N 1 0 411.344 2.799 20 0 HFADRO COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000792990175 1078042180 /nfs/dbraw/zinc/04/21/80/1078042180.db2.gz QEAPOAOHVHUYGV-GGAORHGYSA-N 1 0 424.545 2.708 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(c3ccccc3)CC2)[C@H](C)C1 ZINC000806225168 1079507786 /nfs/dbraw/zinc/50/77/86/1079507786.db2.gz GMTGAUKSVXHLDP-DENIHFKCSA-N 1 0 415.578 2.646 20 0 HFADRO O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CC(O)(c2ccccc2)C1 ZINC000806257709 1079525384 /nfs/dbraw/zinc/52/53/84/1079525384.db2.gz OUYMNVPVUANUOP-UHFFFAOYSA-N 1 0 420.513 2.709 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001170503430 1079547489 /nfs/dbraw/zinc/54/74/89/1079547489.db2.gz NNKKECUNXMDIFG-SJLPKXTDSA-N 1 0 409.571 2.782 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CCC2 ZINC000806301773 1079554069 /nfs/dbraw/zinc/55/40/69/1079554069.db2.gz WLPUFMZQYKPKBU-QMMLZNLJSA-N 1 0 423.561 2.737 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806303678 1079556339 /nfs/dbraw/zinc/55/63/39/1079556339.db2.gz QGLFVRVJUSYJLV-UIFIKXQLSA-N 1 0 423.561 2.594 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000806308063 1079558843 /nfs/dbraw/zinc/55/88/43/1079558843.db2.gz LEDPLOSHOMUJJV-PKOBYXMFSA-N 1 0 406.527 2.608 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000806308946 1079561237 /nfs/dbraw/zinc/56/12/37/1079561237.db2.gz ZVSZHTTYNABYTG-YOEHRIQHSA-N 1 0 405.392 2.565 20 0 HFADRO COc1cccc([C@H](CNC(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)[NH+](C)C)c1 ZINC000806308770 1079561921 /nfs/dbraw/zinc/56/19/21/1079561921.db2.gz YASLDBJDUBJJIN-QUCCMNQESA-N 1 0 420.554 2.997 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806309387 1079563585 /nfs/dbraw/zinc/56/35/85/1079563585.db2.gz DVPGKUXDEIXEQH-PMACEKPBSA-N 1 0 402.539 2.960 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806309399 1079563972 /nfs/dbraw/zinc/56/39/72/1079563972.db2.gz FBOZWUWSVDPPPQ-WOJBJXKFSA-N 1 0 402.539 2.961 20 0 HFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC(O)(c2ccccc2)C1 ZINC000806318299 1079570601 /nfs/dbraw/zinc/57/06/01/1079570601.db2.gz NZINPIRDYKLXNK-UHFFFAOYSA-N 1 0 410.518 2.572 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)C1 ZINC000806290588 1079577119 /nfs/dbraw/zinc/57/71/19/1079577119.db2.gz MMGBPJZURCTXDZ-SFHVURJKSA-N 1 0 417.428 2.895 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)CCC2 ZINC000806295988 1079583821 /nfs/dbraw/zinc/58/38/21/1079583821.db2.gz VMYRHSWVNAOYPX-RTBURBONSA-N 1 0 415.513 2.516 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806297875 1079585847 /nfs/dbraw/zinc/58/58/47/1079585847.db2.gz BBADRRQIIRRWOI-WIYYLYMNSA-N 1 0 423.561 2.691 20 0 HFADRO CCCCC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321268 1079591894 /nfs/dbraw/zinc/59/18/94/1079591894.db2.gz SKUXKMQTQWIINT-WOJBJXKFSA-N 1 0 408.631 2.725 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000806376174 1079625994 /nfs/dbraw/zinc/62/59/94/1079625994.db2.gz YVAHAVNFTAQGEU-IBGZPJMESA-N 1 0 420.554 2.826 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)C(C)(C)C ZINC000806391047 1079641678 /nfs/dbraw/zinc/64/16/78/1079641678.db2.gz QAXINHMYNKUSRS-NUJGCVRESA-N 1 0 409.596 2.645 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000806370966 1079657972 /nfs/dbraw/zinc/65/79/72/1079657972.db2.gz NAYSEAVUZDKIND-HXUWFJFHSA-N 1 0 402.539 2.614 20 0 HFADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(C(N)=O)c(Cl)n1)c1ccccc1O2 ZINC000806415004 1079661371 /nfs/dbraw/zinc/66/13/71/1079661371.db2.gz YYZSPKNDBICWTC-INIZCTEOSA-N 1 0 414.893 2.552 20 0 HFADRO O=C(c1cc(Br)ncc1Cl)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000806434716 1079682103 /nfs/dbraw/zinc/68/21/03/1079682103.db2.gz SNICBKDEYLBNNN-GFCCVEGCSA-N 1 0 402.720 2.824 20 0 HFADRO O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000806404273 1079691471 /nfs/dbraw/zinc/69/14/71/1079691471.db2.gz FNPOEKBVTWGLNJ-FQEVSTJZSA-N 1 0 424.586 2.722 20 0 HFADRO CCCc1ccc(N2C[C@H](C(=O)N3CC[N@H+](CCOC)CC3(C)C)CC2=O)cc1 ZINC001130635760 1079726392 /nfs/dbraw/zinc/72/63/92/1079726392.db2.gz OLPKHOACXVIXNB-LJQANCHMSA-N 1 0 401.551 2.561 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)NCc3ccc(Cl)nc3)CC2)C1 ZINC000806460608 1079734540 /nfs/dbraw/zinc/73/45/40/1079734540.db2.gz KZMBKRYLQVLSTJ-MRXNPFEDSA-N 1 0 423.945 2.572 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)([NH+](C)C)C1 ZINC000806502917 1079753893 /nfs/dbraw/zinc/75/38/93/1079753893.db2.gz LACIUFHKYDQJHK-YXTQBTIXSA-N 1 0 424.586 2.576 20 0 HFADRO CCOC(=O)N1[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[C@@H]1c1ccc(C)o1 ZINC000747331844 1079753910 /nfs/dbraw/zinc/75/39/10/1079753910.db2.gz AZINEODKTNPITJ-RTBURBONSA-N 1 0 419.522 2.573 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000806502594 1079754413 /nfs/dbraw/zinc/75/44/13/1079754413.db2.gz HHDRPCVVXMJJKQ-VAMGGRTRSA-N 1 0 421.969 2.601 20 0 HFADRO CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000806474686 1079761356 /nfs/dbraw/zinc/76/13/56/1079761356.db2.gz DBUCQHBGWWENFG-BHIYHBOVSA-N 1 0 421.632 2.635 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000806538831 1079776841 /nfs/dbraw/zinc/77/68/41/1079776841.db2.gz VXAQOTFMUFPGHM-HXUWFJFHSA-N 1 0 402.539 2.819 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000806541148 1079778443 /nfs/dbraw/zinc/77/84/43/1079778443.db2.gz PEELSOSKMCYQGU-FQEVSTJZSA-N 1 0 424.586 2.720 20 0 HFADRO C[NH+](C)CCCCCCCNC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000806541578 1079780488 /nfs/dbraw/zinc/78/04/88/1079780488.db2.gz LLLBHRWLNXTSND-RBUKOAKNSA-N 1 0 416.566 2.717 20 0 HFADRO COC(=O)[C@]1(NC(=O)c2ccc3cccnc3n2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130660747 1079808032 /nfs/dbraw/zinc/80/80/32/1079808032.db2.gz NHLRWKNCQLPYDQ-QHCPKHFHSA-N 1 0 404.470 2.567 20 0 HFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000806596511 1079838042 /nfs/dbraw/zinc/83/80/42/1079838042.db2.gz YHZUNNGFJISILQ-YJBOKZPZSA-N 1 0 420.966 2.655 20 0 HFADRO O=C(N1CC[C@@H]2NC(=O)CC[C@@H]2C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001130690247 1079851533 /nfs/dbraw/zinc/85/15/33/1079851533.db2.gz KPXRPGILOAGOSC-UWVAXJGDSA-N 1 0 409.452 2.568 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000747342001 1079873576 /nfs/dbraw/zinc/87/35/76/1079873576.db2.gz JIVMWTSEYNLECZ-XPNTWCBSSA-N 1 0 404.514 2.973 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000747342029 1079874439 /nfs/dbraw/zinc/87/44/39/1079874439.db2.gz JRPXQWVMRIAYGZ-SFTDATJTSA-N 1 0 421.541 2.671 20 0 HFADRO Cc1cccn2cc(COc3ccc(C(=O)NC[C@H]4C[N@@H+]5CCC[C@H]5CO4)cc3)nc12 ZINC000747341899 1079875954 /nfs/dbraw/zinc/87/59/54/1079875954.db2.gz IPBLNLHOYOFCHO-UNMCSNQZSA-N 1 0 420.513 2.815 20 0 HFADRO COCCCOc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000806623528 1079880441 /nfs/dbraw/zinc/88/04/41/1079880441.db2.gz QEICOSAYCKOCON-LJQANCHMSA-N 1 0 421.538 2.875 20 0 HFADRO COC(=O)N1CCC[C@@H](NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000806682142 1079910274 /nfs/dbraw/zinc/91/02/74/1079910274.db2.gz CAZUIUPKSFMKIM-IEBWSBKVSA-N 1 0 406.527 2.607 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)c3cc(Br)ncc3Cl)CC2)CC1 ZINC000806708767 1079937726 /nfs/dbraw/zinc/93/77/26/1079937726.db2.gz BABSKAROXCHCKH-UHFFFAOYSA-N 1 0 415.763 2.786 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000806724619 1079948209 /nfs/dbraw/zinc/94/82/09/1079948209.db2.gz YTJPFKZFDVLQQR-YWZLYKJASA-N 1 0 410.518 2.877 20 0 HFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000806741287 1079949206 /nfs/dbraw/zinc/94/92/06/1079949206.db2.gz YPMJOVHLLFPACU-VGWMRTNUSA-N 1 0 406.493 2.594 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000806727001 1079951361 /nfs/dbraw/zinc/95/13/61/1079951361.db2.gz LBYWZLADWHNMDB-LEWJYISDSA-N 1 0 416.566 2.861 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000806727003 1079951378 /nfs/dbraw/zinc/95/13/78/1079951378.db2.gz LBYWZLADWHNMDB-RTWAWAEBSA-N 1 0 416.566 2.861 20 0 HFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806770728 1079989612 /nfs/dbraw/zinc/98/96/12/1079989612.db2.gz YXNRISZXNJQNDD-AQNXPRMDSA-N 1 0 424.586 2.720 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3ccc(OC(F)F)nc3)cc2)CC1 ZINC001130741962 1080004559 /nfs/dbraw/zinc/00/45/59/1080004559.db2.gz GKWCIKRFUSMIOS-UHFFFAOYSA-N 1 0 420.460 2.952 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000806788331 1080009642 /nfs/dbraw/zinc/00/96/42/1080009642.db2.gz UBQMENLTZZYYSC-AEFFLSMTSA-N 1 0 404.580 2.858 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000806788334 1080009698 /nfs/dbraw/zinc/00/96/98/1080009698.db2.gz UBQMENLTZZYYSC-WMZOPIPTSA-N 1 0 404.580 2.858 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000747359812 1080031059 /nfs/dbraw/zinc/03/10/59/1080031059.db2.gz KVYRHOFNMPCODR-LJQANCHMSA-N 1 0 411.550 2.723 20 0 HFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000806834680 1080047169 /nfs/dbraw/zinc/04/71/69/1080047169.db2.gz FQADHEJMZUPWAQ-OALUTQOASA-N 1 0 418.582 2.641 20 0 HFADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cnc(C2OCCO2)s1 ZINC000806835976 1080049071 /nfs/dbraw/zinc/04/90/71/1080049071.db2.gz SSDCTBDPGZYEFN-UHFFFAOYSA-N 1 0 403.504 2.593 20 0 HFADRO CN1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000806853099 1080058643 /nfs/dbraw/zinc/05/86/43/1080058643.db2.gz QIVCGHODBXWDRC-VQTJNVASSA-N 1 0 416.566 2.858 20 0 HFADRO C[C@@H](Oc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)C(F)(F)F ZINC000806856711 1080060607 /nfs/dbraw/zinc/06/06/07/1080060607.db2.gz JNCRTYMXBRHSBR-UONOGXRCSA-N 1 0 401.429 2.945 20 0 HFADRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000806866538 1080067203 /nfs/dbraw/zinc/06/72/03/1080067203.db2.gz KNQXFMXUISLKMQ-UHFFFAOYSA-N 1 0 403.523 2.997 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000806869569 1080070028 /nfs/dbraw/zinc/07/00/28/1080070028.db2.gz XKWWCQFAUWFSTK-IBGZPJMESA-N 1 0 409.530 2.881 20 0 HFADRO C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806888807 1080084543 /nfs/dbraw/zinc/08/45/43/1080084543.db2.gz LSFKXONSLKJLLB-CYBMUJFWSA-N 1 0 407.902 2.549 20 0 HFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000806918665 1080087823 /nfs/dbraw/zinc/08/78/23/1080087823.db2.gz GDLUHGKVXHRBEC-SECBINFHSA-N 1 0 406.683 2.781 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000806928579 1080096352 /nfs/dbraw/zinc/09/63/52/1080096352.db2.gz VHXWNDDIUSHSDU-HOJAQTOUSA-N 1 0 402.539 2.960 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000806903221 1080109815 /nfs/dbraw/zinc/10/98/15/1080109815.db2.gz OBKOELKNAIILNK-IBGZPJMESA-N 1 0 412.575 2.576 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000806910644 1080116517 /nfs/dbraw/zinc/11/65/17/1080116517.db2.gz ARJCXQUDLSQNMF-IBGZPJMESA-N 1 0 408.518 2.956 20 0 HFADRO C[C@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806964930 1080131658 /nfs/dbraw/zinc/13/16/58/1080131658.db2.gz HNGGZFMHVSEXHV-PKOBYXMFSA-N 1 0 409.530 2.879 20 0 HFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000806947812 1080156602 /nfs/dbraw/zinc/15/66/02/1080156602.db2.gz NRCUPTGCPDQOOO-MRXNPFEDSA-N 1 0 410.518 2.589 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000806953105 1080163553 /nfs/dbraw/zinc/16/35/53/1080163553.db2.gz HGWTUJVVJJYSCR-RLLQIKCJSA-N 1 0 402.539 2.960 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000806953775 1080163783 /nfs/dbraw/zinc/16/37/83/1080163783.db2.gz JNHGAPCYADPTEQ-GMBSWORKSA-N 1 0 413.440 2.786 20 0 HFADRO C[C@]12CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C[C@H]1C2(Cl)Cl ZINC000806992514 1080170864 /nfs/dbraw/zinc/17/08/64/1080170864.db2.gz USRBZXLXSZTBFQ-KONPQCLYSA-N 1 0 404.382 2.980 20 0 HFADRO C[C@]1(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C[NH+]2CCC1CC2 ZINC001130798634 1080185415 /nfs/dbraw/zinc/18/54/15/1080185415.db2.gz IPBQXQRQSQUUID-SFHVURJKSA-N 1 0 409.328 2.561 20 0 HFADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)cc2)C1 ZINC000806978907 1080187491 /nfs/dbraw/zinc/18/74/91/1080187491.db2.gz JAVCFNCAJSANQN-WMLDXEAASA-N 1 0 413.440 2.899 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)CC2)cc1Cl ZINC000807030385 1080224280 /nfs/dbraw/zinc/22/42/80/1080224280.db2.gz KUWZTDFOVOYINV-UHFFFAOYSA-N 1 0 422.017 2.760 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(COC)cc2)c1 ZINC000807064890 1080245999 /nfs/dbraw/zinc/24/59/99/1080245999.db2.gz XIFKZACQUQANMD-UHFFFAOYSA-N 1 0 412.490 2.691 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807084138 1080261745 /nfs/dbraw/zinc/26/17/45/1080261745.db2.gz MQUHNHFUOXLTCJ-HOJAQTOUSA-N 1 0 402.539 2.817 20 0 HFADRO C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC001130842429 1080276119 /nfs/dbraw/zinc/27/61/19/1080276119.db2.gz HHMCAUPVKZYBGY-IBGZPJMESA-N 1 0 413.543 2.651 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2ccc(N3CCOCC3)nc2)[NH+](C)C)cc1 ZINC000805276143 1080276239 /nfs/dbraw/zinc/27/62/39/1080276239.db2.gz SIBKDXUHYZDGPW-OAQYLSRUSA-N 1 0 412.534 2.738 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000807148315 1080304146 /nfs/dbraw/zinc/30/41/46/1080304146.db2.gz VIOYZLUQMVEYEF-PMACEKPBSA-N 1 0 402.539 2.817 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)ccn1 ZINC000807173838 1080327108 /nfs/dbraw/zinc/32/71/08/1080327108.db2.gz DEUIUWPLYGSTTN-OAQYLSRUSA-N 1 0 416.909 2.875 20 0 HFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cnc(C4OCCO4)s3)c2)CC1 ZINC000807181832 1080374482 /nfs/dbraw/zinc/37/44/82/1080374482.db2.gz XKQGKMFWTAENIL-UHFFFAOYSA-N 1 0 402.520 2.971 20 0 HFADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@H](c4ccccn4)C3)CC2)C1 ZINC001170519718 1080403466 /nfs/dbraw/zinc/40/34/66/1080403466.db2.gz RCEWYVQLASRNEB-FPOVZHCZSA-N 1 0 412.578 2.758 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCCC[C@H]3C3OCCO3)cc2)CC1 ZINC000807254215 1080411525 /nfs/dbraw/zinc/41/15/25/1080411525.db2.gz WIPCSCQNIHDBJO-FQEVSTJZSA-N 1 0 403.523 2.597 20 0 HFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCc4cc(C)c(C)cc43)cc2)CC1 ZINC000807308067 1080500926 /nfs/dbraw/zinc/50/09/26/1080500926.db2.gz JQJIHDCEDHCMRX-UHFFFAOYSA-N 1 0 420.557 2.969 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCc4cc(C)c(C)cc43)c2)CC1 ZINC000807309065 1080501938 /nfs/dbraw/zinc/50/19/38/1080501938.db2.gz YOKAWMJVRBQXGN-UHFFFAOYSA-N 1 0 406.530 2.973 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cc(NC(C)=O)c(F)cc1F)c1ccco1 ZINC000807310523 1080504902 /nfs/dbraw/zinc/50/49/02/1080504902.db2.gz LLTZPFIQCAAKNJ-DIFFPNOSSA-N 1 0 422.432 2.700 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1C)c1ccco1 ZINC000807310447 1080504918 /nfs/dbraw/zinc/50/49/18/1080504918.db2.gz IYEHBXDLGXEMKD-RISCZKNCSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)c1ccco1 ZINC000807310536 1080505343 /nfs/dbraw/zinc/50/53/43/1080505343.db2.gz LTGOTPLOQCQMFY-QWHCGFSZSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)c1ccco1 ZINC000807313374 1080507320 /nfs/dbraw/zinc/50/73/20/1080507320.db2.gz ZHHLSDUUVZZJLQ-GOEBONIOSA-N 1 0 413.453 2.789 20 0 HFADRO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000807354119 1080514442 /nfs/dbraw/zinc/51/44/42/1080514442.db2.gz FVCQZYBEPMZWKW-NVXWUHKLSA-N 1 0 401.507 2.620 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000807355177 1080516329 /nfs/dbraw/zinc/51/63/29/1080516329.db2.gz PJJXTSXSGRSCCE-LPHOPBHVSA-N 1 0 401.507 2.667 20 0 HFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1N1CCSCC1 ZINC000807355546 1080518505 /nfs/dbraw/zinc/51/85/05/1080518505.db2.gz RYVPIIPIVFKBGP-HKUYNNGSSA-N 1 0 416.591 2.572 20 0 HFADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000807357843 1080519580 /nfs/dbraw/zinc/51/95/80/1080519580.db2.gz JCUHDOLYVPIZFQ-DFNIBXOVSA-N 1 0 416.522 2.913 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000807334464 1080535285 /nfs/dbraw/zinc/53/52/85/1080535285.db2.gz ORKRUZKXHVSTBH-NDEPHWFRSA-N 1 0 419.469 2.587 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CSC[C@H]3C)cc2Cl)CC1 ZINC000807349909 1080555894 /nfs/dbraw/zinc/55/58/94/1080555894.db2.gz NYVGOVRYVKEESE-RHSMWYFYSA-N 1 0 424.998 2.678 20 0 HFADRO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1)C(C)C ZINC001130919819 1080556986 /nfs/dbraw/zinc/55/69/86/1080556986.db2.gz NXYWTUPAYPWHTI-IAGOWNOFSA-N 1 0 420.497 2.964 20 0 HFADRO Cc1csc([C@@H](C)CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000807350878 1080557007 /nfs/dbraw/zinc/55/70/07/1080557007.db2.gz VQVAQXTWHKORSH-KSFYIVLOSA-N 1 0 414.575 2.700 20 0 HFADRO CCOC(=O)C1=C(Nc2cnc(F)c(C(=O)NC)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522756 1080560070 /nfs/dbraw/zinc/56/00/70/1080560070.db2.gz SSPBGFVNCDTXJI-UHFFFAOYSA-N 1 0 412.465 2.715 20 0 HFADRO C[C@H](O)c1cc(NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)ccc1F ZINC000807396510 1080563291 /nfs/dbraw/zinc/56/32/91/1080563291.db2.gz IOBMTZBZLOODFX-HNNXBMFYSA-N 1 0 414.481 2.598 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000807364629 1080564382 /nfs/dbraw/zinc/56/43/82/1080564382.db2.gz VLOAOGQEKDUSQM-UHFFFAOYSA-N 1 0 424.501 2.758 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000805282342 1080580065 /nfs/dbraw/zinc/58/00/65/1080580065.db2.gz YGGMCDWUSPUURY-UHFFFAOYSA-N 1 0 413.559 2.803 20 0 HFADRO O=C(N[C@H](CCCO)c1ccccc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807431664 1080591260 /nfs/dbraw/zinc/59/12/60/1080591260.db2.gz HWOCXESMTAJOKG-XVAXZDLZSA-N 1 0 401.551 2.530 20 0 HFADRO C[C@H](O)c1cc(NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1F ZINC000807399908 1080595254 /nfs/dbraw/zinc/59/52/54/1080595254.db2.gz OTQRNBBGBGCXEJ-SGTLLEGYSA-N 1 0 401.438 2.841 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)[NH+](C)C ZINC000807406391 1080599773 /nfs/dbraw/zinc/59/97/73/1080599773.db2.gz MLPIGBDMNHNALU-IZZBFERCSA-N 1 0 413.566 2.875 20 0 HFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)[NH+](C)C ZINC000807407024 1080601857 /nfs/dbraw/zinc/60/18/57/1080601857.db2.gz HLGDAWZUCITEFN-JRGCBEDISA-N 1 0 413.566 2.875 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@H](O)c2nccn2C)CC1)[NH+](C)C ZINC000807407026 1080601873 /nfs/dbraw/zinc/60/18/73/1080601873.db2.gz HLGDAWZUCITEFN-YYWHXJBOSA-N 1 0 413.566 2.875 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3ccc4[nH]c(C)cc4c3)cc2)CC1 ZINC000807414395 1080610499 /nfs/dbraw/zinc/61/04/99/1080610499.db2.gz CEJLSCFLLOBUJO-UHFFFAOYSA-N 1 0 419.529 2.873 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000807454280 1080634117 /nfs/dbraw/zinc/63/41/17/1080634117.db2.gz USHVUCLFASUNHE-YJBOKZPZSA-N 1 0 404.942 2.964 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000807454277 1080634151 /nfs/dbraw/zinc/63/41/51/1080634151.db2.gz USHVUCLFASUNHE-MAUKXSAKSA-N 1 0 404.942 2.964 20 0 HFADRO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000807453872 1080634215 /nfs/dbraw/zinc/63/42/15/1080634215.db2.gz PCFNKRSSBPJMOS-BEFAXECRSA-N 1 0 401.507 2.620 20 0 HFADRO C[N@@H+]1CCCN(C(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000807438894 1080659648 /nfs/dbraw/zinc/65/96/48/1080659648.db2.gz FXSQEVAVVXFLGU-IBGZPJMESA-N 1 0 402.539 2.868 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(SC(F)F)nc1)c1ccc(F)cc1 ZINC000807486451 1080668826 /nfs/dbraw/zinc/66/88/26/1080668826.db2.gz REABVMSNVCZJFN-AWEZNQCLSA-N 1 0 412.437 2.893 20 0 HFADRO CN(C)c1ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1Cl ZINC000807486597 1080670538 /nfs/dbraw/zinc/67/05/38/1080670538.db2.gz JHVOZTLNOJFYJB-QGZVFWFLSA-N 1 0 406.889 2.903 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1F ZINC000807486550 1080670567 /nfs/dbraw/zinc/67/05/67/1080670567.db2.gz SGFSVOFSHGUQHT-QGZVFWFLSA-N 1 0 420.416 2.501 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000807491545 1080681810 /nfs/dbraw/zinc/68/18/10/1080681810.db2.gz SHDLITQVSFIEOO-UHFFFAOYSA-N 1 0 404.511 2.509 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)C1 ZINC000807496176 1080689417 /nfs/dbraw/zinc/68/94/17/1080689417.db2.gz JADMDELLSGGBCR-NMMYMHLASA-N 1 0 415.578 2.513 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000807496010 1080690212 /nfs/dbraw/zinc/69/02/12/1080690212.db2.gz HYQSOPOPKPJNAT-XMMPIXPASA-N 1 0 415.578 2.515 20 0 HFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807500291 1080696999 /nfs/dbraw/zinc/69/69/99/1080696999.db2.gz VHNXYCPRLLSENK-CJFMBICVSA-N 1 0 423.557 2.523 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000807499551 1080698614 /nfs/dbraw/zinc/69/86/14/1080698614.db2.gz PDKYELSSRWGIKA-DEOSSOPVSA-N 1 0 415.578 2.515 20 0 HFADRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000807513474 1080720239 /nfs/dbraw/zinc/72/02/39/1080720239.db2.gz CHZAJJJDCAYGSF-MBSDFSHPSA-N 1 0 412.534 2.792 20 0 HFADRO C[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC(c2ccccc2Cl)=NO1 ZINC000807484111 1080739117 /nfs/dbraw/zinc/73/91/17/1080739117.db2.gz GTHONUFGXLXNGH-IIBYNOLFSA-N 1 0 405.926 2.794 20 0 HFADRO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000807543083 1080758811 /nfs/dbraw/zinc/75/88/11/1080758811.db2.gz IQNWHOLAQNIUCW-UWJYYQICSA-N 1 0 423.513 2.510 20 0 HFADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000807542860 1080759298 /nfs/dbraw/zinc/75/92/98/1080759298.db2.gz FVTDJTTYNGMSJB-BBRMVZONSA-N 1 0 417.307 2.562 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000807547093 1080763626 /nfs/dbraw/zinc/76/36/26/1080763626.db2.gz XBNNWQBTNHFTAA-LPTQZCDUSA-N 1 0 411.933 2.560 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C[C@@H]1C ZINC000747400981 1080778577 /nfs/dbraw/zinc/77/85/77/1080778577.db2.gz BAQDDVVHMANWSX-DOTOQJQBSA-N 1 0 417.579 2.964 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807582543 1080793628 /nfs/dbraw/zinc/79/36/28/1080793628.db2.gz PEFRXTNLRQBMCW-YJBOKZPZSA-N 1 0 420.966 2.954 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000807557442 1080807704 /nfs/dbraw/zinc/80/77/04/1080807704.db2.gz BHFREHBRDDKTLG-KBXCAEBGSA-N 1 0 420.966 2.920 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000807558046 1080809846 /nfs/dbraw/zinc/80/98/46/1080809846.db2.gz QXXXZAFXENZZBJ-KRWDZBQOSA-N 1 0 414.937 2.783 20 0 HFADRO CCN(C(=O)C(=O)NCc1cc(C)cc(Cl)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807557639 1080810248 /nfs/dbraw/zinc/81/02/48/1080810248.db2.gz FMIBEKKCBMKTDW-IBGZPJMESA-N 1 0 414.937 2.783 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807558754 1080812980 /nfs/dbraw/zinc/81/29/80/1080812980.db2.gz GPPVPMGPCAIGCD-SJLPKXTDSA-N 1 0 414.937 2.686 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000807559825 1080815022 /nfs/dbraw/zinc/81/50/22/1080815022.db2.gz WJHCXXLWZCSSCV-QGZVFWFLSA-N 1 0 406.958 2.774 20 0 HFADRO CCOc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000553454590 1126096984 /nfs/dbraw/zinc/09/69/84/1126096984.db2.gz LPUALLQFSVYFEX-KRWDZBQOSA-N 1 0 412.530 2.560 20 0 HFADRO O=S(=O)(c1ccccc1)n1c(C[NH2+][C@@H](CO)Cc2ccccc2)cc2cccnc21 ZINC000820886024 1126111047 /nfs/dbraw/zinc/11/10/47/1126111047.db2.gz GJYOHDHOCYDMJZ-HXUWFJFHSA-N 1 0 421.522 2.967 20 0 HFADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001203422250 1126158853 /nfs/dbraw/zinc/15/88/53/1126158853.db2.gz QUMUFSYPKUXCCG-KRWDZBQOSA-N 1 0 403.331 2.724 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001308037632 1126162486 /nfs/dbraw/zinc/16/24/86/1126162486.db2.gz FJWWGKQELYCQNG-ZWKOTPCHSA-N 1 0 416.465 2.561 20 0 HFADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001308040330 1126162952 /nfs/dbraw/zinc/16/29/52/1126162952.db2.gz UMWNNBLMIOPJPF-HZPDHXFCSA-N 1 0 422.856 2.612 20 0 HFADRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001460858140 1126192115 /nfs/dbraw/zinc/19/21/15/1126192115.db2.gz AEBOCKUBJYENKJ-IBGZPJMESA-N 1 0 412.939 2.801 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC001460696799 1126191903 /nfs/dbraw/zinc/19/19/03/1126191903.db2.gz QGZJADJWIIMUQY-ROUUACIJSA-N 1 0 416.465 2.561 20 0 HFADRO Cn1cc(-c2cc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)on2)cn1 ZINC001560183393 1126209099 /nfs/dbraw/zinc/20/90/99/1126209099.db2.gz OFOCJDZVZJXXKG-SFHVURJKSA-N 1 0 405.296 2.921 20 0 HFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001560615616 1126213874 /nfs/dbraw/zinc/21/38/74/1126213874.db2.gz WFZXOUSZZOETIO-QHLBDZCJSA-N 1 0 419.319 2.710 20 0 HFADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423825 718918229 /nfs/dbraw/zinc/91/82/29/718918229.db2.gz JWXPZGSGCWFTOX-LJQANCHMSA-N 1 0 424.879 2.927 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)nc1)C2 ZINC001164617791 719007792 /nfs/dbraw/zinc/00/77/92/719007792.db2.gz PUGDIHQEHZQZFR-KDOFPFPSSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccnc(Cl)n3)CC2)CC1 ZINC001164615319 719020845 /nfs/dbraw/zinc/02/08/45/719020845.db2.gz IHGVMMZRMILWTA-UHFFFAOYSA-N 1 0 402.873 2.919 20 0 HFADRO CCOC(=O)c1cc(F)cnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614372 719022851 /nfs/dbraw/zinc/02/28/51/719022851.db2.gz RVHGGHIAHFEUMY-UHFFFAOYSA-N 1 0 407.486 2.641 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(N4CCCCC4)n3)CC2)CC1 ZINC001164618016 719029231 /nfs/dbraw/zinc/02/92/31/719029231.db2.gz ULWXRLFTZOZFEQ-UHFFFAOYSA-N 1 0 401.555 2.711 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(-c4cccnc4F)n3)CC2)CC1 ZINC001164617968 719029439 /nfs/dbraw/zinc/02/94/39/719029439.db2.gz SUSDJIGWPXBSGJ-UHFFFAOYSA-N 1 0 413.497 2.922 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc(-c4cccc(F)c4)n3)CC2)CC1 ZINC001164618133 719032472 /nfs/dbraw/zinc/03/24/72/719032472.db2.gz SUXHRCZMTJYKEG-UHFFFAOYSA-N 1 0 413.497 2.922 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccnc(-c4nccs4)n3)CC2)CC1 ZINC001164618596 719035246 /nfs/dbraw/zinc/03/52/46/719035246.db2.gz VDFSCQVCPRVVOV-UHFFFAOYSA-N 1 0 401.536 2.844 20 0 HFADRO COC(=O)c1cc2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2n1C ZINC001164629194 719095207 /nfs/dbraw/zinc/09/52/07/719095207.db2.gz RAPJFXFAAHKBQX-PXNSSMCTSA-N 1 0 405.502 2.856 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164634856 719227335 /nfs/dbraw/zinc/22/73/35/719227335.db2.gz HTXKZJIPKJRZJC-ZIAGYGMSSA-N 1 0 419.938 2.851 20 0 HFADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4O[C@H](c5nc(C6CC6)cs5)C[C@H]4C3)nn2)CC1 ZINC001164646182 719287647 /nfs/dbraw/zinc/28/76/47/719287647.db2.gz NJJMDURBNIUWIF-SZMVWBNQSA-N 1 0 412.563 2.529 20 0 HFADRO Cc1nnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1C ZINC001164685620 719681731 /nfs/dbraw/zinc/68/17/31/719681731.db2.gz LHNJNTFSPUQSDI-IBGZPJMESA-N 1 0 422.577 2.582 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3sc4c(c31)CC[C@H](C)C4)CC2 ZINC001164685960 719717312 /nfs/dbraw/zinc/71/73/12/719717312.db2.gz OAANYIIYWHMPBG-HNNXBMFYSA-N 1 0 413.591 2.997 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164690014 719738053 /nfs/dbraw/zinc/73/80/53/719738053.db2.gz ORIRMOKEESOHDB-UHFFFAOYSA-N 1 0 403.527 2.609 20 0 HFADRO CCN(c1ccccc1)c1cc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)ncn1 ZINC001164689407 719749887 /nfs/dbraw/zinc/74/98/87/719749887.db2.gz FPILGTKSDLGRND-UHFFFAOYSA-N 1 0 408.550 2.815 20 0 HFADRO CCNC(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164696642 719897512 /nfs/dbraw/zinc/89/75/12/719897512.db2.gz GLQILGMOKPYYKK-UHFFFAOYSA-N 1 0 400.548 2.764 20 0 HFADRO CCOC(=O)c1cnc(SC)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807867 720070884 /nfs/dbraw/zinc/07/08/84/720070884.db2.gz GFJUJJNRMUDSKK-HRAATJIYSA-N 1 0 420.579 2.560 20 0 HFADRO CCNC(=O)c1cccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164718607 720127332 /nfs/dbraw/zinc/12/73/32/720127332.db2.gz TULASVZPRUWLSE-HXUWFJFHSA-N 1 0 423.561 2.734 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)C2 ZINC001164808086 720133165 /nfs/dbraw/zinc/13/31/65/720133165.db2.gz DLONKKLOWHVFIE-RDPSFJRHSA-N 1 0 422.577 2.789 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3onc(C)c31)CC2 ZINC001164711728 720149905 /nfs/dbraw/zinc/14/99/05/720149905.db2.gz INHFQZNFFDRULD-GOSISDBHSA-N 1 0 408.506 2.829 20 0 HFADRO COc1ccc2cnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)cc2c1 ZINC001164717170 720190765 /nfs/dbraw/zinc/19/07/65/720190765.db2.gz UAHAAHZYGLISQT-NRFANRHFSA-N 1 0 422.533 2.588 20 0 HFADRO CC(C)c1c(Cl)ncnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718479 720203509 /nfs/dbraw/zinc/20/35/09/720203509.db2.gz ZSIGHWQZCOYHMR-INIZCTEOSA-N 1 0 419.961 2.598 20 0 HFADRO Cc1nc2cc(F)ccc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164812813 720217476 /nfs/dbraw/zinc/21/74/76/720217476.db2.gz JDLHZEKOQXXNLE-UHFFFAOYSA-N 1 0 410.497 2.885 20 0 HFADRO CCOc1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164812593 720221682 /nfs/dbraw/zinc/22/16/82/720221682.db2.gz GWHLESLFTWZTAM-UHFFFAOYSA-N 1 0 405.930 2.941 20 0 HFADRO Cc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164820876 720285490 /nfs/dbraw/zinc/28/54/90/720285490.db2.gz YKVLYFHBCBSRRO-OALUTQOASA-N 1 0 400.571 2.517 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc3nc[nH]c32)CC1 ZINC001164824551 720314420 /nfs/dbraw/zinc/31/44/20/720314420.db2.gz RMASWPOCXNXHQR-HUUCEWRRSA-N 1 0 402.930 2.523 20 0 HFADRO CCc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)nc1C ZINC001164828834 720354668 /nfs/dbraw/zinc/35/46/68/720354668.db2.gz QHDXQESHONNHOV-ROUUACIJSA-N 1 0 405.974 2.912 20 0 HFADRO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729517 720481494 /nfs/dbraw/zinc/48/14/94/720481494.db2.gz RJOFUQCDKLDNDR-ZACQAIPSSA-N 1 0 401.898 2.546 20 0 HFADRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1C(=O)OCC ZINC001164722470 720485379 /nfs/dbraw/zinc/48/53/79/720485379.db2.gz AUGNSJSYWYUDOC-RBUKOAKNSA-N 1 0 424.501 2.683 20 0 HFADRO CCOC(=O)Cc1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835712 720517833 /nfs/dbraw/zinc/51/78/33/720517833.db2.gz KGHUFSNPYNKZND-PCCBWWKXSA-N 1 0 411.550 2.762 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)nc(Oc3cccc(F)c3)n2)C1 ZINC001164726248 720519489 /nfs/dbraw/zinc/51/94/89/720519489.db2.gz BSSVVCNJECFLJG-CYBMUJFWSA-N 1 0 417.876 2.851 20 0 HFADRO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nn1 ZINC001164840063 720520499 /nfs/dbraw/zinc/52/04/99/720520499.db2.gz WFPHCMCYYNBKIR-NLWGTHIKSA-N 1 0 412.538 2.616 20 0 HFADRO COC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1F ZINC001164833767 720525803 /nfs/dbraw/zinc/52/58/03/720525803.db2.gz DQJRANIAQQNKPN-TXPKVOOTSA-N 1 0 401.486 2.582 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3ncn4C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836399 720528624 /nfs/dbraw/zinc/52/86/24/720528624.db2.gz JYHTYSYNXCLFSS-HRCADAONSA-N 1 0 414.945 2.591 20 0 HFADRO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841459 720545351 /nfs/dbraw/zinc/54/53/51/720545351.db2.gz VYKRDUSTAPSBJK-FUHIMQAGSA-N 1 0 415.513 2.890 20 0 HFADRO CC1(C)OCc2c1nc(Cl)nc2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733726 720557078 /nfs/dbraw/zinc/55/70/78/720557078.db2.gz QMBDCYWFXRIBRX-UHFFFAOYSA-N 1 0 402.930 2.750 20 0 HFADRO CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836814 720561154 /nfs/dbraw/zinc/56/11/54/720561154.db2.gz LGBTWRIVXALKGH-CEXWTWQISA-N 1 0 412.586 2.635 20 0 HFADRO CNC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1Cl ZINC001164837387 720562914 /nfs/dbraw/zinc/56/29/14/720562914.db2.gz MEROHIVKAOCHPD-LZLYRXPVSA-N 1 0 416.957 2.669 20 0 HFADRO CCOC(=O)c1cc2cccnc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727041 720563813 /nfs/dbraw/zinc/56/38/13/720563813.db2.gz AONXIHHRLHOAEX-UHFFFAOYSA-N 1 0 420.517 2.662 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ncn4C3CC3)CC[C@@H]21 ZINC001164841509 720611264 /nfs/dbraw/zinc/61/12/64/720611264.db2.gz SLFWPBNIWCNRHZ-WDSOQIARSA-N 1 0 406.538 2.736 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C(N)=O)cc4ccccc43)CC[C@@H]21 ZINC001164842215 720616955 /nfs/dbraw/zinc/61/69/55/720616955.db2.gz UQFOKAWQCCKYCH-DXIQSLLYSA-N 1 0 418.545 2.908 20 0 HFADRO Fc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164738130 720630092 /nfs/dbraw/zinc/63/00/92/720630092.db2.gz AJKUNXLIIJFRLD-KGLIPLIRSA-N 1 0 400.845 2.554 20 0 HFADRO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838215 720645659 /nfs/dbraw/zinc/64/56/59/720645659.db2.gz GIFYUTCIILOZMT-PCCBWWKXSA-N 1 0 411.550 2.762 20 0 HFADRO Cc1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164740079 720664705 /nfs/dbraw/zinc/66/47/05/720664705.db2.gz PPCKHFBNVAJARI-OLZOCXBDSA-N 1 0 402.911 2.785 20 0 HFADRO Cc1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164740080 720665483 /nfs/dbraw/zinc/66/54/83/720665483.db2.gz PPCKHFBNVAJARI-QWHCGFSZSA-N 1 0 402.911 2.785 20 0 HFADRO CCOC(=O)Cc1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839754 720696077 /nfs/dbraw/zinc/69/60/77/720696077.db2.gz BOPNVHDYWDUFET-NRFANRHFSA-N 1 0 424.545 2.842 20 0 HFADRO Clc1ncc(-c2ccccc2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737575 720702198 /nfs/dbraw/zinc/70/21/98/720702198.db2.gz GJBFLGKVYKCXTM-IAGOWNOFSA-N 1 0 408.893 2.929 20 0 HFADRO Clc1ccc2[nH]c3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c3c2c1 ZINC001164741621 720750092 /nfs/dbraw/zinc/75/00/92/720750092.db2.gz MTTDGQYHUYGZES-LSDHHAIUSA-N 1 0 421.892 2.896 20 0 HFADRO Clc1ccc2[nH]c3ncnc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3c2c1 ZINC001164741609 720750330 /nfs/dbraw/zinc/75/03/30/720750330.db2.gz MTTDGQYHUYGZES-HUUCEWRRSA-N 1 0 421.892 2.896 20 0 HFADRO Fc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164748301 720791907 /nfs/dbraw/zinc/79/19/07/720791907.db2.gz QNPKPPMBMQQWAK-KGLIPLIRSA-N 1 0 400.845 2.554 20 0 HFADRO Fc1ccc2nc(C(F)F)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744224 720800298 /nfs/dbraw/zinc/80/02/98/720800298.db2.gz IBYDIQUZSRVCIW-UONOGXRCSA-N 1 0 416.407 2.838 20 0 HFADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164751209 720800624 /nfs/dbraw/zinc/80/06/24/720800624.db2.gz XLOBUQXKEAQENY-HOTGVXAUSA-N 1 0 402.930 2.769 20 0 HFADRO Fc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743349 720815101 /nfs/dbraw/zinc/81/51/01/720815101.db2.gz FGDPWKDWMXXHDP-YRISNDGFSA-N 1 0 407.497 2.740 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743853 720816231 /nfs/dbraw/zinc/81/62/31/720816231.db2.gz SVYMPGCXZKKVCI-ZMSDIMECSA-N 1 0 419.986 2.823 20 0 HFADRO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738413 720816940 /nfs/dbraw/zinc/81/69/40/720816940.db2.gz FQDRBGSIONQAFM-DJIMGWMZSA-N 1 0 423.899 2.646 20 0 HFADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738388 720817326 /nfs/dbraw/zinc/81/73/26/720817326.db2.gz FENXMROIRXSZSU-HRCADAONSA-N 1 0 423.899 2.646 20 0 HFADRO Clc1nc2cnccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739845 720821497 /nfs/dbraw/zinc/82/14/97/720821497.db2.gz JBZIHSGSQYZXGL-FRQCXROJSA-N 1 0 424.940 2.649 20 0 HFADRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164738832 720825262 /nfs/dbraw/zinc/82/52/62/720825262.db2.gz GWSPLVZROSJPNM-WOIUINJBSA-N 1 0 403.534 2.909 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743995 720828458 /nfs/dbraw/zinc/82/84/58/720828458.db2.gz TVUZPRUGUUMLSG-NJNPRVFISA-N 1 0 419.533 2.609 20 0 HFADRO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737671 720829120 /nfs/dbraw/zinc/82/91/20/720829120.db2.gz BRNKGOYZVGMZNA-DJIMGWMZSA-N 1 0 423.899 2.646 20 0 HFADRO Cc1[nH]c2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1C ZINC001164737382 720830881 /nfs/dbraw/zinc/83/08/81/720830881.db2.gz AQDANPSLYDOKDO-CEXWTWQISA-N 1 0 406.538 2.546 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ncc2c1 ZINC001164742083 720831423 /nfs/dbraw/zinc/83/14/23/720831423.db2.gz PRVRBNSQPJTESM-NNMXDRDESA-N 1 0 419.533 2.609 20 0 HFADRO COc1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739347 720832961 /nfs/dbraw/zinc/83/29/61/720832961.db2.gz AAVBSKWGVRNVOJ-YESZJQIVSA-N 1 0 402.930 2.715 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164747790 720834075 /nfs/dbraw/zinc/83/40/75/720834075.db2.gz RRDOJNSFXAHDBA-DBXWQHBBSA-N 1 0 419.533 2.609 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC[C@@H]2C1 ZINC001164849795 720837423 /nfs/dbraw/zinc/83/74/23/720837423.db2.gz DEPZTJUEYRSYEZ-NEPJUHHUSA-N 1 0 411.280 2.502 20 0 HFADRO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164747695 720837940 /nfs/dbraw/zinc/83/79/40/720837940.db2.gz RJDCLHIPYRLFBZ-GPMSIDNRSA-N 1 0 402.930 2.715 20 0 HFADRO FC(F)(c1cncc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748725 720841298 /nfs/dbraw/zinc/84/12/98/720841298.db2.gz URZHLFODMGZQKB-ARFHVFGLSA-N 1 0 423.899 2.646 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@@H]2C1 ZINC001164850955 720849343 /nfs/dbraw/zinc/84/93/43/720849343.db2.gz FWIJHAKSUFHGHY-SJKOYZFVSA-N 1 0 412.868 2.735 20 0 HFADRO c1coc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164751131 720851501 /nfs/dbraw/zinc/85/15/01/720851501.db2.gz QGEYEIJNTXMTHY-WSTZPKSXSA-N 1 0 405.506 2.708 20 0 HFADRO Cc1cc2cccnc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748866 720854334 /nfs/dbraw/zinc/85/43/34/720854334.db2.gz MTMKDBXNSMJYDQ-NJDAHSKKSA-N 1 0 403.534 2.909 20 0 HFADRO CCc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)nc1C ZINC001164748131 720859785 /nfs/dbraw/zinc/85/97/85/720859785.db2.gz KJMZNHBVGAUBCX-YQVWRLOYSA-N 1 0 415.973 2.972 20 0 HFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164858181 720864882 /nfs/dbraw/zinc/86/48/82/720864882.db2.gz RMMKVPRXJLPMQM-RXVVDRJESA-N 1 0 413.518 2.585 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@@H]2C1 ZINC001164858323 720864899 /nfs/dbraw/zinc/86/48/99/720864899.db2.gz RWOHIABNFUDQIK-UZLBHIALSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccccc4Cl)nn3)CC[C@H]2C1 ZINC001164858313 720865161 /nfs/dbraw/zinc/86/51/61/720865161.db2.gz RWOHIABNFUDQIK-OXJNMPFZSA-N 1 0 402.926 2.971 20 0 HFADRO CN(C)c1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164751520 720869722 /nfs/dbraw/zinc/86/97/22/720869722.db2.gz KRVKELMKNBAFPF-XUZZJYLKSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@@H]2C1 ZINC001164857417 720870348 /nfs/dbraw/zinc/87/03/48/720870348.db2.gz QTAXYUMQCZJRKV-QZTJIDSGSA-N 1 0 415.538 2.603 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@H]2C1 ZINC001164859979 720872873 /nfs/dbraw/zinc/87/28/73/720872873.db2.gz NUDLUBPMYQQOQG-GXTWGEPZSA-N 1 0 412.321 2.505 20 0 HFADRO CN(C)c1cncc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753317 720874304 /nfs/dbraw/zinc/87/43/04/720874304.db2.gz OZJXGRMOWVZCSI-XUZZJYLKSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC[C@H]2C1 ZINC001164864707 720877798 /nfs/dbraw/zinc/87/77/98/720877798.db2.gz WOUPVBHLSWPDCS-RBUKOAKNSA-N 1 0 423.517 2.767 20 0 HFADRO [O-][n+]1cc(F)ccc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755472 720880861 /nfs/dbraw/zinc/88/08/61/720880861.db2.gz XMMYALWWHZDBOF-NFBKMPQASA-N 1 0 412.509 2.609 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@@H]2C1 ZINC001164857627 720881102 /nfs/dbraw/zinc/88/11/02/720881102.db2.gz KCDNWITWBTVRLY-DNVCBOLYSA-N 1 0 404.461 2.595 20 0 HFADRO COC(=O)CSc1cccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862395 720990521 /nfs/dbraw/zinc/99/05/21/720990521.db2.gz SGPJSPAMFHLEQT-OAHLLOKOSA-N 1 0 403.552 2.965 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nnc(Cl)c3c1N(C)CCO3)[C@@H]2C ZINC001164859799 720992264 /nfs/dbraw/zinc/99/22/64/720992264.db2.gz MRZYHAPJZWDFML-CYBMUJFWSA-N 1 0 405.934 2.577 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnn(C)c2)nc1 ZINC001164762221 721039009 /nfs/dbraw/zinc/03/90/09/721039009.db2.gz GWUSDTSVPMKZDD-HKBOAZHASA-N 1 0 408.550 2.855 20 0 HFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867691 721057034 /nfs/dbraw/zinc/05/70/34/721057034.db2.gz JRMWYWQPXGLQJV-VQTJNVASSA-N 1 0 410.518 2.912 20 0 HFADRO COc1ccc2nc(Cl)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762496 721072047 /nfs/dbraw/zinc/07/20/47/721072047.db2.gz FDGWUQQNEMPXKX-HZPDHXFCSA-N 1 0 412.925 2.984 20 0 HFADRO CC(C)(C)OC(=O)c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865646 721087530 /nfs/dbraw/zinc/08/75/30/721087530.db2.gz NWDOVYSWAKSQNM-PMACEKPBSA-N 1 0 410.518 2.912 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(NC(=O)OC(C)(C)C)ncn4)C[C@H]3C2)cn1 ZINC001164762103 721089744 /nfs/dbraw/zinc/08/97/44/721089744.db2.gz CNDSYSFWCSRHSH-DLBZAZTESA-N 1 0 413.526 2.515 20 0 HFADRO Clc1nc2ncsc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164863314 721091278 /nfs/dbraw/zinc/09/12/78/721091278.db2.gz BSJSVANCWANCPH-KBPBESRZSA-N 1 0 402.911 2.614 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164766546 721092545 /nfs/dbraw/zinc/09/25/45/721092545.db2.gz KTPXMAADUPRKID-RTWAWAEBSA-N 1 0 404.518 2.747 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164866950 721097076 /nfs/dbraw/zinc/09/70/76/721097076.db2.gz VLKATCPDRMNNID-CABCVRRESA-N 1 0 416.938 2.923 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC001164866952 721098146 /nfs/dbraw/zinc/09/81/46/721098146.db2.gz VLKATCPDRMNNID-HUUCEWRRSA-N 1 0 416.938 2.923 20 0 HFADRO COc1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nc2c1 ZINC001164770958 721113838 /nfs/dbraw/zinc/11/38/38/721113838.db2.gz RQCRQLNOLUEIEB-JKSUJKDBSA-N 1 0 412.925 2.984 20 0 HFADRO c1ccc(COc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cn2)cc1 ZINC001164863745 721121018 /nfs/dbraw/zinc/12/10/18/721121018.db2.gz DALKTZPPZICYGZ-YADHBBJMSA-N 1 0 417.513 2.930 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164769176 721123523 /nfs/dbraw/zinc/12/35/23/721123523.db2.gz PRFWRWWXQUXJST-HZPDHXFCSA-N 1 0 411.884 2.894 20 0 HFADRO CCOC(=O)c1cnc2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH]cc1-2 ZINC001164881195 721135241 /nfs/dbraw/zinc/13/52/41/721135241.db2.gz ZRHPQBHNGZBFIN-MSOLQXFVSA-N 1 0 421.501 2.614 20 0 HFADRO CCOC(=O)c1cnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)c1 ZINC001164773313 721140132 /nfs/dbraw/zinc/14/01/32/721140132.db2.gz YEQYYQNRTQXRFU-WBVHZDCISA-N 1 0 403.914 2.604 20 0 HFADRO COc1ccc2nc(Cl)cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2n1 ZINC001164765687 721143987 /nfs/dbraw/zinc/14/39/87/721143987.db2.gz KBJQVIUKBXVWBG-JKSUJKDBSA-N 1 0 412.925 2.984 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765693 721164992 /nfs/dbraw/zinc/16/49/92/721164992.db2.gz IDDOUBHJSXNLCC-RTBURBONSA-N 1 0 405.502 2.713 20 0 HFADRO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164763407 721171796 /nfs/dbraw/zinc/17/17/96/721171796.db2.gz FVHHGPSHEUJJBL-HOTGVXAUSA-N 1 0 414.945 2.752 20 0 HFADRO CCOC(=O)c1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1Cl ZINC001164761332 721177916 /nfs/dbraw/zinc/17/79/16/721177916.db2.gz APSJKAYDFQTELY-HOTGVXAUSA-N 1 0 403.914 2.604 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@H]3C2)cn1 ZINC001164772905 721179295 /nfs/dbraw/zinc/17/92/95/721179295.db2.gz VZLVFLLFQLXQTQ-LEWJYISDSA-N 1 0 400.530 2.934 20 0 HFADRO COC(=O)c1cc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164873668 721182625 /nfs/dbraw/zinc/18/26/25/721182625.db2.gz JWRAIRQWAPNGLO-IAGOWNOFSA-N 1 0 416.909 2.705 20 0 HFADRO COc1cc(C)c2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867890 721198414 /nfs/dbraw/zinc/19/84/14/721198414.db2.gz IYMKVDJNZCUMTI-QUCCMNQESA-N 1 0 405.502 2.822 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164770917 721209367 /nfs/dbraw/zinc/20/93/67/721209367.db2.gz PFMXOMYEDDAFDJ-OALUTQOASA-N 1 0 405.502 2.713 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@H]3C2)cn1 ZINC001164770828 721212028 /nfs/dbraw/zinc/21/20/28/721212028.db2.gz ORRSYWAZJRXSEC-ZIAGYGMSSA-N 1 0 421.883 2.848 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)C[C@H]3C2)cn1 ZINC001164759525 721238380 /nfs/dbraw/zinc/23/83/80/721238380.db2.gz ARTCWASUJRNOKV-ZWKOTPCHSA-N 1 0 409.925 2.884 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(-c4ccccc4)ccn3)CC2)C1 ZINC001164869360 721266336 /nfs/dbraw/zinc/26/63/36/721266336.db2.gz LOIICVZNHLTEOR-UHFFFAOYSA-N 1 0 408.546 2.756 20 0 HFADRO c1ncn2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@H](COc1cccnc1)C2 ZINC001164769066 721276448 /nfs/dbraw/zinc/27/64/48/721276448.db2.gz OBFYZBCDAROKFO-IBGZPJMESA-N 1 0 404.518 2.984 20 0 HFADRO Cc1nc2sccc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888598 721378770 /nfs/dbraw/zinc/37/87/70/721378770.db2.gz KHBRPCLDRQNONH-UWJYYQICSA-N 1 0 401.580 2.765 20 0 HFADRO Cc1nc2ccsc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889274 721380261 /nfs/dbraw/zinc/38/02/61/721380261.db2.gz LLIUQXRESJKKRE-LAUBAEHRSA-N 1 0 401.580 2.765 20 0 HFADRO Clc1cc(C2CC[NH2+]CC2)nc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164789908 721402208 /nfs/dbraw/zinc/40/22/08/721402208.db2.gz VEMAMLWGQOXOIR-GASCZTMLSA-N 1 0 404.971 2.622 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164883994 721407118 /nfs/dbraw/zinc/40/71/18/721407118.db2.gz CUCRECPWUKMOAD-KBXCAEBGSA-N 1 0 400.354 2.549 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5cccs5)nn4)C3)O2)CC1 ZINC001164887714 721421009 /nfs/dbraw/zinc/42/10/09/721421009.db2.gz MNXFANAGUFPIFL-AVRDEDQJSA-N 1 0 413.591 2.971 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5cccs5)nn4)C3)O2)CC1 ZINC001164887717 721421220 /nfs/dbraw/zinc/42/12/20/721421220.db2.gz MNXFANAGUFPIFL-XMSQKQJNSA-N 1 0 413.591 2.971 20 0 HFADRO CC(C)COc1cccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897766 721427623 /nfs/dbraw/zinc/42/76/23/721427623.db2.gz URUNZTGJWCOVIM-NFBKMPQASA-N 1 0 402.583 2.882 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccncc5)cn4)C3)O2)CC1 ZINC001164893668 721431781 /nfs/dbraw/zinc/43/17/81/721431781.db2.gz JWPHVIMOPXHNDS-UPVQGACJSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccncc2)n1 ZINC001164896109 721432735 /nfs/dbraw/zinc/43/27/35/721432735.db2.gz QNGVIJNYBBHLAT-URXFXBBRSA-N 1 0 422.577 2.612 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896700 721438032 /nfs/dbraw/zinc/43/80/32/721438032.db2.gz RTTUZHSMSMEGCJ-XMSQKQJNSA-N 1 0 413.591 2.971 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(C(=O)OC)n1)CC2 ZINC001164788640 721450707 /nfs/dbraw/zinc/45/07/07/721450707.db2.gz RXSJHNNLPBUTRA-IBGZPJMESA-N 1 0 417.550 2.602 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1ccn3C)CC2 ZINC001164786013 721453404 /nfs/dbraw/zinc/45/34/04/721453404.db2.gz MAESQVBRFIUABE-IBGZPJMESA-N 1 0 413.566 2.702 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1ccn3C)CC2 ZINC001164786014 721453423 /nfs/dbraw/zinc/45/34/23/721453423.db2.gz MAESQVBRFIUABE-LJQANCHMSA-N 1 0 413.566 2.702 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)nc(C)n1)CC2 ZINC001164784719 721459098 /nfs/dbraw/zinc/45/90/98/721459098.db2.gz JVJHCZKCLBRQDS-LJQANCHMSA-N 1 0 404.555 2.528 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)cc(OC)n1)CC2 ZINC001164789393 721459352 /nfs/dbraw/zinc/45/93/52/721459352.db2.gz XQBLCCGDGNBGBS-IBGZPJMESA-N 1 0 419.566 2.833 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3cccnc3n1)CC2 ZINC001164789932 721461033 /nfs/dbraw/zinc/46/10/33/721461033.db2.gz YPBKLIHFTBOKPN-FQEVSTJZSA-N 1 0 411.550 2.759 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3onc(C)c31)CC2 ZINC001164790614 721470110 /nfs/dbraw/zinc/47/01/10/721470110.db2.gz SGHANDQHZIZTGZ-SFHVURJKSA-N 1 0 415.538 2.660 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164792020 721493450 /nfs/dbraw/zinc/49/34/50/721493450.db2.gz JZMQRTXBYZTFEY-UHFFFAOYSA-N 1 0 400.914 2.505 20 0 HFADRO Cc1sc2nc(C)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1C ZINC001164794089 721513125 /nfs/dbraw/zinc/51/31/25/721513125.db2.gz FEOUZJVFYKATLN-UHFFFAOYSA-N 1 0 411.579 2.581 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)ccc12 ZINC001164900817 721524968 /nfs/dbraw/zinc/52/49/68/721524968.db2.gz VCRYDFOVENDLLE-NVXWUHKLSA-N 1 0 410.449 2.831 20 0 HFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(OC)c1 ZINC001164905857 721542015 /nfs/dbraw/zinc/54/20/15/721542015.db2.gz JHSDSLQICDTWEJ-HKUYNNGSSA-N 1 0 415.465 2.748 20 0 HFADRO CON(C)C(=O)c1cc(C)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907624 721547258 /nfs/dbraw/zinc/54/72/58/721547258.db2.gz NQLFZHQWEFDRPA-PKOBYXMFSA-N 1 0 414.481 2.504 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164802390 721568342 /nfs/dbraw/zinc/56/83/42/721568342.db2.gz IHECTZKYKXHTGK-MQSCRBSSSA-N 1 0 421.545 2.581 20 0 HFADRO COC(=O)/C=C/c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164800284 721570701 /nfs/dbraw/zinc/57/07/01/721570701.db2.gz DMTQNVHCVYVHCB-TYWHGYAASA-N 1 0 422.529 2.839 20 0 HFADRO COC(=O)/C=C/c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164800279 721570738 /nfs/dbraw/zinc/57/07/38/721570738.db2.gz DMTQNVHCVYVHCB-FTTFSELBSA-N 1 0 422.529 2.839 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCCC3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164803937 721576334 /nfs/dbraw/zinc/57/63/34/721576334.db2.gz JWNYKBQEFPXFHD-MIZPHKNDSA-N 1 0 408.550 2.730 20 0 HFADRO COc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(OC)n1 ZINC001164907054 721694290 /nfs/dbraw/zinc/69/42/90/721694290.db2.gz QNUGEJQRSHWJQL-LJQANCHMSA-N 1 0 405.449 2.627 20 0 HFADRO CCn1cnc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913138 721725357 /nfs/dbraw/zinc/72/53/57/721725357.db2.gz UISPVSRJOIDFHX-FQEVSTJZSA-N 1 0 413.476 2.979 20 0 HFADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165008359 721730833 /nfs/dbraw/zinc/73/08/33/721730833.db2.gz MLSCBEPPINUIAC-UHFFFAOYSA-N 1 0 422.957 2.743 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(Cl)cc2-c2ccncc2)CC1 ZINC001165007235 721732314 /nfs/dbraw/zinc/73/23/14/721732314.db2.gz ALIBZOYKTHMIBR-UHFFFAOYSA-N 1 0 414.941 2.715 20 0 HFADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001164907789 721744919 /nfs/dbraw/zinc/74/49/19/721744919.db2.gz ASTKWULWJIICJO-UHFFFAOYSA-N 1 0 424.936 2.958 20 0 HFADRO CNC(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024728 721831253 /nfs/dbraw/zinc/83/12/53/721831253.db2.gz LAFHSVFAIXSSCM-LESCRADOSA-N 1 0 414.941 2.622 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc3c2NC(=O)CO3)CC1 ZINC001165023086 721841157 /nfs/dbraw/zinc/84/11/57/721841157.db2.gz XBADRURMUCNDAI-UHFFFAOYSA-N 1 0 412.490 2.531 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ccc2C(N)=O)CC1 ZINC001165021183 721841212 /nfs/dbraw/zinc/84/12/12/721841212.db2.gz GOWDOFSASMKKTD-UHFFFAOYSA-N 1 0 418.925 2.952 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cncc(-n3ccnc3)n2)CC1 ZINC001165020342 721842444 /nfs/dbraw/zinc/84/24/44/721842444.db2.gz CPYGDHYDNRJVDX-UHFFFAOYSA-N 1 0 408.506 2.780 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(C(=O)N2CCCCC2)cc(Cl)n1 ZINC001164923598 721853767 /nfs/dbraw/zinc/85/37/67/721853767.db2.gz AXLJZKGWQBLEHG-QZTJIDSGSA-N 1 0 405.974 2.576 20 0 HFADRO COc1cc2nc(Cl)c(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nc2cc1OC ZINC001164922434 721865041 /nfs/dbraw/zinc/86/50/41/721865041.db2.gz GVIPGAYCRKBMRZ-HZPDHXFCSA-N 1 0 405.930 2.515 20 0 HFADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCC[C@H]([NH+](C)C)C2)C1=O ZINC001165036544 721894899 /nfs/dbraw/zinc/89/48/99/721894899.db2.gz SMLAWSBJIROADB-YWZLYKJASA-N 1 0 424.952 2.547 20 0 HFADRO COc1ccc2c(cc[nH+]c2N2CCC3(CC2)COCCN3Cc2ccn(C)n2)c1 ZINC001164933848 721903730 /nfs/dbraw/zinc/90/37/30/721903730.db2.gz RYXDRGYAKFHUEJ-UHFFFAOYSA-N 1 0 407.518 2.848 20 0 HFADRO CN(CC1CC[NH+](C)CC1)c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cn1 ZINC001165043211 721938085 /nfs/dbraw/zinc/93/80/85/721938085.db2.gz QTBRHNMRBMPBLD-UHFFFAOYSA-N 1 0 410.490 2.939 20 0 HFADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164956243 722019048 /nfs/dbraw/zinc/01/90/48/722019048.db2.gz ZYJQSBOLVQGORU-UHFFFAOYSA-N 1 0 406.490 2.632 20 0 HFADRO Clc1nc2c(c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n1)COC2 ZINC001164964545 722054364 /nfs/dbraw/zinc/05/43/64/722054364.db2.gz VKZBIEGFAUKUPO-UHFFFAOYSA-N 1 0 415.925 2.674 20 0 HFADRO C=C(OCC)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164963846 722056177 /nfs/dbraw/zinc/05/61/77/722056177.db2.gz NROYTAUZFDXMIE-UHFFFAOYSA-N 1 0 409.534 2.998 20 0 HFADRO CCN(CC)c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncn1 ZINC001164963333 722058524 /nfs/dbraw/zinc/05/85/24/722058524.db2.gz WSVKHNDJIRLGDW-UHFFFAOYSA-N 1 0 410.566 2.837 20 0 HFADRO Fc1ccc(Cn2ccc3c2ncnc3N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164967972 722072501 /nfs/dbraw/zinc/07/25/01/722072501.db2.gz WPEFBNKWPMJGPC-BGYRXZFFSA-N 1 0 407.493 2.918 20 0 HFADRO C[NH+](C)Cc1ccnc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)c1 ZINC001164969491 722082459 /nfs/dbraw/zinc/08/24/59/722082459.db2.gz OQXNGCLIPXDHKA-NHCUHLMSSA-N 1 0 412.509 2.536 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCC4(CC[C@H](C(=O)NCC5CC5)C4)CC3)n2)CC1 ZINC001164972888 722091734 /nfs/dbraw/zinc/09/17/34/722091734.db2.gz JAUOFLBBJHCWMB-FQEVSTJZSA-N 1 0 411.594 2.746 20 0 HFADRO COC(=O)c1cnc(Cl)cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978286 722100138 /nfs/dbraw/zinc/10/01/38/722100138.db2.gz GOZVRHDNPUWSBB-LPHOPBHVSA-N 1 0 416.909 2.644 20 0 HFADRO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164985887 722102567 /nfs/dbraw/zinc/10/25/67/722102567.db2.gz XLAHKDARRWYHCX-SJLPKXTDSA-N 1 0 416.909 2.644 20 0 HFADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980080 722105614 /nfs/dbraw/zinc/10/56/14/722105614.db2.gz JFAYCLFYZAIYGA-HOTGVXAUSA-N 1 0 409.868 2.797 20 0 HFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976306 722108426 /nfs/dbraw/zinc/10/84/26/722108426.db2.gz LENXIFHATMFBTC-HQRMLTQVSA-N 1 0 406.889 2.985 20 0 HFADRO CC1(C)OC(=O)c2c1ccnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981146 722111784 /nfs/dbraw/zinc/11/17/84/722111784.db2.gz TXIJHIOKGMIJKR-HKUYNNGSSA-N 1 0 408.502 2.609 20 0 HFADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974905 722115075 /nfs/dbraw/zinc/11/50/75/722115075.db2.gz IVIDXQKPGHJLNK-VQTJNVASSA-N 1 0 410.518 2.607 20 0 HFADRO COc1c(Cl)nc(C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981054 722117200 /nfs/dbraw/zinc/11/72/00/722117200.db2.gz SFHCFTPRGAATRX-DLBZAZTESA-N 1 0 403.914 2.569 20 0 HFADRO CC(C)(C)NC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164983120 722119201 /nfs/dbraw/zinc/11/92/01/722119201.db2.gz YIDFMNLLMZFBOS-NHCUHLMSSA-N 1 0 423.561 2.732 20 0 HFADRO CC(C)(C)NC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164980283 722132306 /nfs/dbraw/zinc/13/23/06/722132306.db2.gz MKSSRESKEJDJQH-SFTDATJTSA-N 1 0 423.561 2.732 20 0 HFADRO COC(OC)c1cc(C)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980944 722133841 /nfs/dbraw/zinc/13/38/41/722133841.db2.gz NXSMBARUSYGQNQ-TZIWHRDSSA-N 1 0 412.534 2.804 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976138 722137059 /nfs/dbraw/zinc/13/70/59/722137059.db2.gz HKBFOFCPPNYMOK-HZPDHXFCSA-N 1 0 405.955 2.974 20 0 HFADRO c1cc2c(nc(C3CC3)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164973057 722153950 /nfs/dbraw/zinc/15/39/50/722153950.db2.gz KNYRYKHKZFGPDU-QUCCMNQESA-N 1 0 404.518 2.958 20 0 HFADRO C[C@H]1C(=O)Nc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2N1C ZINC001164995982 722200069 /nfs/dbraw/zinc/20/00/69/722200069.db2.gz RBCJPGPJCYDADY-NYHFZMIOSA-N 1 0 410.497 2.637 20 0 HFADRO COC(=O)c1ccc2ccnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001164999524 722252424 /nfs/dbraw/zinc/25/24/24/722252424.db2.gz ACOBNQFLDLMAKT-UHFFFAOYSA-N 1 0 423.517 2.706 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc3ccc(Cl)nc3cn1)CCC2 ZINC001165002188 722254276 /nfs/dbraw/zinc/25/42/76/722254276.db2.gz LDQGPOZJGCUCHH-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc3c(Cl)ccnc3cn1)CCC2 ZINC001165002179 722254432 /nfs/dbraw/zinc/25/44/32/722254432.db2.gz LBCRPPDELSPRGS-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO COc1ccc(-c2cc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ncn2)cc1 ZINC001165004267 722256825 /nfs/dbraw/zinc/25/68/25/722256825.db2.gz OZQNDZAYQQMGGH-UHFFFAOYSA-N 1 0 422.533 2.837 20 0 HFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001165006080 722270388 /nfs/dbraw/zinc/27/03/88/722270388.db2.gz LRMUNKVICOBMBV-XMMPIXPASA-N 1 0 423.536 2.744 20 0 HFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000747096179 1078051279 /nfs/dbraw/zinc/05/12/79/1078051279.db2.gz OWQXILBJEPMHCY-OAQYLSRUSA-N 1 0 410.518 2.825 20 0 HFADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1cccc(Cl)n1 ZINC000793038638 1078053515 /nfs/dbraw/zinc/05/35/15/1078053515.db2.gz FWXCYQYIAZCDHH-UHFFFAOYSA-N 1 0 413.909 2.844 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000793045104 1078055116 /nfs/dbraw/zinc/05/51/16/1078055116.db2.gz LTKWNNYKDMJJQQ-WOJBJXKFSA-N 1 0 402.539 2.819 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CC(c4cccnc4)=NO3)cc2F)CC1 ZINC000790583004 1078061661 /nfs/dbraw/zinc/06/16/61/1078061661.db2.gz YCWGGBVJSQCFTD-OAQYLSRUSA-N 1 0 411.481 2.883 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000790599055 1078064064 /nfs/dbraw/zinc/06/40/64/1078064064.db2.gz RMXUHPKRDBOWHE-ZWKOTPCHSA-N 1 0 403.523 2.946 20 0 HFADRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)CCOCC1)c1ccccc1 ZINC000790635437 1078070824 /nfs/dbraw/zinc/07/08/24/1078070824.db2.gz IKBGXHYHUIRVAK-UTKZUKDTSA-N 1 0 408.502 2.591 20 0 HFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)[C@H]1C ZINC000790609962 1078074952 /nfs/dbraw/zinc/07/49/52/1078074952.db2.gz QYXBOOSSAZEGFU-QPMCIGMLSA-N 1 0 413.518 2.979 20 0 HFADRO CCOC(=O)N1CCC([NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CC1 ZINC000790611612 1078075783 /nfs/dbraw/zinc/07/57/83/1078075783.db2.gz SSXRBMBGRJDCQR-QFIPXVFZSA-N 1 0 414.506 2.622 20 0 HFADRO O=C(OC[C@@H]1CCCC[N@@H+]1CCCON1C(=O)c2ccccc2C1=O)N1CCCC1 ZINC001170141856 1078083683 /nfs/dbraw/zinc/08/36/83/1078083683.db2.gz WRZMTFIDHAHURL-KRWDZBQOSA-N 1 0 415.490 2.691 20 0 HFADRO Cn1c2nn(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000772828308 1078090592 /nfs/dbraw/zinc/09/05/92/1078090592.db2.gz MEYKZEVOMWFQPI-QAPCUYQASA-N 1 0 424.574 2.623 20 0 HFADRO O=C1C(=O)N(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000772828641 1078093986 /nfs/dbraw/zinc/09/39/86/1078093986.db2.gz NZWIDKPKCTVIGN-ICSRJNTNSA-N 1 0 414.550 2.574 20 0 HFADRO O=C(OCC1CC[NH+](Cc2ccco2)CC1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793176019 1078094742 /nfs/dbraw/zinc/09/47/42/1078094742.db2.gz BUKMHZCYVLZNJG-IBGZPJMESA-N 1 0 403.500 2.996 20 0 HFADRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000793183484 1078096006 /nfs/dbraw/zinc/09/60/06/1078096006.db2.gz DVIMNHFJYCLCCI-ZVDOUQERSA-N 1 0 417.550 2.745 20 0 HFADRO C[N@H+](CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C1CCCCC1 ZINC000793213714 1078099254 /nfs/dbraw/zinc/09/92/54/1078099254.db2.gz DWEXJZPYJUNCTG-SFTDATJTSA-N 1 0 424.545 2.959 20 0 HFADRO Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000790707700 1078102635 /nfs/dbraw/zinc/10/26/35/1078102635.db2.gz CILNEJSWPYMWBZ-ROUUACIJSA-N 1 0 406.958 2.733 20 0 HFADRO CC(C)(CNC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000790709152 1078102969 /nfs/dbraw/zinc/10/29/69/1078102969.db2.gz OZIMEAGUTBYCPL-MRXNPFEDSA-N 1 0 411.930 2.566 20 0 HFADRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000790718076 1078107191 /nfs/dbraw/zinc/10/71/91/1078107191.db2.gz MXHAIPOGGQATOJ-XKGZKEIXSA-N 1 0 409.538 2.765 20 0 HFADRO CC[C@@H](C)CC[C@H](O)CC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000793242742 1078108836 /nfs/dbraw/zinc/10/88/36/1078108836.db2.gz ZHVDLWPNGOJUKX-NQIIRXRSSA-N 1 0 409.615 2.745 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O ZINC001170428856 1078109967 /nfs/dbraw/zinc/10/99/67/1078109967.db2.gz PDTZVTUQDKONNA-QYZOEREBSA-N 1 0 419.566 2.757 20 0 HFADRO C[C@H](CNC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000790761980 1078113362 /nfs/dbraw/zinc/11/33/62/1078113362.db2.gz OEBSJJDEYKAYKR-IKGGRYGDSA-N 1 0 400.539 2.707 20 0 HFADRO C[C@H](NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1nnnn1C1CC1 ZINC000790724487 1078115267 /nfs/dbraw/zinc/11/52/67/1078115267.db2.gz QVECARFJERJARC-INIZCTEOSA-N 1 0 405.506 2.750 20 0 HFADRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000793287217 1078118713 /nfs/dbraw/zinc/11/87/13/1078118713.db2.gz WUCNOJAFUPQWSK-UAFMIMERSA-N 1 0 409.571 2.639 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000793289539 1078119185 /nfs/dbraw/zinc/11/91/85/1078119185.db2.gz AUPKABZHONIPDD-GOSISDBHSA-N 1 0 409.571 2.593 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000793290451 1078119462 /nfs/dbraw/zinc/11/94/62/1078119462.db2.gz HMRQJOBXOMETCB-NJYVYQBISA-N 1 0 422.529 2.665 20 0 HFADRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790747452 1078123621 /nfs/dbraw/zinc/12/36/21/1078123621.db2.gz OIXQKNNMIOFCCK-DYVFJYSZSA-N 1 0 404.873 2.982 20 0 HFADRO C[C@]1([NH2+]CCN2C(=O)c3ccccc3C2=O)CCN(C(=O)OCc2ccccc2)C1 ZINC000793344323 1078131828 /nfs/dbraw/zinc/13/18/28/1078131828.db2.gz QCRHHMQRJKFYQG-QHCPKHFHSA-N 1 0 407.470 2.673 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000790782674 1078133271 /nfs/dbraw/zinc/13/32/71/1078133271.db2.gz PMMVKUGUMDEHIY-YVSFHVDLSA-N 1 0 400.539 2.848 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000790782670 1078133290 /nfs/dbraw/zinc/13/32/90/1078133290.db2.gz PMMVKUGUMDEHIY-HZMVEIRTSA-N 1 0 400.539 2.848 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793313318 1078133670 /nfs/dbraw/zinc/13/36/70/1078133670.db2.gz VSJKMAKEEYBQCB-NHCUHLMSSA-N 1 0 424.545 2.817 20 0 HFADRO CS(=O)(=O)C1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCC1 ZINC000793366102 1078149075 /nfs/dbraw/zinc/14/90/75/1078149075.db2.gz QSJADWBISGKOCM-UHFFFAOYSA-N 1 0 421.563 2.797 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000793379151 1078154136 /nfs/dbraw/zinc/15/41/36/1078154136.db2.gz FENFOPPLQDXCHF-KZKAQZJJSA-N 1 0 409.530 2.733 20 0 HFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793436077 1078171724 /nfs/dbraw/zinc/17/17/24/1078171724.db2.gz MTGLESJSYLUKBJ-WOJBJXKFSA-N 1 0 412.534 2.625 20 0 HFADRO COc1ccc([C@@H]2[C@@H](COC(=O)C3CCN(c4cnccn4)CC3)CC[N@@H+]2C)cc1 ZINC000747120829 1078174164 /nfs/dbraw/zinc/17/41/64/1078174164.db2.gz OFQCYOKCJBWTMG-DENIHFKCSA-N 1 0 410.518 2.938 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484063 1078189261 /nfs/dbraw/zinc/18/92/61/1078189261.db2.gz QHKOSQKHMUMUMO-BJLQDIEVSA-N 1 0 422.614 2.649 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000793483422 1078189710 /nfs/dbraw/zinc/18/97/10/1078189710.db2.gz MQFZBFYBQQDOFA-AWEZNQCLSA-N 1 0 418.579 2.936 20 0 HFADRO CN1CC[NH+](CC2(C)CCN(CN3CC[C@@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793512549 1078196140 /nfs/dbraw/zinc/19/61/40/1078196140.db2.gz STFMYKDSJFTYBN-HSZRJFAPSA-N 1 0 412.622 2.775 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000793513899 1078196152 /nfs/dbraw/zinc/19/61/52/1078196152.db2.gz UQYAZAIVAACKOX-ZDUSSCGKSA-N 1 0 404.552 2.547 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793514741 1078196726 /nfs/dbraw/zinc/19/67/26/1078196726.db2.gz MDLNLUPTTGKCFN-HOJAQTOUSA-N 1 0 410.518 2.569 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000793516854 1078197353 /nfs/dbraw/zinc/19/73/53/1078197353.db2.gz JCLKZTWADWWVTD-DYESRHJHSA-N 1 0 409.502 2.763 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000793516856 1078197624 /nfs/dbraw/zinc/19/76/24/1078197624.db2.gz JCLKZTWADWWVTD-UTKZUKDTSA-N 1 0 409.502 2.763 20 0 HFADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000793493609 1078201565 /nfs/dbraw/zinc/20/15/65/1078201565.db2.gz ONFVDDMWZWPZOL-MRXNPFEDSA-N 1 0 404.555 2.955 20 0 HFADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000793534223 1078205849 /nfs/dbraw/zinc/20/58/49/1078205849.db2.gz OPMXHGYMBQEPSF-SJORKVTESA-N 1 0 406.470 2.593 20 0 HFADRO COc1ncc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1Cl ZINC000793535304 1078206031 /nfs/dbraw/zinc/20/60/31/1078206031.db2.gz RVDLSXYPUIURRN-VIFPVBQESA-N 1 0 401.838 2.708 20 0 HFADRO COc1ccc(Cl)cc1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793558146 1078210016 /nfs/dbraw/zinc/21/00/16/1078210016.db2.gz CMNILDYZCMHKJZ-UHFFFAOYSA-N 1 0 407.942 2.878 20 0 HFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793577767 1078213442 /nfs/dbraw/zinc/21/34/42/1078213442.db2.gz SYNKLRPZFWNBSW-PCCBWWKXSA-N 1 0 424.545 2.911 20 0 HFADRO COCC1(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793577819 1078213447 /nfs/dbraw/zinc/21/34/47/1078213447.db2.gz WKQOEWQDOPXOCB-DLBZAZTESA-N 1 0 418.600 2.596 20 0 HFADRO COC(=O)c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000793583438 1078214972 /nfs/dbraw/zinc/21/49/72/1078214972.db2.gz DLVWPQMFXNYVHT-QGZVFWFLSA-N 1 0 411.340 2.969 20 0 HFADRO C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170435074 1078217080 /nfs/dbraw/zinc/21/70/80/1078217080.db2.gz NJHGZCFNWWVYEQ-OAHLLOKOSA-N 1 0 401.548 2.641 20 0 HFADRO COC(=O)[C@]1(NC(=O)c2ccc3nc(C)n(C)c3c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000793634903 1078235665 /nfs/dbraw/zinc/23/56/65/1078235665.db2.gz LOFWCLIPLQMNTB-DEOSSOPVSA-N 1 0 420.513 2.819 20 0 HFADRO CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)NCc3ccc([C@H](C)O)cc3)CC2)CC1 ZINC000793635986 1078236266 /nfs/dbraw/zinc/23/62/66/1078236266.db2.gz BDSVSHDLBPNOBH-NLMOZGTASA-N 1 0 415.578 2.715 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000793639118 1078237625 /nfs/dbraw/zinc/23/76/25/1078237625.db2.gz INXWQSMFJKZJBG-QZTJIDSGSA-N 1 0 409.530 2.698 20 0 HFADRO Cc1c(NC(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)cccc1N1CN=NC1=O ZINC000793641124 1078238466 /nfs/dbraw/zinc/23/84/66/1078238466.db2.gz OAFYRLZJEMVMDS-XFXZXTDPSA-N 1 0 407.474 2.874 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000793646335 1078240252 /nfs/dbraw/zinc/24/02/52/1078240252.db2.gz RXWNVXVTCSHIDY-GOSISDBHSA-N 1 0 401.551 2.519 20 0 HFADRO COCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793676102 1078250366 /nfs/dbraw/zinc/25/03/66/1078250366.db2.gz AVZPXXSDLDFPLL-QZTJIDSGSA-N 1 0 409.571 2.593 20 0 HFADRO O=C(NCc1ccn(-c2ccccc2)n1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000793657352 1078259048 /nfs/dbraw/zinc/25/90/48/1078259048.db2.gz XIAYAUQJEZIJOI-UHFFFAOYSA-N 1 0 423.561 2.603 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000793684000 1078254539 /nfs/dbraw/zinc/25/45/39/1078254539.db2.gz RHOPBQQPLYQKHH-QGZVFWFLSA-N 1 0 415.559 2.660 20 0 HFADRO Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000793713949 1078261750 /nfs/dbraw/zinc/26/17/50/1078261750.db2.gz QCMZEUPNMMVPRP-IFMALSPDSA-N 1 0 415.578 2.536 20 0 HFADRO C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793715163 1078262359 /nfs/dbraw/zinc/26/23/59/1078262359.db2.gz SCCNPKJRUXZUMQ-GJZGRUSLSA-N 1 0 415.456 2.580 20 0 HFADRO C[C@H](COc1ccccc1C(F)(F)F)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793715168 1078262403 /nfs/dbraw/zinc/26/24/03/1078262403.db2.gz SCCNPKJRUXZUMQ-HUUCEWRRSA-N 1 0 415.456 2.580 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000793714736 1078262742 /nfs/dbraw/zinc/26/27/42/1078262742.db2.gz SYEVAEDNZKTTTD-RWMBFGLXSA-N 1 0 417.394 2.566 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1)[NH+]1CCCCC1 ZINC000793720878 1078265542 /nfs/dbraw/zinc/26/55/42/1078265542.db2.gz IPQCPYIJUWTEQM-KRWDZBQOSA-N 1 0 415.534 2.677 20 0 HFADRO C[C@H](NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1nc2ccccc2s1 ZINC000793721623 1078266129 /nfs/dbraw/zinc/26/61/29/1078266129.db2.gz YXGSWVNSMPMFOS-DOTOQJQBSA-N 1 0 410.543 2.763 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1nc(-c2ccccc2F)cs1)[NH+]1CCCCC1 ZINC000793725208 1078267062 /nfs/dbraw/zinc/26/70/62/1078267062.db2.gz RAMJUQHFLQTWIM-AWEZNQCLSA-N 1 0 404.511 2.556 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001170436553 1078267935 /nfs/dbraw/zinc/26/79/35/1078267935.db2.gz IYYMJMFFHOSEDS-PMACEKPBSA-N 1 0 412.530 2.863 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436651 1078278097 /nfs/dbraw/zinc/27/80/97/1078278097.db2.gz JMAFXYWUVDVRNP-JTSKRJEESA-N 1 0 401.507 2.824 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCC1(c2ccc(F)cc2F)CCCC1)[NH+]1CCCCC1 ZINC000793696650 1078272138 /nfs/dbraw/zinc/27/21/38/1078272138.db2.gz HEAUKLVTIRYCLL-MRXNPFEDSA-N 1 0 407.505 2.883 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1ccnc(Oc2ccccc2F)c1)[NH+]1CCCCC1 ZINC000793703311 1078274967 /nfs/dbraw/zinc/27/49/67/1078274967.db2.gz ULKDZNKKZJTDQB-INIZCTEOSA-N 1 0 414.481 2.620 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000793702729 1078275310 /nfs/dbraw/zinc/27/53/10/1078275310.db2.gz PXDZNOKHUDLWQS-DNVCBOLYSA-N 1 0 403.910 2.643 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000793705030 1078276045 /nfs/dbraw/zinc/27/60/45/1078276045.db2.gz BYCJZMKFDHNVSH-QXCZDIPSSA-N 1 0 409.571 2.732 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000793706357 1078276228 /nfs/dbraw/zinc/27/62/28/1078276228.db2.gz CABCOOVTJNZSPM-CABCVRRESA-N 1 0 415.456 2.796 20 0 HFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C[C@H]1C ZINC000793754918 1078278686 /nfs/dbraw/zinc/27/86/86/1078278686.db2.gz JAMKSICUBPVOKE-GJJHYRHESA-N 1 0 410.518 2.519 20 0 HFADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793742082 1078287360 /nfs/dbraw/zinc/28/73/60/1078287360.db2.gz NOUWLSUTJIUZJR-PZJWPPBQSA-N 1 0 415.578 2.992 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000793742908 1078287754 /nfs/dbraw/zinc/28/77/54/1078287754.db2.gz QAMYUGQRNVRXLU-INIZCTEOSA-N 1 0 420.985 2.662 20 0 HFADRO CC1CC[NH+]([C@H](CNC(=O)C(=O)NC[C@H]2CSCCS2)c2ccccc2)CC1 ZINC000793784885 1078294059 /nfs/dbraw/zinc/29/40/59/1078294059.db2.gz NUDAZIIDFPLSJA-RBUKOAKNSA-N 1 0 421.632 2.541 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000793777838 1078309109 /nfs/dbraw/zinc/30/91/09/1078309109.db2.gz HEDORUXGBAUMRG-IRFCIJBXSA-N 1 0 409.530 2.830 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCc3cccc(Br)c3C2)CC1 ZINC000793825271 1078318158 /nfs/dbraw/zinc/31/81/58/1078318158.db2.gz NJVLWZVZBQSGSF-UHFFFAOYSA-N 1 0 422.367 2.572 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)[N@H+](C)C1CC1 ZINC000793870625 1078328825 /nfs/dbraw/zinc/32/88/25/1078328825.db2.gz BLQDOIDDERUSOL-KRWDZBQOSA-N 1 0 414.594 2.668 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001170438523 1078322553 /nfs/dbraw/zinc/32/25/53/1078322553.db2.gz SWWHIRGAUCMFLM-MDPIYQRISA-N 1 0 400.519 2.742 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C)s2)CC1 ZINC000793868543 1078328191 /nfs/dbraw/zinc/32/81/91/1078328191.db2.gz SLNBXJGQSWNSMU-KRWDZBQOSA-N 1 0 409.596 2.831 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901911 1078333112 /nfs/dbraw/zinc/33/31/12/1078333112.db2.gz OXTUSEIYXXBCRA-MOPGFXCFSA-N 1 0 414.594 2.695 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000793915541 1078337092 /nfs/dbraw/zinc/33/70/92/1078337092.db2.gz YMQUOVRPMUXKMY-WIYYLYMNSA-N 1 0 415.578 2.897 20 0 HFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793915614 1078337101 /nfs/dbraw/zinc/33/71/01/1078337101.db2.gz ZQZSWBXDASEYQI-LMVRJCEZSA-N 1 0 415.578 2.753 20 0 HFADRO C[C@H]1C[N@H+](CCCNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCCO1 ZINC000793965873 1078348921 /nfs/dbraw/zinc/34/89/21/1078348921.db2.gz ISKIAEZLQGDNTN-WMZHIEFXSA-N 1 0 417.550 2.652 20 0 HFADRO CC1(C)CCC[N@H+](CCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793973832 1078350353 /nfs/dbraw/zinc/35/03/53/1078350353.db2.gz XQGZLXHXWBEBTE-BGYRXZFFSA-N 1 0 424.545 2.817 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000793948048 1078355665 /nfs/dbraw/zinc/35/56/65/1078355665.db2.gz JIZWUCFFHBSIQM-VAMGGRTRSA-N 1 0 407.599 2.526 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001170441708 1078356684 /nfs/dbraw/zinc/35/66/84/1078356684.db2.gz JTHDDWKLXRANKV-VIZSFHNOSA-N 1 0 413.518 2.883 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001170441469 1078360958 /nfs/dbraw/zinc/36/09/58/1078360958.db2.gz IFFURQAFOFASRG-IBGZPJMESA-N 1 0 400.519 2.840 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)c(F)cc1F ZINC000794049721 1078365605 /nfs/dbraw/zinc/36/56/05/1078365605.db2.gz CRLPWHLAHDZAHI-AWEZNQCLSA-N 1 0 424.469 2.823 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)cc1 ZINC000794050400 1078365986 /nfs/dbraw/zinc/36/59/86/1078365986.db2.gz HIKBIXFXABZQCX-DQXUBXGMSA-N 1 0 414.527 2.945 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001170443289 1078375727 /nfs/dbraw/zinc/37/57/27/1078375727.db2.gz OYXNCFZIGSCMTR-JPYJTQIMSA-N 1 0 410.518 2.989 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001170443421 1078377665 /nfs/dbraw/zinc/37/76/65/1078377665.db2.gz OSUWANXEVVETOO-JYLXEMOASA-N 1 0 400.519 2.742 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001170443963 1078392055 /nfs/dbraw/zinc/39/20/55/1078392055.db2.gz SATLEKJWJASPPC-XXBNENTESA-N 1 0 410.518 2.898 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001170444961 1078397974 /nfs/dbraw/zinc/39/79/74/1078397974.db2.gz UVUUMQYZZPJLIB-MSYCTHLASA-N 1 0 402.535 2.847 20 0 HFADRO O=C(CN1c2ccccc2OC(F)(F)C1=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000794377137 1078430735 /nfs/dbraw/zinc/43/07/35/1078430735.db2.gz SSMWOVVYEXNBDE-UHFFFAOYSA-N 1 0 407.461 2.918 20 0 HFADRO Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000804429721 1078475001 /nfs/dbraw/zinc/47/50/01/1078475001.db2.gz NQJZXBRTKZLYLG-CVDCTZTESA-N 1 0 423.557 2.656 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)CC1 ZINC001129808509 1078506592 /nfs/dbraw/zinc/50/65/92/1078506592.db2.gz XGNHJOXTUQPODH-UHFFFAOYSA-N 1 0 416.545 2.676 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000804441929 1078506996 /nfs/dbraw/zinc/50/69/96/1078506996.db2.gz VUYUHGGFTRZFDX-UHFFFAOYSA-N 1 0 401.960 2.538 20 0 HFADRO Cc1ccccc1OCCCNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000804444326 1078509318 /nfs/dbraw/zinc/50/93/18/1078509318.db2.gz ZGHYTGPOYZIZRB-VWLOTQADSA-N 1 0 423.557 2.909 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccnc(NC(=O)C(C)C)c1 ZINC001129811967 1078510036 /nfs/dbraw/zinc/51/00/36/1078510036.db2.gz CDALSBVKGKAABH-NHCUHLMSSA-N 1 0 424.545 2.943 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc2c(c1)CCN2C(C)=O ZINC001129813341 1078511467 /nfs/dbraw/zinc/51/14/67/1078511467.db2.gz MYCOWRNBUPCZAB-ISKFKSNPSA-N 1 0 421.541 2.863 20 0 HFADRO O=Cc1cccc(OCCC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000804446469 1078513647 /nfs/dbraw/zinc/51/36/47/1078513647.db2.gz HRBSYPLYAXVSRT-HSZRJFAPSA-N 1 0 421.541 2.687 20 0 HFADRO Cc1[nH]c(=S)sc1CC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446953 1078514165 /nfs/dbraw/zinc/51/41/65/1078514165.db2.gz SHIKPBCNAARZMD-GOSISDBHSA-N 1 0 416.616 2.701 20 0 HFADRO Cc1c(C(=O)N[C@H](C)[C@@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000804475790 1078518982 /nfs/dbraw/zinc/51/89/82/1078518982.db2.gz HUPCYIOJUIAXOY-WAIKUNEKSA-N 1 0 419.529 2.724 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)c1 ZINC001129548570 1078539374 /nfs/dbraw/zinc/53/93/74/1078539374.db2.gz QSRDOWZQJVBCDP-LUAWRHEFSA-N 1 0 419.503 2.615 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)c1 ZINC001129548571 1078539438 /nfs/dbraw/zinc/53/94/38/1078539438.db2.gz QSRDOWZQJVBCDP-PKNBQFBNSA-N 1 0 419.503 2.615 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000804698311 1078539445 /nfs/dbraw/zinc/53/94/45/1078539445.db2.gz XTAVPHHZPHQDIO-HNNXBMFYSA-N 1 0 400.523 2.586 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2ccc(-n3nnnc3C)cc2)c1 ZINC001129548856 1078539840 /nfs/dbraw/zinc/53/98/40/1078539840.db2.gz XTKDOAJBODEDMA-UHFFFAOYSA-N 1 0 407.478 2.503 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCc1ccc(Cl)nc1)c1ccccc1 ZINC000804697871 1078540418 /nfs/dbraw/zinc/54/04/18/1078540418.db2.gz NLBDGHRAZPYHBG-HNNXBMFYSA-N 1 0 402.926 2.639 20 0 HFADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N(CCN1CCOCC1)Cc1ccco1 ZINC001129862545 1078540558 /nfs/dbraw/zinc/54/05/58/1078540558.db2.gz CYDLHELFGQGJFW-UHFFFAOYSA-N 1 0 411.546 2.853 20 0 HFADRO COC(=O)N1CCC(CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000804685438 1078544841 /nfs/dbraw/zinc/54/48/41/1078544841.db2.gz IUYBWUWMVDTKBR-GOSISDBHSA-N 1 0 401.551 2.924 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000804524020 1078563466 /nfs/dbraw/zinc/56/34/66/1078563466.db2.gz HJRCYPAADCRIRB-ZACQAIPSSA-N 1 0 417.554 2.833 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000804527709 1078566364 /nfs/dbraw/zinc/56/63/64/1078566364.db2.gz RTYWOORCLASBFK-FUHWJXTLSA-N 1 0 420.517 2.539 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3ncoc3-c3ccccc3)cc2)CC1 ZINC001129872146 1078568763 /nfs/dbraw/zinc/56/87/63/1078568763.db2.gz JYEVCPOFGVGMNZ-UHFFFAOYSA-N 1 0 418.497 2.969 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)Cc3cc(F)ccc3F)cc2)CC1 ZINC001129871639 1078568811 /nfs/dbraw/zinc/56/88/11/1078568811.db2.gz HHQFBNSLCAPNNK-UHFFFAOYSA-N 1 0 401.457 2.521 20 0 HFADRO O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804534339 1078570954 /nfs/dbraw/zinc/57/09/54/1078570954.db2.gz OOGBGZPENUSTIC-NRFANRHFSA-N 1 0 408.531 2.595 20 0 HFADRO CCN(CC(=O)N1CCCCCC1)C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000804744455 1078579314 /nfs/dbraw/zinc/57/93/14/1078579314.db2.gz KDUSPSRGLRRLDC-KAMYIIQDSA-N 1 0 401.551 2.891 20 0 HFADRO Cn1ccc(CCC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)n1 ZINC001129610758 1078581168 /nfs/dbraw/zinc/58/11/68/1078581168.db2.gz ANEVWSRRCRISSS-UHFFFAOYSA-N 1 0 415.969 2.819 20 0 HFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804730152 1078588702 /nfs/dbraw/zinc/58/87/02/1078588702.db2.gz YGGXBBGJEASFPV-AEFFLSMTSA-N 1 0 409.452 2.622 20 0 HFADRO COc1ccc([C@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)NC(C)=O)cc1 ZINC001129933597 1078598973 /nfs/dbraw/zinc/59/89/73/1078598973.db2.gz XAGKJUWWKICLHC-NHTMILBNSA-N 1 0 421.541 2.995 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000804567103 1078602338 /nfs/dbraw/zinc/60/23/38/1078602338.db2.gz ILJUECIZDRAHJB-UHFFFAOYSA-N 1 0 413.559 2.851 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@H]1C ZINC000804777116 1078603027 /nfs/dbraw/zinc/60/30/27/1078603027.db2.gz QOMBPWLUKDSZCQ-PMPSAXMXSA-N 1 0 403.523 2.903 20 0 HFADRO O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001129665814 1078625930 /nfs/dbraw/zinc/62/59/30/1078625930.db2.gz MPMYEESHVHWTOU-CQSZACIVSA-N 1 0 424.935 2.519 20 0 HFADRO [NH2+]=C(Nc1cccc(=NN2C(=O)CCC2=O)[nH]1)c1ccc(Br)cc1F ZINC001170457726 1078629897 /nfs/dbraw/zinc/62/98/97/1078629897.db2.gz YLRPFGFQBQKXTI-UHFFFAOYSA-N 1 0 406.215 2.897 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000747215868 1078641730 /nfs/dbraw/zinc/64/17/30/1078641730.db2.gz IFBYPBJNWZENJP-MRXNPFEDSA-N 1 0 411.506 2.564 20 0 HFADRO CSC[C@H](C)C(=O)N1CCC(C(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC001129700116 1078659502 /nfs/dbraw/zinc/65/95/02/1078659502.db2.gz HHUOPOUXDBEFKD-INIZCTEOSA-N 1 0 411.637 2.876 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(-c2ccccn2)nc1 ZINC001129970725 1078664010 /nfs/dbraw/zinc/66/40/10/1078664010.db2.gz CGIWICNAJZAXCN-IFMALSPDSA-N 1 0 417.513 2.806 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001129970781 1078664079 /nfs/dbraw/zinc/66/40/79/1078664079.db2.gz DXJGONAXPQCLNE-FGZHOGPDSA-N 1 0 409.530 2.655 20 0 HFADRO COc1ccc(N2C(=O)c3ccccc3/C(=C/N[C@@H](C)C[NH+](C)C)C2=O)cc1OC ZINC000804600574 1078666168 /nfs/dbraw/zinc/66/61/68/1078666168.db2.gz CEUOHVHLBPKJIQ-CCNLRRDASA-N 1 0 409.486 2.771 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000804828726 1078667663 /nfs/dbraw/zinc/66/76/63/1078667663.db2.gz XTLXIVAWVORZLQ-PMACEKPBSA-N 1 0 414.594 2.872 20 0 HFADRO Cc1cccc2[nH]cc(CCNC(=O)C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)c21 ZINC000804622819 1078673812 /nfs/dbraw/zinc/67/38/12/1078673812.db2.gz LXXKDJKHDYTYDK-UHFFFAOYSA-N 1 0 406.530 2.855 20 0 HFADRO C[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643012 1078695941 /nfs/dbraw/zinc/69/59/41/1078695941.db2.gz CEVSZZWYQVDYDC-QFBILLFUSA-N 1 0 414.937 2.863 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000804644160 1078698329 /nfs/dbraw/zinc/69/83/29/1078698329.db2.gz YGYVLXWEXUXJKJ-BSIFCXSSSA-N 1 0 410.518 2.816 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804643990 1078698714 /nfs/dbraw/zinc/69/87/14/1078698714.db2.gz VLEYENLHMBLXPH-SIKLNZKXSA-N 1 0 408.546 2.642 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000804643972 1078698889 /nfs/dbraw/zinc/69/88/89/1078698889.db2.gz UXBJSVBQMAWZDD-HMXCVIKNSA-N 1 0 406.530 2.567 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCN3c3ccccc3)cc2)CC1 ZINC001129742855 1078715725 /nfs/dbraw/zinc/71/57/25/1078715725.db2.gz VSHAQDGXTBNCHU-HSZRJFAPSA-N 1 0 420.557 2.669 20 0 HFADRO C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000804900962 1078757188 /nfs/dbraw/zinc/75/71/88/1078757188.db2.gz AXGYCGYNZCQLQX-CKEIUWERSA-N 1 0 403.445 2.537 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC1 ZINC000804944849 1078771379 /nfs/dbraw/zinc/77/13/79/1078771379.db2.gz JJIFRVSXCHLMCU-CLOONOSVSA-N 1 0 423.557 2.742 20 0 HFADRO Cc1nc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Br)n1C ZINC000804951848 1078778898 /nfs/dbraw/zinc/77/88/98/1078778898.db2.gz BPZOJEXLTWKHMA-STQMWFEESA-N 1 0 421.405 2.527 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000804970472 1078806020 /nfs/dbraw/zinc/80/60/20/1078806020.db2.gz MXVVNHPVZUXLEV-MIGBEJBISA-N 1 0 406.958 2.654 20 0 HFADRO C[C@H]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804973574 1078810059 /nfs/dbraw/zinc/81/00/59/1078810059.db2.gz VRZQXXLKTJZXHW-YDHLFZDLSA-N 1 0 406.493 2.736 20 0 HFADRO O=C(NCCn1cc(Br)cn1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000805013766 1078823905 /nfs/dbraw/zinc/82/39/05/1078823905.db2.gz GAYJEYINJSHNSI-KRWDZBQOSA-N 1 0 420.355 2.857 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000805017719 1078828757 /nfs/dbraw/zinc/82/87/57/1078828757.db2.gz KWFLUHFXABAICY-SFHVURJKSA-N 1 0 405.461 2.778 20 0 HFADRO O=C(Cn1cc(Br)cn1)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001130042837 1078845105 /nfs/dbraw/zinc/84/51/05/1078845105.db2.gz SJVAELFAGRFLMN-PKOBYXMFSA-N 1 0 403.324 2.914 20 0 HFADRO Cc1nc(Cl)ccc1S(=O)(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000805058436 1078871395 /nfs/dbraw/zinc/87/13/95/1078871395.db2.gz RIKSJMHUJFNLGA-UHFFFAOYSA-N 1 0 401.960 2.557 20 0 HFADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1nc(C)n(C)c1Br)CC(C)C ZINC000805033410 1078880229 /nfs/dbraw/zinc/88/02/29/1078880229.db2.gz BBBMPZNPAMHIMM-CYBMUJFWSA-N 1 0 409.394 2.526 20 0 HFADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1Br ZINC000805110847 1078895110 /nfs/dbraw/zinc/89/51/10/1078895110.db2.gz LESNBEKLQGWOKT-SJCJKPOMSA-N 1 0 415.353 2.899 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170475363 1078917295 /nfs/dbraw/zinc/91/72/95/1078917295.db2.gz PEXBPMVOIVIGPK-LUKYLMHMSA-N 1 0 403.589 2.567 20 0 HFADRO C[C@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805126154 1078926164 /nfs/dbraw/zinc/92/61/64/1078926164.db2.gz CBUZSNSDGVKQEX-AJNGGQMLSA-N 1 0 408.509 2.840 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000805136784 1078933686 /nfs/dbraw/zinc/93/36/86/1078933686.db2.gz JCOCNIDXRVUJIA-GCJKJVERSA-N 1 0 406.571 2.903 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 ZINC000805137781 1078934314 /nfs/dbraw/zinc/93/43/14/1078934314.db2.gz JBOWZTVCOFGPJD-QFIPXVFZSA-N 1 0 403.567 2.951 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000805138239 1078936052 /nfs/dbraw/zinc/93/60/52/1078936052.db2.gz OOCJMYTYFKDOAA-QGZVFWFLSA-N 1 0 403.445 2.539 20 0 HFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cnn(-c2ccccc2)c1I ZINC001130098136 1078948488 /nfs/dbraw/zinc/94/84/88/1078948488.db2.gz LCMOSVPGFLKXSK-AWEZNQCLSA-N 1 0 424.286 2.643 20 0 HFADRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747231762 1078950613 /nfs/dbraw/zinc/95/06/13/1078950613.db2.gz NNZJWXIYTMIOKQ-UBHSHLNASA-N 1 0 417.731 2.849 20 0 HFADRO COC[C@@]1(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805180796 1078964874 /nfs/dbraw/zinc/96/48/74/1078964874.db2.gz DMAGCZKDABLBHD-UWJYYQICSA-N 1 0 412.575 2.576 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000805182234 1078965714 /nfs/dbraw/zinc/96/57/14/1078965714.db2.gz WBLGAAWSPXEDLW-VGSWGCGISA-N 1 0 406.571 2.903 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805184550 1078966112 /nfs/dbraw/zinc/96/61/12/1078966112.db2.gz RSINXHSWYZSASD-YXMSTPNBSA-N 1 0 406.493 2.594 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000805192135 1078968140 /nfs/dbraw/zinc/96/81/40/1078968140.db2.gz YTLJWMMAPQKJIC-QRQLOZEOSA-N 1 0 409.571 2.518 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000805197333 1078971320 /nfs/dbraw/zinc/97/13/20/1078971320.db2.gz CISHWHARGGJYCJ-RUZDIDTESA-N 1 0 423.557 2.701 20 0 HFADRO O=C(c1cccn(CC(F)(F)F)c1=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001130124979 1078975510 /nfs/dbraw/zinc/97/55/10/1078975510.db2.gz RFRDAMMBJFJNGL-AEFFLSMTSA-N 1 0 405.420 2.757 20 0 HFADRO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000805301329 1078995928 /nfs/dbraw/zinc/99/59/28/1078995928.db2.gz LDHZHBYLDYMFAU-DENIHFKCSA-N 1 0 400.523 2.525 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000747235902 1079004590 /nfs/dbraw/zinc/00/45/90/1079004590.db2.gz JIFYDUTYCZJRSG-GJZGRUSLSA-N 1 0 412.387 2.623 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cccc(NS(C)(=O)=O)c2)[NH+](C)C)cc1 ZINC000805275356 1079005310 /nfs/dbraw/zinc/00/53/10/1079005310.db2.gz KPNDXXPHFWGRMI-HXUWFJFHSA-N 1 0 419.547 2.878 20 0 HFADRO CON(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)cc1 ZINC000805279203 1079005880 /nfs/dbraw/zinc/00/58/80/1079005880.db2.gz GRFYSADKJWJMTO-UHFFFAOYSA-N 1 0 411.568 2.595 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C[C@](O)(c1nccn1C)C(F)(F)F ZINC000805277472 1079005932 /nfs/dbraw/zinc/00/59/32/1079005932.db2.gz CVGSHJUBNWCQCS-SFHVURJKSA-N 1 0 404.477 2.673 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000805278862 1079005975 /nfs/dbraw/zinc/00/59/75/1079005975.db2.gz BPJNHJXGRIMHGB-HSZRJFAPSA-N 1 0 414.550 2.567 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000805281565 1079007735 /nfs/dbraw/zinc/00/77/35/1079007735.db2.gz PYQRPFSDUVZGQB-UHFFFAOYSA-N 1 0 419.950 2.853 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000805286696 1079011553 /nfs/dbraw/zinc/01/15/53/1079011553.db2.gz RBKUVRXALJCEQE-NRFANRHFSA-N 1 0 416.566 2.912 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000805292339 1079014739 /nfs/dbraw/zinc/01/47/39/1079014739.db2.gz DDYUUJRGZGVCOE-OAQYLSRUSA-N 1 0 416.566 2.668 20 0 HFADRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001170479618 1079017075 /nfs/dbraw/zinc/01/70/75/1079017075.db2.gz KHQLYUVNDLHIAX-OAQYLSRUSA-N 1 0 423.579 2.547 20 0 HFADRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001170479649 1079017143 /nfs/dbraw/zinc/01/71/43/1079017143.db2.gz KMLPMVFHDRLCCC-PKTZIBPZSA-N 1 0 414.550 2.862 20 0 HFADRO CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001170479648 1079017182 /nfs/dbraw/zinc/01/71/82/1079017182.db2.gz KMLPMVFHDRLCCC-GOTSBHOMSA-N 1 0 414.550 2.862 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000805283671 1079009372 /nfs/dbraw/zinc/00/93/72/1079009372.db2.gz KJPYXIKMSXMHFC-NRFANRHFSA-N 1 0 416.566 2.517 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000805331532 1079022365 /nfs/dbraw/zinc/02/23/65/1079022365.db2.gz OEUFPFJZZPFVHS-DWBSNAHUSA-N 1 0 419.566 2.534 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000805336075 1079024392 /nfs/dbraw/zinc/02/43/92/1079024392.db2.gz DARKKRWCRZSYMU-IERDGZPVSA-N 1 0 418.497 2.790 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000747239775 1079052224 /nfs/dbraw/zinc/05/22/24/1079052224.db2.gz CSWQEAQVFQRBQO-KAMYIIQDSA-N 1 0 402.516 2.673 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000805420510 1079054733 /nfs/dbraw/zinc/05/47/33/1079054733.db2.gz HMLADUZGJKAIKE-NRFANRHFSA-N 1 0 416.566 2.716 20 0 HFADRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000747241733 1079056765 /nfs/dbraw/zinc/05/67/65/1079056765.db2.gz PPWQNZXEUKWACC-UHFFFAOYSA-N 1 0 409.335 2.933 20 0 HFADRO CC[C@H]1CC(N(C2CC[NH2+]CC2)S(C)(=O)=O)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170481765 1079087242 /nfs/dbraw/zinc/08/72/42/1079087242.db2.gz AFYMAQFIGLHWBE-HOTGVXAUSA-N 1 0 417.616 2.957 20 0 HFADRO O=S(=O)(/C=C/c1ccc(F)cc1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000747244157 1079099395 /nfs/dbraw/zinc/09/93/95/1079099395.db2.gz ZEDLMXCKFQTROB-LICLKQGHSA-N 1 0 403.523 2.534 20 0 HFADRO O=C(CCN1CCCS1(=O)=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001130228186 1079113538 /nfs/dbraw/zinc/11/35/38/1079113538.db2.gz HPEGCDBUWLSXIS-UHFFFAOYSA-N 1 0 411.593 2.629 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[N@H+](C)C(C)C)ccc1F ZINC000747247014 1079123211 /nfs/dbraw/zinc/12/32/11/1079123211.db2.gz ZRSHXBKMZIKCRF-UHFFFAOYSA-N 1 0 408.495 2.931 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)c2nccn2-c2ccccc2)CC1=O ZINC000805542077 1079131013 /nfs/dbraw/zinc/13/10/13/1079131013.db2.gz DXPJADOJCBPKLU-CMKODMSKSA-N 1 0 410.518 2.809 20 0 HFADRO O=C(CCCOC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)N1CCCCC1 ZINC000805542110 1079131032 /nfs/dbraw/zinc/13/10/32/1079131032.db2.gz GDVACGBHUBPBED-UHFFFAOYSA-N 1 0 402.535 2.840 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](CC3CCCCC3)CC2)ccc1F ZINC000747253470 1079154021 /nfs/dbraw/zinc/15/40/21/1079154021.db2.gz KKYMZWHPAYUYHX-UHFFFAOYSA-N 1 0 412.527 2.935 20 0 HFADRO Cc1c(C(=O)NCCc2ncc(C)cc2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001130264218 1079158258 /nfs/dbraw/zinc/15/82/58/1079158258.db2.gz POKLTTLAGAXERK-UHFFFAOYSA-N 1 0 404.518 2.548 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccn(-c3ccccc3)n2)C1 ZINC000805636715 1079190159 /nfs/dbraw/zinc/19/01/59/1079190159.db2.gz AEZUNRZWDHTDEM-SFHVURJKSA-N 1 0 411.550 2.505 20 0 HFADRO C[C@H](OC(=O)c1cnn(C)c1C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000747257078 1079187535 /nfs/dbraw/zinc/18/75/35/1079187535.db2.gz HZXHAWAQFFSWTA-INIZCTEOSA-N 1 0 410.518 2.624 20 0 HFADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001130302051 1079194233 /nfs/dbraw/zinc/19/42/33/1079194233.db2.gz VVANAWNHQFODQA-LEWJYISDSA-N 1 0 419.591 2.537 20 0 HFADRO Cc1cccc(C)c1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000805680013 1079216628 /nfs/dbraw/zinc/21/66/28/1079216628.db2.gz XGVAWPZGEAFLPD-UHFFFAOYSA-N 1 0 403.473 2.788 20 0 HFADRO CCOc1cccc(CCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000805687213 1079218729 /nfs/dbraw/zinc/21/87/29/1079218729.db2.gz ZIIPKYINXKKMBO-UHFFFAOYSA-N 1 0 401.551 2.657 20 0 HFADRO Cc1nn(CCS(C)(=O)=O)c(C)c1CN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000805791715 1079257071 /nfs/dbraw/zinc/25/70/71/1079257071.db2.gz NURLYMNKFJQVFU-UHFFFAOYSA-N 1 0 410.628 2.775 20 0 HFADRO CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805758157 1079261140 /nfs/dbraw/zinc/26/11/40/1079261140.db2.gz JAXACHUEWSZQPL-SFHVURJKSA-N 1 0 411.587 2.983 20 0 HFADRO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000805759542 1079261231 /nfs/dbraw/zinc/26/12/31/1079261231.db2.gz VEKDZMLUEIXAPN-PMACEKPBSA-N 1 0 423.985 2.870 20 0 HFADRO Cc1cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)nc(-c2ncccn2)n1 ZINC001170489224 1079285926 /nfs/dbraw/zinc/28/59/26/1079285926.db2.gz GVOQKOQADZTVDV-WWDZGPRUSA-N 1 0 417.517 2.614 20 0 HFADRO COC(=O)[C@H](C)c1ccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)nc1 ZINC001170489737 1079295620 /nfs/dbraw/zinc/29/56/20/1079295620.db2.gz MXXSGHREWIHWHN-MRLCAUJQSA-N 1 0 410.518 2.730 20 0 HFADRO C[C@H](C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)CO)c1ccccc1 ZINC000805820193 1079292631 /nfs/dbraw/zinc/29/26/31/1079292631.db2.gz GZEQXWILAFBBHG-UXHICEINSA-N 1 0 411.546 2.948 20 0 HFADRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000805868657 1079311219 /nfs/dbraw/zinc/31/12/19/1079311219.db2.gz JJDBAJKXVQLLKJ-UHFFFAOYSA-N 1 0 408.545 2.557 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1F ZINC000747271812 1079315938 /nfs/dbraw/zinc/31/59/38/1079315938.db2.gz VBSPDPKHTXTUPC-MRXNPFEDSA-N 1 0 406.479 2.555 20 0 HFADRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747281515 1079353125 /nfs/dbraw/zinc/35/31/25/1079353125.db2.gz KJFPHAJOJBWKNT-NSHDSACASA-N 1 0 409.335 2.742 20 0 HFADRO Cc1cc(N2CCOCC2)ncc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170493798 1079357631 /nfs/dbraw/zinc/35/76/31/1079357631.db2.gz RKNBVAMXBRVRQH-XEVCZEQESA-N 1 0 423.561 2.598 20 0 HFADRO C[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001130458886 1079382533 /nfs/dbraw/zinc/38/25/33/1079382533.db2.gz WTKQYZBBRJZIND-MIOZMULLSA-N 1 0 405.542 2.954 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001130475371 1079388773 /nfs/dbraw/zinc/38/87/73/1079388773.db2.gz MGWGJWUEMHKSLM-KURKYZTESA-N 1 0 407.580 2.628 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc4ccccc4n(C)c3=O)cc2)CC1 ZINC001170496181 1079395870 /nfs/dbraw/zinc/39/58/70/1079395870.db2.gz NYQKGDVUXHIXIC-WWDZGPRUSA-N 1 0 404.514 2.910 20 0 HFADRO CON(C)C(=O)c1cccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1 ZINC001170496395 1079396216 /nfs/dbraw/zinc/39/62/16/1079396216.db2.gz PGQIEQZOTADVDS-WWDZGPRUSA-N 1 0 410.518 2.692 20 0 HFADRO Cn1ncc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000806000897 1079396866 /nfs/dbraw/zinc/39/68/66/1079396866.db2.gz KUROCOYOFGZRRZ-PBHICJAKSA-N 1 0 410.444 2.716 20 0 HFADRO Cn1ncc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000806000900 1079396902 /nfs/dbraw/zinc/39/69/02/1079396902.db2.gz KUROCOYOFGZRRZ-YOEHRIQHSA-N 1 0 410.444 2.716 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cncn3)nc2)[NH+]2CCCC2)cc1 ZINC000747305078 1079428981 /nfs/dbraw/zinc/42/89/81/1079428981.db2.gz GPPQTCOQXWEMIR-HXUWFJFHSA-N 1 0 405.506 2.607 20 0 HFADRO C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000747304835 1079429880 /nfs/dbraw/zinc/42/98/80/1079429880.db2.gz OPZZYBOFAPXXAF-MRXNPFEDSA-N 1 0 412.490 2.830 20 0 HFADRO CCc1nc([C@@H](C)NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)cs1 ZINC000806115972 1079443940 /nfs/dbraw/zinc/44/39/40/1079443940.db2.gz CUAPPTHJIOGCNV-MRXNPFEDSA-N 1 0 402.564 2.516 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000806170360 1079461390 /nfs/dbraw/zinc/46/13/90/1079461390.db2.gz REIFPPRCRHVLQQ-KRWDZBQOSA-N 1 0 402.926 2.989 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccco1 ZINC000806174522 1079464125 /nfs/dbraw/zinc/46/41/25/1079464125.db2.gz XYMOZTWIDDADQF-WMLDXEAASA-N 1 0 424.523 2.712 20 0 HFADRO CCOc1ccc(OCC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130529256 1079465269 /nfs/dbraw/zinc/46/52/69/1079465269.db2.gz UEJASVJNUPPUGT-DHIUTWEWSA-N 1 0 410.514 2.966 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cc2)CC1 ZINC000806152400 1079468910 /nfs/dbraw/zinc/46/89/10/1079468910.db2.gz AUSXQLRHQOLODI-HXUWFJFHSA-N 1 0 417.554 2.913 20 0 HFADRO Cc1cccc2c1CC(C)(C)[N@H+](CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 ZINC001170501729 1079481395 /nfs/dbraw/zinc/48/13/95/1079481395.db2.gz TUTPQPFAIPPDTD-UHFFFAOYSA-N 1 0 412.534 2.808 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000806179837 1079498882 /nfs/dbraw/zinc/49/88/82/1079498882.db2.gz WIQAJZFOCNRVBM-ZGXWSNOMSA-N 1 0 405.539 2.552 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)NCc3ccc(CC[NH+](C)C)cc3)c(=O)[nH]c21 ZINC000787334717 1076746448 /nfs/dbraw/zinc/74/64/48/1076746448.db2.gz CYZYMFNRDAUOJE-KTKRTIGZSA-N 1 0 407.518 2.739 20 0 HFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000787299864 1076747817 /nfs/dbraw/zinc/74/78/17/1076747817.db2.gz KTUOYQWXYNCOEW-IRXDYDNUSA-N 1 0 405.564 2.776 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccccc1I ZINC000787304083 1076751136 /nfs/dbraw/zinc/75/11/36/1076751136.db2.gz PWSJFLMFNMOSLW-CQSZACIVSA-N 1 0 400.304 2.976 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000787303310 1076751945 /nfs/dbraw/zinc/75/19/45/1076751945.db2.gz KYDWMALSXHAFDZ-YJBOKZPZSA-N 1 0 404.523 2.910 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC000787313182 1076759320 /nfs/dbraw/zinc/75/93/20/1076759320.db2.gz WDVHHWMAEZKKIZ-IBGZPJMESA-N 1 0 417.550 2.795 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347026 1076788314 /nfs/dbraw/zinc/78/83/14/1076788314.db2.gz RYPRBDSIJFBROL-HZPDHXFCSA-N 1 0 405.543 2.738 20 0 HFADRO C[C@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000746677670 1076792044 /nfs/dbraw/zinc/79/20/44/1076792044.db2.gz SDGIANYKBAKLEH-HZPDHXFCSA-N 1 0 400.548 2.770 20 0 HFADRO C[C@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C(C)(C)C[NH+](C)C ZINC000787388178 1076804252 /nfs/dbraw/zinc/80/42/52/1076804252.db2.gz QKHOJDSIUMMHOR-LSDHHAIUSA-N 1 0 407.559 2.840 20 0 HFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC[N@@H+]1C ZINC000787388319 1076805230 /nfs/dbraw/zinc/80/52/30/1076805230.db2.gz UKUHXUIFBXKFML-OWCLPIDISA-N 1 0 405.543 2.689 20 0 HFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393287 1076806344 /nfs/dbraw/zinc/80/63/44/1076806344.db2.gz IDJQRZQVHQRHCJ-IAGOWNOFSA-N 1 0 419.570 2.938 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccc(F)c(F)c3)n2)CC1 ZINC000787494015 1076825232 /nfs/dbraw/zinc/82/52/32/1076825232.db2.gz OHRBTLNTTCZWRJ-GOSISDBHSA-N 1 0 417.460 2.730 20 0 HFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n1)CC2 ZINC000787494574 1076825690 /nfs/dbraw/zinc/82/56/90/1076825690.db2.gz QNJQRBPCGRPEGH-MRXNPFEDSA-N 1 0 417.554 2.835 20 0 HFADRO C[C@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1nc2ccccc2s1 ZINC000787494570 1076825744 /nfs/dbraw/zinc/82/57/44/1076825744.db2.gz PFZZIWQMZLHPCH-ZDUSSCGKSA-N 1 0 412.519 2.575 20 0 HFADRO CCN(C(=O)c1cc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)ccc1Cl)C(C)C ZINC000787507477 1076829813 /nfs/dbraw/zinc/82/98/13/1076829813.db2.gz DGIQXASKJYXKRD-HNNXBMFYSA-N 1 0 422.957 2.750 20 0 HFADRO C[C@@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1=CC[N@H+](C)CC1 ZINC000787511915 1076830957 /nfs/dbraw/zinc/83/09/57/1076830957.db2.gz ZYEGEJGAGIOXBQ-GDBMZVCRSA-N 1 0 403.527 2.514 20 0 HFADRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787483796 1076841905 /nfs/dbraw/zinc/84/19/05/1076841905.db2.gz TZKUUIKRKVCSQN-DOTOQJQBSA-N 1 0 419.570 2.936 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000746701284 1076880679 /nfs/dbraw/zinc/88/06/79/1076880679.db2.gz GCDAFLRVGVKIRE-QRQLOZEOSA-N 1 0 408.564 2.788 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)on1)c1ccsc1 ZINC000787618784 1076880813 /nfs/dbraw/zinc/88/08/13/1076880813.db2.gz YXVATGKYAGGYRK-MSOLQXFVSA-N 1 0 404.536 2.907 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1c1cc(C)on1)Cc1ccccc1 ZINC000787623622 1076882376 /nfs/dbraw/zinc/88/23/76/1076882376.db2.gz AZIGLCUFRWDIID-TZIWHRDSSA-N 1 0 412.534 2.716 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C1 ZINC000787630896 1076884253 /nfs/dbraw/zinc/88/42/53/1076884253.db2.gz XLYZSWHEROADOR-CALCHBBNSA-N 1 0 405.498 2.545 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)c3cccn3C3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC000787636030 1076886327 /nfs/dbraw/zinc/88/63/27/1076886327.db2.gz NMZAPIRDDAYOJN-CALCHBBNSA-N 1 0 402.539 2.694 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C ZINC000787643167 1076894017 /nfs/dbraw/zinc/89/40/17/1076894017.db2.gz QUWRTXLIQYSBBS-HZPDHXFCSA-N 1 0 418.538 2.752 20 0 HFADRO COCc1cc(OC)ccc1N(CC[NH3+])S(=O)(=O)c1cccc2cnccc21 ZINC001170076161 1076906083 /nfs/dbraw/zinc/90/60/83/1076906083.db2.gz RULQNFBCHHOBHU-UHFFFAOYSA-N 1 0 401.488 2.544 20 0 HFADRO CN(C)Cc1c(F)cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc1F ZINC001170076196 1076906885 /nfs/dbraw/zinc/90/68/85/1076906885.db2.gz TXRPLXDSOHYYMU-UHFFFAOYSA-N 1 0 420.485 2.729 20 0 HFADRO C[N@H+](CCCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)C1CCCCC1 ZINC000787686785 1076911894 /nfs/dbraw/zinc/91/18/94/1076911894.db2.gz GOXLABJCPVUPCI-RBUKOAKNSA-N 1 0 421.607 2.933 20 0 HFADRO CN1CC[C@H]([NH2+]C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000787687716 1076912127 /nfs/dbraw/zinc/91/21/27/1076912127.db2.gz HTFWXBMYCGAXND-PCCBWWKXSA-N 1 0 424.513 2.611 20 0 HFADRO Cc1cccc(C[NH+]2CCN([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)c1 ZINC000787688972 1076912500 /nfs/dbraw/zinc/91/25/00/1076912500.db2.gz QIWZGZICMFFWQV-NFBKMPQASA-N 1 0 403.567 2.873 20 0 HFADRO Cc1ccccc1C[NH+]1CCN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787690629 1076913871 /nfs/dbraw/zinc/91/38/71/1076913871.db2.gz YKDZEVOVPGDIFX-OFNKIYASSA-N 1 0 403.567 2.873 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000787703881 1076919242 /nfs/dbraw/zinc/91/92/42/1076919242.db2.gz DWKVODKOSZDSKF-WMZHIEFXSA-N 1 0 417.550 2.641 20 0 HFADRO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)CC1 ZINC000787750050 1076926085 /nfs/dbraw/zinc/92/60/85/1076926085.db2.gz BNYNZCFLTDPJHA-SFHVURJKSA-N 1 0 417.531 2.608 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCc2ccc(NC(C)=O)cc2)CCN1C(=O)OC(C)(C)C ZINC000787751113 1076926261 /nfs/dbraw/zinc/92/62/61/1076926261.db2.gz JTZHNRSOZCOTNB-MOPGFXCFSA-N 1 0 419.522 2.718 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)CCC2 ZINC000787751183 1076926299 /nfs/dbraw/zinc/92/62/99/1076926299.db2.gz KEQRKTWLURNCIP-MOPGFXCFSA-N 1 0 412.559 2.898 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)CCC2 ZINC000787751186 1076926331 /nfs/dbraw/zinc/92/63/31/1076926331.db2.gz KEQRKTWLURNCIP-RTBURBONSA-N 1 0 412.559 2.898 20 0 HFADRO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000787752367 1076926833 /nfs/dbraw/zinc/92/68/33/1076926833.db2.gz XKLRFDUIRQLPSY-DENIHFKCSA-N 1 0 419.591 2.837 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000787752144 1076927019 /nfs/dbraw/zinc/92/70/19/1076927019.db2.gz SDGINFYZYIJXTK-SIKLNZKXSA-N 1 0 409.530 2.832 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000787760404 1076929658 /nfs/dbraw/zinc/92/96/58/1076929658.db2.gz ILLWGWQDBOEGON-XHSDSOJGSA-N 1 0 411.568 2.776 20 0 HFADRO Cn1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C(F)(F)F)n1 ZINC000787761332 1076929880 /nfs/dbraw/zinc/92/98/80/1076929880.db2.gz JQYQLWZLKKOBKS-GJZGRUSLSA-N 1 0 418.460 2.943 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000787767819 1076941361 /nfs/dbraw/zinc/94/13/61/1076941361.db2.gz RFUZCDCQPGSAPA-UHFFFAOYSA-N 1 0 415.987 2.928 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)CO[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)CC1 ZINC000787771910 1076942155 /nfs/dbraw/zinc/94/21/55/1076942155.db2.gz GJKWDKFGMJFINO-QGZVFWFLSA-N 1 0 421.542 2.504 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000787877190 1076972418 /nfs/dbraw/zinc/97/24/18/1076972418.db2.gz NPRMMVZEHWLADM-IBGZPJMESA-N 1 0 403.910 2.970 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000787891938 1076980641 /nfs/dbraw/zinc/98/06/41/1076980641.db2.gz IWLIKVZCZNLXGZ-OAQYLSRUSA-N 1 0 417.550 2.654 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000787904490 1076988636 /nfs/dbraw/zinc/98/86/36/1076988636.db2.gz SZGLKUWUKHXTDX-DENIHFKCSA-N 1 0 415.578 2.729 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000787906903 1076990070 /nfs/dbraw/zinc/99/00/70/1076990070.db2.gz VKURJNQBHLIBPR-MRXNPFEDSA-N 1 0 412.456 2.566 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000787909789 1076991781 /nfs/dbraw/zinc/99/17/81/1076991781.db2.gz JQSVPBLZVSFAHS-ZGXWSNOMSA-N 1 0 419.566 2.568 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000787911246 1076992057 /nfs/dbraw/zinc/99/20/57/1076992057.db2.gz NMDJFGAUIBIBMB-YRNRMSPPSA-N 1 0 405.970 2.798 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)CCC2 ZINC000787916837 1076994774 /nfs/dbraw/zinc/99/47/74/1076994774.db2.gz YQJUMMQTUIHMMU-QWFCFKBJSA-N 1 0 417.598 2.832 20 0 HFADRO CC(=O)OCCCS(=O)(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000787919324 1076996378 /nfs/dbraw/zinc/99/63/78/1076996378.db2.gz JVWWUFYFTVGVJK-UHFFFAOYSA-N 1 0 404.532 2.788 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[NH+]3CCC(C)CC3)C2)cc1 ZINC000787894933 1077002928 /nfs/dbraw/zinc/00/29/28/1077002928.db2.gz OFXLWVZQVYLOEB-NRFANRHFSA-N 1 0 414.594 2.708 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000746722860 1077021968 /nfs/dbraw/zinc/02/19/68/1077021968.db2.gz OABKHSFEIKWSCW-GOSISDBHSA-N 1 0 408.518 2.627 20 0 HFADRO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787993797 1077021984 /nfs/dbraw/zinc/02/19/84/1077021984.db2.gz XVMWAYUZAZXOSX-NHCICSSKSA-N 1 0 415.578 2.726 20 0 HFADRO Cc1nn(C)c(Cl)c1CN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000788005984 1077026950 /nfs/dbraw/zinc/02/69/50/1077026950.db2.gz KMTDOEYBCFAAOS-QGZVFWFLSA-N 1 0 417.985 2.983 20 0 HFADRO CC(C)Oc1ccc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000787983349 1077032095 /nfs/dbraw/zinc/03/20/95/1077032095.db2.gz NUMOHICTYXQSBS-DEOSSOPVSA-N 1 0 424.545 2.513 20 0 HFADRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000788038960 1077037028 /nfs/dbraw/zinc/03/70/28/1077037028.db2.gz AHXPZZYUDDATJS-HNNXBMFYSA-N 1 0 417.597 2.580 20 0 HFADRO CCN(CCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1C ZINC000788042049 1077038465 /nfs/dbraw/zinc/03/84/65/1077038465.db2.gz WYNZBUKDDBJLQX-UHFFFAOYSA-N 1 0 414.594 2.851 20 0 HFADRO O=C1C(=O)N(CN2CC[C@@H]([NH+]3CCCC3)C2)c2ccc(Br)c(Cl)c21 ZINC000788046210 1077040652 /nfs/dbraw/zinc/04/06/52/1077040652.db2.gz KAZJJZZJTLSENB-LLVKDONJSA-N 1 0 412.715 2.759 20 0 HFADRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(C)c(N4CCOC4=O)c3)CC2)c1 ZINC000746733265 1077067098 /nfs/dbraw/zinc/06/70/98/1077067098.db2.gz ZWWIKOVIFVVELU-UHFFFAOYSA-N 1 0 411.462 2.709 20 0 HFADRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)C1 ZINC000788207165 1077079596 /nfs/dbraw/zinc/07/95/96/1077079596.db2.gz FGMRYPRFQDPTQD-URXFXBBRSA-N 1 0 408.498 2.670 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCc2ccc(-c3ccccc3)cc2)CCSC1 ZINC000788240599 1077084577 /nfs/dbraw/zinc/08/45/77/1077084577.db2.gz DAUXUNCOQNKMKO-QHCPKHFHSA-N 1 0 411.571 2.566 20 0 HFADRO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000788259492 1077088147 /nfs/dbraw/zinc/08/81/47/1077088147.db2.gz WGWCVZGSCWPRSO-MSOLQXFVSA-N 1 0 415.600 2.759 20 0 HFADRO COC(=O)CCc1nc(COC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)no1 ZINC000772717715 1077093116 /nfs/dbraw/zinc/09/31/16/1077093116.db2.gz HWOUARMOLGBZAR-UHFFFAOYSA-N 1 0 401.463 2.521 20 0 HFADRO COc1ccccc1[C@H](O)CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000788281968 1077097031 /nfs/dbraw/zinc/09/70/31/1077097031.db2.gz OAXIBXDMBWEORF-HXUWFJFHSA-N 1 0 408.502 2.584 20 0 HFADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788281903 1077097130 /nfs/dbraw/zinc/09/71/30/1077097130.db2.gz GXSDDHPANJPXEW-INIZCTEOSA-N 1 0 402.539 2.665 20 0 HFADRO C[NH+]1CCC(CNC(=S)N2CCN(C(=O)c3cc4ccccc4s3)CC2)CC1 ZINC000788341159 1077110347 /nfs/dbraw/zinc/11/03/47/1077110347.db2.gz DWIKWYXKERZNJZ-UHFFFAOYSA-N 1 0 416.616 2.875 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000746742852 1077114184 /nfs/dbraw/zinc/11/41/84/1077114184.db2.gz OLKQRJHIAMNNRJ-GOSISDBHSA-N 1 0 402.539 2.913 20 0 HFADRO Cn1cc(-c2ccc(=O)n(CN3CC[NH+](Cc4cccc5ccccc54)CC3)n2)cn1 ZINC000788361774 1077125864 /nfs/dbraw/zinc/12/58/64/1077125864.db2.gz CWVJAFIDOBINIX-UHFFFAOYSA-N 1 0 414.513 2.572 20 0 HFADRO CN(C)c1ccc(C2CCN(C(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000788460737 1077166695 /nfs/dbraw/zinc/16/66/95/1077166695.db2.gz PLSJGXKHRFCFEB-UHFFFAOYSA-N 1 0 422.573 2.837 20 0 HFADRO Cc1cccc(N2CC[NH+](CCN3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C ZINC000788472848 1077170673 /nfs/dbraw/zinc/17/06/73/1077170673.db2.gz CJVHGVRUUXHQHG-UHFFFAOYSA-N 1 0 402.583 2.978 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(OC)c(OC)c2)CCN1C(=O)OC(C)(C)C ZINC000788497043 1077181919 /nfs/dbraw/zinc/18/19/19/1077181919.db2.gz CVOGDJTXHKLZHQ-CRAIPNDOSA-N 1 0 408.495 2.735 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788504434 1077185220 /nfs/dbraw/zinc/18/52/20/1077185220.db2.gz QFPJKMMBOUBJIN-OTWHNJEPSA-N 1 0 405.539 2.820 20 0 HFADRO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)NCCSC(F)(F)F)c2)CC1 ZINC000788517165 1077188764 /nfs/dbraw/zinc/18/87/64/1077188764.db2.gz BBDPVCSYUBCBBE-UHFFFAOYSA-N 1 0 417.497 2.904 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000788517573 1077189416 /nfs/dbraw/zinc/18/94/16/1077189416.db2.gz DOLQYBIAPSYAQJ-UHFFFAOYSA-N 1 0 422.473 2.769 20 0 HFADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000788525153 1077191226 /nfs/dbraw/zinc/19/12/26/1077191226.db2.gz BVVOOTGQWBQABZ-GDBMZVCRSA-N 1 0 417.497 2.867 20 0 HFADRO CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(C)C ZINC000788483984 1077191975 /nfs/dbraw/zinc/19/19/75/1077191975.db2.gz GPXPZMAKONSJNY-ITGUQSILSA-N 1 0 419.410 2.859 20 0 HFADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1c1cccs1 ZINC000788543364 1077195278 /nfs/dbraw/zinc/19/52/78/1077195278.db2.gz UTOJPGWGLIIDEY-WCQYABFASA-N 1 0 409.499 2.616 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000788546842 1077196453 /nfs/dbraw/zinc/19/64/53/1077196453.db2.gz GTOAJGAHDWGMNC-YQQQUEKLSA-N 1 0 421.582 2.783 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000788548939 1077197148 /nfs/dbraw/zinc/19/71/48/1077197148.db2.gz SEBZSMYVJSITHD-UHFFFAOYSA-N 1 0 417.369 2.801 20 0 HFADRO Cc1cc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cnc1Cl ZINC000788529346 1077204101 /nfs/dbraw/zinc/20/41/01/1077204101.db2.gz LOJRQHXHXOUOAC-GOSISDBHSA-N 1 0 405.901 2.990 20 0 HFADRO Cc1cc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cnc1Cl ZINC000788529347 1077204164 /nfs/dbraw/zinc/20/41/64/1077204164.db2.gz LOJRQHXHXOUOAC-SFHVURJKSA-N 1 0 405.901 2.990 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000788535486 1077205699 /nfs/dbraw/zinc/20/56/99/1077205699.db2.gz FHLUIRSAUOPNKE-UHFFFAOYSA-N 1 0 403.976 2.784 20 0 HFADRO COc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cnc1Br ZINC000788587213 1077213281 /nfs/dbraw/zinc/21/32/81/1077213281.db2.gz FZZVSGJOURSIQF-UHFFFAOYSA-N 1 0 405.296 2.642 20 0 HFADRO C[C@@H]1OCC[C@]1(O)CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000788595900 1077217320 /nfs/dbraw/zinc/21/73/20/1077217320.db2.gz HLHUZBCDTQLIOQ-JTSKRJEESA-N 1 0 418.538 2.553 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)C2)C1 ZINC000788600407 1077219126 /nfs/dbraw/zinc/21/91/26/1077219126.db2.gz CLHNOUBVGWHJQI-PZJWPPBQSA-N 1 0 415.578 2.859 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)C2)C1 ZINC000788601397 1077219769 /nfs/dbraw/zinc/21/97/69/1077219769.db2.gz JGFAKPBRQRPOJB-TZIWHRDSSA-N 1 0 415.578 2.859 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C[NH+]1CCCCC1 ZINC000788645194 1077223095 /nfs/dbraw/zinc/22/30/95/1077223095.db2.gz NMACRACPZMDNPY-QMMLZNLJSA-N 1 0 424.545 2.817 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000788618105 1077229994 /nfs/dbraw/zinc/22/99/94/1077229994.db2.gz RPFZJWRAGLITIO-HNNXBMFYSA-N 1 0 400.483 2.626 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000790924676 1077233489 /nfs/dbraw/zinc/23/34/89/1077233489.db2.gz QOLIPJOXRVCBGC-UHFFFAOYSA-N 1 0 422.938 2.749 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H](O)c3cccc(F)c3)cc2)CC1 ZINC000790927158 1077235264 /nfs/dbraw/zinc/23/52/64/1077235264.db2.gz RAZUWXLNCPAHSM-NRFANRHFSA-N 1 0 401.482 2.832 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000790928020 1077235815 /nfs/dbraw/zinc/23/58/15/1077235815.db2.gz VTSNFNXYHISJFT-UHFFFAOYSA-N 1 0 418.538 2.580 20 0 HFADRO CC1CC[NH+](CCCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000788630955 1077236695 /nfs/dbraw/zinc/23/66/95/1077236695.db2.gz QINZLMNBBUNJAN-NHCUHLMSSA-N 1 0 424.545 2.817 20 0 HFADRO O=C(NCC[NH+]1CCCCCC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788636829 1077241259 /nfs/dbraw/zinc/24/12/59/1077241259.db2.gz LETYIFRLBXIWAX-BGYRXZFFSA-N 1 0 410.518 2.571 20 0 HFADRO Clc1ccc2c(n1)[C@H]([NH2+][C@@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)CC2 ZINC000788637950 1077242169 /nfs/dbraw/zinc/24/21/69/1077242169.db2.gz CUHHGESKRYUUQD-IAGOWNOFSA-N 1 0 414.941 2.608 20 0 HFADRO COc1cccc([C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)[NH+](C)C)c1 ZINC000788687018 1077250874 /nfs/dbraw/zinc/25/08/74/1077250874.db2.gz CRAPNJCBMDHYOC-YADHBBJMSA-N 1 0 424.545 2.740 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170146495 1077258589 /nfs/dbraw/zinc/25/85/89/1077258589.db2.gz PYMMFKTWOPTRSZ-VGSWGCGISA-N 1 0 409.571 2.926 20 0 HFADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)C2=O)c1 ZINC000788668044 1077260792 /nfs/dbraw/zinc/26/07/92/1077260792.db2.gz WPZKZHZJFPFNII-IFXJQAMLSA-N 1 0 419.522 2.654 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1cnn(C)c1 ZINC000788668857 1077260952 /nfs/dbraw/zinc/26/09/52/1077260952.db2.gz UMHJTBDQLANQMF-LJQANCHMSA-N 1 0 421.586 2.909 20 0 HFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000790999569 1077264583 /nfs/dbraw/zinc/26/45/83/1077264583.db2.gz ZENVFIKYQNRCQG-CRAIPNDOSA-N 1 0 403.976 2.625 20 0 HFADRO Cc1c(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)sc2nc(C)nc(C)c12 ZINC000791006200 1077265864 /nfs/dbraw/zinc/26/58/64/1077265864.db2.gz DBASRNHJGURSFJ-UHFFFAOYSA-N 1 0 405.545 2.672 20 0 HFADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788713458 1077268177 /nfs/dbraw/zinc/26/81/77/1077268177.db2.gz VVPBFELPTNBYSN-ICSRJNTNSA-N 1 0 405.539 2.807 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cn(CC(C)C)c(=O)cn3)nc3ccc(C)cc3n12 ZINC001170147851 1077282758 /nfs/dbraw/zinc/28/27/58/1077282758.db2.gz IZDDWIIUFQWZJN-UHFFFAOYSA-N 1 0 405.506 2.809 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2nc(Br)ccc2F)CC1 ZINC000788743683 1077287534 /nfs/dbraw/zinc/28/75/34/1077287534.db2.gz ZWDAWVVHDDHNTN-LLVKDONJSA-N 1 0 408.337 2.696 20 0 HFADRO CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788748708 1077289565 /nfs/dbraw/zinc/28/95/65/1077289565.db2.gz YWWKJEPVCCOLDE-LEWJYISDSA-N 1 0 412.509 2.871 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cccc4c3NC(=O)CO4)nc3ccc(C)cc3n12 ZINC001170148414 1077293637 /nfs/dbraw/zinc/29/36/37/1077293637.db2.gz LANPWCHTPZNZQB-UHFFFAOYSA-N 1 0 402.458 2.927 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000788807076 1077293874 /nfs/dbraw/zinc/29/38/74/1077293874.db2.gz LYIVLLDQUDAPCZ-UHFFFAOYSA-N 1 0 403.918 2.557 20 0 HFADRO Nc1nc(N2CCC[C@H](OC(=O)c3nn(-c4ccccc4)c4c3CCC4)C2)cc[nH+]1 ZINC000791106006 1077300220 /nfs/dbraw/zinc/30/02/20/1077300220.db2.gz HBFIBJLHYHNMIO-INIZCTEOSA-N 1 0 404.474 2.559 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@H]3CCN(Cc4ccc(F)cc4)C3=O)C2)C1 ZINC000788784311 1077301222 /nfs/dbraw/zinc/30/12/22/1077301222.db2.gz QLGFSSHDTYASJB-SFHVURJKSA-N 1 0 403.498 2.916 20 0 HFADRO CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788820396 1077308272 /nfs/dbraw/zinc/30/82/72/1077308272.db2.gz OAHVDYSOJHNKKP-FKBYEOEOSA-N 1 0 406.530 2.874 20 0 HFADRO CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788823025 1077309809 /nfs/dbraw/zinc/30/98/09/1077309809.db2.gz RUNWGTUEHQIEDX-QFIPXVFZSA-N 1 0 421.545 2.741 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000791156690 1077311364 /nfs/dbraw/zinc/31/13/64/1077311364.db2.gz WWOUOQXYABTSGP-OCUNKTDNSA-N 1 0 410.514 2.947 20 0 HFADRO CCCS(=O)(=O)NC1CC[NH+](C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000788842280 1077317214 /nfs/dbraw/zinc/31/72/14/1077317214.db2.gz DQRYSXGRBQCZEM-KRWDZBQOSA-N 1 0 405.605 2.720 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000788852517 1077320123 /nfs/dbraw/zinc/32/01/23/1077320123.db2.gz HFQORQUBQQOSJK-KZNAEPCWSA-N 1 0 418.538 2.845 20 0 HFADRO C[NH+](C)CCOc1ccc(CCNS(=O)(=O)C2=Cc3ccccc3OC2)cc1 ZINC000788889043 1077332934 /nfs/dbraw/zinc/33/29/34/1077332934.db2.gz BISRPVBWECAJEQ-UHFFFAOYSA-N 1 0 402.516 2.522 20 0 HFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788925175 1077338013 /nfs/dbraw/zinc/33/80/13/1077338013.db2.gz CULINJIGOYHMPW-APWZRJJASA-N 1 0 414.550 2.980 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC000788907258 1077348666 /nfs/dbraw/zinc/34/86/66/1077348666.db2.gz VISUUDCIWVRCTN-UHFFFAOYSA-N 1 0 408.564 2.820 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccc1F ZINC000788915810 1077353836 /nfs/dbraw/zinc/35/38/36/1077353836.db2.gz KYMWUNKAKHLQIM-IFXJQAMLSA-N 1 0 408.495 2.890 20 0 HFADRO CC(=O)NCc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000788918853 1077355583 /nfs/dbraw/zinc/35/55/83/1077355583.db2.gz WUOXHNRFXYTXIZ-JOCHJYFZSA-N 1 0 415.559 2.828 20 0 HFADRO Cc1cc(-n2ccnc2)ccc1COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000791274436 1077356253 /nfs/dbraw/zinc/35/62/53/1077356253.db2.gz OEILGACRAADGBE-UHFFFAOYSA-N 1 0 411.483 2.978 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)CC1 ZINC000791295829 1077359688 /nfs/dbraw/zinc/35/96/88/1077359688.db2.gz WPLHRENEXBHPHK-UHFFFAOYSA-N 1 0 423.435 2.657 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)CNC(=O)OCc3ccccc3)cc2)CC1 ZINC000791302611 1077364065 /nfs/dbraw/zinc/36/40/65/1077364065.db2.gz ZGSJLKQNPNGDOZ-UHFFFAOYSA-N 1 0 411.502 2.702 20 0 HFADRO COC(=O)[C@@H](C)C[N@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000772728678 1077380274 /nfs/dbraw/zinc/38/02/74/1077380274.db2.gz IHPBRHPUDWVRRI-YESZJQIVSA-N 1 0 403.523 2.512 20 0 HFADRO O=C(c1nc(Br)sc1C1CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000791379519 1077387754 /nfs/dbraw/zinc/38/77/54/1077387754.db2.gz JTBWGAUYJMPNEC-LLVKDONJSA-N 1 0 400.342 2.577 20 0 HFADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000746787328 1077398043 /nfs/dbraw/zinc/39/80/43/1077398043.db2.gz ASUUNNDCGRQBKE-UHFFFAOYSA-N 1 0 404.511 2.597 20 0 HFADRO NC(=O)c1cc(OC2CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)ccn1 ZINC000791488508 1077428427 /nfs/dbraw/zinc/42/84/27/1077428427.db2.gz QEDKEPXVNJQICB-HXUWFJFHSA-N 1 0 405.498 2.781 20 0 HFADRO CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000746788723 1077444288 /nfs/dbraw/zinc/44/42/88/1077444288.db2.gz VVNKJGLMIXXHTP-UHFFFAOYSA-N 1 0 402.539 2.533 20 0 HFADRO C[C@@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791475964 1077446641 /nfs/dbraw/zinc/44/66/41/1077446641.db2.gz RMHMQCGUMWLZRD-CZUORRHYSA-N 1 0 419.884 2.997 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000791509169 1077448721 /nfs/dbraw/zinc/44/87/21/1077448721.db2.gz RVBPOZZXDZGGSS-QHCPKHFHSA-N 1 0 423.513 2.761 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000791510238 1077449249 /nfs/dbraw/zinc/44/92/49/1077449249.db2.gz NYDWCIGUTMEHIG-WAIKUNEKSA-N 1 0 423.513 2.760 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)COc2ccc(F)cc2Br)CC1 ZINC000791520234 1077453288 /nfs/dbraw/zinc/45/32/88/1077453288.db2.gz LRAYZLPDCQVEMD-UHFFFAOYSA-N 1 0 417.319 2.926 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(CNC(=S)NCCc3ccc(F)cc3)cn2)CC1 ZINC000789193552 1077455132 /nfs/dbraw/zinc/45/51/32/1077455132.db2.gz CUPRADGMSKVQSM-UHFFFAOYSA-N 1 0 401.555 2.569 20 0 HFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=S)NCCc2ccc(F)cc2)CC1 ZINC000789209937 1077463550 /nfs/dbraw/zinc/46/35/50/1077463550.db2.gz YZBIODDYWFFYJH-UHFFFAOYSA-N 1 0 422.614 2.659 20 0 HFADRO COc1ccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c(OCC(C)C)c1 ZINC000789225342 1077482531 /nfs/dbraw/zinc/48/25/31/1077482531.db2.gz QMIHWPUURSJXOO-UHFFFAOYSA-N 1 0 406.523 2.876 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000789226394 1077482843 /nfs/dbraw/zinc/48/28/43/1077482843.db2.gz HXYUQYPQTHSVSV-NRFANRHFSA-N 1 0 423.513 2.638 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792895 1077484413 /nfs/dbraw/zinc/48/44/13/1077484413.db2.gz BTCQTBPVJUKFQQ-LJQANCHMSA-N 1 0 409.534 2.618 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000791596148 1077496795 /nfs/dbraw/zinc/49/67/95/1077496795.db2.gz YTEDWRUSHCZFFC-WZONZLPQSA-N 1 0 423.513 2.978 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000791641393 1077505137 /nfs/dbraw/zinc/50/51/37/1077505137.db2.gz XKAVZANUGRJCCN-UHFFFAOYSA-N 1 0 419.610 2.668 20 0 HFADRO CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCCC[NH+](C)C)cc2)cc1 ZINC000791643214 1077506569 /nfs/dbraw/zinc/50/65/69/1077506569.db2.gz KNDARUIHNSYHSS-UHFFFAOYSA-N 1 0 406.504 2.995 20 0 HFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1c1ccccc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001086600523 1077506978 /nfs/dbraw/zinc/50/69/78/1077506978.db2.gz YQTWYUSLPCSFKO-XHZJXSRYSA-N 1 0 418.537 2.687 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](C[C@H](O)C3CCCCC3)C2)CC1 ZINC000789310834 1077509146 /nfs/dbraw/zinc/50/91/46/1077509146.db2.gz WDEPJZDUNSHTMB-PMACEKPBSA-N 1 0 423.598 2.719 20 0 HFADRO Cc1cc(C)nc(-n2nccc2NC(=O)N(CCc2ccccc2)CC[NH+](C)C)n1 ZINC000789311325 1077509870 /nfs/dbraw/zinc/50/98/70/1077509870.db2.gz JSFPCVZFYBOWSW-UHFFFAOYSA-N 1 0 407.522 2.917 20 0 HFADRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789313318 1077510853 /nfs/dbraw/zinc/51/08/53/1077510853.db2.gz AIGLCJDSATWHFO-NSHDSACASA-N 1 0 422.835 2.602 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C)o3)C2)c1 ZINC000791636195 1077521150 /nfs/dbraw/zinc/52/11/50/1077521150.db2.gz FFVCSEZLQVKWJU-OAQYLSRUSA-N 1 0 415.490 2.689 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000789326524 1077521140 /nfs/dbraw/zinc/52/11/40/1077521140.db2.gz ZPBORHMXEDDVHA-AWEZNQCLSA-N 1 0 423.526 2.557 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000791707673 1077521721 /nfs/dbraw/zinc/52/17/21/1077521721.db2.gz YCMPTOQLKWLDHB-HNKPZJSLSA-N 1 0 423.513 2.834 20 0 HFADRO Cc1ccc([C@@](O)(CC(=O)OCCCN2CC[NH+](C(C)C)CC2)C(F)(F)F)o1 ZINC000791673172 1077524258 /nfs/dbraw/zinc/52/42/58/1077524258.db2.gz BQKSDSMUAGWQDT-SFHVURJKSA-N 1 0 406.445 2.687 20 0 HFADRO O=C(Nc1nc(-c2ccccc2)cs1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746805446 1077530808 /nfs/dbraw/zinc/53/08/08/1077530808.db2.gz URNZKZNMYPBDFI-QGZVFWFLSA-N 1 0 414.531 2.508 20 0 HFADRO Cc1ccc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(N(C)C)cc2)c(C)c1 ZINC000789393293 1077536175 /nfs/dbraw/zinc/53/61/75/1077536175.db2.gz NNHIPKVXRXGZEU-UHFFFAOYSA-O 1 0 409.539 2.589 20 0 HFADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000791718023 1077537876 /nfs/dbraw/zinc/53/78/76/1077537876.db2.gz KLJJRJMJIYQJJJ-QPAHGTMLSA-N 1 0 408.481 2.926 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000789362761 1077538211 /nfs/dbraw/zinc/53/82/11/1077538211.db2.gz BAKBBZKBPVIOSI-OAHLLOKOSA-N 1 0 403.504 2.526 20 0 HFADRO CC(C)N(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000746803046 1077542278 /nfs/dbraw/zinc/54/22/78/1077542278.db2.gz KTGXRBFWOASJGT-KRWDZBQOSA-N 1 0 404.530 2.799 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000791764971 1077557004 /nfs/dbraw/zinc/55/70/04/1077557004.db2.gz DSNLWAKMSZZCKS-LJQANCHMSA-N 1 0 407.942 2.652 20 0 HFADRO CCOCCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000789402879 1077560586 /nfs/dbraw/zinc/56/05/86/1077560586.db2.gz SJXAYKKYDYZRMP-UHFFFAOYSA-O 1 0 424.550 2.531 20 0 HFADRO C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000746807965 1077566655 /nfs/dbraw/zinc/56/66/55/1077566655.db2.gz CUAUKXHGIZZWFO-FPOVZHCZSA-N 1 0 420.557 2.857 20 0 HFADRO CNC(=O)c1cncc(/C=C\C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c1 ZINC000791787854 1077570143 /nfs/dbraw/zinc/57/01/43/1077570143.db2.gz ZALYNVIQODTBMQ-HJWRWDBZSA-N 1 0 421.545 2.871 20 0 HFADRO COc1cccc(C[NH+]2CCC(NC(=O)CCc3nc(CSC)no3)CC2)c1 ZINC000746817001 1077570450 /nfs/dbraw/zinc/57/04/50/1077570450.db2.gz RJFYLNLSNSXFPX-UHFFFAOYSA-N 1 0 404.536 2.655 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000791828378 1077576164 /nfs/dbraw/zinc/57/61/64/1077576164.db2.gz NDYNSXVLVSRHIM-SJORKVTESA-N 1 0 413.440 2.788 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000791828376 1077576255 /nfs/dbraw/zinc/57/62/55/1077576255.db2.gz NDYNSXVLVSRHIM-IAGOWNOFSA-N 1 0 413.440 2.788 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000789461334 1077583509 /nfs/dbraw/zinc/58/35/09/1077583509.db2.gz BOLATYBPPAUSIY-KRWDZBQOSA-N 1 0 400.910 2.663 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000789465517 1077584572 /nfs/dbraw/zinc/58/45/72/1077584572.db2.gz XHKCOJYINYNBQE-UHFFFAOYSA-N 1 0 404.898 2.629 20 0 HFADRO CC1(C)C[N@H+](Cc2ccccc2)C[C@@H](COC(=O)CN2CCc3ccccc3C2=O)O1 ZINC000789485144 1077588707 /nfs/dbraw/zinc/58/87/07/1077588707.db2.gz GOFMGXUBQZCJNI-NRFANRHFSA-N 1 0 422.525 2.908 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000791894548 1077589434 /nfs/dbraw/zinc/58/94/34/1077589434.db2.gz HGRIAJRRLRCKSP-QGZVFWFLSA-N 1 0 407.559 2.566 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c2)CC1 ZINC000791866046 1077591923 /nfs/dbraw/zinc/59/19/23/1077591923.db2.gz PKYKCVDZQFYISA-INIZCTEOSA-N 1 0 405.543 2.863 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)CC3(NC(=O)OC(C)(C)C)CCC3)cn2)CC1 ZINC000746827554 1077612471 /nfs/dbraw/zinc/61/24/71/1077612471.db2.gz OVULWYZMXQWSPL-UHFFFAOYSA-N 1 0 403.527 2.609 20 0 HFADRO C[N@H+](C[C@@H](O)COCc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789519189 1077613401 /nfs/dbraw/zinc/61/34/01/1077613401.db2.gz XOSQMLNUHLCPHT-CTNGQTDRSA-N 1 0 402.922 2.950 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000791980701 1077620575 /nfs/dbraw/zinc/62/05/75/1077620575.db2.gz MWPNVVLQNHDLFE-NGWCSTFBSA-N 1 0 424.545 2.630 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000791981201 1077621657 /nfs/dbraw/zinc/62/16/57/1077621657.db2.gz CFQPBKIOGBLPBB-UGKGYDQZSA-N 1 0 402.498 2.619 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000791964908 1077638238 /nfs/dbraw/zinc/63/82/38/1077638238.db2.gz QDNAXRORGXTFHQ-IBGZPJMESA-N 1 0 407.942 2.652 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789564825 1077643884 /nfs/dbraw/zinc/64/38/84/1077643884.db2.gz IXDCDBSQMPZWRM-QGZVFWFLSA-N 1 0 400.910 2.962 20 0 HFADRO Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000789589548 1077672749 /nfs/dbraw/zinc/67/27/49/1077672749.db2.gz NBRUSAAQUVFRSO-UHFFFAOYSA-N 1 0 405.502 2.839 20 0 HFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC000789561764 1077681019 /nfs/dbraw/zinc/68/10/19/1077681019.db2.gz UCQQLHPFPQZSFJ-CQSZACIVSA-N 1 0 421.284 2.966 20 0 HFADRO C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000792075672 1077681615 /nfs/dbraw/zinc/68/16/15/1077681615.db2.gz PGKFLXVRZUJTTE-GFCCVEGCSA-N 1 0 407.458 2.681 20 0 HFADRO C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)OCCC[NH+](C)C)C[C@H](C)O1 ZINC000792034979 1077687128 /nfs/dbraw/zinc/68/71/28/1077687128.db2.gz DKARVUYQQJCVCQ-HOTGVXAUSA-N 1 0 418.563 2.830 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000792041607 1077690186 /nfs/dbraw/zinc/69/01/86/1077690186.db2.gz YINKQVQTWMFWQE-QGZVFWFLSA-N 1 0 419.570 2.991 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc1 ZINC000792104785 1077698258 /nfs/dbraw/zinc/69/82/58/1077698258.db2.gz UUIPQXJEATWNFL-IBGZPJMESA-N 1 0 418.538 2.684 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000746836347 1077708242 /nfs/dbraw/zinc/70/82/42/1077708242.db2.gz GRKZPKOQYDTOBM-QGZVFWFLSA-N 1 0 404.555 2.876 20 0 HFADRO CCc1nc(CONC(=[NH2+])[C@H](NC(=O)OC(C)(C)C)c2ccc(OC)cc2)no1 ZINC000789631423 1077710179 /nfs/dbraw/zinc/71/01/79/1077710179.db2.gz GTZKHMAXOUJJEF-MRXNPFEDSA-N 1 0 405.455 2.905 20 0 HFADRO C[C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)NC(=O)OC(C)(C)C ZINC000792087093 1077710656 /nfs/dbraw/zinc/71/06/56/1077710656.db2.gz YFUIGNAXWLDHEA-MRXNPFEDSA-N 1 0 414.616 2.951 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 ZINC000792128508 1077715907 /nfs/dbraw/zinc/71/59/07/1077715907.db2.gz DOYKMOJYFJNYRF-HBMCJLEFSA-N 1 0 415.582 2.573 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789658251 1077722622 /nfs/dbraw/zinc/72/26/22/1077722622.db2.gz CUUVCFPAYXMFOI-GOTSBHOMSA-N 1 0 423.557 2.658 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000792150399 1077723624 /nfs/dbraw/zinc/72/36/24/1077723624.db2.gz HQYVAHMKWSPXAF-RTBURBONSA-N 1 0 411.587 2.981 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)C2)c1 ZINC000792158368 1077725877 /nfs/dbraw/zinc/72/58/77/1077725877.db2.gz CHEQMIFHTQLACG-QHCPKHFHSA-N 1 0 423.513 2.979 20 0 HFADRO O=C(NCc1ccc(N2CCOC2=O)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792162753 1077727653 /nfs/dbraw/zinc/72/76/53/1077727653.db2.gz FOLUSQYPSVNIGK-FQEVSTJZSA-N 1 0 408.502 2.965 20 0 HFADRO C[C@H](CNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000792165930 1077731838 /nfs/dbraw/zinc/73/18/38/1077731838.db2.gz MKOPKVXWONIKLA-LJQANCHMSA-N 1 0 418.582 2.566 20 0 HFADRO C[NH+](C)CCOC1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000792166821 1077732341 /nfs/dbraw/zinc/73/23/41/1077732341.db2.gz XTCNVRONONPBSS-UHFFFAOYSA-N 1 0 406.527 2.540 20 0 HFADRO CC(C)N(C)c1ccc(C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000792167867 1077732525 /nfs/dbraw/zinc/73/25/25/1077732525.db2.gz SVEVYIPUKRUMRE-UHFFFAOYSA-N 1 0 405.587 2.911 20 0 HFADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@H](C)[NH2+]C1(C(N)=O)CC1 ZINC000792173413 1077734268 /nfs/dbraw/zinc/73/42/68/1077734268.db2.gz HHDLURMRAPTBFR-CYBMUJFWSA-N 1 0 415.515 2.916 20 0 HFADRO COC(=O)N1CCC([C@@H](C)NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000792180902 1077736718 /nfs/dbraw/zinc/73/67/18/1077736718.db2.gz WATDXQMYVCEZSW-UIFIKXQLSA-N 1 0 414.550 2.627 20 0 HFADRO COc1cccc(/C=C(\C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)n2nnnc2C)c1 ZINC000746849271 1077761346 /nfs/dbraw/zinc/76/13/46/1077761346.db2.gz UWIIMYPAMRHNES-HVWGQFDISA-N 1 0 424.549 2.852 20 0 HFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@H](C)O1 ZINC000792216730 1077770063 /nfs/dbraw/zinc/77/00/63/1077770063.db2.gz XJPLDISVXIOUCX-CALCHBBNSA-N 1 0 420.554 2.977 20 0 HFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789770960 1077771435 /nfs/dbraw/zinc/77/14/35/1077771435.db2.gz SSFICEJKJQCOLG-SFHVURJKSA-N 1 0 408.289 2.662 20 0 HFADRO O=C(NC[C@@H](O)c1ccccc1F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792278501 1077772643 /nfs/dbraw/zinc/77/26/43/1077772643.db2.gz ZOTNFGFGCKXVAI-MQBCKMQZSA-N 1 0 403.420 2.964 20 0 HFADRO C[NH+](C)CCCC1CCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792289958 1077777019 /nfs/dbraw/zinc/77/70/19/1077777019.db2.gz IXYDSAPRCRKESW-UHFFFAOYSA-N 1 0 410.603 2.510 20 0 HFADRO CCC[C@@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC[N@@H+]1CCOC ZINC000792290816 1077777498 /nfs/dbraw/zinc/77/74/98/1077777498.db2.gz SLUPYEPPAHFNGK-LJQANCHMSA-N 1 0 420.554 2.930 20 0 HFADRO CCN1CN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1=O ZINC000792293498 1077778719 /nfs/dbraw/zinc/77/87/19/1077778719.db2.gz XYBPRKNNIMTCOP-UHFFFAOYSA-N 1 0 401.511 2.545 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000789750586 1077782267 /nfs/dbraw/zinc/78/22/67/1077782267.db2.gz LKSUVOQCOWKJTG-QGZVFWFLSA-N 1 0 412.446 2.827 20 0 HFADRO C[C@H](OC(=O)c1cnc2n1CCCC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792257338 1077783330 /nfs/dbraw/zinc/78/33/30/1077783330.db2.gz CSPBBIBMVYILTB-KRWDZBQOSA-N 1 0 410.518 2.546 20 0 HFADRO COc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792369779 1077818689 /nfs/dbraw/zinc/81/86/89/1077818689.db2.gz UMHQETIKVYCSCV-INIZCTEOSA-N 1 0 401.894 2.925 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC[C@H]1CCS(=O)(=O)C1)CC2 ZINC000792332796 1077822092 /nfs/dbraw/zinc/82/20/92/1077822092.db2.gz WUVJBYNAEPYBIM-KRWDZBQOSA-N 1 0 400.585 2.924 20 0 HFADRO CN(C(=O)c1ccc(NCc2cc(Br)nn2C)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000789889456 1077838045 /nfs/dbraw/zinc/83/80/45/1077838045.db2.gz GZGWPVZPZPOGFL-MRXNPFEDSA-N 1 0 420.355 2.961 20 0 HFADRO O=C(COC(=O)c1nc2cccnc2s1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000792381508 1077846342 /nfs/dbraw/zinc/84/63/42/1077846342.db2.gz IUKLTQZTDIESNB-UHFFFAOYSA-N 1 0 410.499 2.760 20 0 HFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccn(CC(F)F)n2)CC1 ZINC000789919932 1077847765 /nfs/dbraw/zinc/84/77/65/1077847765.db2.gz NTEPINLDARUIKQ-AWEZNQCLSA-N 1 0 409.456 2.920 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000792425287 1077850852 /nfs/dbraw/zinc/85/08/52/1077850852.db2.gz NZRKQNJWUYKNAP-AZUAARDMSA-N 1 0 424.520 2.969 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000746861968 1077851639 /nfs/dbraw/zinc/85/16/39/1077851639.db2.gz KKNQHXKIRNTQJN-GOSISDBHSA-N 1 0 410.603 2.556 20 0 HFADRO CCOC(=O)C1=C(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000792466630 1077860116 /nfs/dbraw/zinc/86/01/16/1077860116.db2.gz ZYCGSJDCPMRDDQ-CLCXKQKWSA-N 1 0 405.495 2.588 20 0 HFADRO COC(=O)c1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c2cccnc12 ZINC001170167258 1077876730 /nfs/dbraw/zinc/87/67/30/1077876730.db2.gz XOYZCBDHQURSQN-UHFFFAOYSA-N 1 0 405.458 2.890 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cc(C(N)=O)ccc1OC(F)(F)F ZINC001170169298 1077891648 /nfs/dbraw/zinc/89/16/48/1077891648.db2.gz HWHALCZIAONPLH-UHFFFAOYSA-N 1 0 423.395 2.552 20 0 HFADRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000789996230 1077895849 /nfs/dbraw/zinc/89/58/49/1077895849.db2.gz WRWKUSFZIUFPCX-KRWDZBQOSA-N 1 0 418.538 2.683 20 0 HFADRO CC(C)[NH+]1CCN(CCC(=O)NCc2ccc(Br)c(F)c2F)CC1 ZINC001170174618 1077899725 /nfs/dbraw/zinc/89/97/25/1077899725.db2.gz UXSRYPBFBUPTQM-UHFFFAOYSA-N 1 0 404.299 2.760 20 0 HFADRO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000772797986 1077900759 /nfs/dbraw/zinc/90/07/59/1077900759.db2.gz KVCXCCZSZNBHEB-KNQAVFIVSA-N 1 0 400.567 2.801 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001170182930 1077903087 /nfs/dbraw/zinc/90/30/87/1077903087.db2.gz BCNWACHRVWBWRI-HSZRJFAPSA-N 1 0 410.537 2.681 20 0 HFADRO CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001626112219 1077905256 /nfs/dbraw/zinc/90/52/56/1077905256.db2.gz YRUGMRJTDKWPAT-GOSISDBHSA-N 1 0 415.559 2.973 20 0 HFADRO CC(C)(COCc1ccccc1)NC(=O)NCCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000792565809 1077905581 /nfs/dbraw/zinc/90/55/81/1077905581.db2.gz QUBYGQIKJRPMBN-UHFFFAOYSA-N 1 0 410.474 2.786 20 0 HFADRO CC[C@H]1C[C@H]([NH+]2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3CC)CCO1 ZINC001170213770 1077908607 /nfs/dbraw/zinc/90/86/07/1077908607.db2.gz JPYFGMNOKPWXDI-UXHICEINSA-N 1 0 412.582 2.868 20 0 HFADRO CC[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CCO1 ZINC001170215982 1077909213 /nfs/dbraw/zinc/90/92/13/1077909213.db2.gz GDBYNRWLPMIBPZ-GFEQUFNTSA-N 1 0 402.568 2.662 20 0 HFADRO CN(C[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1)C(=O)OC(C)(C)C ZINC000790017655 1077914828 /nfs/dbraw/zinc/91/48/28/1077914828.db2.gz SSCCUWOBBOLILT-KRWDZBQOSA-N 1 0 411.568 2.626 20 0 HFADRO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792579811 1077915833 /nfs/dbraw/zinc/91/58/33/1077915833.db2.gz XKTZBKVICYCQJO-ZCNNSNEGSA-N 1 0 417.550 2.507 20 0 HFADRO O=C1N=NC(C2CC[NH+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC2)O1 ZINC001170245655 1077916255 /nfs/dbraw/zinc/91/62/55/1077916255.db2.gz XTSBABKGFRZLPX-HNNXBMFYSA-N 1 0 408.405 2.752 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227964 1077917776 /nfs/dbraw/zinc/91/77/76/1077917776.db2.gz RAUZTBHXOIVDEF-RBUKOAKNSA-N 1 0 403.548 2.889 20 0 HFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790027943 1077919191 /nfs/dbraw/zinc/91/91/91/1077919191.db2.gz WHLUGQTZXATBFO-YJBOKZPZSA-N 1 0 411.568 2.672 20 0 HFADRO COC(=O)c1ccc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])nc1-c1ccc(F)cc1 ZINC001170272319 1077925604 /nfs/dbraw/zinc/92/56/04/1077925604.db2.gz ICQGPAMZGDVAHD-LZJOCLMNSA-N 1 0 403.454 2.811 20 0 HFADRO CCOC(=O)c1cccc(Oc2ccc(NC[C@H]3O[C@@H](C(C)C)O[C@@H]3C[NH3+])nn2)c1 ZINC001170272321 1077925608 /nfs/dbraw/zinc/92/56/08/1077925608.db2.gz IELOAWVGOGZQKV-LZJOCLMNSA-N 1 0 416.478 2.582 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000790051341 1077931090 /nfs/dbraw/zinc/93/10/90/1077931090.db2.gz FKLAQVUWZMYPMN-KNQAVFIVSA-N 1 0 414.594 2.524 20 0 HFADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000746875402 1077932888 /nfs/dbraw/zinc/93/28/88/1077932888.db2.gz TWONCEAAHPIGGF-UHFFFAOYSA-N 1 0 423.554 2.793 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(-c3nc(-c4ccsc4)no3)ccn2)O1 ZINC001170278898 1077935097 /nfs/dbraw/zinc/93/50/97/1077935097.db2.gz SPVBBGLIHMNENE-CLCXKQKWSA-N 1 0 401.492 2.997 20 0 HFADRO O=C(CNC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1Cl ZINC001170279251 1077935471 /nfs/dbraw/zinc/93/54/71/1077935471.db2.gz WCCDMIUOTNYFRU-OAQYLSRUSA-N 1 0 404.869 2.805 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)C1 ZINC001170280834 1077936592 /nfs/dbraw/zinc/93/65/92/1077936592.db2.gz SOBZCAFAOXGTOL-XHSDSOJGSA-N 1 0 419.488 2.976 20 0 HFADRO O=C(N1C[C@@H]2CC[N@H+](CCCN3CCN(c4ccccc4)CC3)C[C@@H]2C1)C(F)(F)F ZINC001170280614 1077936623 /nfs/dbraw/zinc/93/66/23/1077936623.db2.gz MKVGLGFQHGXGJE-RBUKOAKNSA-N 1 0 424.511 2.541 20 0 HFADRO C[C@H](Cc1ccccc1Cl)N1Cc2nccn2C[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC001170281271 1077936840 /nfs/dbraw/zinc/93/68/40/1077936840.db2.gz CMPRSQPWNUQCFB-RTBURBONSA-N 1 0 401.986 2.847 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001170285693 1077937582 /nfs/dbraw/zinc/93/75/82/1077937582.db2.gz UMAAOSXJDMTRSW-JEDBISTDSA-N 1 0 402.926 2.666 20 0 HFADRO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)C1 ZINC001170290239 1077938670 /nfs/dbraw/zinc/93/86/70/1077938670.db2.gz IBGHQUBMNBGGIV-HKUYNNGSSA-N 1 0 401.551 2.972 20 0 HFADRO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)NCc1ccc(N2CCCC2=O)cc1 ZINC001170290521 1077938714 /nfs/dbraw/zinc/93/87/14/1077938714.db2.gz NHODEKKODFUMET-UHFFFAOYSA-N 1 0 421.541 2.811 20 0 HFADRO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)C1 ZINC001170290240 1077938732 /nfs/dbraw/zinc/93/87/32/1077938732.db2.gz IBGHQUBMNBGGIV-IEBWSBKVSA-N 1 0 401.551 2.972 20 0 HFADRO COc1ccc([C@H](CNC(=O)N[C@H](C)c2nnnn2C2CC2)[NH+]2CCCCC2)cc1 ZINC000790109554 1077939253 /nfs/dbraw/zinc/93/92/53/1077939253.db2.gz CRRCAZWPDFIYDC-BEFAXECRSA-N 1 0 413.526 2.604 20 0 HFADRO CC(C)(C)C(=O)N1CCC(CNc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)CC1 ZINC001170353349 1077948519 /nfs/dbraw/zinc/94/85/19/1077948519.db2.gz DAZSQBCLMWXJAI-UHFFFAOYSA-N 1 0 400.567 2.947 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)C2)c1 ZINC000792638154 1077950080 /nfs/dbraw/zinc/95/00/80/1077950080.db2.gz NJLKMFYDLIHUKJ-QFIPXVFZSA-N 1 0 411.502 2.917 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC001170366655 1077951400 /nfs/dbraw/zinc/95/14/00/1077951400.db2.gz ZGJYFKUJIPSLEH-QUCCMNQESA-N 1 0 418.538 2.804 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCC(C)(C)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000790141023 1077955348 /nfs/dbraw/zinc/95/53/48/1077955348.db2.gz ZOFYUYDCRFLTJT-HNNXBMFYSA-N 1 0 424.383 2.834 20 0 HFADRO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170410927 1077966287 /nfs/dbraw/zinc/96/62/87/1077966287.db2.gz IOEOJKXGMOYQAG-SJORKVTESA-N 1 0 419.566 2.803 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001170412230 1077966788 /nfs/dbraw/zinc/96/67/88/1077966788.db2.gz OMMVWINZHOCTGS-ROUUACIJSA-N 1 0 407.474 2.579 20 0 HFADRO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170412693 1077967180 /nfs/dbraw/zinc/96/71/80/1077967180.db2.gz SWICTAGDCCOLNQ-IRXDYDNUSA-N 1 0 419.566 2.885 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000790208903 1077970591 /nfs/dbraw/zinc/97/05/91/1077970591.db2.gz VONICWGBCXTGHI-KRWDZBQOSA-N 1 0 423.517 2.623 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000790183112 1077973277 /nfs/dbraw/zinc/97/32/77/1077973277.db2.gz FDXAOBBTFYPXMC-KBPBESRZSA-N 1 0 401.429 2.611 20 0 HFADRO C[C@@H](OC(=O)Cc1ccc(Cl)cn1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792721138 1077974522 /nfs/dbraw/zinc/97/45/22/1077974522.db2.gz KSLKGUKLGHVBAB-MRXNPFEDSA-N 1 0 415.921 2.990 20 0 HFADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000790244697 1077975396 /nfs/dbraw/zinc/97/53/96/1077975396.db2.gz YPWKJAVULKNPCV-GOSISDBHSA-N 1 0 423.517 2.835 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1nnnn1C1CC1)[NH+]1CCCCC1 ZINC000790230191 1077981216 /nfs/dbraw/zinc/98/12/16/1077981216.db2.gz JBCOKGMHEMSANQ-QAPCUYQASA-N 1 0 413.526 2.604 20 0 HFADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)[C@H]1CC(c3cccnc3)=NO1)c1ccccc1O2 ZINC000790292813 1077987415 /nfs/dbraw/zinc/98/74/15/1077987415.db2.gz FFCDEEOICVXYAB-TZIWHRDSSA-N 1 0 406.486 2.679 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC ZINC001170419612 1077989409 /nfs/dbraw/zinc/98/94/09/1077989409.db2.gz HAQXOFDWUBAGFG-JKSUJKDBSA-N 1 0 408.495 2.782 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1)OCc1ccccc1 ZINC000792787236 1077991415 /nfs/dbraw/zinc/99/14/15/1077991415.db2.gz ACRXAARWZFOIJI-IBGZPJMESA-N 1 0 414.550 2.961 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000790272348 1077992589 /nfs/dbraw/zinc/99/25/89/1077992589.db2.gz DCGWSGHWYCILIL-FQEVSTJZSA-N 1 0 413.543 2.728 20 0 HFADRO CC[NH+]1CCC(NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CC1 ZINC000792795801 1077994483 /nfs/dbraw/zinc/99/44/83/1077994483.db2.gz VQMOEZBSFXGNGR-LJQANCHMSA-N 1 0 402.539 2.819 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)C1CCCCC1 ZINC000790331085 1077998370 /nfs/dbraw/zinc/99/83/70/1077998370.db2.gz KRWBMGXOJOMHCU-RBUKOAKNSA-N 1 0 409.571 2.830 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCC(c3nc(-c4ccccc4)no3)CC1)C[NH+]1CCC2CC1 ZINC000790362712 1078004547 /nfs/dbraw/zinc/00/45/47/1078004547.db2.gz NQJDKULKMIQYHF-HSZRJFAPSA-N 1 0 423.517 2.790 20 0 HFADRO C[C@H](O)[C@](C)(CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000790363046 1078004590 /nfs/dbraw/zinc/00/45/90/1078004590.db2.gz SCKPWYTUOUMWOK-ZEYPLWLESA-N 1 0 403.567 2.559 20 0 HFADRO CCCN(CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362377 1078004700 /nfs/dbraw/zinc/00/47/00/1078004700.db2.gz KZFZLPHHXUGXDS-XMSQKQJNSA-N 1 0 422.570 2.582 20 0 HFADRO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H]2CC(C)(C)C)C1=O ZINC000747087328 1078005265 /nfs/dbraw/zinc/00/52/65/1078005265.db2.gz RNMOZUJUSQKKRE-VGSWGCGISA-N 1 0 400.523 2.776 20 0 HFADRO CCOC1(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)CCCC1 ZINC000792826854 1078006724 /nfs/dbraw/zinc/00/67/24/1078006724.db2.gz XXJGGMHTNQKDDG-UHFFFAOYSA-N 1 0 402.535 2.922 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=S)NC[C@H]2CCC[N@@H+]2CC)cn1 ZINC000790341776 1078007349 /nfs/dbraw/zinc/00/73/49/1078007349.db2.gz XENQIIDDZXJYED-RTWAWAEBSA-N 1 0 415.607 2.797 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=S)NC[C@H]2CCC[N@@H+]2CC)cn1 ZINC000790341775 1078007391 /nfs/dbraw/zinc/00/73/91/1078007391.db2.gz XENQIIDDZXJYED-NHCUHLMSSA-N 1 0 415.607 2.797 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=S)NC[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000790341778 1078007400 /nfs/dbraw/zinc/00/74/00/1078007400.db2.gz XENQIIDDZXJYED-SFTDATJTSA-N 1 0 415.607 2.797 20 0 HFADRO CC(C)Oc1ncccc1C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792831239 1078007458 /nfs/dbraw/zinc/00/74/58/1078007458.db2.gz AZVYNZIPCJWDBP-HKUYNNGSSA-N 1 0 411.502 2.805 20 0 HFADRO C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790386010 1078011434 /nfs/dbraw/zinc/01/14/34/1078011434.db2.gz PAGPGNWFAHNPRI-JJXUHFIVSA-N 1 0 405.926 2.976 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000792867213 1078011768 /nfs/dbraw/zinc/01/17/68/1078011768.db2.gz MLHXFWNFNBYHCP-RCCFBDPRSA-N 1 0 400.585 2.923 20 0 HFADRO Cc1nc2ccccc2n1C[C@H]1CCCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364617 1078014730 /nfs/dbraw/zinc/01/47/30/1078014730.db2.gz AQYMGBDZKNCSIS-AUSIDOKSSA-N 1 0 409.534 2.683 20 0 HFADRO O=C1O[C@]2(CN1CN1CCO[C@@H](c3cccc(OC(F)F)c3)C1)C[NH+]1CCC2CC1 ZINC000790365586 1078015143 /nfs/dbraw/zinc/01/51/43/1078015143.db2.gz CGSVOZLARJQGEI-NQIIRXRSSA-N 1 0 423.460 2.535 20 0 HFADRO Fc1ccc(I)c(F)c1C[NH2+]CCCNc1ncccn1 ZINC000792882127 1078016709 /nfs/dbraw/zinc/01/67/09/1078016709.db2.gz OVQLDYHPNKWXSL-UHFFFAOYSA-N 1 0 404.202 2.951 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCO[C@H](c3ccc(OC(F)F)cc3)C1)C[NH+]1CCC2CC1 ZINC000790371340 1078016814 /nfs/dbraw/zinc/01/68/14/1078016814.db2.gz LHKASFRDIPWYCR-GHTZIAJQSA-N 1 0 423.460 2.535 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)[C@@H](C)C1 ZINC000790377157 1078018293 /nfs/dbraw/zinc/01/82/93/1078018293.db2.gz WPZICWPRDRWGLF-PXNSSMCTSA-N 1 0 422.545 2.911 20 0 HFADRO CN(C)S(=O)(=O)c1cccc2c1CCN(C[C@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000792897927 1078019139 /nfs/dbraw/zinc/01/91/39/1078019139.db2.gz WUDFKUBUMIVODS-SFHVURJKSA-N 1 0 412.914 2.821 20 0 HFADRO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3c4nc(N5CCC[C@@H](C)C5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001170135114 1078021771 /nfs/dbraw/zinc/02/17/71/1078021771.db2.gz GLGGZWOAVLKXDT-SIZVQLJJSA-N 1 0 404.580 2.598 20 0 HFADRO COc1ccc(C(=O)C2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000792945113 1078023394 /nfs/dbraw/zinc/02/33/94/1078023394.db2.gz VCIQCOJCPDZUQS-GOSISDBHSA-N 1 0 406.523 2.866 20 0 HFADRO Cc1n[nH]cc1C1CC[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000792925335 1078027148 /nfs/dbraw/zinc/02/71/48/1078027148.db2.gz JHJKDMGQHWLERH-UHFFFAOYSA-N 1 0 415.563 2.966 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)c1cccc(OC)c1 ZINC000792949031 1078032712 /nfs/dbraw/zinc/03/27/12/1078032712.db2.gz ONJJBCREYCRMCS-INIZCTEOSA-N 1 0 404.898 2.881 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@H](c4nccn4C)C3)c2ccc1Br ZINC000790443631 1078033560 /nfs/dbraw/zinc/03/35/60/1078033560.db2.gz YOCHMBZJEKOFPJ-LBPRGKRZSA-N 1 0 418.295 2.766 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000792988552 1078041656 /nfs/dbraw/zinc/04/16/56/1078041656.db2.gz FCIDNFLJCSEHFM-HOJAQTOUSA-N 1 0 414.550 2.960 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000790483486 1078041824 /nfs/dbraw/zinc/04/18/24/1078041824.db2.gz GRFOSADHZMHTMP-SVMVAKDDSA-N 1 0 402.539 2.629 20 0 HFADRO COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000792990174 1078042284 /nfs/dbraw/zinc/04/22/84/1078042284.db2.gz QEAPOAOHVHUYGV-FYYLOGMGSA-N 1 0 424.545 2.708 20 0 HFADRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000790486455 1078042527 /nfs/dbraw/zinc/04/25/27/1078042527.db2.gz OVZJZQYSGFIFNS-LSDHHAIUSA-N 1 0 408.490 2.598 20 0 HFADRO C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1nnnn1C1CC1 ZINC000790490360 1078043099 /nfs/dbraw/zinc/04/30/99/1078043099.db2.gz NNGJKVJNSIXBBP-XHDPSFHLSA-N 1 0 411.432 2.690 20 0 HFADRO O=C(NCc1ccc(Cl)nc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000747311575 1079545111 /nfs/dbraw/zinc/54/51/11/1079545111.db2.gz LDPPGISSESOEOD-UHFFFAOYSA-N 1 0 404.923 2.539 20 0 HFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3[C@H](C)C[N@H+](C)[C@H](C)[C@@H]3C)c2)C1 ZINC001130584552 1079557899 /nfs/dbraw/zinc/55/78/99/1079557899.db2.gz CDBLAHKOUJTIJL-ZRSRNVLSSA-N 1 0 421.607 2.906 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000806307691 1079559715 /nfs/dbraw/zinc/55/97/15/1079559715.db2.gz HFMPHZCRIRQGBI-PMACEKPBSA-N 1 0 404.555 2.812 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806309397 1079564066 /nfs/dbraw/zinc/56/40/66/1079564066.db2.gz FBOZWUWSVDPPPQ-UXHICEINSA-N 1 0 402.539 2.961 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)CCC2 ZINC000806298152 1079585909 /nfs/dbraw/zinc/58/59/09/1079585909.db2.gz ZCPWEVFOCRKJGT-IBGZPJMESA-N 1 0 403.571 2.536 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)CC1 ZINC000806321215 1079591887 /nfs/dbraw/zinc/59/18/87/1079591887.db2.gz RLFIMVUXKQDRLN-UHFFFAOYSA-N 1 0 417.510 2.636 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000747325888 1079594753 /nfs/dbraw/zinc/59/47/53/1079594753.db2.gz QXULJQJGFYFOTG-UXHICEINSA-N 1 0 403.486 2.527 20 0 HFADRO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c12 ZINC000747325555 1079598165 /nfs/dbraw/zinc/59/81/65/1079598165.db2.gz NBYZBFJHEGISPU-GJZGRUSLSA-N 1 0 411.531 2.598 20 0 HFADRO COC[C@]1(CNC(=O)NCCC[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC000806333162 1079603818 /nfs/dbraw/zinc/60/38/18/1079603818.db2.gz UBJXPSAMOVLEMD-OAQYLSRUSA-N 1 0 412.575 2.578 20 0 HFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)C(C)(C)C ZINC000806390391 1079642088 /nfs/dbraw/zinc/64/20/88/1079642088.db2.gz IZXUJTQWIWRTJS-UXHICEINSA-N 1 0 403.567 2.753 20 0 HFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000806423743 1079668354 /nfs/dbraw/zinc/66/83/54/1079668354.db2.gz CZAXKPORRNPLHE-NHCUHLMSSA-N 1 0 411.933 2.704 20 0 HFADRO C[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000806434951 1079681331 /nfs/dbraw/zinc/68/13/31/1079681331.db2.gz ZDEMMFXZRLWCPN-FXAWDEMLSA-N 1 0 402.539 2.696 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)Cc1ccccc1 ZINC000806393964 1079683354 /nfs/dbraw/zinc/68/33/54/1079683354.db2.gz YINCSABGEVVURK-WOJBJXKFSA-N 1 0 404.555 2.860 20 0 HFADRO C[C@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1cccc(NS(C)(=O)=O)c1 ZINC000806472818 1079704067 /nfs/dbraw/zinc/70/40/67/1079704067.db2.gz MSSZMBCRMDNHIK-INIZCTEOSA-N 1 0 422.551 2.876 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cnc(C4OCCO4)s3)cc2)C[C@H](C)O1 ZINC000806442055 1079711017 /nfs/dbraw/zinc/71/10/17/1079711017.db2.gz JFRPIZZTMWKHLM-GASCZTMLSA-N 1 0 417.531 2.728 20 0 HFADRO Cc1ccc2[nH]c(CNC(=O)C(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000806494814 1079746333 /nfs/dbraw/zinc/74/63/33/1079746333.db2.gz WXDOFARZKWUPKC-XMMPIXPASA-N 1 0 419.529 2.516 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000806497384 1079747334 /nfs/dbraw/zinc/74/73/34/1079747334.db2.gz HIOZWVJZNQFCJZ-PMACEKPBSA-N 1 0 404.555 2.812 20 0 HFADRO CCOc1cc2c(cc1/C=C\C(=O)N1CC[NH+](C3CCOCC3)CC1)O[C@@H](C)C2 ZINC000747331874 1079747424 /nfs/dbraw/zinc/74/74/24/1079747424.db2.gz BVFAGLFIQSYTTR-CHYADLBTSA-N 1 0 400.519 2.745 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000806497159 1079748234 /nfs/dbraw/zinc/74/82/34/1079748234.db2.gz BLITZBWGLAJGCC-WOJBJXKFSA-N 1 0 404.555 2.858 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000806498058 1079748772 /nfs/dbraw/zinc/74/87/72/1079748772.db2.gz WJBQPICGMTUROE-UXHICEINSA-N 1 0 404.555 2.860 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000806478271 1079763722 /nfs/dbraw/zinc/76/37/22/1079763722.db2.gz RNVYCMAPGIEPIZ-QGZVFWFLSA-N 1 0 406.531 2.671 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000806483294 1079768317 /nfs/dbraw/zinc/76/83/17/1079768317.db2.gz CIFHKNMBSTXCHT-UHFFFAOYSA-N 1 0 404.555 2.503 20 0 HFADRO COC1CCC(CCNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000806541415 1079777888 /nfs/dbraw/zinc/77/78/88/1079777888.db2.gz SERKIXNNGRLWJO-HQOBLLPJSA-N 1 0 415.578 2.726 20 0 HFADRO CC(=O)NCC[C@@H]1CCCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000806597219 1079839736 /nfs/dbraw/zinc/83/97/36/1079839736.db2.gz FVJIVYOKZPFVHR-FQEVSTJZSA-N 1 0 402.608 2.764 20 0 HFADRO COc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001137530957 1079853849 /nfs/dbraw/zinc/85/38/49/1079853849.db2.gz HGFQOGAXLRHEFS-QFIPXVFZSA-N 1 0 400.523 2.810 20 0 HFADRO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000806657932 1079877004 /nfs/dbraw/zinc/87/70/04/1079877004.db2.gz IXJPNRRFOCTXAI-DZKIICNBSA-N 1 0 406.493 2.738 20 0 HFADRO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001130707217 1079877669 /nfs/dbraw/zinc/87/76/69/1079877669.db2.gz OEWRARQNMMBHJA-UHFFFAOYSA-N 1 0 406.939 2.618 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000747341322 1079878631 /nfs/dbraw/zinc/87/86/31/1079878631.db2.gz FLLXIEAKPZAPQL-PWRODBHTSA-N 1 0 421.541 2.671 20 0 HFADRO COCCCOc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000806623527 1079880655 /nfs/dbraw/zinc/88/06/55/1079880655.db2.gz QEICOSAYCKOCON-IBGZPJMESA-N 1 0 421.538 2.875 20 0 HFADRO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806684655 1079911483 /nfs/dbraw/zinc/91/14/83/1079911483.db2.gz ZRFAQIVPGNYFPY-INIZCTEOSA-N 1 0 405.539 2.746 20 0 HFADRO Cc1cc(I)cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000806684175 1079912354 /nfs/dbraw/zinc/91/23/54/1079912354.db2.gz RPVCOTYZZDVPQB-GJZGRUSLSA-N 1 0 415.275 2.584 20 0 HFADRO C[NH+](C)CCN1CCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1=O ZINC001130707557 1079927579 /nfs/dbraw/zinc/92/75/79/1079927579.db2.gz YJMFKLRSJFIXRF-OAQYLSRUSA-N 1 0 415.534 2.892 20 0 HFADRO CN(C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806727169 1079950741 /nfs/dbraw/zinc/95/07/41/1079950741.db2.gz BKABKVFIEKUNRZ-QFIPXVFZSA-N 1 0 423.557 2.653 20 0 HFADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)[C@H]2CCCC23OCCO3)c1 ZINC000806730656 1079954619 /nfs/dbraw/zinc/95/46/19/1079954619.db2.gz XQACQCJDWPLTPC-LJQANCHMSA-N 1 0 401.507 2.983 20 0 HFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806753662 1079968783 /nfs/dbraw/zinc/96/87/83/1079968783.db2.gz XHNLFPSNUVFETG-NFBKMPQASA-N 1 0 410.562 2.568 20 0 HFADRO COc1cccc(OCCC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130732706 1079969896 /nfs/dbraw/zinc/96/98/96/1079969896.db2.gz BBLPISLTHZSYNQ-DHIUTWEWSA-N 1 0 410.514 2.966 20 0 HFADRO CCOC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)nc1C ZINC001130733424 1079972656 /nfs/dbraw/zinc/97/26/56/1079972656.db2.gz QFBLAZFAWSYDQT-VXKWHMMOSA-N 1 0 423.513 2.682 20 0 HFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 ZINC000806764752 1079982896 /nfs/dbraw/zinc/98/28/96/1079982896.db2.gz MBRYYWXUXBDNPW-GOSISDBHSA-N 1 0 411.468 2.910 20 0 HFADRO Cc1ccc2nc(C(=O)Nc3ccc(OCCCN4CC[NH+](C)CC4)cc3)cn2c1 ZINC001130741720 1080004656 /nfs/dbraw/zinc/00/46/56/1080004656.db2.gz CEZKGJZKSCEFHD-UHFFFAOYSA-N 1 0 407.518 2.911 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3ncnc4ccsc43)cc2)CC1 ZINC001130742090 1080005204 /nfs/dbraw/zinc/00/52/04/1080005204.db2.gz IDCDBJWHRSNWSQ-UHFFFAOYSA-N 1 0 411.531 2.960 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000806815150 1080027752 /nfs/dbraw/zinc/02/77/52/1080027752.db2.gz BACKSCGRJIEDBN-HXUWFJFHSA-N 1 0 402.539 2.991 20 0 HFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844815 1080030172 /nfs/dbraw/zinc/03/01/72/1080030172.db2.gz VJCUWKCJYPNZJE-VFNWGFHPSA-N 1 0 404.942 2.508 20 0 HFADRO C[C@H]([NH2+]C1(CNC(=O)c2cnc(C3OCCO3)s2)CCOCC1)c1ccccc1 ZINC000806855191 1080060168 /nfs/dbraw/zinc/06/01/68/1080060168.db2.gz BUEAKOLTMUBUGA-HNNXBMFYSA-N 1 0 417.531 2.818 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)ccc2c1 ZINC000806888720 1080085140 /nfs/dbraw/zinc/08/51/40/1080085140.db2.gz RFVHQQJGOBXIRU-UHFFFAOYSA-N 1 0 411.502 2.548 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000806920260 1080089356 /nfs/dbraw/zinc/08/93/56/1080089356.db2.gz UGUYRVMXPJQSNN-QHCPKHFHSA-N 1 0 411.546 2.739 20 0 HFADRO CN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806924322 1080092903 /nfs/dbraw/zinc/09/29/03/1080092903.db2.gz GNZGKIVBNYPVRE-NRFANRHFSA-N 1 0 409.530 2.976 20 0 HFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)c1ccc(Cl)cc1 ZINC000806925478 1080093651 /nfs/dbraw/zinc/09/36/51/1080093651.db2.gz FSBMWTJRCKJWQW-SFHVURJKSA-N 1 0 403.910 2.925 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccc3cc(OC)ccc3c2)C1 ZINC000806925445 1080093747 /nfs/dbraw/zinc/09/37/47/1080093747.db2.gz DLDFLUMVSVNSPO-NRFANRHFSA-N 1 0 413.518 2.746 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000806931445 1080097759 /nfs/dbraw/zinc/09/77/59/1080097759.db2.gz MDKKEELZDRMUNX-JMLCCBQJSA-N 1 0 405.461 2.921 20 0 HFADRO CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000806902975 1080110226 /nfs/dbraw/zinc/11/02/26/1080110226.db2.gz KTQGNGBBTZREHJ-SFHVURJKSA-N 1 0 417.472 2.927 20 0 HFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806964928 1080131760 /nfs/dbraw/zinc/13/17/60/1080131760.db2.gz HNGGZFMHVSEXHV-IEBWSBKVSA-N 1 0 409.530 2.879 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000806934110 1080141982 /nfs/dbraw/zinc/14/19/82/1080141982.db2.gz KGDQAZKFMCUEAH-LJQANCHMSA-N 1 0 424.586 2.579 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806935359 1080143104 /nfs/dbraw/zinc/14/31/04/1080143104.db2.gz XIJGVYRBHDFNQJ-UTKZUKDTSA-N 1 0 409.530 2.879 20 0 HFADRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000806940796 1080147840 /nfs/dbraw/zinc/14/78/40/1080147840.db2.gz AHEUCVIMXQEKRC-SFHVURJKSA-N 1 0 419.566 2.852 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000806949917 1080158090 /nfs/dbraw/zinc/15/80/90/1080158090.db2.gz WWMKMCBYADSQTM-UHFFFAOYSA-N 1 0 401.551 2.967 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000806953774 1080163874 /nfs/dbraw/zinc/16/38/74/1080163874.db2.gz JNHGAPCYADPTEQ-ALKREAHSSA-N 1 0 413.440 2.786 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1nc2c(s1)CSCC2 ZINC000807005577 1080182963 /nfs/dbraw/zinc/18/29/63/1080182963.db2.gz CHUDNHAZDGYYMB-UHFFFAOYSA-N 1 0 404.561 2.591 20 0 HFADRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)cc2)C1 ZINC000806978750 1080188374 /nfs/dbraw/zinc/18/83/74/1080188374.db2.gz GKHMPUYEVFBJCR-ZDUSSCGKSA-N 1 0 402.882 2.807 20 0 HFADRO C[NH+](C)C1CCN(CCNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000807031034 1080224697 /nfs/dbraw/zinc/22/46/97/1080224697.db2.gz UOAHRSOWUWKSNT-XMMPIXPASA-N 1 0 424.589 2.958 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)c1ccc(Cl)cc1 ZINC000807079492 1080260103 /nfs/dbraw/zinc/26/01/03/1080260103.db2.gz XAFQKGXPSLUYPM-SFHVURJKSA-N 1 0 403.910 2.925 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000807092454 1080272290 /nfs/dbraw/zinc/27/22/90/1080272290.db2.gz VPZJSQTZUIDAML-VXKWHMMOSA-N 1 0 413.562 2.747 20 0 HFADRO CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000807129348 1080295578 /nfs/dbraw/zinc/29/55/78/1080295578.db2.gz CVERVXUBWUTWAS-IEBWSBKVSA-N 1 0 406.527 2.607 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000807148318 1080304846 /nfs/dbraw/zinc/30/48/46/1080304846.db2.gz VIOYZLUQMVEYEF-WOJBJXKFSA-N 1 0 402.539 2.817 20 0 HFADRO CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)CC1 ZINC000807149720 1080306291 /nfs/dbraw/zinc/30/62/91/1080306291.db2.gz GTSBEZNKVIUEDW-JXFKEZNVSA-N 1 0 420.554 2.854 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000807164110 1080320684 /nfs/dbraw/zinc/32/06/84/1080320684.db2.gz WEDVYKVAQJKJEB-HXUWFJFHSA-N 1 0 404.555 2.989 20 0 HFADRO CC1(C)CN(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)CC[N@@H+]1CCO ZINC000807174472 1080328969 /nfs/dbraw/zinc/32/89/69/1080328969.db2.gz LNOAQYFKMTVSLX-AWEZNQCLSA-N 1 0 402.322 2.915 20 0 HFADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C12CCCC2 ZINC000807198124 1080345997 /nfs/dbraw/zinc/34/59/97/1080345997.db2.gz DGNLCHSVYHJYLZ-GHBBCFCZSA-N 1 0 405.583 2.754 20 0 HFADRO CCO[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C12CCCC2 ZINC000807198126 1080346161 /nfs/dbraw/zinc/34/61/61/1080346161.db2.gz DGNLCHSVYHJYLZ-NTFDOXNWSA-N 1 0 405.583 2.754 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1F ZINC000807212955 1080361338 /nfs/dbraw/zinc/36/13/38/1080361338.db2.gz BMFDGHPPGNBSRB-WFVVYAPDSA-N 1 0 404.486 2.594 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)C2)cc1F ZINC000807214043 1080363123 /nfs/dbraw/zinc/36/31/23/1080363123.db2.gz KPRYFVZKCVRDEN-SIXWZSSISA-N 1 0 404.486 2.596 20 0 HFADRO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000807181099 1080373556 /nfs/dbraw/zinc/37/35/56/1080373556.db2.gz NVSPEQATKOPFOI-RHSMWYFYSA-N 1 0 403.445 2.539 20 0 HFADRO C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)CCCO1 ZINC000807180694 1080373700 /nfs/dbraw/zinc/37/37/00/1080373700.db2.gz LGORAJAEAURDSD-QUCCMNQESA-N 1 0 424.586 2.720 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807187511 1080381211 /nfs/dbraw/zinc/38/12/11/1080381211.db2.gz DRDKNFBIQKXVAS-PMACEKPBSA-N 1 0 402.539 2.771 20 0 HFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cnc(C3OCCO3)s2)C1 ZINC000807225654 1080385416 /nfs/dbraw/zinc/38/54/16/1080385416.db2.gz HHTXIWJNKXQUTM-UHFFFAOYSA-N 1 0 403.504 2.570 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC000807254057 1080412359 /nfs/dbraw/zinc/41/23/59/1080412359.db2.gz QFJKMKQKEKUBEI-GOSISDBHSA-N 1 0 403.523 2.645 20 0 HFADRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1nc(Br)sc1C1CC1 ZINC000807265317 1080417587 /nfs/dbraw/zinc/41/75/87/1080417587.db2.gz YJQRXMITNDYLSG-NSHDSACASA-N 1 0 401.374 2.539 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1)c1ccco1 ZINC000807312065 1080505353 /nfs/dbraw/zinc/50/53/53/1080505353.db2.gz JWTLQGADCKUIKJ-CZUORRHYSA-N 1 0 402.451 2.642 20 0 HFADRO CCN1CCN(C(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@H](C)C1 ZINC000807318856 1080512533 /nfs/dbraw/zinc/51/25/33/1080512533.db2.gz LJKVQXFXZSFVLH-CYBMUJFWSA-N 1 0 408.474 2.664 20 0 HFADRO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000807354118 1080514390 /nfs/dbraw/zinc/51/43/90/1080514390.db2.gz FVCQZYBEPMZWKW-DOTOQJQBSA-N 1 0 401.507 2.620 20 0 HFADRO Cc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1N1CCSCC1 ZINC000807358232 1080519606 /nfs/dbraw/zinc/51/96/06/1080519606.db2.gz SJCWHHVUBMQLBB-DFNIBXOVSA-N 1 0 416.591 2.570 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(CN(C)C(=O)OC)cc1 ZINC000807358632 1080520590 /nfs/dbraw/zinc/52/05/90/1080520590.db2.gz AJBYLTZYLBEADC-UHFFFAOYSA-N 1 0 418.538 2.548 20 0 HFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N(CC(C)(C)C)OC)CC1 ZINC000807359455 1080521837 /nfs/dbraw/zinc/52/18/37/1080521837.db2.gz BWXZHBOGJGUYBJ-UHFFFAOYSA-N 1 0 410.946 2.857 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000807394438 1080561514 /nfs/dbraw/zinc/56/15/14/1080561514.db2.gz NISJGHORBAXSOJ-SFHVURJKSA-N 1 0 418.538 2.640 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCNC(=O)CN(Cc2ccccc2)c2ccccc2)C1 ZINC001170523201 1080572629 /nfs/dbraw/zinc/57/26/29/1080572629.db2.gz AXMDVQHCSJAZKL-NHCUHLMSSA-N 1 0 409.530 2.741 20 0 HFADRO CCOC(=O)C1=C(Nc2cnc3c(c2)OCC(=O)N3)CC[N@H+](Cc2ccccc2)C1 ZINC001170522643 1080581984 /nfs/dbraw/zinc/58/19/84/1080581984.db2.gz ONLWLICEGITECS-UHFFFAOYSA-N 1 0 408.458 2.548 20 0 HFADRO C[C@]1(CNC(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000807431467 1080591851 /nfs/dbraw/zinc/59/18/51/1080591851.db2.gz DBMOODHJEAMLHK-RCZVLFRGSA-N 1 0 423.557 2.645 20 0 HFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001170523749 1080594194 /nfs/dbraw/zinc/59/41/94/1080594194.db2.gz IJIFSDQWSGZHKN-PBHICJAKSA-N 1 0 409.324 2.985 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000805283672 1080608932 /nfs/dbraw/zinc/60/89/32/1080608932.db2.gz KJPYXIKMSXMHFC-OAQYLSRUSA-N 1 0 416.566 2.517 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000807413805 1080612391 /nfs/dbraw/zinc/61/23/91/1080612391.db2.gz WHIRFUIGERDKIL-UHFFFAOYSA-N 1 0 419.350 2.894 20 0 HFADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000807454910 1080634575 /nfs/dbraw/zinc/63/45/75/1080634575.db2.gz YXDSUZZFHFNKCI-LPHOPBHVSA-N 1 0 416.522 2.915 20 0 HFADRO Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c3ccc(F)cc3)cc2)o1 ZINC000807485965 1080667486 /nfs/dbraw/zinc/66/74/86/1080667486.db2.gz ITGWSLYLVVDRBB-SFHVURJKSA-N 1 0 411.437 2.542 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1F ZINC000807486549 1080670600 /nfs/dbraw/zinc/67/06/00/1080670600.db2.gz SGFSVOFSHGUQHT-KRWDZBQOSA-N 1 0 420.416 2.501 20 0 HFADRO CCN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807502146 1080700042 /nfs/dbraw/zinc/70/00/42/1080700042.db2.gz ZEGATIFBBOVFON-RDGATRHJSA-N 1 0 423.557 2.523 20 0 HFADRO Cc1[nH]c2ccc(F)cc2c1CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC001170526452 1080706146 /nfs/dbraw/zinc/70/61/46/1080706146.db2.gz PUWCFGHIYDGEMP-UHFFFAOYSA-N 1 0 409.509 2.881 20 0 HFADRO CCCCCn1nc(C)cc1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000807476203 1080727424 /nfs/dbraw/zinc/72/74/24/1080727424.db2.gz AYYMCAIYPRWELS-UHFFFAOYSA-N 1 0 412.538 2.711 20 0 HFADRO C[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC(c2ccccc2Cl)=NO1 ZINC000807481508 1080738237 /nfs/dbraw/zinc/73/82/37/1080738237.db2.gz GTHONUFGXLXNGH-HRAATJIYSA-N 1 0 405.926 2.794 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543258 1080758053 /nfs/dbraw/zinc/75/80/53/1080758053.db2.gz DMERBEGWZHKEIH-BEFAXECRSA-N 1 0 410.474 2.583 20 0 HFADRO CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543974 1080759771 /nfs/dbraw/zinc/75/97/71/1080759771.db2.gz PEMTXFOYQOQRSZ-UTKZUKDTSA-N 1 0 423.513 2.971 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@H](C3CC3)C(F)(F)F)cc2)CC1 ZINC000807546375 1080762184 /nfs/dbraw/zinc/76/21/84/1080762184.db2.gz UVUAWAYUUYEWPX-QGZVFWFLSA-N 1 0 412.456 2.613 20 0 HFADRO COC[C@@]1(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807549579 1080765445 /nfs/dbraw/zinc/76/54/45/1080765445.db2.gz DORDLHSYOOXYPG-AVRDEDQJSA-N 1 0 424.586 2.530 20 0 HFADRO COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)N[C@@H](C)C[NH+](C)C ZINC000807577124 1080788563 /nfs/dbraw/zinc/78/85/63/1080788563.db2.gz DMFITOLJYWXOKK-FUHWJXTLSA-N 1 0 420.554 2.949 20 0 HFADRO CN(OCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807582525 1080793577 /nfs/dbraw/zinc/79/35/77/1080793577.db2.gz ORIFYPLNVACHLS-HKUYNNGSSA-N 1 0 401.532 2.837 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)[C@@H]1c1cccs1 ZINC000807582907 1080795076 /nfs/dbraw/zinc/79/50/76/1080795076.db2.gz WJQAYDHRKQPCDQ-FUHIMQAGSA-N 1 0 412.559 2.658 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1ccc(C[S@@](C)=O)cc1 ZINC000807557970 1080809199 /nfs/dbraw/zinc/80/91/99/1080809199.db2.gz OWCZAFGLVJRHDY-MUUNZHRXSA-N 1 0 401.576 2.881 20 0 HFADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)ccc1OCC(=O)N1CCCC1 ZINC000500228736 1126095269 /nfs/dbraw/zinc/09/52/69/1126095269.db2.gz ASSZSRWWESFHHS-HXUWFJFHSA-N 1 0 416.493 2.529 20 0 HFADRO CCOc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000553454591 1126096990 /nfs/dbraw/zinc/09/69/90/1126096990.db2.gz LPUALLQFSVYFEX-QGZVFWFLSA-N 1 0 412.530 2.560 20 0 HFADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001175708721 1126149380 /nfs/dbraw/zinc/14/93/80/1126149380.db2.gz UWBFDTHRICKJMN-QHCPKHFHSA-N 1 0 419.485 2.613 20 0 HFADRO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC001200424556 1126156342 /nfs/dbraw/zinc/15/63/42/1126156342.db2.gz RVWASUUYRAVDFF-NRFANRHFSA-N 1 0 409.530 2.572 20 0 HFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001206857649 1126159919 /nfs/dbraw/zinc/15/99/19/1126159919.db2.gz XCQBANXWGLVTMI-INIZCTEOSA-N 1 0 418.378 2.997 20 0 HFADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001308040332 1126162964 /nfs/dbraw/zinc/16/29/64/1126162964.db2.gz UMWNNBLMIOPJPF-JKSUJKDBSA-N 1 0 422.856 2.612 20 0 HFADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC001473839897 1126200064 /nfs/dbraw/zinc/20/00/64/1126200064.db2.gz MDKZAHRWTOMYJM-LJQANCHMSA-N 1 0 420.282 2.679 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(=O)oc3c(C)c(O)ccc23)cc1OC ZINC001560184282 1126209772 /nfs/dbraw/zinc/20/97/72/1126209772.db2.gz JMWNJVKQSNANLP-HSZRJFAPSA-N 1 0 413.470 2.908 20 0 HFADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389829 718822719 /nfs/dbraw/zinc/82/27/19/718822719.db2.gz JTYATNNMCMCZMU-WCQYABFASA-N 1 0 405.232 2.928 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001164389854 718825401 /nfs/dbraw/zinc/82/54/01/718825401.db2.gz JYWSOFKHKPZILV-MSOLQXFVSA-N 1 0 409.559 2.987 20 0 HFADRO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)cnc2Cl)c1 ZINC001164401275 718855144 /nfs/dbraw/zinc/85/51/44/718855144.db2.gz AFPHRDKOHFLLRI-DNVCBOLYSA-N 1 0 409.864 2.974 20 0 HFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001164410607 718872961 /nfs/dbraw/zinc/87/29/61/718872961.db2.gz DUCVBPBQJXXSSG-CABCVRRESA-N 1 0 408.836 2.973 20 0 HFADRO [NH3+][C@@H]1[C@H]2CN([C@]3(F)CN(Cc4ccccc4)Cc4c(Cl)nc(Cl)nc43)C[C@H]21 ZINC001164441197 718985002 /nfs/dbraw/zinc/98/50/02/718985002.db2.gz XHZXTFMWPPSESH-QUHUKJRKSA-N 1 0 408.308 2.810 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164617383 719007617 /nfs/dbraw/zinc/00/76/17/719007617.db2.gz NTEKZLNCTRVLTH-FZKQIMNGSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnnc(Cl)c1)C2 ZINC001164617586 719008895 /nfs/dbraw/zinc/00/88/95/719008895.db2.gz OSKFOPBBXYWACC-KSSFIOAISA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)n1 ZINC001164619887 719020615 /nfs/dbraw/zinc/02/06/15/719020615.db2.gz XJNNGCXATOIHBA-UHFFFAOYSA-N 1 0 403.523 2.811 20 0 HFADRO CCOC(=O)c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1C ZINC001164616813 719020862 /nfs/dbraw/zinc/02/08/62/719020862.db2.gz LPUDHZUDUFFPDI-UHFFFAOYSA-N 1 0 403.523 2.811 20 0 HFADRO CCOC(=O)/C=C/c1cccnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614458 719022128 /nfs/dbraw/zinc/02/21/28/719022128.db2.gz SYPPEXNODQXKPF-BQYQJAHWSA-N 1 0 415.534 2.902 20 0 HFADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC(C2C[NH2+]C2)CC1 ZINC001164614485 719036452 /nfs/dbraw/zinc/03/64/52/719036452.db2.gz CFISCJUBBAWSIH-UHFFFAOYSA-N 1 0 400.857 2.678 20 0 HFADRO CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626951 719052187 /nfs/dbraw/zinc/05/21/87/719052187.db2.gz SJYVWJFCLPDACA-JKSUJKDBSA-N 1 0 406.939 2.634 20 0 HFADRO CN1c2cnc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2N2CCC[C@H]2C1=O ZINC001164629499 719080026 /nfs/dbraw/zinc/08/00/26/719080026.db2.gz XUAFIUHDNIHGSG-ZJOUEHCJSA-N 1 0 418.545 2.523 20 0 HFADRO O=S(=O)(NC1CC1)c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164630932 719099730 /nfs/dbraw/zinc/09/97/30/719099730.db2.gz XRMXOGHILRJINI-WIYYLYMNSA-N 1 0 412.559 2.623 20 0 HFADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)C[C@@H]2CF)CC1 ZINC001164630464 719117732 /nfs/dbraw/zinc/11/77/32/719117732.db2.gz WRMASSLLRWSFOH-WCQYABFASA-N 1 0 418.847 2.755 20 0 HFADRO c1cncc(OCc2nnn3c2CN(c2ncccc2C[NH+]2CCCC2)CCC3)c1 ZINC001164652770 719328011 /nfs/dbraw/zinc/32/80/11/719328011.db2.gz FQYKDACZMFIIRB-UHFFFAOYSA-N 1 0 405.506 2.653 20 0 HFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[NH+](CC(C)C)CC2)cc1 ZINC001164652317 719330034 /nfs/dbraw/zinc/33/00/34/719330034.db2.gz KMPICVKPNAVQOR-UHFFFAOYSA-N 1 0 413.547 2.755 20 0 HFADRO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001164671338 719378616 /nfs/dbraw/zinc/37/86/16/719378616.db2.gz WXMMVZQYHSTSMQ-KNQAVFIVSA-N 1 0 406.486 2.737 20 0 HFADRO CC(C)N(C)Cc1nn(-c2nccc(-c3ccc(N(C)C)cc3)n2)c2c1CC[NH2+]C2 ZINC001164680193 719634449 /nfs/dbraw/zinc/63/44/49/719634449.db2.gz SAEDYTRFBJWTGY-UHFFFAOYSA-N 1 0 405.550 2.881 20 0 HFADRO CC(C)N(C)Cc1nn(-c2ccc(C(=O)N3CCC[C@H](C)C3)cn2)c2c1CC[NH2+]C2 ZINC001164680564 719638946 /nfs/dbraw/zinc/63/89/46/719638946.db2.gz WEDSYEBXIXCTAQ-KRWDZBQOSA-N 1 0 410.566 2.625 20 0 HFADRO CC(C)N(C)Cc1nn(-c2nc(-c3ccncc3)nc3c2CCC3)c2c1CC[NH2+]C2 ZINC001164680577 719645025 /nfs/dbraw/zinc/64/50/25/719645025.db2.gz WOYXRTBSLRYNDK-UHFFFAOYSA-N 1 0 403.534 2.699 20 0 HFADRO COc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164681395 719658072 /nfs/dbraw/zinc/65/80/72/719658072.db2.gz NOANTXJOITXQOT-SFHVURJKSA-N 1 0 423.561 2.579 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CC2 ZINC001164687410 719736668 /nfs/dbraw/zinc/73/66/68/719736668.db2.gz WUMVAXCFOWKNPM-UHFFFAOYSA-N 1 0 412.925 2.945 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)cc4c2C(=O)NC4=O)CC3)cs1 ZINC001164691575 719813520 /nfs/dbraw/zinc/81/35/20/719813520.db2.gz HUUHEHDQTJYOPO-UHFFFAOYSA-N 1 0 411.531 2.674 20 0 HFADRO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21 ZINC001164697084 719892630 /nfs/dbraw/zinc/89/26/30/719892630.db2.gz JMLQBDILSDMMOE-HNNXBMFYSA-N 1 0 413.547 2.855 20 0 HFADRO CC1(C)C(=O)Nc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21 ZINC001164696725 719897181 /nfs/dbraw/zinc/89/71/81/719897181.db2.gz HZWWXCVTLMFFER-UHFFFAOYSA-N 1 0 413.547 2.639 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(NC3CC3)n1)CC2 ZINC001164712005 720093320 /nfs/dbraw/zinc/09/33/20/720093320.db2.gz TWLNWKGKGWXSIE-HXUWFJFHSA-N 1 0 408.550 2.953 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)ncc1F)CC2 ZINC001164719089 720115522 /nfs/dbraw/zinc/11/55/22/720115522.db2.gz VTYCNVSFMPOOOZ-QGZVFWFLSA-N 1 0 401.486 2.527 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)C2 ZINC001164816504 720121115 /nfs/dbraw/zinc/12/11/15/720121115.db2.gz ZKCLMNSIXAOWGV-UWJYYQICSA-N 1 0 422.957 2.553 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164710848 720130279 /nfs/dbraw/zinc/13/02/79/720130279.db2.gz DULMNFQJQBQOBW-FQEVSTJZSA-N 1 0 419.533 2.565 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(SCC(=O)OC)n1)C2 ZINC001164816055 720152116 /nfs/dbraw/zinc/15/21/16/720152116.db2.gz KBHKOYROFDOTJZ-DYESRHJHSA-N 1 0 405.564 2.531 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164819012 720169712 /nfs/dbraw/zinc/16/97/12/720169712.db2.gz VFLCXTVLVARAOL-MAUKXSAKSA-N 1 0 416.900 2.782 20 0 HFADRO Cn1nnc2c1CCN(c1nccc3ccc(F)cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715417 720183681 /nfs/dbraw/zinc/18/36/81/720183681.db2.gz BJVRXCFTKGOMJB-HXUWFJFHSA-N 1 0 410.497 2.719 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164811413 720200579 /nfs/dbraw/zinc/20/05/79/720200579.db2.gz HEEVJYMACMBBRA-KSSFIOAISA-N 1 0 416.900 2.868 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(OC)nc(Cl)n1)C2 ZINC001164812885 720201493 /nfs/dbraw/zinc/20/14/93/720201493.db2.gz MTEYCMPQSJRFQB-KSSFIOAISA-N 1 0 416.900 2.868 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3c4c([nH]c31)CCC4)CCC2 ZINC001164817050 720244455 /nfs/dbraw/zinc/24/44/55/720244455.db2.gz OJTKHGWVSHBXIQ-UHFFFAOYSA-N 1 0 406.534 2.859 20 0 HFADRO CSc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(SC)n1 ZINC001164816737 720245986 /nfs/dbraw/zinc/24/59/86/720245986.db2.gz LTALOYCHZKWHHY-UHFFFAOYSA-N 1 0 420.608 2.728 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824499 720289847 /nfs/dbraw/zinc/28/98/47/720289847.db2.gz RFXOTULUGAFMSE-HUUCEWRRSA-N 1 0 409.987 2.763 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(Cl)nc(C3CC3)n2)CC1 ZINC001164827839 720299568 /nfs/dbraw/zinc/29/95/68/720299568.db2.gz YHSPWCBCBOPUQX-IAGOWNOFSA-N 1 0 403.958 2.919 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CCCC3)CC1 ZINC001164826061 720303606 /nfs/dbraw/zinc/30/36/06/720303606.db2.gz VEIOCJZSKGXDKA-MOPGFXCFSA-N 1 0 417.985 2.920 20 0 HFADRO COc1cccc2cnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164823276 720320911 /nfs/dbraw/zinc/32/09/11/720320911.db2.gz AFRNCMXEVCKHSJ-RBUKOAKNSA-N 1 0 409.534 2.550 20 0 HFADRO COc1ccc2nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(C)c2c1 ZINC001164823877 720324196 /nfs/dbraw/zinc/32/41/96/720324196.db2.gz BOCBLUGREQTMCF-FCHUYYIVSA-N 1 0 423.561 2.858 20 0 HFADRO COC(OC)c1cc(C)cnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826219 720332004 /nfs/dbraw/zinc/33/20/04/720332004.db2.gz FTHOSZCZXJFQFK-UXHICEINSA-N 1 0 416.566 2.593 20 0 HFADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccccn2)n1 ZINC001164825710 720337297 /nfs/dbraw/zinc/33/72/97/720337297.db2.gz JMBYVFATFOHXEX-LEWJYISDSA-N 1 0 420.561 2.759 20 0 HFADRO COc1nnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc21 ZINC001164827477 720338099 /nfs/dbraw/zinc/33/80/99/720338099.db2.gz MBDLMCQMYJMXPE-WOJBJXKFSA-N 1 0 409.534 2.550 20 0 HFADRO COc1nnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc21 ZINC001164827474 720338180 /nfs/dbraw/zinc/33/81/80/720338180.db2.gz MBDLMCQMYJMXPE-PMACEKPBSA-N 1 0 409.534 2.550 20 0 HFADRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)o1 ZINC001164829558 720345759 /nfs/dbraw/zinc/34/57/59/720345759.db2.gz SNIDGRPCJQNQDR-PMACEKPBSA-N 1 0 409.534 2.957 20 0 HFADRO Cc1nc(CN2CCN(C)C3(CCN(c4cc5[nH]ccc5c[nH+]4)CC3)C2=O)cs1 ZINC001164825493 720361097 /nfs/dbraw/zinc/36/10/97/720361097.db2.gz PRTGEOMNLXUIBG-UHFFFAOYSA-N 1 0 410.547 2.641 20 0 HFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc-2n1 ZINC001164731047 720378964 /nfs/dbraw/zinc/37/89/64/720378964.db2.gz YKQPFASDHFQXOC-MOPGFXCFSA-N 1 0 407.474 2.606 20 0 HFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)[nH]1 ZINC001164724726 720402855 /nfs/dbraw/zinc/40/28/55/720402855.db2.gz LHAHQPMARHJKAL-CVEARBPZSA-N 1 0 412.881 2.646 20 0 HFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731550 720482989 /nfs/dbraw/zinc/48/29/89/720482989.db2.gz WKTIRMRBEWZHIK-BMFZPTHFSA-N 1 0 401.898 2.655 20 0 HFADRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1C(=O)OCC ZINC001164722469 720485236 /nfs/dbraw/zinc/48/52/36/720485236.db2.gz AUGNSJSYWYUDOC-OALUTQOASA-N 1 0 424.501 2.683 20 0 HFADRO C[N@H+](Cc1ccc(N2CC[C@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727612 720503082 /nfs/dbraw/zinc/50/30/82/720503082.db2.gz NOYXLQAYKTWENL-OFNKIYASSA-N 1 0 407.518 2.695 20 0 HFADRO COc1cc2nc(Cl)c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nc2cc1OC ZINC001164729356 720515733 /nfs/dbraw/zinc/51/57/33/720515733.db2.gz MSGQXGGJQVMJBX-CYBMUJFWSA-N 1 0 416.913 2.695 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)C1 ZINC001164732566 720525772 /nfs/dbraw/zinc/52/57/72/720525772.db2.gz DWRNZEDGWUIFDU-MRXNPFEDSA-N 1 0 416.957 2.756 20 0 HFADRO COc1ccc(Oc2cc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nc(C)n2)cc1 ZINC001164735994 720531161 /nfs/dbraw/zinc/53/11/61/720531161.db2.gz TWLJKRGQMWCUCA-QGZVFWFLSA-N 1 0 408.506 2.980 20 0 HFADRO COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(F)c1 ZINC001164839305 720533552 /nfs/dbraw/zinc/53/35/52/720533552.db2.gz QDYJJQQRFZEJEA-ZHALLVOQSA-N 1 0 401.486 2.582 20 0 HFADRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cnc(Cl)cc1C(N)=O ZINC001164735529 720545225 /nfs/dbraw/zinc/54/52/25/720545225.db2.gz PAEMJUNHJXSTBU-GFCCVEGCSA-N 1 0 416.900 2.895 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(N(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833608 720551744 /nfs/dbraw/zinc/55/17/44/720551744.db2.gz APCPKJJISSTEDQ-IXDOHACOSA-N 1 0 403.962 2.770 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(N(C)C)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833610 720552770 /nfs/dbraw/zinc/55/27/70/720552770.db2.gz APCPKJJISSTEDQ-YESZJQIVSA-N 1 0 403.962 2.770 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C(=O)N4CCCC4)ccn3)CC[C@@H]21 ZINC001164833833 720574408 /nfs/dbraw/zinc/57/44/08/720574408.db2.gz BTORALOVVSVSDL-FKBYEOEOSA-N 1 0 422.577 2.892 20 0 HFADRO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736485 720576373 /nfs/dbraw/zinc/57/63/73/720576373.db2.gz LLFSOQIBLPWARX-UHFFFAOYSA-N 1 0 414.913 2.819 20 0 HFADRO CC1CCN(C(=O)c2cccnc2N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC1 ZINC001164736283 720580581 /nfs/dbraw/zinc/58/05/81/720580581.db2.gz GPNLHVVTXOBFMH-UHFFFAOYSA-N 1 0 422.577 2.809 20 0 HFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2)C1 ZINC001164736956 720580798 /nfs/dbraw/zinc/58/07/98/720580798.db2.gz WQTPMKZUPODLGY-LJQANCHMSA-N 1 0 422.577 2.809 20 0 HFADRO Fc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1F ZINC001164737767 720676200 /nfs/dbraw/zinc/67/62/00/720676200.db2.gz GWOLGSYQEWKKBH-NWDGAFQWSA-N 1 0 418.835 2.693 20 0 HFADRO CSc1nc2ccsc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738456 720684187 /nfs/dbraw/zinc/68/41/87/720684187.db2.gz JVDZUPPROAUPRS-OLZOCXBDSA-N 1 0 400.533 2.545 20 0 HFADRO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742039 720697248 /nfs/dbraw/zinc/69/72/48/720697248.db2.gz VMOJGFPXNXVFEB-OLZOCXBDSA-N 1 0 420.851 2.893 20 0 HFADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164839348 720702947 /nfs/dbraw/zinc/70/29/47/720702947.db2.gz LJCPYQWYYLZFCB-OAQYLSRUSA-N 1 0 424.545 2.842 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164839886 720703794 /nfs/dbraw/zinc/70/37/94/720703794.db2.gz OBJRRGBKEYQALA-HXUWFJFHSA-N 1 0 404.518 2.922 20 0 HFADRO COCCOc1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164842364 720715766 /nfs/dbraw/zinc/71/57/66/720715766.db2.gz YSWDSEMNTLYMHH-HXUWFJFHSA-N 1 0 412.534 2.762 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(=O)NC3CC3)nn1)CC2 ZINC001164839891 720719176 /nfs/dbraw/zinc/71/91/76/720719176.db2.gz OEIIIFMRLSORHK-FQEVSTJZSA-N 1 0 421.545 2.629 20 0 HFADRO c1ccc(COc2cccnc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164746930 720755745 /nfs/dbraw/zinc/75/57/45/720755745.db2.gz YYPSTFKIQMCJKA-VQTJNVASSA-N 1 0 403.486 2.793 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)n2)CC1 ZINC001164843998 720776025 /nfs/dbraw/zinc/77/60/25/720776025.db2.gz BGCASWAIJZLIAV-FKBYEOEOSA-N 1 0 423.561 2.572 20 0 HFADRO Cc1c(Cl)nc(CC(C)C)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164751212 720801144 /nfs/dbraw/zinc/80/11/44/720801144.db2.gz XLOBUQXKEAQENY-JKSUJKDBSA-N 1 0 402.930 2.769 20 0 HFADRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1F ZINC001164745511 720802122 /nfs/dbraw/zinc/80/21/22/720802122.db2.gz KQUUANLJUXOCEE-IAGOWNOFSA-N 1 0 406.465 2.723 20 0 HFADRO Cc1nc2sccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743399 720808501 /nfs/dbraw/zinc/80/85/01/720808501.db2.gz FWJLULJXGUITAL-JENIJYKNSA-N 1 0 409.563 2.971 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749804 720808815 /nfs/dbraw/zinc/80/88/15/720808815.db2.gz UOGNWOKMOPAPEB-SVFBPWRDSA-N 1 0 424.549 2.538 20 0 HFADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164743371 720809673 /nfs/dbraw/zinc/80/96/73/720809673.db2.gz FQUFLADRYJMKPI-SVFBPWRDSA-N 1 0 424.549 2.538 20 0 HFADRO Clc1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748711 720812550 /nfs/dbraw/zinc/81/25/50/720812550.db2.gz RBUAZIIROLQEEL-IJEWVQPXSA-N 1 0 408.337 2.754 20 0 HFADRO Clc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748712 720812728 /nfs/dbraw/zinc/81/27/28/720812728.db2.gz RBUAZIIROLQEEL-OFQRWUPVSA-N 1 0 408.337 2.754 20 0 HFADRO CCc1ncnc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748762 720814622 /nfs/dbraw/zinc/81/46/22/720814622.db2.gz RIZNHILDEWYTSF-LZLYRXPVSA-N 1 0 401.946 2.663 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2cnccc12 ZINC001164745591 720814913 /nfs/dbraw/zinc/81/49/13/720814913.db2.gz WYUPPMUIYBYVED-GPMSIDNRSA-N 1 0 424.940 2.649 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2cnccc12 ZINC001164745592 720815049 /nfs/dbraw/zinc/81/50/49/720815049.db2.gz WYUPPMUIYBYVED-JTDSTZFVSA-N 1 0 424.940 2.649 20 0 HFADRO Clc1ccc2c(ncnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742100 720816400 /nfs/dbraw/zinc/81/64/00/720816400.db2.gz PUBJANSCYPEJBY-SOLBZPMBSA-N 1 0 424.940 2.649 20 0 HFADRO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738411 720816654 /nfs/dbraw/zinc/81/66/54/720816654.db2.gz FQDRBGSIONQAFM-BHYGNILZSA-N 1 0 423.899 2.646 20 0 HFADRO COc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164739752 720817809 /nfs/dbraw/zinc/81/78/09/720817809.db2.gz IHVDUJRMJYNUOW-KGVIQGDOSA-N 1 0 419.533 2.609 20 0 HFADRO Cc1cccc2ncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164738764 720824451 /nfs/dbraw/zinc/82/44/51/720824451.db2.gz GGTDXCMYRRTPDY-SFHLNBCPSA-N 1 0 403.534 2.909 20 0 HFADRO Cc1nc(C)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)n1 ZINC001164742785 720824512 /nfs/dbraw/zinc/82/45/12/720824512.db2.gz QWRZMLKHOWPCRP-OKZBNKHCSA-N 1 0 401.946 2.718 20 0 HFADRO COc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164738363 720825222 /nfs/dbraw/zinc/82/52/22/720825222.db2.gz FBJGZRUTBADZAD-LZLYRXPVSA-N 1 0 402.930 2.715 20 0 HFADRO COc1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164746152 720829491 /nfs/dbraw/zinc/82/94/91/720829491.db2.gz YBPSVZLAKCRMBG-NJNPRVFISA-N 1 0 419.533 2.609 20 0 HFADRO Clc1cc(C2CC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740744 720830616 /nfs/dbraw/zinc/83/06/16/720830616.db2.gz LCYMJTTVWCPFBO-ZIFCJYIRSA-N 1 0 413.957 2.978 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744489 720831589 /nfs/dbraw/zinc/83/15/89/720831589.db2.gz URGGQPSQXJQYKJ-ARFHVFGLSA-N 1 0 419.986 2.823 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(SC)n3)CC[C@H]2C1 ZINC001164854273 720836863 /nfs/dbraw/zinc/83/68/63/720836863.db2.gz QWZFFUJXGMOKCY-STQMWFEESA-N 1 0 422.929 2.570 20 0 HFADRO Cc1cc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2s1 ZINC001164748864 720841957 /nfs/dbraw/zinc/84/19/57/720841957.db2.gz VAYCHSYTGFMGDZ-JENIJYKNSA-N 1 0 409.563 2.971 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164748804 720852693 /nfs/dbraw/zinc/85/26/93/720852693.db2.gz MDZRHMUADWFLFB-GUDVDZBRSA-N 1 0 413.595 2.948 20 0 HFADRO Cc1cc2cccnc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748873 720854038 /nfs/dbraw/zinc/85/40/38/720854038.db2.gz MTMKDBXNSMJYDQ-PWRODBHTSA-N 1 0 403.534 2.909 20 0 HFADRO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2C1 ZINC001164744606 720855571 /nfs/dbraw/zinc/85/55/71/720855571.db2.gz BXHNMKGDZCURLB-KREFBHGWSA-N 1 0 407.566 2.572 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@@H]2C1 ZINC001164860262 720856070 /nfs/dbraw/zinc/85/60/70/720856070.db2.gz WDYOOFSZATTWTB-IEBWSBKVSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@H]2C1 ZINC001164854993 720856156 /nfs/dbraw/zinc/85/61/56/720856156.db2.gz LYKHEWWKABUVQL-LPHOPBHVSA-N 1 0 402.926 2.971 20 0 HFADRO c1csc(-c2nccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)n1 ZINC001164750210 720860505 /nfs/dbraw/zinc/86/05/05/720860505.db2.gz ORJVDCWPOHKZAB-OKZBNKHCSA-N 1 0 422.562 2.571 20 0 HFADRO CN(C)c1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753313 720874487 /nfs/dbraw/zinc/87/44/87/720874487.db2.gz OZJXGRMOWVZCSI-QPPBQGQZSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@H]2C1 ZINC001164863741 720874840 /nfs/dbraw/zinc/87/48/40/720874840.db2.gz UBUXDNQAWMXPSG-AVRDEDQJSA-N 1 0 419.529 2.865 20 0 HFADRO COc1cncnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749949 720880807 /nfs/dbraw/zinc/88/08/07/720880807.db2.gz IEHWEPJXVULDCA-NZQKXSOJSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC[C@H]2C1 ZINC001164865245 720886240 /nfs/dbraw/zinc/88/62/40/720886240.db2.gz ZCQSGXVTWNXMCQ-ZWKOTPCHSA-N 1 0 417.941 2.674 20 0 HFADRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C)n1 ZINC001164757894 720887538 /nfs/dbraw/zinc/88/75/38/720887538.db2.gz WFCAQVXUCARTGD-ZJSXRUAMSA-N 1 0 423.561 2.944 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccnc(CSc4ccccc4)n3)CC[C@H]2C1 ZINC001164864634 720887980 /nfs/dbraw/zinc/88/79/80/720887980.db2.gz WGEAMJDGYMVMFL-AZUAARDMSA-N 1 0 414.575 2.942 20 0 HFADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164859829 720939617 /nfs/dbraw/zinc/93/96/17/720939617.db2.gz NUOPJGHSGBOHJS-CQSZACIVSA-N 1 0 411.510 2.753 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164749489 720950292 /nfs/dbraw/zinc/95/02/92/720950292.db2.gz GWMNPKDWEWJTSZ-UHFFFAOYSA-N 1 0 418.712 2.884 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)[C@H]2C ZINC001164858869 720970691 /nfs/dbraw/zinc/97/06/91/720970691.db2.gz IRAZWKICCGIMRE-NSHDSACASA-N 1 0 406.893 2.735 20 0 HFADRO CCOC(=O)c1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(OC)c1 ZINC001164856376 720977390 /nfs/dbraw/zinc/97/73/90/720977390.db2.gz BZOLJYRPPVGXDL-HNNXBMFYSA-N 1 0 401.511 2.885 20 0 HFADRO COC(=O)c1ccc2c(ccnc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866371 721076492 /nfs/dbraw/zinc/07/64/92/721076492.db2.gz SVVKXAPECARKES-NHCUHLMSSA-N 1 0 418.497 2.896 20 0 HFADRO COC(=O)c1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001164863526 721078542 /nfs/dbraw/zinc/07/85/42/721078542.db2.gz CNZOYPXFVNVFGN-RTWAWAEBSA-N 1 0 418.497 2.896 20 0 HFADRO CCOC(=O)c1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1Cl ZINC001164763619 721082286 /nfs/dbraw/zinc/08/22/86/721082286.db2.gz GDYOXQHTZUAHEH-HZPDHXFCSA-N 1 0 403.914 2.604 20 0 HFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164863799 721095121 /nfs/dbraw/zinc/09/51/21/721095121.db2.gz DHRILTNJKYUJMJ-MSOLQXFVSA-N 1 0 416.909 2.786 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164879823 721139144 /nfs/dbraw/zinc/13/91/44/721139144.db2.gz UHOBTLXOCTTXPL-WOJBJXKFSA-N 1 0 402.502 2.722 20 0 HFADRO Cc1nc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(Cl)c1C ZINC001164766512 721160858 /nfs/dbraw/zinc/16/08/58/721160858.db2.gz LVUTWZJGUHTVTB-CVEARBPZSA-N 1 0 410.900 2.984 20 0 HFADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164875413 721167189 /nfs/dbraw/zinc/16/71/89/721167189.db2.gz LMWKWDNDHGKGAC-LEWJYISDSA-N 1 0 408.550 2.732 20 0 HFADRO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164774377 721178314 /nfs/dbraw/zinc/17/83/14/721178314.db2.gz YTAOVMDRVMRVRI-SFTDATJTSA-N 1 0 417.561 2.901 20 0 HFADRO COc1ccc(-c2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164762001 721194882 /nfs/dbraw/zinc/19/48/82/721194882.db2.gz BQMJJUMUGOMARE-WOJBJXKFSA-N 1 0 404.518 2.844 20 0 HFADRO COc1cc(C)c2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867888 721197306 /nfs/dbraw/zinc/19/73/06/721197306.db2.gz IYMKVDJNZCUMTI-AZUAARDMSA-N 1 0 405.502 2.822 20 0 HFADRO COc1cc2cnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2cc1OC ZINC001164768284 721211095 /nfs/dbraw/zinc/21/10/95/721211095.db2.gz KTLMBUKOWLTPOF-YLJYHZDGSA-N 1 0 407.518 2.944 20 0 HFADRO CC(C)c1noc(-c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2)n1 ZINC001164773823 721223125 /nfs/dbraw/zinc/22/31/25/721223125.db2.gz XFGKEVMIBUPZMX-OALUTQOASA-N 1 0 407.522 2.947 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@H]3C2)cn1 ZINC001164761904 721229751 /nfs/dbraw/zinc/22/97/51/721229751.db2.gz JZWGFWJBJBENGD-RBUKOAKNSA-N 1 0 414.517 2.507 20 0 HFADRO COC(=O)c1cc(Cl)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C ZINC001164760509 721237574 /nfs/dbraw/zinc/23/75/74/721237574.db2.gz FIRCPDFGEVWTQT-HZPDHXFCSA-N 1 0 403.914 2.522 20 0 HFADRO C[N@H+](Cc1ccc(N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1)C1CC1 ZINC001164768142 721276762 /nfs/dbraw/zinc/27/67/62/721276762.db2.gz KMXWTDVZCLVRON-LJQANCHMSA-N 1 0 404.518 2.983 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4ccc(C)nn4)[C@@H]3C2)nc1 ZINC001164775696 721313865 /nfs/dbraw/zinc/31/38/65/721313865.db2.gz ILJNWTQOCLTGQY-NJDAHSKKSA-N 1 0 408.550 2.821 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2COC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC001164887498 721339454 /nfs/dbraw/zinc/33/94/54/721339454.db2.gz UZVJPLOKGCXHGD-DYESRHJHSA-N 1 0 407.942 2.558 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885685 721381691 /nfs/dbraw/zinc/38/16/91/721381691.db2.gz CZCXHNIVHHZKEX-JLTOFOAXSA-N 1 0 422.936 2.516 20 0 HFADRO Cc1nc2ccc(F)cc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892899 721397329 /nfs/dbraw/zinc/39/73/29/721397329.db2.gz UIHRAMXPORDVIZ-XXBNENTESA-N 1 0 413.541 2.843 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4SCC5)C3)O2)CC1 ZINC001164892440 721402212 /nfs/dbraw/zinc/40/22/12/721402212.db2.gz YGRFTWOQRRYNEC-FOIQADDNSA-N 1 0 424.014 2.544 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@H](F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164887730 721411724 /nfs/dbraw/zinc/41/17/24/721411724.db2.gz MSJSULUANDIEAH-VDGAXYAQSA-N 1 0 412.937 2.628 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@@H](F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164887727 721411924 /nfs/dbraw/zinc/41/19/24/721411924.db2.gz MSJSULUANDIEAH-DBVUQKKJSA-N 1 0 412.937 2.628 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893643 721430282 /nfs/dbraw/zinc/43/02/82/721430282.db2.gz JSERHHUKSGDGIE-DNVCBOLYSA-N 1 0 412.003 2.617 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164888791 721441939 /nfs/dbraw/zinc/44/19/39/721441939.db2.gz AZQHIUPEWDSHOD-GHTZIAJQSA-N 1 0 405.612 2.743 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5c(nc4Cl)CCCC5)C3)O2)CC1 ZINC001164888399 721451761 /nfs/dbraw/zinc/45/17/61/721451761.db2.gz LXXDCOZGYVPQRB-HTAPYJJXSA-N 1 0 420.001 2.774 20 0 HFADRO c1cncc(NCc2nnn3c2CN(c2ncccc2C[NH+]2CCCC2)CCC3)c1 ZINC001164789775 721475547 /nfs/dbraw/zinc/47/55/47/721475547.db2.gz CGLHGIGEFMNHME-UHFFFAOYSA-N 1 0 404.522 2.686 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(Cl)nc1C(N)=O)CC2 ZINC001164792446 721497051 /nfs/dbraw/zinc/49/70/51/721497051.db2.gz OTJWMLXXFCDOKO-UHFFFAOYSA-N 1 0 400.914 2.505 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(=O)NC3CC3)nn1)CC2 ZINC001164795906 721501698 /nfs/dbraw/zinc/50/16/98/721501698.db2.gz MRPZNTAXGMNKOB-UHFFFAOYSA-N 1 0 406.534 2.645 20 0 HFADRO COc1ccc2c(C)cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2c1 ZINC001164797782 721515900 /nfs/dbraw/zinc/51/59/00/721515900.db2.gz NBERHIKYVZSFAI-UHFFFAOYSA-N 1 0 406.534 2.516 20 0 HFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[N@@H+]3C2)c1 ZINC001164902151 721518601 /nfs/dbraw/zinc/51/86/01/721518601.db2.gz ZRDTXIWMTOVVDH-FUHWJXTLSA-N 1 0 422.460 2.882 20 0 HFADRO Cc1ccc(C)c(-c2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nn2)c1 ZINC001164794726 721520310 /nfs/dbraw/zinc/52/03/10/721520310.db2.gz HAFLOCNBTWWGCG-UHFFFAOYSA-N 1 0 417.561 2.725 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)ccc12 ZINC001164900814 721525155 /nfs/dbraw/zinc/52/51/55/721525155.db2.gz VCRYDFOVENDLLE-DOTOQJQBSA-N 1 0 410.449 2.831 20 0 HFADRO COC(=O)c1cc(F)c(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909736 721533690 /nfs/dbraw/zinc/53/36/90/721533690.db2.gz RRZAGRBUQHEWNI-WBVHZDCISA-N 1 0 403.429 2.797 20 0 HFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)c1 ZINC001164905858 721542565 /nfs/dbraw/zinc/54/25/65/721542565.db2.gz JHSDSLQICDTWEJ-IEBWSBKVSA-N 1 0 415.465 2.748 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ccc12 ZINC001164810625 721543529 /nfs/dbraw/zinc/54/35/29/721543529.db2.gz XKUSSDAHVOOXDG-SVFBPWRDSA-N 1 0 421.501 2.613 20 0 HFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc[nH]c5nc(=S)sc4-5)CC[N@@H+]3C2)c1 ZINC001164906824 721550332 /nfs/dbraw/zinc/55/03/32/721550332.db2.gz LMVYHNBDPIWHCS-GXTWGEPZSA-N 1 0 403.508 2.856 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(N)=O)cc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164807638 721582325 /nfs/dbraw/zinc/58/23/25/721582325.db2.gz PBHQSNZHGYZQGL-BHDDXSALSA-N 1 0 417.513 2.597 20 0 HFADRO NC(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904978 721705144 /nfs/dbraw/zinc/70/51/44/721705144.db2.gz GFYNEGWYBVLJLO-IBGZPJMESA-N 1 0 421.879 2.967 20 0 HFADRO FC1(F)CCN(c2ccc(-n3ccnc3)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907351 721714585 /nfs/dbraw/zinc/71/45/85/721714585.db2.gz RCQNMTUPDKEZIB-FQEVSTJZSA-N 1 0 411.460 2.795 20 0 HFADRO CCNC(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906258 721714718 /nfs/dbraw/zinc/71/47/18/721714718.db2.gz LVWNWWAUEWYWEU-NRFANRHFSA-N 1 0 415.488 2.964 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)s1 ZINC001165010623 721739536 /nfs/dbraw/zinc/73/95/36/721739536.db2.gz HMDIDPBWSSJVKR-UHFFFAOYSA-N 1 0 408.959 2.571 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2c(F)ccc3c(Cl)ncnc32)CC1 ZINC001165012655 721750591 /nfs/dbraw/zinc/75/05/91/721750591.db2.gz LPGAQMBOOZBOMV-UHFFFAOYSA-N 1 0 405.905 2.945 20 0 HFADRO O=C(c1ccco1)N1C[C@H]2CCCN(c3cccc(OCC[NH+]4CCCC4)n3)[C@H]2C1 ZINC001165015044 721771583 /nfs/dbraw/zinc/77/15/83/721771583.db2.gz HNUPZQGOCKFOSF-MOPGFXCFSA-N 1 0 410.518 2.890 20 0 HFADRO COc1ccc2c(cc[nH+]c2N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC001164913626 721774483 /nfs/dbraw/zinc/77/44/83/721774483.db2.gz YTNPWWKXSYWDJY-DEOSSOPVSA-N 1 0 420.513 2.746 20 0 HFADRO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165024119 721819035 /nfs/dbraw/zinc/81/90/35/721819035.db2.gz ISHAWFVKCQKQEA-YYWHXJBOSA-N 1 0 409.534 2.714 20 0 HFADRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164921131 721836631 /nfs/dbraw/zinc/83/66/31/721836631.db2.gz BWKKSUMTVBUNPK-OFNKIYASSA-N 1 0 408.550 2.732 20 0 HFADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[NH+](C2CCCC2)CC1 ZINC001165029101 721854879 /nfs/dbraw/zinc/85/48/79/721854879.db2.gz RRVBALJYLBTBHW-UHFFFAOYSA-N 1 0 411.531 2.733 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926571 721865171 /nfs/dbraw/zinc/86/51/71/721865171.db2.gz RWRDYJVPGYIHFO-QZTJIDSGSA-N 1 0 401.942 2.924 20 0 HFADRO CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c(Cl)n1 ZINC001164921887 721876119 /nfs/dbraw/zinc/87/61/19/721876119.db2.gz DLUVUDIHXCMZGX-CVEARBPZSA-N 1 0 416.900 2.671 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164933622 721887434 /nfs/dbraw/zinc/88/74/34/721887434.db2.gz NLIWMLJFIMGWFU-CABCVRRESA-N 1 0 417.888 2.587 20 0 HFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1C ZINC000015130020 721917062 /nfs/dbraw/zinc/91/70/62/721917062.db2.gz RSYZXWWKPXDMMM-HNNXBMFYSA-N 1 0 404.536 2.786 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(NC(N)=S)cn4)CC3)C2)cc1 ZINC001164940047 721932597 /nfs/dbraw/zinc/93/25/97/721932597.db2.gz PWCNRXNBUDIIBN-UHFFFAOYSA-N 1 0 411.575 2.917 20 0 HFADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049856 721972739 /nfs/dbraw/zinc/97/27/39/721972739.db2.gz SRZDPCYXUXPYOO-OAHLLOKOSA-N 1 0 420.945 2.888 20 0 HFADRO COC(=O)c1cnc(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953837 722012749 /nfs/dbraw/zinc/01/27/49/722012749.db2.gz GVIDOZSHJBCMKH-UHFFFAOYSA-N 1 0 401.898 2.804 20 0 HFADRO COC(=O)CSc1cncc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955691 722022751 /nfs/dbraw/zinc/02/27/51/722022751.db2.gz NJLKMNFNBWYTRH-UHFFFAOYSA-N 1 0 413.547 2.629 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3COC[C@H]32)nc1 ZINC001164962549 722038150 /nfs/dbraw/zinc/03/81/50/722038150.db2.gz NWFXSJHORDCFAW-ITTUMRLJSA-N 1 0 423.561 2.601 20 0 HFADRO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164961105 722040169 /nfs/dbraw/zinc/04/01/69/722040169.db2.gz LVIZUDAUFKEMEJ-FVQHAEBGSA-N 1 0 410.896 2.863 20 0 HFADRO Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1N1CCCC1 ZINC001164958212 722051907 /nfs/dbraw/zinc/05/19/07/722051907.db2.gz DWCLCZHJMAYAQB-UHFFFAOYSA-N 1 0 422.577 2.899 20 0 HFADRO COc1c(Cl)nc(C)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962509 722056372 /nfs/dbraw/zinc/05/63/72/722056372.db2.gz DZVDIGYLXOZEQD-UHFFFAOYSA-N 1 0 417.941 2.961 20 0 HFADRO CC(=O)Nc1c(C)ccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961640 722058977 /nfs/dbraw/zinc/05/89/77/722058977.db2.gz NMJRISUMRISXRB-UHFFFAOYSA-N 1 0 409.534 2.862 20 0 HFADRO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164963689 722064923 /nfs/dbraw/zinc/06/49/23/722064923.db2.gz BYRAHLGUKMKHGD-ROUUACIJSA-N 1 0 413.547 2.506 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCC4(CC[C@@H](C(=O)NCC5CC5)C4)CC3)n2)CC1 ZINC001164972889 722091676 /nfs/dbraw/zinc/09/16/76/722091676.db2.gz JAUOFLBBJHCWMB-HXUWFJFHSA-N 1 0 411.594 2.746 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(c4cnn(C)c4)C(=O)[C@@H]3C2)nc1 ZINC001164982936 722095942 /nfs/dbraw/zinc/09/59/42/722095942.db2.gz SHCGLOWWMNYQMP-HMXCVIKNSA-N 1 0 408.550 2.851 20 0 HFADRO FC(F)(c1ccnc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983372 722098496 /nfs/dbraw/zinc/09/84/96/722098496.db2.gz PQSRZOJAVWISHN-HOTGVXAUSA-N 1 0 409.868 2.797 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977255 722098948 /nfs/dbraw/zinc/09/89/48/722098948.db2.gz FKGVRFONTDBLIA-PZJWPPBQSA-N 1 0 410.518 2.689 20 0 HFADRO COC(=O)c1c(Cl)ccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984743 722102712 /nfs/dbraw/zinc/10/27/12/722102712.db2.gz UKTGVCLERJOSST-FUHWJXTLSA-N 1 0 416.909 2.644 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986030 722104611 /nfs/dbraw/zinc/10/46/11/722104611.db2.gz XTDWJUCNIKULQF-WBVHZDCISA-N 1 0 405.955 2.974 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164986022 722104729 /nfs/dbraw/zinc/10/47/29/722104729.db2.gz XTDWJUCNIKULQF-DOTOQJQBSA-N 1 0 405.955 2.974 20 0 HFADRO FC(F)(c1cnc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985880 722105610 /nfs/dbraw/zinc/10/56/10/722105610.db2.gz XJVYRSQUZYOIPP-RDJZCZTQSA-N 1 0 409.868 2.797 20 0 HFADRO COC(=O)c1cc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983358 722106172 /nfs/dbraw/zinc/10/61/72/722106172.db2.gz PQMPOTMKZQIIAY-QFBILLFUSA-N 1 0 416.909 2.644 20 0 HFADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972483 722118375 /nfs/dbraw/zinc/11/83/75/722118375.db2.gz FRHWDUZJBQCDHZ-POAQFYNOSA-N 1 0 406.889 2.985 20 0 HFADRO FC(F)(c1cnnc(Cl)c1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973053 722119172 /nfs/dbraw/zinc/11/91/72/722119172.db2.gz GGRDSGXETQJFII-DOTOQJQBSA-N 1 0 409.868 2.797 20 0 HFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984653 722132313 /nfs/dbraw/zinc/13/23/13/722132313.db2.gz YFWOFKIYGAJMTI-VQTJNVASSA-N 1 0 410.518 2.689 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984211 722147482 /nfs/dbraw/zinc/14/74/82/722147482.db2.gz WLDCBTKMNKCRPI-FYYLOGMGSA-N 1 0 416.529 2.969 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cncc(N5CCCCCC5)n4)CC[C@H]3C2)c1 ZINC001164977089 722149794 /nfs/dbraw/zinc/14/97/94/722149794.db2.gz IRLHXPLUGVWHGZ-VXKWHMMOSA-N 1 0 422.577 2.979 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977148 722153415 /nfs/dbraw/zinc/15/34/15/722153415.db2.gz XRTGQIHJQWGCOW-CTNGQTDRSA-N 1 0 410.518 2.769 20 0 HFADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-n5ccnc5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164990186 722185974 /nfs/dbraw/zinc/18/59/74/722185974.db2.gz QZIMTFMAARCLNY-WOJBJXKFSA-N 1 0 410.547 2.902 20 0 HFADRO O=C(Nc1cccnc1)c1noc2c1CN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001165001675 722248162 /nfs/dbraw/zinc/24/81/62/722248162.db2.gz RYGUGOQXPGMVRZ-UHFFFAOYSA-N 1 0 404.474 2.875 20 0 HFADRO C[N@H+](Cc1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1)C1CC1 ZINC001165001800 722249851 /nfs/dbraw/zinc/24/98/51/722249851.db2.gz VHKIZZPXZJBKRF-QHCPKHFHSA-N 1 0 410.518 2.780 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(Cl)c3ccccc31)CCC2 ZINC001165000182 722251021 /nfs/dbraw/zinc/25/10/21/722251021.db2.gz LHKPCOALNSHNAJ-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO Cc1nc(Cl)cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001164999525 722251428 /nfs/dbraw/zinc/25/14/28/722251428.db2.gz ADTBBQWGPQYTNC-UHFFFAOYSA-N 1 0 414.888 2.668 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc3ccc(Cl)cc3n1)CCC2 ZINC001164999818 722252946 /nfs/dbraw/zinc/25/29/46/722252946.db2.gz GLQWRSMNJYHNRX-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nncc3cc(Cl)ccc31)CCC2 ZINC001165002958 722254011 /nfs/dbraw/zinc/25/40/11/722254011.db2.gz YOCYITQXFUHGCU-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3sc4c(c31)CCC4)CCC2 ZINC001165005004 722256253 /nfs/dbraw/zinc/25/62/53/722256253.db2.gz ZPBGUFUUMBPKHL-UHFFFAOYSA-N 1 0 412.563 2.865 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000790495707 1078043542 /nfs/dbraw/zinc/04/35/42/1078043542.db2.gz JNGSBOBNXQFQAM-QGZVFWFLSA-N 1 0 413.440 2.931 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)NC/C=C/CNC(=O)OC(C)(C)C)CC1 ZINC000790467952 1078045108 /nfs/dbraw/zinc/04/51/08/1078045108.db2.gz NDQGTVBFSQIOJI-BQYQJAHWSA-N 1 0 403.527 2.641 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000790541163 1078047456 /nfs/dbraw/zinc/04/74/56/1078047456.db2.gz ZWOVODXLFVSBKR-NVXWUHKLSA-N 1 0 411.930 2.564 20 0 HFADRO Cc1ccc(NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)nc1Br ZINC000793034795 1078052500 /nfs/dbraw/zinc/05/25/00/1078052500.db2.gz RYUWZNYZSISEAL-UHFFFAOYSA-N 1 0 421.295 2.670 20 0 HFADRO COC(=O)c1nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1Br ZINC000772825853 1078054556 /nfs/dbraw/zinc/05/45/56/1078054556.db2.gz DFTKSRXSTGRIPE-ZFWWWQNUSA-N 1 0 411.344 2.647 20 0 HFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793049729 1078056354 /nfs/dbraw/zinc/05/63/54/1078056354.db2.gz RSSTXZRHQPUECL-GJZGRUSLSA-N 1 0 400.910 2.946 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793049731 1078056411 /nfs/dbraw/zinc/05/64/11/1078056411.db2.gz RSSTXZRHQPUECL-QWHZDKJVSA-N 1 0 400.910 2.946 20 0 HFADRO O=C1CN([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)c2ccccc2N1 ZINC000793074755 1078063018 /nfs/dbraw/zinc/06/30/18/1078063018.db2.gz LFSDFTJIVDQGHI-QGZVFWFLSA-N 1 0 408.893 2.954 20 0 HFADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N(CCO)Cc1cccnc1Cl ZINC000793083470 1078063967 /nfs/dbraw/zinc/06/39/67/1078063967.db2.gz DIBVBQIQASENKR-UHFFFAOYSA-N 1 0 424.973 2.522 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000790599053 1078063985 /nfs/dbraw/zinc/06/39/85/1078063985.db2.gz RMXUHPKRDBOWHE-QZTJIDSGSA-N 1 0 403.523 2.946 20 0 HFADRO Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccccc3N3CC[NH+](C)CC3)C2=O)cc1 ZINC000790606063 1078065806 /nfs/dbraw/zinc/06/58/06/1078065806.db2.gz XWDQRIVRYILLNU-OAQYLSRUSA-N 1 0 421.545 2.669 20 0 HFADRO C[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000793130245 1078073275 /nfs/dbraw/zinc/07/32/75/1078073275.db2.gz CEFCZFQBFPGOOU-FFZOFVMBSA-N 1 0 410.518 2.569 20 0 HFADRO C[C@H]1C[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000793093633 1078067564 /nfs/dbraw/zinc/06/75/64/1078067564.db2.gz SZBDGQYGJSDHPJ-LPHOPBHVSA-N 1 0 402.926 2.902 20 0 HFADRO Cc1nc2ccc(C(=O)NCCCN3CCN(C(=O)OC(C)(C)C)CC3)cc2n1C ZINC000793098684 1078075367 /nfs/dbraw/zinc/07/53/67/1078075367.db2.gz LXYTZIQAJNTGJD-UHFFFAOYSA-N 1 0 415.538 2.554 20 0 HFADRO Cc1nn2c(C[NH2+]Cc3ccc(N4C(=O)N[C@](C)(C5CC5)C4=O)cc3)c(C)nc2s1 ZINC000790611906 1078075526 /nfs/dbraw/zinc/07/55/26/1078075526.db2.gz YIKAHRLXDXVCAU-OAQYLSRUSA-N 1 0 424.530 2.922 20 0 HFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747101019 1078076069 /nfs/dbraw/zinc/07/60/69/1078076069.db2.gz CCSWDFMJCWOAFU-IBGZPJMESA-N 1 0 423.435 2.976 20 0 HFADRO C[NH+]1CCN(c2cc(CNC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)ccn2)CC1 ZINC000790672219 1078085608 /nfs/dbraw/zinc/08/56/08/1078085608.db2.gz XCTCWKLDBWSMFR-MAUKXSAKSA-N 1 0 412.365 2.559 20 0 HFADRO COCOc1cnc(N[C@@H](COCc2ccccc2)C(=O)OC)cc1/C=C/[NH+](C)C ZINC001170142259 1078090633 /nfs/dbraw/zinc/09/06/33/1078090633.db2.gz NOPSGLWBEYKLKD-VYENPZKTSA-N 1 0 415.490 2.767 20 0 HFADRO CC(=O)c1ccc(N2CCN(C(=O)NCC(C)(C)C[NH+]3CCCC3)CC2)c(F)c1 ZINC000790705810 1078101475 /nfs/dbraw/zinc/10/14/75/1078101475.db2.gz OTNZYAOAEJSEOP-UHFFFAOYSA-N 1 0 404.530 2.982 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)c2nc(Br)ccc2Br)C[N@@H+]1C1CC1 ZINC000790761876 1078113397 /nfs/dbraw/zinc/11/33/97/1078113397.db2.gz YUEQBTXUAIFQDC-RKDXNWHRSA-N 1 0 403.118 2.962 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000793290449 1078119503 /nfs/dbraw/zinc/11/95/03/1078119503.db2.gz HMRQJOBXOMETCB-NJDAHSKKSA-N 1 0 422.529 2.665 20 0 HFADRO COCCn1c(Cc2ccccc2OC)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793293201 1078120434 /nfs/dbraw/zinc/12/04/34/1078120434.db2.gz IBASHLNGQMGMEB-UHFFFAOYSA-N 1 0 421.545 2.846 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3cn(-c4ccccc4)nn3)cc2)CC1 ZINC000790780673 1078132656 /nfs/dbraw/zinc/13/26/56/1078132656.db2.gz SNZZKDDFKFIXRB-UHFFFAOYSA-N 1 0 420.517 2.740 20 0 HFADRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790801008 1078139059 /nfs/dbraw/zinc/13/90/59/1078139059.db2.gz SIXMPUYMLVCROI-TZIWHRDSSA-N 1 0 416.485 2.857 20 0 HFADRO O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(CC(F)(F)F)cc1 ZINC000790849529 1078147738 /nfs/dbraw/zinc/14/77/38/1078147738.db2.gz DFRSLPINICZURG-MRXNPFEDSA-N 1 0 406.470 2.713 20 0 HFADRO CN(C(=O)C(F)(F)C1CCOCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000790819328 1078154525 /nfs/dbraw/zinc/15/45/25/1078154525.db2.gz XCYRKVGPOUJMMW-RTBURBONSA-N 1 0 401.542 2.844 20 0 HFADRO CS[C@@H]1CN(C(=O)c2nc(Br)ccc2Br)C[C@H]1[NH+](C)C ZINC000790823939 1078157196 /nfs/dbraw/zinc/15/71/96/1078157196.db2.gz GQJHGTDBFJOEFH-NXEZZACHSA-N 1 0 423.174 2.724 20 0 HFADRO CC(C)Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000790895706 1078176090 /nfs/dbraw/zinc/17/60/90/1078176090.db2.gz BPJIYXITQCGMIT-UHFFFAOYSA-N 1 0 403.548 2.977 20 0 HFADRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793416773 1078177026 /nfs/dbraw/zinc/17/70/26/1078177026.db2.gz IGCWQBFSLYFPSE-AQNXPRMDSA-N 1 0 410.518 2.521 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)[C@@H](C)C1 ZINC000793510758 1078194910 /nfs/dbraw/zinc/19/49/10/1078194910.db2.gz AJIHMMHUVCLOBI-BZSNNMDCSA-N 1 0 411.587 2.885 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 ZINC000793513302 1078195466 /nfs/dbraw/zinc/19/54/66/1078195466.db2.gz BCJMQJXORQJBCG-LAUBAEHRSA-N 1 0 413.493 2.915 20 0 HFADRO CN(CCC(=O)NC1CC[NH+](Cc2cccnc2)CC1)C(=O)OCc1ccccc1 ZINC000793512688 1078195917 /nfs/dbraw/zinc/19/59/17/1078195917.db2.gz MFDZNOBCOCPHAT-UHFFFAOYSA-N 1 0 410.518 2.821 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000793514432 1078196701 /nfs/dbraw/zinc/19/67/01/1078196701.db2.gz CVAWFIOCISTDEO-MSOLQXFVSA-N 1 0 403.523 2.671 20 0 HFADRO O=S(=O)(CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000793534212 1078205888 /nfs/dbraw/zinc/20/58/88/1078205888.db2.gz OPMXHGYMBQEPSF-IRXDYDNUSA-N 1 0 406.470 2.593 20 0 HFADRO COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1C ZINC000793603604 1078222203 /nfs/dbraw/zinc/22/22/03/1078222203.db2.gz CIPWSJORAZMRCE-QFIPXVFZSA-N 1 0 420.554 2.896 20 0 HFADRO CCn1c(C[NH2+][C@@H]2CCC[C@H]2OC)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC001170435457 1078225395 /nfs/dbraw/zinc/22/53/95/1078225395.db2.gz PHYGUOXLPLDWPC-YLJYHZDGSA-N 1 0 420.579 2.888 20 0 HFADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793629668 1078233271 /nfs/dbraw/zinc/23/32/71/1078233271.db2.gz JOXXPOARPDUSQU-AVRDEDQJSA-N 1 0 411.546 2.629 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000793635956 1078236234 /nfs/dbraw/zinc/23/62/34/1078236234.db2.gz JFTBBPQCDMVNKB-XXBNENTESA-N 1 0 423.557 2.946 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000793635955 1078236243 /nfs/dbraw/zinc/23/62/43/1078236243.db2.gz JFTBBPQCDMVNKB-WMZHIEFXSA-N 1 0 423.557 2.946 20 0 HFADRO COC(=O)[C@]1(NC(=O)C[C@@H]2CCC[C@@H](OC)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000793638076 1078237219 /nfs/dbraw/zinc/23/72/19/1078237219.db2.gz VSBZPUGOPYWHQS-VIZSFHNOSA-N 1 0 402.535 2.906 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC1 ZINC000793639117 1078237466 /nfs/dbraw/zinc/23/74/66/1078237466.db2.gz INXWQSMFJKZJBG-MSOLQXFVSA-N 1 0 409.530 2.698 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000793651423 1078241486 /nfs/dbraw/zinc/24/14/86/1078241486.db2.gz MTNKVNZSYXACOU-MHECFPHRSA-N 1 0 409.530 2.527 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000793651427 1078241498 /nfs/dbraw/zinc/24/14/98/1078241498.db2.gz MTNKVNZSYXACOU-UUOWRZLLSA-N 1 0 409.530 2.527 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000793650511 1078241980 /nfs/dbraw/zinc/24/19/80/1078241980.db2.gz KZKQAUCYFUFYNO-GCJKJVERSA-N 1 0 423.557 2.773 20 0 HFADRO C[C@H](CCNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)[N@H+](C)Cc1ccccc1 ZINC000793662453 1078244432 /nfs/dbraw/zinc/24/44/32/1078244432.db2.gz GULSKVHOBLBUNF-LJQANCHMSA-N 1 0 419.529 2.515 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCc2nnc(COc3ccccn3)n2CC1 ZINC001170436377 1078248858 /nfs/dbraw/zinc/24/88/58/1078248858.db2.gz HZBVAHSDOZDGFG-GOSISDBHSA-N 1 0 421.501 2.860 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000793682327 1078252872 /nfs/dbraw/zinc/25/28/72/1078252872.db2.gz ACPPAHNYYDICQC-IBGZPJMESA-N 1 0 401.551 2.685 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCN1C(=O)OC(C)(C)C ZINC000793686201 1078256019 /nfs/dbraw/zinc/25/60/19/1078256019.db2.gz ICXRRKWPMHSDMO-ZULIPRJHSA-N 1 0 423.598 2.906 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000793685989 1078256098 /nfs/dbraw/zinc/25/60/98/1078256098.db2.gz JDGLJFRDGYJBNQ-HDYDNRTBSA-N 1 0 401.551 2.729 20 0 HFADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000793709692 1078260213 /nfs/dbraw/zinc/26/02/13/1078260213.db2.gz PEWRLZXZRIFLHP-TYPHKJRUSA-N 1 0 401.551 2.570 20 0 HFADRO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793710790 1078260613 /nfs/dbraw/zinc/26/06/13/1078260613.db2.gz UMFZLRUXWIGZEH-FXAWDEMLSA-N 1 0 411.550 2.710 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(CNC(=O)OC(C)(C)C)o1 ZINC000747145909 1078266796 /nfs/dbraw/zinc/26/67/96/1078266796.db2.gz LZUFHPDPTIHNRJ-QGPMSJSTSA-N 1 0 407.511 2.628 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[NH+]1CCCCC1 ZINC000793694811 1078271146 /nfs/dbraw/zinc/27/11/46/1078271146.db2.gz BNNMOLQZKSHIEU-DLBZAZTESA-N 1 0 418.607 2.719 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1ccnc(OC2CCC(C)CC2)c1)[NH+]1CCCCC1 ZINC000793700924 1078273819 /nfs/dbraw/zinc/27/38/19/1078273819.db2.gz NBAZCIYKTQWQCM-FDYSRKEFSA-N 1 0 416.566 2.646 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000793706364 1078276377 /nfs/dbraw/zinc/27/63/77/1078276377.db2.gz CABCOOVTJNZSPM-LSDHHAIUSA-N 1 0 415.456 2.796 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Br)cc1Cl)[NH+]1CCCCC1 ZINC000793708293 1078277323 /nfs/dbraw/zinc/27/73/23/1078277323.db2.gz MSAVBOYAGVONRP-GFCCVEGCSA-N 1 0 416.747 2.709 20 0 HFADRO COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)NC[C@H](C)[NH+]4CCCCC4)CC3)c2c1 ZINC000793708084 1078277333 /nfs/dbraw/zinc/27/73/33/1078277333.db2.gz IFMMDQIEZUHKQE-KRWDZBQOSA-N 1 0 424.545 2.783 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(CN3C(=O)N[C@@](C)(c4ccc(Cl)c(Cl)c4)C3=O)C2)C1 ZINC000793763223 1078281374 /nfs/dbraw/zinc/28/13/74/1078281374.db2.gz DKIPNUVAGSOWTD-OALUTQOASA-N 1 0 411.333 2.746 20 0 HFADRO CC[C@H]1CN(C)c2ccccc2CN1C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793736969 1078285504 /nfs/dbraw/zinc/28/55/04/1078285504.db2.gz FXUAVKDZZZKQMC-IBGZPJMESA-N 1 0 400.567 2.623 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000793740183 1078286827 /nfs/dbraw/zinc/28/68/27/1078286827.db2.gz FZWSDCJVOOSUFN-SJORKVTESA-N 1 0 407.580 2.542 20 0 HFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793750324 1078290491 /nfs/dbraw/zinc/29/04/91/1078290491.db2.gz HCOTXNRFKSASFW-MAODMQOUSA-N 1 0 424.545 2.767 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000793781175 1078292412 /nfs/dbraw/zinc/29/24/12/1078292412.db2.gz FDFVMVAZWVOGRQ-NHCUHLMSSA-N 1 0 415.578 2.993 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000793807764 1078306369 /nfs/dbraw/zinc/30/63/69/1078306369.db2.gz SOWXYWSVLRHCOA-YWZLYKJASA-N 1 0 421.476 2.941 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000793793330 1078299000 /nfs/dbraw/zinc/29/90/00/1078299000.db2.gz QDCJBNXUNHQDTP-ZVDOUQERSA-N 1 0 409.530 2.658 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000793806699 1078306051 /nfs/dbraw/zinc/30/60/51/1078306051.db2.gz VCTUJNBRYCDMTI-HOCLYGCPSA-N 1 0 423.439 2.677 20 0 HFADRO CCCc1ccc(N2C[C@H](C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)CC2=O)cc1 ZINC000747147396 1078308396 /nfs/dbraw/zinc/30/83/96/1078308396.db2.gz ZQMIPTGUIQIHBK-PSWRPDDJSA-N 1 0 413.562 2.702 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000793778067 1078309168 /nfs/dbraw/zinc/30/91/68/1078309168.db2.gz IDBSUMGYGWOUDH-HDYDNRTBSA-N 1 0 401.551 2.792 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000793846424 1078313188 /nfs/dbraw/zinc/31/31/88/1078313188.db2.gz FQLWVLKTEKEXOU-JKSUJKDBSA-N 1 0 400.548 2.971 20 0 HFADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)([NH+](C)C)C1 ZINC000793813955 1078315642 /nfs/dbraw/zinc/31/56/42/1078315642.db2.gz QMGPVCUFKLVDRI-MEKIYTOJSA-N 1 0 415.578 2.585 20 0 HFADRO Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000793830106 1078320075 /nfs/dbraw/zinc/32/00/75/1078320075.db2.gz QEPBROONTKUMFU-IBGZPJMESA-N 1 0 411.546 2.907 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2nccn2C[C@H](CN2CCCC2=O)C1 ZINC001170438553 1078322540 /nfs/dbraw/zinc/32/25/40/1078322540.db2.gz TYVOBYXIPWEXFV-MOPGFXCFSA-N 1 0 410.518 2.687 20 0 HFADRO COc1cc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC000793867300 1078328026 /nfs/dbraw/zinc/32/80/26/1078328026.db2.gz JQLODTOMAVIYFO-XMMPIXPASA-N 1 0 409.530 2.648 20 0 HFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)C1 ZINC000793909260 1078335055 /nfs/dbraw/zinc/33/50/55/1078335055.db2.gz MTEYWEAXRRMGHP-ZGIGLSJSSA-N 1 0 415.578 2.560 20 0 HFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000793913275 1078336472 /nfs/dbraw/zinc/33/64/72/1078336472.db2.gz QQFAFNLOTXTJLR-QKPAOTATSA-N 1 0 402.564 2.956 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000793928358 1078340331 /nfs/dbraw/zinc/34/03/31/1078340331.db2.gz ATXUGAITZQUWGG-LPTQZCDUSA-N 1 0 411.933 2.875 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2C[C@@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001170439869 1078340532 /nfs/dbraw/zinc/34/05/32/1078340532.db2.gz BKXLQRHSFPIMQY-OSGXGRJZSA-N 1 0 412.486 2.735 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2C[C@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001170439880 1078340554 /nfs/dbraw/zinc/34/05/54/1078340554.db2.gz BKXLQRHSFPIMQY-YNFBMLRVSA-N 1 0 412.486 2.735 20 0 HFADRO COCC1(C(=O)NCC(C)(C)C[NH+]2CCCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793959503 1078347693 /nfs/dbraw/zinc/34/76/93/1078347693.db2.gz LAMMTGYYZAJGSG-UHFFFAOYSA-N 1 0 411.587 2.888 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cs1 ZINC000793971554 1078349413 /nfs/dbraw/zinc/34/94/13/1078349413.db2.gz UAFTXFCYNLVWPJ-HNNXBMFYSA-N 1 0 408.568 2.957 20 0 HFADRO COCC1(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793971433 1078349761 /nfs/dbraw/zinc/34/97/61/1078349761.db2.gz NMSYUOXAKQJOTE-UHFFFAOYSA-N 1 0 411.587 2.888 20 0 HFADRO COCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793973130 1078349983 /nfs/dbraw/zinc/34/99/83/1078349983.db2.gz ZIHBFAIGMHFYBI-SFHVURJKSA-N 1 0 409.571 2.783 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000793946741 1078355179 /nfs/dbraw/zinc/35/51/79/1078355179.db2.gz BVNKTITWSBZFDQ-GGPKGHCWSA-N 1 0 407.599 2.667 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001170441706 1078356705 /nfs/dbraw/zinc/35/67/05/1078356705.db2.gz JTHDDWKLXRANKV-MZKRTTBSSA-N 1 0 413.518 2.883 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1 ZINC001170441472 1078361073 /nfs/dbraw/zinc/36/10/73/1078361073.db2.gz HFTYPQGQIPMJLV-HKBOAZHASA-N 1 0 415.534 2.819 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccc4nccnc4c3)cc2)CC1 ZINC000794136754 1078377084 /nfs/dbraw/zinc/37/70/84/1078377084.db2.gz PYRCSROPBQRSDB-UHFFFAOYSA-N 1 0 419.485 2.567 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000794207901 1078382642 /nfs/dbraw/zinc/38/26/42/1078382642.db2.gz UHSGOIPSVKQXLG-TZWRJOPASA-N 1 0 422.529 2.711 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001170443961 1078391956 /nfs/dbraw/zinc/39/19/56/1078391956.db2.gz SATLEKJWJASPPC-WMZHIEFXSA-N 1 0 410.518 2.898 20 0 HFADRO CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NC3CC([NH+]4CCCCC4)C3)C[C@@H](C1)C2=O ZINC000794209857 1078393653 /nfs/dbraw/zinc/39/36/53/1078393653.db2.gz MREJZLLGSJXBHQ-IWTAKMAVSA-N 1 0 419.566 2.582 20 0 HFADRO C[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)c1ccc(N2CCCCC2=O)cc1 ZINC000794216972 1078394500 /nfs/dbraw/zinc/39/45/00/1078394500.db2.gz AJMNNDQUZKQOMM-GOSISDBHSA-N 1 0 421.545 2.841 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001170445117 1078401907 /nfs/dbraw/zinc/40/19/07/1078401907.db2.gz VSRHJYBANSXYLU-NXLVEIQXSA-N 1 0 414.546 2.990 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000794326253 1078414811 /nfs/dbraw/zinc/41/48/11/1078414811.db2.gz DHWUAMBYSUVKAV-INIZCTEOSA-N 1 0 417.510 2.587 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330421 1078416047 /nfs/dbraw/zinc/41/60/47/1078416047.db2.gz VZCNNIQSZYRIEC-JKSUJKDBSA-N 1 0 401.548 2.593 20 0 HFADRO CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794338466 1078419505 /nfs/dbraw/zinc/41/95/05/1078419505.db2.gz GAFUXSSHDNRGCW-NRFANRHFSA-N 1 0 406.527 2.822 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)CCN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000794341966 1078420149 /nfs/dbraw/zinc/42/01/49/1078420149.db2.gz BUSMXTBGOYLGTK-UHFFFAOYSA-N 1 0 406.527 2.774 20 0 HFADRO CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794344892 1078420947 /nfs/dbraw/zinc/42/09/47/1078420947.db2.gz POELYCIQDXIFLZ-NRFANRHFSA-N 1 0 406.527 2.680 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000794346862 1078421502 /nfs/dbraw/zinc/42/15/02/1078421502.db2.gz XIJSYQWMNKSWMH-UHFFFAOYSA-N 1 0 418.538 2.776 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000794383736 1078432676 /nfs/dbraw/zinc/43/26/76/1078432676.db2.gz PMHANTNPYSUJRX-RBUKOAKNSA-N 1 0 405.539 2.547 20 0 HFADRO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C2=O ZINC001129395942 1078437733 /nfs/dbraw/zinc/43/77/33/1078437733.db2.gz WTGIHPGWKIMNTM-FDDCHVKYSA-N 1 0 418.582 2.744 20 0 HFADRO COC(=O)c1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C(F)(F)F ZINC000804398694 1078463030 /nfs/dbraw/zinc/46/30/30/1078463030.db2.gz QOBNQAKUUJOKNQ-UHFFFAOYSA-N 1 0 423.439 2.906 20 0 HFADRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Br)ncc1Br ZINC001129434290 1078463282 /nfs/dbraw/zinc/46/32/82/1078463282.db2.gz KGYAMAATFREIHR-UHFFFAOYSA-N 1 0 417.105 2.617 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)N[C@H]2CCc3c2cccc3O)CC[N@H+](Cc2ccccc2)C1 ZINC000804399812 1078463809 /nfs/dbraw/zinc/46/38/09/1078463809.db2.gz GUTJRURNDNXWLX-RDPSFJRHSA-N 1 0 407.514 2.524 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)[NH+]2CCCC2)cc1 ZINC000747188316 1078468560 /nfs/dbraw/zinc/46/85/60/1078468560.db2.gz HDZRBDKOILERIW-RXVVDRJESA-N 1 0 419.529 2.587 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000804461114 1078501805 /nfs/dbraw/zinc/50/18/05/1078501805.db2.gz ZWCNRYRBHZKCHI-LPNJYYIDSA-N 1 0 417.525 2.918 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)CC1 ZINC001129808546 1078506561 /nfs/dbraw/zinc/50/65/61/1078506561.db2.gz YVIIRFNKSPRPJQ-UHFFFAOYSA-N 1 0 420.561 2.875 20 0 HFADRO O=C1[C@@H]([N@@H+]2CCC[C@@H](N3CCOCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC001170451834 1078506632 /nfs/dbraw/zinc/50/66/32/1078506632.db2.gz OEXURPKDEHBKMW-MJGOQNOKSA-N 1 0 409.477 2.580 20 0 HFADRO COCCCN(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC001129487731 1078507974 /nfs/dbraw/zinc/50/79/74/1078507974.db2.gz KMKCXKJAXFJBAZ-BGYRXZFFSA-N 1 0 417.550 2.651 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccnc(-c2ccccn2)n1 ZINC001129811956 1078510085 /nfs/dbraw/zinc/51/00/85/1078510085.db2.gz BRBTWJDXPVHTKN-DENIHFKCSA-N 1 0 417.513 2.806 20 0 HFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3c(C)nc(C(C)C)[nH]c3=O)cc2)CC1 ZINC000747207885 1078512688 /nfs/dbraw/zinc/51/26/88/1078512688.db2.gz QLPWPYCZZIRCGX-UHFFFAOYSA-N 1 0 411.550 2.682 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804449602 1078517705 /nfs/dbraw/zinc/51/77/05/1078517705.db2.gz ZHMXCVLQJOIINL-FQEVSTJZSA-N 1 0 414.500 2.901 20 0 HFADRO COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001129801890 1078525869 /nfs/dbraw/zinc/52/58/69/1078525869.db2.gz SHJNLTNZGRRIQA-NJNPRVFISA-N 1 0 412.534 2.900 20 0 HFADRO CCSc1cc(Cl)ccc1C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001129851153 1078533411 /nfs/dbraw/zinc/53/34/11/1078533411.db2.gz NDCWOJGWOMJDBH-UHFFFAOYSA-N 1 0 411.999 2.978 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)c1ccccc1 ZINC000804696138 1078537691 /nfs/dbraw/zinc/53/76/91/1078537691.db2.gz GUXMYQYPYWDLIC-HOYKHHGWSA-N 1 0 411.546 2.646 20 0 HFADRO CC(C)C[C@H](NC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(=O)NCC[NH+](C)C ZINC000804506443 1078540647 /nfs/dbraw/zinc/54/06/47/1078540647.db2.gz IWOQMYMNSYSIHZ-HNNXBMFYSA-N 1 0 409.399 2.806 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccn2c(I)cnc12 ZINC000804524420 1078563015 /nfs/dbraw/zinc/56/30/15/1078563015.db2.gz BEIKHZOOVURTRO-QWHCGFSZSA-N 1 0 424.286 2.638 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc2ncc(I)n2c1 ZINC000804526698 1078565790 /nfs/dbraw/zinc/56/57/90/1078565790.db2.gz SNYFMEWYIGMFBB-GXTWGEPZSA-N 1 0 424.286 2.638 20 0 HFADRO COCCCN(C(=O)c1nc(C(C)C)ncc1Br)C1CC[NH+](C)CC1 ZINC001129599650 1078573788 /nfs/dbraw/zinc/57/37/88/1078573788.db2.gz HPKSJIBLNURAQY-UHFFFAOYSA-N 1 0 413.360 2.935 20 0 HFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001129905185 1078577124 /nfs/dbraw/zinc/57/71/24/1078577124.db2.gz JWBIBPHZJAHGRK-GOSISDBHSA-N 1 0 422.367 2.854 20 0 HFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001129905655 1078577617 /nfs/dbraw/zinc/57/76/17/1078577617.db2.gz NZKRIJHVKOPXBG-FQEVSTJZSA-N 1 0 421.607 2.737 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000804775590 1078600929 /nfs/dbraw/zinc/60/09/29/1078600929.db2.gz JTIWHTLJQHTKOG-CVEARBPZSA-N 1 0 405.543 2.738 20 0 HFADRO O=C(N1CCC[C@H](n2ccnn2)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001129933252 1078598546 /nfs/dbraw/zinc/59/85/46/1078598546.db2.gz QZLJJUZQCZGYOH-PKOBYXMFSA-N 1 0 407.440 2.896 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000804775592 1078600742 /nfs/dbraw/zinc/60/07/42/1078600742.db2.gz JTIWHTLJQHTKOG-HOTGVXAUSA-N 1 0 405.543 2.738 20 0 HFADRO CC[N@H+](CCC1CCN(c2ccc(C(C)=O)cc2S(N)(=O)=O)CC1)CC1CC1 ZINC000804591095 1078625943 /nfs/dbraw/zinc/62/59/43/1078625943.db2.gz VSMYGTJIIMDZHP-UHFFFAOYSA-N 1 0 407.580 2.875 20 0 HFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)sc2C1 ZINC001129950066 1078625530 /nfs/dbraw/zinc/62/55/30/1078625530.db2.gz CJSPYNOXDXQHIC-OKILXGFUSA-N 1 0 418.563 2.804 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC001129964184 1078638043 /nfs/dbraw/zinc/63/80/43/1078638043.db2.gz AMECWZRPHSQZOS-UHFFFAOYSA-N 1 0 409.596 2.640 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC001129647100 1078635791 /nfs/dbraw/zinc/63/57/91/1078635791.db2.gz LPIILUZDJRWYSH-ICSRJNTNSA-N 1 0 400.523 2.791 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC001129680326 1078644940 /nfs/dbraw/zinc/64/49/40/1078644940.db2.gz WIMVQRUSVUTODT-INIZCTEOSA-N 1 0 411.344 2.902 20 0 HFADRO Cc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)[NH+]2CCCC2)cc1 ZINC000747216897 1078659783 /nfs/dbraw/zinc/65/97/83/1078659783.db2.gz CIDCYMMTQQQPFX-IBGZPJMESA-N 1 0 421.950 2.863 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000804832718 1078672341 /nfs/dbraw/zinc/67/23/41/1078672341.db2.gz VTNNZWCVJIWASD-NQIIRXRSSA-N 1 0 408.546 2.538 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2c(C)onc2-c2ccc(F)cc2)CC1 ZINC000804626695 1078680055 /nfs/dbraw/zinc/68/00/55/1078680055.db2.gz MQZJDMUSKRHTMZ-UHFFFAOYSA-N 1 0 419.497 2.989 20 0 HFADRO O=C(Nn1cnc2ccccc21)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804869335 1078692998 /nfs/dbraw/zinc/69/29/98/1078692998.db2.gz NJPBVUPRSXCZDK-HXUWFJFHSA-N 1 0 404.518 2.592 20 0 HFADRO CC(C)[NH2+]C1(CO)CCN(CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC001170469342 1078705572 /nfs/dbraw/zinc/70/55/72/1078705572.db2.gz OBFVLWJRZWJVBB-UHFFFAOYSA-N 1 0 403.596 2.520 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC001129742650 1078714905 /nfs/dbraw/zinc/71/49/05/1078714905.db2.gz NJLSUUUPKJWOOE-FGZHOGPDSA-N 1 0 409.505 2.943 20 0 HFADRO CC[C@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)c1nc(C)cs1 ZINC000804886550 1078715376 /nfs/dbraw/zinc/71/53/76/1078715376.db2.gz OTYPFEZCLFALNK-SFHVURJKSA-N 1 0 402.564 2.652 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000804906069 1078729530 /nfs/dbraw/zinc/72/95/30/1078729530.db2.gz DMSRXYSUIFYOCB-LJQANCHMSA-N 1 0 413.440 2.919 20 0 HFADRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000804901476 1078756569 /nfs/dbraw/zinc/75/65/69/1078756569.db2.gz HHJDFUAPPWSKBE-NSHGMRRFSA-N 1 0 424.586 2.719 20 0 HFADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)C[C@@H](C)O1 ZINC000804901477 1078756697 /nfs/dbraw/zinc/75/66/97/1078756697.db2.gz HHJDFUAPPWSKBE-QWFCFKBJSA-N 1 0 424.586 2.719 20 0 HFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)CC1 ZINC000804943836 1078770079 /nfs/dbraw/zinc/77/00/79/1078770079.db2.gz JDPLDLARLUQEIZ-PGRDOPGGSA-N 1 0 421.541 2.838 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000804949606 1078778116 /nfs/dbraw/zinc/77/81/16/1078778116.db2.gz UOVOTPOYSAHFOH-DEOSSOPVSA-N 1 0 424.589 2.919 20 0 HFADRO Cc1nc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c(Br)n1C ZINC000804963398 1078801612 /nfs/dbraw/zinc/80/16/12/1078801612.db2.gz UTMKUXWLSXRZDE-OBJOEFQTSA-N 1 0 419.389 2.517 20 0 HFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804975311 1078811512 /nfs/dbraw/zinc/81/15/12/1078811512.db2.gz JQXBGXVIJUGHFW-VGWMRTNUSA-N 1 0 420.520 2.984 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000804976616 1078811797 /nfs/dbraw/zinc/81/17/97/1078811797.db2.gz HTTQBLKDZAZAGE-OGWOLHLISA-N 1 0 413.440 2.959 20 0 HFADRO Cc1nc(S(=O)(=O)NCC2CC[NH+](CCC(C)C)CC2)c(Br)n1C ZINC000805029920 1078842024 /nfs/dbraw/zinc/84/20/24/1078842024.db2.gz XRUSNGOKFHURRL-UHFFFAOYSA-N 1 0 421.405 2.527 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000805044807 1078860102 /nfs/dbraw/zinc/86/01/02/1078860102.db2.gz FZIACYDOLHDQTL-KBXCAEBGSA-N 1 0 417.428 2.862 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000805070266 1078879522 /nfs/dbraw/zinc/87/95/22/1078879522.db2.gz IPPVKOQWLWFCCE-QAPCUYQASA-N 1 0 401.429 2.735 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000805119038 1078902366 /nfs/dbraw/zinc/90/23/66/1078902366.db2.gz HFJPTVCRRBZNRD-LPHOPBHVSA-N 1 0 413.440 2.788 20 0 HFADRO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1nc2ccccc2s1 ZINC000805119261 1078903189 /nfs/dbraw/zinc/90/31/89/1078903189.db2.gz BWQYOFZICBEZAE-WZYMTQMTSA-N 1 0 415.563 2.740 20 0 HFADRO O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000805136546 1078934154 /nfs/dbraw/zinc/93/41/54/1078934154.db2.gz GHRVAAWVSDTULX-QGZVFWFLSA-N 1 0 415.456 2.683 20 0 HFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137839 1078934394 /nfs/dbraw/zinc/93/43/94/1078934394.db2.gz JYFBDOSMBSWOSY-GCJKJVERSA-N 1 0 424.586 2.530 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000747231060 1078944707 /nfs/dbraw/zinc/94/47/07/1078944707.db2.gz DXXSMHIEONZCBX-TZIWHRDSSA-N 1 0 406.486 2.506 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(c3cccc(F)c3)CC2)CC1 ZINC000805157920 1078950707 /nfs/dbraw/zinc/95/07/07/1078950707.db2.gz XBNUJDGGMGBTBE-UHFFFAOYSA-N 1 0 419.541 2.537 20 0 HFADRO CCC(CC)(CNC(=O)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)SC ZINC000805158471 1078951108 /nfs/dbraw/zinc/95/11/08/1078951108.db2.gz QVTJBWPOAUNFLT-UHFFFAOYSA-N 1 0 413.628 2.564 20 0 HFADRO CS[C@@H]1CC[C@H](NC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000805159309 1078951345 /nfs/dbraw/zinc/95/13/45/1078951345.db2.gz LKGXTUDPZLPXRH-PWRODBHTSA-N 1 0 402.608 2.872 20 0 HFADRO COc1cc(Cl)ccc1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000805169924 1078956997 /nfs/dbraw/zinc/95/69/97/1078956997.db2.gz VJYFCZPLDVTVEP-UHFFFAOYSA-N 1 0 407.942 2.878 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000805179812 1078964214 /nfs/dbraw/zinc/96/42/14/1078964214.db2.gz RVOCSZJEIVFSRA-DHIUTWEWSA-N 1 0 410.562 2.570 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCCCc2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000805231205 1078974489 /nfs/dbraw/zinc/97/44/89/1078974489.db2.gz HBUFIMQRNGKIBG-DEOSSOPVSA-N 1 0 411.521 2.903 20 0 HFADRO COC(=O)c1cnc([C@H](C)NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)s1 ZINC001130117225 1078987101 /nfs/dbraw/zinc/98/71/01/1078987101.db2.gz DEUPGOHULMFAHA-RNVIBTMRSA-N 1 0 403.504 2.761 20 0 HFADRO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000747236376 1078993731 /nfs/dbraw/zinc/99/37/31/1078993731.db2.gz LYWXUHFXRYPOAI-SJORKVTESA-N 1 0 408.424 2.793 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805275026 1079004549 /nfs/dbraw/zinc/00/45/49/1079004549.db2.gz XMXTYDWIQCKRJB-YLJYHZDGSA-N 1 0 402.539 2.675 20 0 HFADRO CCOC(=O)N1CCC([C@@H](C)NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000805314633 1079015732 /nfs/dbraw/zinc/01/57/32/1079015732.db2.gz OHPWHAXPSNPFAI-QGZVFWFLSA-N 1 0 408.543 3.000 20 0 HFADRO CCOC(=O)N1CCC(C(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)CC1 ZINC000805312967 1079032944 /nfs/dbraw/zinc/03/29/44/1079032944.db2.gz ZBHDXKIMIYCOPK-UHFFFAOYSA-N 1 0 404.511 2.774 20 0 HFADRO C[C@H]1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805394505 1079037853 /nfs/dbraw/zinc/03/78/53/1079037853.db2.gz QMPJGOMZBGNRRX-AJNGGQMLSA-N 1 0 406.493 2.594 20 0 HFADRO Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC000805396716 1079038676 /nfs/dbraw/zinc/03/86/76/1079038676.db2.gz JQIMOPCSINIHLV-OAQYLSRUSA-N 1 0 406.530 2.875 20 0 HFADRO COC(=O)C[C@H](C)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001130168665 1079049645 /nfs/dbraw/zinc/04/96/45/1079049645.db2.gz GUVXTWWOZHQANH-CYBMUJFWSA-N 1 0 414.344 2.975 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)c1 ZINC000747252399 1079136115 /nfs/dbraw/zinc/13/61/15/1079136115.db2.gz DLVSVQBAMRMWFO-JLHYYAGUSA-N 1 0 402.516 2.803 20 0 HFADRO C[C@H](NS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1)c1ccccc1 ZINC001130259741 1079148985 /nfs/dbraw/zinc/14/89/85/1079148985.db2.gz LBNHVWRTBYQQIV-ABSDTBQOSA-N 1 0 415.559 2.796 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000805601384 1079173430 /nfs/dbraw/zinc/17/34/30/1079173430.db2.gz KAWUHQOWKWXNTL-RHSMWYFYSA-N 1 0 419.497 2.566 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)cc1Cl ZINC000747261451 1079199380 /nfs/dbraw/zinc/19/93/80/1079199380.db2.gz FWTWGNWHNGLEPP-LLVKDONJSA-N 1 0 407.319 2.639 20 0 HFADRO C[NH+]1CCN(C[C@H](NS(=O)(=O)/C=C/c2ccc(F)cc2)c2ccccc2)CC1 ZINC000747262874 1079201696 /nfs/dbraw/zinc/20/16/96/1079201696.db2.gz JRQLRJZDNXWJPE-HZBHDWBUSA-N 1 0 403.523 2.705 20 0 HFADRO C[C@H](CO)[N@H+](CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C1CCCC1 ZINC000805752150 1079231104 /nfs/dbraw/zinc/23/11/04/1079231104.db2.gz ZLQKBIVYCNJBMA-QGZVFWFLSA-N 1 0 413.518 2.798 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000805794995 1079259605 /nfs/dbraw/zinc/25/96/05/1079259605.db2.gz DIGVQWLAPFOBNG-NRFANRHFSA-N 1 0 420.554 2.574 20 0 HFADRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795036 1079260424 /nfs/dbraw/zinc/26/04/24/1079260424.db2.gz DXPHLGAVOWANNU-KKSFZXQISA-N 1 0 410.559 2.580 20 0 HFADRO CSc1nc(C)c(CCC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC001130393499 1079273877 /nfs/dbraw/zinc/27/38/77/1079273877.db2.gz PPKDTYSGPCAIJC-OAQYLSRUSA-N 1 0 400.548 2.926 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000805765446 1079266019 /nfs/dbraw/zinc/26/60/19/1079266019.db2.gz LSDWBXUPUQIQDO-INIZCTEOSA-N 1 0 408.543 2.620 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)C[N@H+](C)[C@H](C)[C@H]3C)CC2)cc1C ZINC001130369980 1079268707 /nfs/dbraw/zinc/26/87/07/1079268707.db2.gz LOMRWUQUIMROML-GUDVDZBRSA-N 1 0 421.607 2.644 20 0 HFADRO COC[C@@]1(C)CC[N@H+](C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001170488898 1079274800 /nfs/dbraw/zinc/27/48/00/1079274800.db2.gz BJNSJFXPHFWOKB-MJGOQNOKSA-N 1 0 400.441 2.525 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)CC(F)(F)Br)cc2)CC1 ZINC000805838140 1079277244 /nfs/dbraw/zinc/27/72/44/1079277244.db2.gz LTQOFOOJZNPGNU-UHFFFAOYSA-N 1 0 419.314 2.687 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)ccc1F ZINC000747270588 1079277665 /nfs/dbraw/zinc/27/76/65/1079277665.db2.gz LXHFNVLKSPBSPE-JKSUJKDBSA-N 1 0 412.527 2.887 20 0 HFADRO COCc1nc2sc(C(=O)OC[C@H]3C[N@H+](CC(C)C)CCO3)c(C)c2c(OC)n1 ZINC000805820088 1079292556 /nfs/dbraw/zinc/29/25/56/1079292556.db2.gz DOPLYXYSKLEDOA-CQSZACIVSA-N 1 0 423.535 2.668 20 0 HFADRO CC[C@@H]1CC([NH+]2CCC3(CC2)CNC(=O)CO3)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170489612 1079293830 /nfs/dbraw/zinc/29/38/30/1079293830.db2.gz CKZJERYHBFEJBK-IAGOWNOFSA-N 1 0 409.571 2.924 20 0 HFADRO CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000805827502 1079297710 /nfs/dbraw/zinc/29/77/10/1079297710.db2.gz KXFXCTVMFBGVOV-HUUCEWRRSA-N 1 0 419.291 2.538 20 0 HFADRO O=C(C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001170490779 1079300992 /nfs/dbraw/zinc/30/09/92/1079300992.db2.gz OPDONPIQHAFNTN-KXBFYZLASA-N 1 0 423.439 2.611 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000805858805 1079305300 /nfs/dbraw/zinc/30/53/00/1079305300.db2.gz HRSRGVWQZXMAJA-XMSQKQJNSA-N 1 0 424.586 2.672 20 0 HFADRO COc1ccc(CNC(=O)CC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC001170490078 1079310580 /nfs/dbraw/zinc/31/05/80/1079310580.db2.gz KKWKQGFVKIRCDF-UXHICEINSA-N 1 0 402.535 2.991 20 0 HFADRO C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170490495 1079317312 /nfs/dbraw/zinc/31/73/12/1079317312.db2.gz MWXWOIWDYFCEDS-DOTOQJQBSA-N 1 0 414.331 2.876 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)ccc1F ZINC000747278136 1079342713 /nfs/dbraw/zinc/34/27/13/1079342713.db2.gz NDOZOGANCWSWFY-UHFFFAOYSA-N 1 0 406.479 2.903 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000805940796 1079343670 /nfs/dbraw/zinc/34/36/70/1079343670.db2.gz CNABHOLNDKYTDC-WMZHIEFXSA-N 1 0 423.557 2.595 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000805940945 1079344329 /nfs/dbraw/zinc/34/43/29/1079344329.db2.gz IMWXCSGCUYAYHO-NRFANRHFSA-N 1 0 422.573 2.670 20 0 HFADRO CCC(CC)(CNC(=O)C(=O)NC[C@H]1CSCCS1)[NH2+][C@H](C)c1ccccc1 ZINC000805945782 1079346434 /nfs/dbraw/zinc/34/64/34/1079346434.db2.gz IASRDPYOLDKXAM-AEFFLSMTSA-N 1 0 423.648 2.977 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)cc1Cl ZINC000747280178 1079352289 /nfs/dbraw/zinc/35/22/89/1079352289.db2.gz PFLADOOIRQBHQW-MNOVXSKESA-N 1 0 407.319 2.637 20 0 HFADRO C[C@@H](OCC(=O)OC[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1)c1nccn1C ZINC000805923761 1079353434 /nfs/dbraw/zinc/35/34/34/1079353434.db2.gz PRFNAIFXYHMPGS-IEBWSBKVSA-N 1 0 401.507 2.721 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2)CC1 ZINC001170494199 1079364371 /nfs/dbraw/zinc/36/43/71/1079364371.db2.gz WPAUDZCGZGIAMR-NUWOQIAWSA-N 1 0 408.502 2.778 20 0 HFADRO COCCn1cc(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)ccc1=O ZINC001130459006 1079382995 /nfs/dbraw/zinc/38/29/95/1079382995.db2.gz YIVYLVDAPJSMDK-UHFFFAOYSA-N 1 0 401.532 2.935 20 0 HFADRO Cn1cnc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1Cl ZINC000747291870 1079390744 /nfs/dbraw/zinc/39/07/44/1079390744.db2.gz WXVLWXLKESDIRE-LJQANCHMSA-N 1 0 408.955 2.750 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000747291555 1079390971 /nfs/dbraw/zinc/39/09/71/1079390971.db2.gz RKLJZIFOJLWVNW-XFXZXTDPSA-N 1 0 406.548 2.948 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC001130518917 1079450292 /nfs/dbraw/zinc/45/02/92/1079450292.db2.gz QUXKGSZDGKDRNA-OKZBNKHCSA-N 1 0 409.571 2.830 20 0 HFADRO COC(=O)c1noc2ccc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)cc21 ZINC001170499013 1079452857 /nfs/dbraw/zinc/45/28/57/1079452857.db2.gz CBWGXTXXJRZTTP-QQFBHYJXSA-N 1 0 422.485 2.986 20 0 HFADRO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000806174157 1079463344 /nfs/dbraw/zinc/46/33/44/1079463344.db2.gz RWFULIMOEJQOGP-HOCLYGCPSA-N 1 0 411.568 2.890 20 0 HFADRO CCOC(=O)CC(C)(C)CC(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130529664 1079465827 /nfs/dbraw/zinc/46/58/27/1079465827.db2.gz XIVSETQPSDXLFR-UXHICEINSA-N 1 0 402.535 2.858 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@H]3COC(=O)N(C)C)cc2)CC1 ZINC000806152398 1079468886 /nfs/dbraw/zinc/46/88/86/1079468886.db2.gz AUSXQLRHQOLODI-FQEVSTJZSA-N 1 0 417.554 2.913 20 0 HFADRO CC(C)n1cc([C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000806158346 1079471707 /nfs/dbraw/zinc/47/17/07/1079471707.db2.gz XYDDOUMKQZAFBM-WZONZLPQSA-N 1 0 411.550 2.670 20 0 HFADRO CC(C)[C@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000806163873 1079473821 /nfs/dbraw/zinc/47/38/21/1079473821.db2.gz WIUDZXPTAJXLNK-KXBFYZLASA-N 1 0 402.930 2.533 20 0 HFADRO Cc1cc(C(N)=O)ccc1NC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000806201197 1079489457 /nfs/dbraw/zinc/48/94/57/1079489457.db2.gz BXNDDLRIANIPKC-OAQYLSRUSA-N 1 0 421.545 2.518 20 0 HFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000787332494 1076745384 /nfs/dbraw/zinc/74/53/84/1076745384.db2.gz LNDJXQIMLBDQKC-ZIFCJYIRSA-N 1 0 424.586 2.527 20 0 HFADRO C[C@H]1CN(C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000787315101 1076759291 /nfs/dbraw/zinc/75/92/91/1076759291.db2.gz VHJXZWUUKMOIKI-INIZCTEOSA-N 1 0 405.539 2.629 20 0 HFADRO C[N@H+](CCNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1CCCC1 ZINC000787322589 1076765801 /nfs/dbraw/zinc/76/58/01/1076765801.db2.gz HMTUVRGWAHINSI-HNNXBMFYSA-N 1 0 405.543 2.738 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000787323193 1076767032 /nfs/dbraw/zinc/76/70/32/1076767032.db2.gz ARYNJTNROFFFOW-LMMKCTJWSA-N 1 0 424.586 2.527 20 0 HFADRO C[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H]1c1cccc(F)c1 ZINC000746679596 1076774902 /nfs/dbraw/zinc/77/49/02/1076774902.db2.gz PXEGWWTUQYOUSU-HNAYVOBHSA-N 1 0 416.497 2.885 20 0 HFADRO C[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@@H]1c1cccc(F)c1 ZINC000746679597 1076775116 /nfs/dbraw/zinc/77/51/16/1076775116.db2.gz PXEGWWTUQYOUSU-KXBFYZLASA-N 1 0 416.497 2.885 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 ZINC000787392208 1076806179 /nfs/dbraw/zinc/80/61/79/1076806179.db2.gz OIAZSCJZUJFIDV-UHFFFAOYSA-N 1 0 423.583 2.743 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787407403 1076810053 /nfs/dbraw/zinc/81/00/53/1076810053.db2.gz ANWGMLIWUWEAAO-HRCADAONSA-N 1 0 405.543 2.737 20 0 HFADRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)c1 ZINC000787408797 1076810364 /nfs/dbraw/zinc/81/03/64/1076810364.db2.gz IFYJIWIHNAMRST-OAHLLOKOSA-N 1 0 414.510 2.843 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)CC[C@@H]21 ZINC000787447612 1076814724 /nfs/dbraw/zinc/81/47/24/1076814724.db2.gz WPCPJAITYDXUPB-FCEWJHQRSA-N 1 0 417.554 2.690 20 0 HFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCCCCCC2)cc1OC ZINC000787492794 1076824914 /nfs/dbraw/zinc/82/49/14/1076824914.db2.gz ZBUZWGIVIJNBOB-UHFFFAOYSA-N 1 0 419.566 2.825 20 0 HFADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)Nc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000787532509 1076850908 /nfs/dbraw/zinc/85/09/08/1076850908.db2.gz ZJQYXYZHSCJCEF-UHFFFAOYSA-N 1 0 412.578 2.910 20 0 HFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787563661 1076866023 /nfs/dbraw/zinc/86/60/23/1076866023.db2.gz QVDHIBYFKNLEKP-HNNXBMFYSA-N 1 0 405.543 2.690 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCCCCCC4)c(F)c3)C[C@H]2C1 ZINC000787598276 1076886857 /nfs/dbraw/zinc/88/68/57/1076886857.db2.gz LDNXGXFHEYGFIB-CALCHBBNSA-N 1 0 402.514 2.555 20 0 HFADRO C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674493 1076890040 /nfs/dbraw/zinc/89/00/40/1076890040.db2.gz HRILGBLJYYYGTJ-ZIAGYGMSSA-N 1 0 401.429 2.611 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1)CCC2 ZINC000787668472 1076904889 /nfs/dbraw/zinc/90/48/89/1076904889.db2.gz FEHZMGKTWACJLB-LJQANCHMSA-N 1 0 403.571 2.728 20 0 HFADRO Cc1cc2nc(N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c3ccccc3n2n1 ZINC000746703442 1076906591 /nfs/dbraw/zinc/90/65/91/1076906591.db2.gz HAVLWDXSOBZUHI-INIZCTEOSA-N 1 0 410.522 2.836 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(Br)ncc1Cl ZINC000787686000 1076911164 /nfs/dbraw/zinc/91/11/64/1076911164.db2.gz SJXJSXDPOSXPAT-LLVKDONJSA-N 1 0 402.720 2.823 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000787761550 1076929634 /nfs/dbraw/zinc/92/96/34/1076929634.db2.gz KTIBMXVYSYZCGM-IACUBPJLSA-N 1 0 406.449 2.847 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+]CCCNC(=O)c2cccs2)C2CC2)C1 ZINC000787762601 1076930470 /nfs/dbraw/zinc/93/04/70/1076930470.db2.gz LTCHOUBQSRFHJH-WMZOPIPTSA-N 1 0 423.579 2.872 20 0 HFADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000787768547 1076941663 /nfs/dbraw/zinc/94/16/63/1076941663.db2.gz ZGXZOWXYZADSNC-CWFSZBLJSA-N 1 0 421.538 2.932 20 0 HFADRO Cc1cn(-c2c(F)cccc2F)nc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000787836552 1076958035 /nfs/dbraw/zinc/95/80/35/1076958035.db2.gz YFAQCPSFVOSFTG-UHFFFAOYSA-N 1 0 420.460 2.605 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cc(C)cnc1Cl)[NH+]1CCCC1 ZINC000787871725 1076969482 /nfs/dbraw/zinc/96/94/82/1076969482.db2.gz IFTJUGFGUSLNSK-KRWDZBQOSA-N 1 0 416.909 2.944 20 0 HFADRO CC(C)Oc1ccc(CC[C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000787877340 1076972193 /nfs/dbraw/zinc/97/21/93/1076972193.db2.gz XANKQBAGVRCHAD-OALUTQOASA-N 1 0 403.567 2.902 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000787878195 1076973246 /nfs/dbraw/zinc/97/32/46/1076973246.db2.gz SNBPTRAALBORIU-UHFFFAOYSA-N 1 0 400.910 2.935 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cc1 ZINC000787884320 1076976934 /nfs/dbraw/zinc/97/69/34/1076976934.db2.gz URGAYXRNZPNOKC-QRWLVFNGSA-N 1 0 401.482 2.844 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](O)c2cccc(F)c2)cc1 ZINC000787890578 1076979560 /nfs/dbraw/zinc/97/95/60/1076979560.db2.gz PVIRMBSNIHDUKE-FOIQADDNSA-N 1 0 401.482 2.844 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCC(C)CC3)CC2)cc1C ZINC000787893079 1076981101 /nfs/dbraw/zinc/98/11/01/1076981101.db2.gz BTGODAUTGZIFEO-UHFFFAOYSA-N 1 0 414.594 2.580 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000746708845 1076983309 /nfs/dbraw/zinc/98/33/09/1076983309.db2.gz CDAQQINWZDYLCP-HNNXBMFYSA-N 1 0 423.608 2.645 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000787911245 1076992085 /nfs/dbraw/zinc/99/20/85/1076992085.db2.gz NMDJFGAUIBIBMB-QINHECLXSA-N 1 0 405.970 2.798 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1 ZINC000787911737 1076992711 /nfs/dbraw/zinc/99/27/11/1076992711.db2.gz QEAXDQQNNWPAKI-GUDVDZBRSA-N 1 0 421.607 2.791 20 0 HFADRO O=C(Nc1ccc(N2CCCCCCC2)c(F)c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000787919292 1076996366 /nfs/dbraw/zinc/99/63/66/1076996366.db2.gz DIIGWRSUHGONDW-UHFFFAOYSA-N 1 0 402.514 2.841 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000787919178 1076996654 /nfs/dbraw/zinc/99/66/54/1076996654.db2.gz BHLXHECJQISWRQ-UHFFFAOYSA-N 1 0 418.538 2.723 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000787920036 1076997233 /nfs/dbraw/zinc/99/72/33/1076997233.db2.gz QCPZTVFXVYOECU-UHFFFAOYSA-N 1 0 412.987 2.632 20 0 HFADRO COC(=O)c1cnc(N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C(F)(F)F ZINC000787900118 1077004202 /nfs/dbraw/zinc/00/42/02/1077004202.db2.gz XZMUOXSSYUAIDM-HZSPNIEDSA-N 1 0 401.429 2.965 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000787967616 1077011499 /nfs/dbraw/zinc/01/14/99/1077011499.db2.gz FAMUCZVEDRBWLB-CALCHBBNSA-N 1 0 422.545 2.568 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 ZINC000787968154 1077011746 /nfs/dbraw/zinc/01/17/46/1077011746.db2.gz HUJLOMTYGCFWPX-UHFFFAOYSA-N 1 0 406.596 2.677 20 0 HFADRO C[C@@H]1CCCC[C@H]1OCCNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787993798 1077022030 /nfs/dbraw/zinc/02/20/30/1077022030.db2.gz XVMWAYUZAZXOSX-ZILOHOTNSA-N 1 0 415.578 2.726 20 0 HFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000787995972 1077023052 /nfs/dbraw/zinc/02/30/52/1077023052.db2.gz PFIGDOWCBGOJKB-IEBWSBKVSA-N 1 0 408.502 2.690 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)C1 ZINC000746726755 1077052726 /nfs/dbraw/zinc/05/27/26/1077052726.db2.gz VFWZNOYEDXXJMP-NQIIRXRSSA-N 1 0 404.555 2.876 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)C1 ZINC000746726757 1077052916 /nfs/dbraw/zinc/05/29/16/1077052916.db2.gz VFWZNOYEDXXJMP-WIYYLYMNSA-N 1 0 404.555 2.876 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc(N3CCOC3=O)ccc2C)C1 ZINC000746728684 1077069236 /nfs/dbraw/zinc/06/92/36/1077069236.db2.gz IWRISNUTSIGRKZ-SFHVURJKSA-N 1 0 404.511 2.916 20 0 HFADRO COc1cc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cnc1Br ZINC000788170544 1077073996 /nfs/dbraw/zinc/07/39/96/1077073996.db2.gz RNVLFCZQACSYBM-UHFFFAOYSA-N 1 0 408.296 2.723 20 0 HFADRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000788257888 1077088017 /nfs/dbraw/zinc/08/80/17/1077088017.db2.gz OSFXADJKFQJPQD-WDSOQIARSA-N 1 0 404.555 2.904 20 0 HFADRO C[C@@H](NC(=O)c1cc(Br)n[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000788295931 1077090477 /nfs/dbraw/zinc/09/04/77/1077090477.db2.gz JVBHPIWQJGQMON-LLVKDONJSA-N 1 0 410.291 2.554 20 0 HFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(Br)n[nH]2)CC1 ZINC000788295282 1077090780 /nfs/dbraw/zinc/09/07/80/1077090780.db2.gz COJBMLBZGPGOQV-LBPRGKRZSA-N 1 0 424.318 2.944 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1cnn(C)c1 ZINC000788305877 1077092795 /nfs/dbraw/zinc/09/27/95/1077092795.db2.gz FLXMJIGTSMLUPK-VJFUWPCTSA-N 1 0 407.559 2.565 20 0 HFADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788305246 1077092976 /nfs/dbraw/zinc/09/29/76/1077092976.db2.gz ONZXRRPLLKEDAP-QMMLZNLJSA-N 1 0 424.545 2.672 20 0 HFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C ZINC000788280809 1077096711 /nfs/dbraw/zinc/09/67/11/1077096711.db2.gz JFQVJUBDXGEBGT-QGZVFWFLSA-N 1 0 412.538 2.600 20 0 HFADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc(Br)n[nH]3)cc2)C[C@H](C)O1 ZINC000788282571 1077097453 /nfs/dbraw/zinc/09/74/53/1077097453.db2.gz ZNISFZRSIYDHFG-STQMWFEESA-N 1 0 407.312 2.711 20 0 HFADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)NOC[C@H]2CCOC2)cc1 ZINC000788287564 1077098314 /nfs/dbraw/zinc/09/83/14/1077098314.db2.gz UXCSKDFOEUDWNG-KRWDZBQOSA-N 1 0 404.511 2.981 20 0 HFADRO COc1ccc(C[NH+]2CCC(CNC(=O)C3=C(C)N(C)c4ncnn4[C@H]3C)CC2)cc1 ZINC000788294087 1077100315 /nfs/dbraw/zinc/10/03/15/1077100315.db2.gz SPBXGECSFJZRJZ-KRWDZBQOSA-N 1 0 424.549 2.600 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000788340733 1077109758 /nfs/dbraw/zinc/10/97/58/1077109758.db2.gz JYXIFHAHFFHHMT-UHFFFAOYSA-N 1 0 420.517 2.693 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742949 1077114884 /nfs/dbraw/zinc/11/48/84/1077114884.db2.gz ATJMEXGJWNORGU-GJZGRUSLSA-N 1 0 401.442 2.738 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000746744760 1077125822 /nfs/dbraw/zinc/12/58/22/1077125822.db2.gz WRAMMJDOOKTCMA-QZTJIDSGSA-N 1 0 400.454 2.784 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000788422470 1077141038 /nfs/dbraw/zinc/14/10/38/1077141038.db2.gz WOCRWKPQHOJHED-QGZVFWFLSA-N 1 0 402.438 2.779 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000788428425 1077143469 /nfs/dbraw/zinc/14/34/69/1077143469.db2.gz FGURUHQIJRNTHZ-SZMVWBNQSA-N 1 0 421.538 2.792 20 0 HFADRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788429386 1077143833 /nfs/dbraw/zinc/14/38/33/1077143833.db2.gz JOZVDDONAYECHO-IERDGZPVSA-N 1 0 422.595 2.709 20 0 HFADRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476651 1077172504 /nfs/dbraw/zinc/17/25/04/1077172504.db2.gz SEDSHPBPJOEMHE-OALUTQOASA-N 1 0 410.603 2.556 20 0 HFADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000788483763 1077176188 /nfs/dbraw/zinc/17/61/88/1077176188.db2.gz JZZNSNZGLUUPJJ-ZDUSSCGKSA-N 1 0 413.440 2.753 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)NCCSC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000788504892 1077184760 /nfs/dbraw/zinc/18/47/60/1077184760.db2.gz FMVKAEILTMGNNY-OAHLLOKOSA-N 1 0 403.470 2.617 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000788504618 1077185188 /nfs/dbraw/zinc/18/51/88/1077185188.db2.gz CQYKDKJACCEGIZ-YJBOKZPZSA-N 1 0 411.568 2.502 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000788505825 1077185209 /nfs/dbraw/zinc/18/52/09/1077185209.db2.gz UFZFWRTVEIIPSN-ZCNNSNEGSA-N 1 0 417.550 2.792 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788504436 1077185273 /nfs/dbraw/zinc/18/52/73/1077185273.db2.gz QFPJKMMBOUBJIN-QYZOEREBSA-N 1 0 405.539 2.820 20 0 HFADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=[NH2+])NOCc1ncc(Br)s1 ZINC000788506933 1077185976 /nfs/dbraw/zinc/18/59/76/1077185976.db2.gz ZTTTXFHAQYPLPO-SECBINFHSA-N 1 0 421.317 2.540 20 0 HFADRO C[C@H](O)CCC[NH2+]Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000788523331 1077191132 /nfs/dbraw/zinc/19/11/32/1077191132.db2.gz APRCGPBECJGZPD-LBPRGKRZSA-N 1 0 410.399 2.836 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C ZINC000788545932 1077195921 /nfs/dbraw/zinc/19/59/21/1077195921.db2.gz APSAHUZKEKLHTM-GOSISDBHSA-N 1 0 407.559 2.663 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788564584 1077200539 /nfs/dbraw/zinc/20/05/39/1077200539.db2.gz SRLRRRDEGXLZLO-NXHRZFHOSA-N 1 0 409.452 2.764 20 0 HFADRO O=C(NCCSC(F)(F)F)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000788558990 1077201221 /nfs/dbraw/zinc/20/12/21/1077201221.db2.gz XONHZZSQHZAWCF-UHFFFAOYSA-N 1 0 417.497 2.523 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000788595072 1077216441 /nfs/dbraw/zinc/21/64/41/1077216441.db2.gz RFRLPMKDSZYGFY-DZGCQCFKSA-N 1 0 414.344 2.988 20 0 HFADRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CC(=O)NCC(=O)c3cccs3)C2)s1 ZINC001170086777 1077216763 /nfs/dbraw/zinc/21/67/63/1077216763.db2.gz XDPJVFZDYXQMSJ-MRXNPFEDSA-N 1 0 405.589 2.871 20 0 HFADRO COc1ccc(CCS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000788606412 1077221861 /nfs/dbraw/zinc/22/18/61/1077221861.db2.gz GQRCQSKQVNOVMC-UHFFFAOYSA-N 1 0 412.502 2.910 20 0 HFADRO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000788606827 1077221951 /nfs/dbraw/zinc/22/19/51/1077221951.db2.gz YJXKRZNYIKLLED-UYAOXDASSA-N 1 0 402.535 2.945 20 0 HFADRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 ZINC000788607612 1077222498 /nfs/dbraw/zinc/22/24/98/1077222498.db2.gz WCTCZNWCVQRNKX-OXJNMPFZSA-N 1 0 412.490 2.556 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000788643841 1077222865 /nfs/dbraw/zinc/22/28/65/1077222865.db2.gz BRDIXIPFLQLGDB-NJDAHSKKSA-N 1 0 422.529 2.665 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C[NH+]1CCCCC1 ZINC000788645190 1077223079 /nfs/dbraw/zinc/22/30/79/1077223079.db2.gz NMACRACPZMDNPY-DUXKGJEZSA-N 1 0 424.545 2.817 20 0 HFADRO CC1(C(=O)OCC(=O)NC(=O)c2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000772722054 1077226687 /nfs/dbraw/zinc/22/66/87/1077226687.db2.gz AJAGMBIPAGHEBN-UHFFFAOYSA-N 1 0 400.500 2.850 20 0 HFADRO COc1ccc(CCS(=O)(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000788611437 1077227186 /nfs/dbraw/zinc/22/71/86/1077227186.db2.gz LYRZZRZNQSFWRM-UHFFFAOYSA-N 1 0 417.575 2.601 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000790930706 1077237077 /nfs/dbraw/zinc/23/70/77/1077237077.db2.gz CCZMNPHSAHVLHR-UHFFFAOYSA-N 1 0 401.551 2.884 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000788638164 1077241863 /nfs/dbraw/zinc/24/18/63/1077241863.db2.gz LBTDILSEDJTDBS-OYRHEFFESA-N 1 0 422.529 2.665 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1Cl ZINC000788641534 1077244412 /nfs/dbraw/zinc/24/44/12/1077244412.db2.gz QTIPFGDUDBHQKV-CYBMUJFWSA-N 1 0 420.984 2.849 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788675704 1077246345 /nfs/dbraw/zinc/24/63/45/1077246345.db2.gz HOUPRFGDQXPVSI-QGZVFWFLSA-N 1 0 411.568 2.816 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cnn(C)c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788685410 1077250227 /nfs/dbraw/zinc/25/02/27/1077250227.db2.gz INSCBTKEFFBNEZ-MRXNPFEDSA-N 1 0 408.543 2.787 20 0 HFADRO C[C@@H](OC(=O)c1cccc2c[nH]nc21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000746952087 1077252799 /nfs/dbraw/zinc/25/27/99/1077252799.db2.gz DIEFYNMSVUMFTP-MRXNPFEDSA-N 1 0 406.486 2.889 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)Cn2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788653825 1077253963 /nfs/dbraw/zinc/25/39/63/1077253963.db2.gz ZAAGUYPRXFVRHK-IAGOWNOFSA-N 1 0 408.543 2.830 20 0 HFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000788658151 1077255321 /nfs/dbraw/zinc/25/53/21/1077255321.db2.gz UDMDYIQLQOXMDW-HZPDHXFCSA-N 1 0 411.568 2.767 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(C)c1Cl ZINC000788657667 1077255690 /nfs/dbraw/zinc/25/56/90/1077255690.db2.gz JJBDMDYZEFUAHP-NSHDSACASA-N 1 0 408.973 2.847 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788662389 1077257673 /nfs/dbraw/zinc/25/76/73/1077257673.db2.gz CUKITOQLRIWYAN-NKGKWGDASA-N 1 0 410.486 2.778 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788663819 1077259265 /nfs/dbraw/zinc/25/92/65/1077259265.db2.gz XLRJZTNNAROWDH-HZPDHXFCSA-N 1 0 410.559 2.673 20 0 HFADRO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788668291 1077260807 /nfs/dbraw/zinc/26/08/07/1077260807.db2.gz JGZWGPHLLUNQSB-MRXNPFEDSA-N 1 0 408.907 2.600 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(NN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)c3)CC[C@@H]21 ZINC000788668626 1077261254 /nfs/dbraw/zinc/26/12/54/1077261254.db2.gz QHLBQTJITMAYDC-PBASOCQRSA-N 1 0 422.529 2.521 20 0 HFADRO CCOC(=O)[C@@H]1[C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672881 1077262787 /nfs/dbraw/zinc/26/27/87/1077262787.db2.gz SSKVQOQUFGPOGC-QRVBRYPASA-N 1 0 411.587 2.885 20 0 HFADRO CN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788703170 1077264122 /nfs/dbraw/zinc/26/41/22/1077264122.db2.gz CTDKHHWLGGCJRA-QFIPXVFZSA-N 1 0 424.545 2.570 20 0 HFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788716348 1077269269 /nfs/dbraw/zinc/26/92/69/1077269269.db2.gz VUUYDIKBUVHAGH-FPOVZHCZSA-N 1 0 400.567 2.941 20 0 HFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788751394 1077276405 /nfs/dbraw/zinc/27/64/05/1077276405.db2.gz YBKJHMDOVIMGLU-JTJHWIPRSA-N 1 0 400.567 2.795 20 0 HFADRO C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC000788752609 1077276944 /nfs/dbraw/zinc/27/69/44/1077276944.db2.gz DIXQMGJJNJLBCD-GOSISDBHSA-N 1 0 403.523 2.500 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CN3CCc4ccccc4C3=O)cc2)CC1 ZINC000788757730 1077278576 /nfs/dbraw/zinc/27/85/76/1077278576.db2.gz BZZMEGGIKBRWOG-UHFFFAOYSA-N 1 0 406.530 2.854 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CN3CCc4ccccc4C3=O)cc2F)CC1 ZINC000788745189 1077287685 /nfs/dbraw/zinc/28/76/85/1077287685.db2.gz DFFDLZZZFQOHKM-UHFFFAOYSA-N 1 0 424.520 2.993 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)CCN1C(=O)OC(C)(C)C ZINC000788777221 1077298070 /nfs/dbraw/zinc/29/80/70/1077298070.db2.gz OLATWUDOEANTRP-LNLFQRSKSA-N 1 0 420.554 2.852 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]CC2(C)OCCCO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788780371 1077299292 /nfs/dbraw/zinc/29/92/92/1077299292.db2.gz CWVRJYMFIWNFQW-INIZCTEOSA-N 1 0 414.543 2.698 20 0 HFADRO CCOC1CC(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000788780653 1077299762 /nfs/dbraw/zinc/29/97/62/1077299762.db2.gz CXUNBLQPJJVBFK-MWXLCCTBSA-N 1 0 400.567 2.647 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000746765200 1077301777 /nfs/dbraw/zinc/30/17/77/1077301777.db2.gz GJIDPNLGXHISMD-QZTJIDSGSA-N 1 0 412.575 2.528 20 0 HFADRO C[C@@H]1CN(c2ccccc2F)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000788787860 1077304099 /nfs/dbraw/zinc/30/40/99/1077304099.db2.gz BDMBMBMLFCASRZ-MJGOQNOKSA-N 1 0 404.530 2.689 20 0 HFADRO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000788787821 1077304155 /nfs/dbraw/zinc/30/41/55/1077304155.db2.gz SURQQXDDCFGHNP-UGKGYDQZSA-N 1 0 408.546 2.949 20 0 HFADRO COCCC(=O)N1CCC([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000791135919 1077316311 /nfs/dbraw/zinc/31/63/11/1077316311.db2.gz KZANCTALIWYKHL-GOSISDBHSA-N 1 0 403.523 2.657 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1C(=O)OC(C)(C)C ZINC000791137585 1077317383 /nfs/dbraw/zinc/31/73/83/1077317383.db2.gz RLOYRDXFWPCOHN-HKUYNNGSSA-N 1 0 418.538 2.713 20 0 HFADRO CC(C)C[C@H](C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1)NC(=O)OC(C)(C)C ZINC000788844374 1077317766 /nfs/dbraw/zinc/31/77/66/1077317766.db2.gz XQNGQZOVQCGGSV-LJQANCHMSA-N 1 0 421.586 2.801 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000791191177 1077319761 /nfs/dbraw/zinc/31/97/61/1077319761.db2.gz HWHOAMLXEZUWJC-IBGZPJMESA-N 1 0 408.564 2.813 20 0 HFADRO Cc1c(Cl)c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)sc1S(N)(=O)=O ZINC000791210140 1077345593 /nfs/dbraw/zinc/34/55/93/1077345593.db2.gz VHCMJCRYTVTEBM-SNVBAGLBSA-N 1 0 407.989 2.598 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ncc(C(N)=O)cc3Cl)nc3ccc(C)cc3n12 ZINC001170150985 1077352125 /nfs/dbraw/zinc/35/21/25/1077352125.db2.gz NQWDJECNUSWXRO-UHFFFAOYSA-N 1 0 409.881 2.743 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCc2cccc3ccccc32)CC1 ZINC000746994693 1077352445 /nfs/dbraw/zinc/35/24/45/1077352445.db2.gz GLFPULXMXMXRSR-UHFFFAOYSA-N 1 0 402.498 2.847 20 0 HFADRO COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000788915913 1077353867 /nfs/dbraw/zinc/35/38/67/1077353867.db2.gz MRNOGROOXLBWRO-IFXJQAMLSA-N 1 0 408.495 2.890 20 0 HFADRO CC(C)(C)[S@](=O)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000788962161 1077364211 /nfs/dbraw/zinc/36/42/11/1077364211.db2.gz GUOORNDOTSKKAC-HSZRJFAPSA-N 1 0 403.386 2.923 20 0 HFADRO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)c3ccc(S(N)(=O)=O)cc3)C2=O)c(C)c1 ZINC000788981831 1077373772 /nfs/dbraw/zinc/37/37/72/1077373772.db2.gz NBGJYDSGTRAYGN-LPHOPBHVSA-N 1 0 401.532 2.715 20 0 HFADRO CN(C(=O)Cc1cccnc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000791345862 1077381097 /nfs/dbraw/zinc/38/10/97/1077381097.db2.gz SSVMSNNZXSLVHS-UHFFFAOYSA-N 1 0 417.351 2.947 20 0 HFADRO Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000791310300 1077382612 /nfs/dbraw/zinc/38/26/12/1077382612.db2.gz WPNKHPSYNREKMW-KRWDZBQOSA-N 1 0 410.478 2.502 20 0 HFADRO Cc1c(Cl)c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)sc1S(N)(=O)=O ZINC000791363777 1077394086 /nfs/dbraw/zinc/39/40/86/1077394086.db2.gz MXXVKNLRQJZAIE-UHFFFAOYSA-N 1 0 407.989 2.550 20 0 HFADRO C[C@@H](NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)c1ncnn1C ZINC000789084964 1077400218 /nfs/dbraw/zinc/40/02/18/1077400218.db2.gz CNPZZPRHUNVKAL-MRXNPFEDSA-N 1 0 413.526 2.902 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000747012867 1077409774 /nfs/dbraw/zinc/40/97/74/1077409774.db2.gz DLHAFBVAVAXWJK-FQEVSTJZSA-N 1 0 406.530 2.783 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000747012870 1077409780 /nfs/dbraw/zinc/40/97/80/1077409780.db2.gz DLHAFBVAVAXWJK-HXUWFJFHSA-N 1 0 406.530 2.783 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCc3cccnc3)cc2)CC1 ZINC000746787374 1077424593 /nfs/dbraw/zinc/42/45/93/1077424593.db2.gz BYRZWYLXKMZYSB-UHFFFAOYSA-N 1 0 410.518 2.978 20 0 HFADRO CCOC1CC(CC(=O)OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000789158477 1077437872 /nfs/dbraw/zinc/43/78/72/1077437872.db2.gz FTXVVSXPDMFQHG-UHFFFAOYSA-N 1 0 402.535 2.778 20 0 HFADRO C[C@@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791475961 1077446691 /nfs/dbraw/zinc/44/66/91/1077446691.db2.gz RMHMQCGUMWLZRD-CJNGLKHVSA-N 1 0 419.884 2.997 20 0 HFADRO C[NH+]1CCN(C[C@H](NC(=S)NCCc2ccc(F)cc2)c2ccccc2)CC1 ZINC000789220413 1077448404 /nfs/dbraw/zinc/44/84/04/1077448404.db2.gz NSEYUULFPQEXCF-NRFANRHFSA-N 1 0 400.567 2.821 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NCC3([NH+]4CCSCC4)CCCC3)C2)c1 ZINC000791511524 1077451065 /nfs/dbraw/zinc/45/10/65/1077451065.db2.gz YAPBBQUPUNFSCR-IBGZPJMESA-N 1 0 403.548 2.666 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)C2)c1 ZINC000791524861 1077454743 /nfs/dbraw/zinc/45/47/43/1077454743.db2.gz NYFGCWZJEGDCTF-QFIPXVFZSA-N 1 0 408.502 2.969 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)C2)c1 ZINC000791540549 1077458925 /nfs/dbraw/zinc/45/89/25/1077458925.db2.gz LQWZDNLJEHUXBT-QFIPXVFZSA-N 1 0 408.502 2.574 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3C[C@H]([NH+](C)C)Cc4ccccc43)C2)c1 ZINC000791584052 1077472042 /nfs/dbraw/zinc/47/20/42/1077472042.db2.gz MOCXVQUQKYBDDW-OPAMFIHVSA-N 1 0 409.486 2.716 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@H]3CCC(=O)c4cccn43)CC2)cc1 ZINC000789227831 1077483724 /nfs/dbraw/zinc/48/37/24/1077483724.db2.gz MYCDINIIZLZIEL-OAQYLSRUSA-N 1 0 423.513 2.592 20 0 HFADRO C[C@@H](OC(=O)c1cn(C)nc1-c1ccoc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789262346 1077487564 /nfs/dbraw/zinc/48/75/64/1077487564.db2.gz UMAPVCRMZDMAGM-VQIMIIECSA-N 1 0 422.485 2.616 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCC[N@H+](C)Cc3ccc(F)cc3)C2)c1 ZINC000791624562 1077491712 /nfs/dbraw/zinc/49/17/12/1077491712.db2.gz MZRAYLROQZKREE-NRFANRHFSA-N 1 0 415.465 2.584 20 0 HFADRO C[C@H](OC(=O)C(F)(F)C1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000791605427 1077502612 /nfs/dbraw/zinc/50/26/12/1077502612.db2.gz WQHBPCHOADKMOG-INIZCTEOSA-N 1 0 424.488 2.761 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791641817 1077506184 /nfs/dbraw/zinc/50/61/84/1077506184.db2.gz LBDZZSJZFPLPAO-MBSDFSHPSA-N 1 0 423.513 2.930 20 0 HFADRO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)O1 ZINC000789352418 1077513547 /nfs/dbraw/zinc/51/35/47/1077513547.db2.gz NGRRTFFZEMMNBP-NCXUSEDFSA-N 1 0 409.571 2.782 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000789358122 1077515802 /nfs/dbraw/zinc/51/58/02/1077515802.db2.gz PSUGQZUWHHCNII-UWJYYQICSA-N 1 0 415.563 2.682 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000791707676 1077521753 /nfs/dbraw/zinc/52/17/53/1077521753.db2.gz YCMPTOQLKWLDHB-YTJPUZGESA-N 1 0 423.513 2.834 20 0 HFADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000789344023 1077528716 /nfs/dbraw/zinc/52/87/16/1077528716.db2.gz NRIAVDSXGIVFCV-CPNJWEJPSA-N 1 0 420.506 2.700 20 0 HFADRO COC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000789384191 1077531439 /nfs/dbraw/zinc/53/14/39/1077531439.db2.gz VVPQYYRGDFAJHT-PMACEKPBSA-N 1 0 415.465 2.800 20 0 HFADRO C[C@@H]1CC[C@@H]([NH2+]C(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)C1 ZINC001170103303 1077532636 /nfs/dbraw/zinc/53/26/36/1077532636.db2.gz FBMCNRIZYIRZIV-CZUORRHYSA-N 1 0 416.497 2.568 20 0 HFADRO CCc1cccc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(N(C)C)cc2)c1 ZINC000789391802 1077534966 /nfs/dbraw/zinc/53/49/66/1077534966.db2.gz BNHKTIWZONTQTO-UHFFFAOYSA-O 1 0 409.539 2.534 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SC(F)F)C1 ZINC000746813314 1077555445 /nfs/dbraw/zinc/55/54/45/1077555445.db2.gz IUFQCYOVWRXBPJ-AWEZNQCLSA-N 1 0 415.506 2.899 20 0 HFADRO Cc1ccc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@H]2CCc3ccccc3C2)c1 ZINC000789401069 1077559130 /nfs/dbraw/zinc/55/91/30/1077559130.db2.gz BWMTZZOPAJDVAZ-SFHVURJKSA-O 1 0 406.535 2.769 20 0 HFADRO O=S(=O)(c1ccccc1)N1CCN(CCNc2cc[nH+]cc2-c2ccccc2)CC1 ZINC001170107924 1077573984 /nfs/dbraw/zinc/57/39/84/1077573984.db2.gz WXLPKXFHZUWBHQ-UHFFFAOYSA-N 1 0 422.554 2.589 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2c(N)c(F)ccc2Br)CC1 ZINC000791827513 1077575628 /nfs/dbraw/zinc/57/56/28/1077575628.db2.gz TXELZGWMRQOESH-UHFFFAOYSA-N 1 0 402.308 2.743 20 0 HFADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791829128 1077576651 /nfs/dbraw/zinc/57/66/51/1077576651.db2.gz VFMBEPPFVHMJOX-ZWAQGKOVSA-N 1 0 420.492 2.757 20 0 HFADRO C[C@H]1CN(C(=O)C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000789446722 1077577944 /nfs/dbraw/zinc/57/79/44/1077577944.db2.gz LTMWFDXJCUTYOX-KXBFYZLASA-N 1 0 418.335 2.965 20 0 HFADRO CCOc1cn(-c2ccccc2)nc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791841529 1077580925 /nfs/dbraw/zinc/58/09/25/1077580925.db2.gz FUXVECYEMFRWMJ-UHFFFAOYSA-N 1 0 400.523 2.844 20 0 HFADRO O=C1O[C@]2(CN1CN1CCc3ccc(Br)cc3C1)C[NH+]1CCC2CC1 ZINC000789470042 1077585400 /nfs/dbraw/zinc/58/54/00/1077585400.db2.gz ZLHCGVPDLXIEAU-IBGZPJMESA-N 1 0 406.324 2.681 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(Br)cc(F)c2N)CC1 ZINC000791899017 1077590185 /nfs/dbraw/zinc/59/01/85/1077590185.db2.gz QCQKXTYCMWVARK-UHFFFAOYSA-N 1 0 402.308 2.743 20 0 HFADRO C[NH+](C)CCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000791869839 1077593032 /nfs/dbraw/zinc/59/30/32/1077593032.db2.gz KJHBTCGMXBOTHD-AWEZNQCLSA-N 1 0 402.278 2.693 20 0 HFADRO CS(=O)(=O)c1cccc(C(=O)COC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000791939191 1077600074 /nfs/dbraw/zinc/60/00/74/1077600074.db2.gz MYURNSDLNUIRHR-UHFFFAOYSA-N 1 0 415.511 2.728 20 0 HFADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940583 1077600514 /nfs/dbraw/zinc/60/05/14/1077600514.db2.gz VVRGUSGANYACIK-BBQXTPJSSA-N 1 0 413.587 2.835 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000791941186 1077601408 /nfs/dbraw/zinc/60/14/08/1077601408.db2.gz ZFUKKEFHFXWEIS-IBGZPJMESA-N 1 0 402.457 2.872 20 0 HFADRO COC(=O)/C=C\c1ccc(OCC[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000789521189 1077615091 /nfs/dbraw/zinc/61/50/91/1077615091.db2.gz LLHPHTPSGHSTPI-JQCPSUHGSA-N 1 0 408.498 2.985 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000791979799 1077621242 /nfs/dbraw/zinc/62/12/42/1077621242.db2.gz ABIGACQXAUMAJT-FPOVZHCZSA-N 1 0 402.498 2.848 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789564823 1077643782 /nfs/dbraw/zinc/64/37/82/1077643782.db2.gz IXDCDBSQMPZWRM-KRWDZBQOSA-N 1 0 400.910 2.962 20 0 HFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792059263 1077665936 /nfs/dbraw/zinc/66/59/36/1077665936.db2.gz ZQASFMFOFGMYTK-IBGZPJMESA-N 1 0 410.603 2.558 20 0 HFADRO C[NH+](C)CCOc1ccc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792064090 1077672345 /nfs/dbraw/zinc/67/23/45/1077672345.db2.gz TULLYODLKAXLSK-UHFFFAOYSA-N 1 0 420.554 2.508 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792078803 1077684824 /nfs/dbraw/zinc/68/48/24/1077684824.db2.gz BOQDKUIKTGLNIT-UHFFFAOYSA-N 1 0 418.582 2.697 20 0 HFADRO O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792045281 1077691551 /nfs/dbraw/zinc/69/15/51/1077691551.db2.gz CGSPUSLBSJTHPR-FQEVSTJZSA-N 1 0 408.502 2.965 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792046489 1077692338 /nfs/dbraw/zinc/69/23/38/1077692338.db2.gz KPNLLBQGNFSVFR-FQEVSTJZSA-N 1 0 404.518 2.897 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cn(C(C)(C)C)nc2Br)CC1 ZINC000792117989 1077703878 /nfs/dbraw/zinc/70/38/78/1077703878.db2.gz NVCVGKKKMKWKBX-UHFFFAOYSA-N 1 0 415.376 2.974 20 0 HFADRO CC(C)OC(=O)N1CCC(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000792084541 1077708173 /nfs/dbraw/zinc/70/81/73/1077708173.db2.gz RSFDIGWAPBJQKO-BGYRXZFFSA-N 1 0 414.550 2.769 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000792087483 1077710176 /nfs/dbraw/zinc/71/01/76/1077710176.db2.gz CUBVTUVMLAMYNM-LJQANCHMSA-N 1 0 423.598 2.983 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000792091500 1077712400 /nfs/dbraw/zinc/71/24/00/1077712400.db2.gz AYQXKOAGKMKNAF-SJLPKXTDSA-N 1 0 412.575 2.575 20 0 HFADRO C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792142127 1077721088 /nfs/dbraw/zinc/72/10/88/1077721088.db2.gz HBDDIEZLJVOBJU-YSIASYRMSA-N 1 0 416.566 2.921 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000792150406 1077723581 /nfs/dbraw/zinc/72/35/81/1077723581.db2.gz QEUDZOCHBSZPMM-GOTSBHOMSA-N 1 0 420.557 2.999 20 0 HFADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000746846660 1077728306 /nfs/dbraw/zinc/72/83/06/1077728306.db2.gz DTWFTPGSOSZFBB-SIPAGGKYSA-N 1 0 412.513 2.983 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(Br)c(F)cc2N)CC1 ZINC000792121569 1077728364 /nfs/dbraw/zinc/72/83/64/1077728364.db2.gz VCEBGFFYGWFTDW-UHFFFAOYSA-N 1 0 402.308 2.743 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000792172089 1077734161 /nfs/dbraw/zinc/73/41/61/1077734161.db2.gz NIUKYNBSCHOJSG-AWEZNQCLSA-N 1 0 407.312 2.699 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789667550 1077734495 /nfs/dbraw/zinc/73/44/95/1077734495.db2.gz JCIMOYFZVMGCBJ-NRFANRHFSA-N 1 0 408.546 2.540 20 0 HFADRO CC(C)[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H](O)C(F)(F)F ZINC001170115191 1077735151 /nfs/dbraw/zinc/73/51/51/1077735151.db2.gz CFXOHPBWQNXWGD-IRXDYDNUSA-N 1 0 402.438 2.886 20 0 HFADRO CCNC(=O)COc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1OC ZINC000792183476 1077737196 /nfs/dbraw/zinc/73/71/96/1077737196.db2.gz KFLREUUMRLTHGO-UHFFFAOYSA-N 1 0 417.481 2.788 20 0 HFADRO C[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000746843766 1077738537 /nfs/dbraw/zinc/73/85/37/1077738537.db2.gz JWZRINQLEPANSB-MRXNPFEDSA-N 1 0 409.552 2.510 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000746844249 1077739960 /nfs/dbraw/zinc/73/99/60/1077739960.db2.gz RGTITKDHPMHITJ-UYAOXDASSA-N 1 0 418.582 2.594 20 0 HFADRO COc1cccc(/C=C(\C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)n2nnnc2C)c1 ZINC000746843985 1077740052 /nfs/dbraw/zinc/74/00/52/1077740052.db2.gz KRLVHFVCPAERPK-KGENOOAVSA-N 1 0 412.538 2.567 20 0 HFADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C(C)C)cc1 ZINC000792221782 1077747446 /nfs/dbraw/zinc/74/74/46/1077747446.db2.gz OSAVJBCLHQEZAH-ICSRJNTNSA-N 1 0 404.507 2.581 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000792227111 1077752696 /nfs/dbraw/zinc/75/26/96/1077752696.db2.gz VKCJBDLQBOSNKI-IFMALSPDSA-N 1 0 401.551 2.878 20 0 HFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000792235177 1077757864 /nfs/dbraw/zinc/75/78/64/1077757864.db2.gz LRKCAFVMGJYWCZ-AWEZNQCLSA-N 1 0 415.925 2.553 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)CC2)cc1 ZINC000789726420 1077760796 /nfs/dbraw/zinc/76/07/96/1077760796.db2.gz MBVQLPXLFMTJPL-NRFANRHFSA-N 1 0 422.529 2.668 20 0 HFADRO CSC(C)(C)CNC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792241374 1077761400 /nfs/dbraw/zinc/76/14/00/1077761400.db2.gz MGKIHTPSZLIHCQ-UHFFFAOYSA-N 1 0 406.596 2.722 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CC3(CS(C)(=O)=O)CC3)cc2F)CC1 ZINC000746849080 1077762178 /nfs/dbraw/zinc/76/21/78/1077762178.db2.gz UNXUNPNGKBHXLR-UHFFFAOYSA-N 1 0 411.543 2.510 20 0 HFADRO COc1ccc(CCC(=O)N2CCC[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000792215322 1077769798 /nfs/dbraw/zinc/76/97/98/1077769798.db2.gz OCARPPSJAAPORU-FQEVSTJZSA-N 1 0 400.519 2.648 20 0 HFADRO CCCCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1(C)C ZINC001170119158 1077770520 /nfs/dbraw/zinc/77/05/20/1077770520.db2.gz VBTNEKMMCCHSKO-MSOLQXFVSA-N 1 0 420.506 2.772 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000792250644 1077771417 /nfs/dbraw/zinc/77/14/17/1077771417.db2.gz KQCPCPJWDSLQLC-MJGOQNOKSA-N 1 0 419.570 2.991 20 0 HFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000746855355 1077780065 /nfs/dbraw/zinc/78/00/65/1077780065.db2.gz NNKAWVHOGZAGPB-UHFFFAOYSA-N 1 0 404.511 2.623 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)C2)c1 ZINC000792265424 1077787117 /nfs/dbraw/zinc/78/71/17/1077787117.db2.gz XGQHWNKZVSPASO-IIBYNOLFSA-N 1 0 403.523 2.681 20 0 HFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000792347389 1077810387 /nfs/dbraw/zinc/81/03/87/1077810387.db2.gz KGKKLSSSPVYCFR-QGZVFWFLSA-N 1 0 409.534 2.764 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000789807901 1077819421 /nfs/dbraw/zinc/81/94/21/1077819421.db2.gz QNRNTZKBQMAHFD-LJQANCHMSA-N 1 0 415.534 2.839 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000789808673 1077820394 /nfs/dbraw/zinc/82/03/94/1077820394.db2.gz BLMGNYYCECYLGG-FCHUYYIVSA-N 1 0 424.520 2.967 20 0 HFADRO COC(=O)c1ccc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(N(C)C)c1 ZINC000792415579 1077848823 /nfs/dbraw/zinc/84/88/23/1077848823.db2.gz OJSXCNBHAATCHY-UHFFFAOYSA-N 1 0 418.538 2.505 20 0 HFADRO NC(=[NH2+])N(c1cnc2cc(Br)ccn21)c1ccc(N2CCOCC2)cc1 ZINC001170166675 1077852949 /nfs/dbraw/zinc/85/29/49/1077852949.db2.gz KVNQQDJAGSGKLJ-UHFFFAOYSA-N 1 0 415.295 2.965 20 0 HFADRO CC(C)(CNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)C[NH+]1CCCC1 ZINC000792464658 1077859516 /nfs/dbraw/zinc/85/95/16/1077859516.db2.gz JXXATIGBKUZFCZ-UHFFFAOYSA-N 1 0 420.517 2.597 20 0 HFADRO CCS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000792494056 1077865889 /nfs/dbraw/zinc/86/58/89/1077865889.db2.gz OHEMTEMKMQRAOZ-YRNVUSSQSA-N 1 0 422.572 2.812 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)=NO1 ZINC000789954679 1077866873 /nfs/dbraw/zinc/86/68/73/1077866873.db2.gz MZMRNKUMHKRHOU-IEBWSBKVSA-N 1 0 416.522 2.609 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792497194 1077867349 /nfs/dbraw/zinc/86/73/49/1077867349.db2.gz ZRRGGCDSPUJIDG-WOJBJXKFSA-N 1 0 417.550 2.651 20 0 HFADRO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792497369 1077867979 /nfs/dbraw/zinc/86/79/79/1077867979.db2.gz JGAWETVTTLKHAL-MSOLQXFVSA-N 1 0 405.564 2.935 20 0 HFADRO COC(=O)c1nc(C(F)(F)F)ccc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170167565 1077885040 /nfs/dbraw/zinc/88/50/40/1077885040.db2.gz NRJNCXQBXQDKDR-UHFFFAOYSA-N 1 0 423.395 2.755 20 0 HFADRO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000746868328 1077886946 /nfs/dbraw/zinc/88/69/46/1077886946.db2.gz WQBFEMZIUSNHTL-QHCPKHFHSA-N 1 0 410.518 2.644 20 0 HFADRO COc1ccc(C=O)c(OCC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792545050 1077898663 /nfs/dbraw/zinc/89/86/63/1077898663.db2.gz XIGPHDIKEUXNCL-UHFFFAOYSA-N 1 0 414.424 2.808 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000790031160 1077903777 /nfs/dbraw/zinc/90/37/77/1077903777.db2.gz FHYUWJQBHBMCJT-WOJBJXKFSA-N 1 0 414.594 2.572 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790031192 1077903835 /nfs/dbraw/zinc/90/38/35/1077903835.db2.gz FRBPWPBPZOPLQG-UHFFFAOYSA-N 1 0 414.594 2.670 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCC34CCC(CC3)C4)cc2F)CC1 ZINC000757228816 1077905570 /nfs/dbraw/zinc/90/55/70/1077905570.db2.gz KDLAXKYZBZHVGU-UHFFFAOYSA-N 1 0 416.541 2.991 20 0 HFADRO C[NH+](C)CCC1CCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CC1 ZINC000790034834 1077906292 /nfs/dbraw/zinc/90/62/92/1077906292.db2.gz NXLWLIYXTUKACA-UHFFFAOYSA-N 1 0 414.594 2.526 20 0 HFADRO CC[C@H]1C[C@H]([NH+]2CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CCO1 ZINC001170207410 1077906500 /nfs/dbraw/zinc/90/65/00/1077906500.db2.gz KNESQIIJQKXCSB-MOPGFXCFSA-N 1 0 409.571 2.735 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000790037034 1077906991 /nfs/dbraw/zinc/90/69/91/1077906991.db2.gz CDYHMMFPDMPCEF-GOSISDBHSA-N 1 0 423.579 2.911 20 0 HFADRO CC[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214086 1077908768 /nfs/dbraw/zinc/90/87/68/1077908768.db2.gz MMWMWGFSSKMUCO-CLAROIROSA-N 1 0 406.592 2.913 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001170218970 1077910260 /nfs/dbraw/zinc/91/02/60/1077910260.db2.gz XLDSGSSXUCYXHR-SJORKVTESA-N 1 0 401.548 2.595 20 0 HFADRO CN(Cc1ccccc1Br)C(=O)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792573101 1077911188 /nfs/dbraw/zinc/91/11/88/1077911188.db2.gz RVSFBNSSHUGBPO-UHFFFAOYSA-N 1 0 402.248 2.912 20 0 HFADRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000790013449 1077913108 /nfs/dbraw/zinc/91/31/08/1077913108.db2.gz UZIBEVUDJOLHMD-UHFFFAOYSA-N 1 0 411.568 2.567 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)c3ccc4c[nH+]cn4c3)cc2)C[C@@H](C)O1 ZINC000792574256 1077918854 /nfs/dbraw/zinc/91/88/54/1077918854.db2.gz ZZGUQQOOBRHHNX-HZPDHXFCSA-N 1 0 408.458 2.743 20 0 HFADRO Cn1cnc2c1c(NCC1C[NH+](C)C1)cn(-c1ccc(OC(F)(F)F)cc1)c2=O ZINC001170258220 1077920303 /nfs/dbraw/zinc/92/03/03/1077920303.db2.gz GZIOSVOTUJOJCS-UHFFFAOYSA-N 1 0 407.396 2.596 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1CCCn2cnc(COCC(=O)N(C)C)c2C1 ZINC001170273999 1077925782 /nfs/dbraw/zinc/92/57/82/1077925782.db2.gz OZALASDBEYLSRB-MRXNPFEDSA-N 1 0 404.942 2.978 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001170275363 1077926502 /nfs/dbraw/zinc/92/65/02/1077926502.db2.gz GPSATDLCEBBDHK-VDHUWJSZSA-N 1 0 400.910 2.894 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)C[NH2+][C@H](C)Cc2ccccc2Cl)c1 ZINC001170255514 1077928417 /nfs/dbraw/zinc/92/84/17/1077928417.db2.gz RTVONQZRHFWEAO-AUUYWEPGSA-N 1 0 406.910 2.728 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(F)c(Br)c1 ZINC000790048349 1077928416 /nfs/dbraw/zinc/92/84/16/1077928416.db2.gz FCIDYMRILWDNBJ-UHFFFAOYSA-N 1 0 420.304 2.731 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)n1nncc1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001170286097 1077938098 /nfs/dbraw/zinc/93/80/98/1077938098.db2.gz WWRALBJQSPRYAR-LAUBAEHRSA-N 1 0 403.958 2.937 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)c1cnc2sccn2c1=O)c1cccc(C(F)(F)F)c1 ZINC001170320860 1077942579 /nfs/dbraw/zinc/94/25/79/1077942579.db2.gz PDMZOAJCRTYFCY-AWEZNQCLSA-N 1 0 410.421 2.808 20 0 HFADRO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC001170334264 1077946377 /nfs/dbraw/zinc/94/63/77/1077946377.db2.gz YZCJPTRPUGGOQF-PMACEKPBSA-N 1 0 423.557 2.932 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001170349964 1077955564 /nfs/dbraw/zinc/95/55/64/1077955564.db2.gz VSTOJBHBYKDSBJ-ROUUACIJSA-N 1 0 407.555 2.536 20 0 HFADRO COc1ccc(-c2csc(NC(=O)[C@H](C)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)n2)cc1 ZINC001170351588 1077956326 /nfs/dbraw/zinc/95/63/26/1077956326.db2.gz MAEPQKGDOMXSMI-XHSDSOJGSA-N 1 0 418.563 2.533 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000772817558 1077956620 /nfs/dbraw/zinc/95/66/20/1077956620.db2.gz XQXJQFXBHLZXTJ-HXUWFJFHSA-N 1 0 411.502 2.733 20 0 HFADRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]2CCCO[C@@H]21 ZINC001170385978 1077957203 /nfs/dbraw/zinc/95/72/03/1077957203.db2.gz LIWLUWNFRMJUHX-XWIAVFTESA-N 1 0 405.564 2.848 20 0 HFADRO CC(C)[C@](C)([NH2+]CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(N)=O ZINC001170129201 1077964824 /nfs/dbraw/zinc/96/48/24/1077964824.db2.gz WQROKUUHVWUOHF-XDHUDOTRSA-N 1 0 424.545 2.948 20 0 HFADRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)Nc2cccc(I)c2)C1(C)C ZINC001170400319 1077965007 /nfs/dbraw/zinc/96/50/07/1077965007.db2.gz SJDAPCWGMJPZOM-COLVAYQJSA-N 1 0 402.276 2.879 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001170412622 1077967169 /nfs/dbraw/zinc/96/71/69/1077967169.db2.gz RCTMFMNBSUSHTI-IKGGRYGDSA-N 1 0 420.506 2.877 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000790219938 1077973062 /nfs/dbraw/zinc/97/30/62/1077973062.db2.gz PFZJMWTXRCQKIT-KNQAVFIVSA-N 1 0 413.566 2.880 20 0 HFADRO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000790239822 1077974251 /nfs/dbraw/zinc/97/42/51/1077974251.db2.gz WPAZHOGXSSXTIM-RHSMWYFYSA-N 1 0 407.511 2.940 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000790239091 1077974502 /nfs/dbraw/zinc/97/45/02/1077974502.db2.gz DENKIEHABBTXOA-GOSISDBHSA-N 1 0 421.494 2.714 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H](O)[C@@H](O)c3nc4ccccc4s3)cccc21 ZINC000790244168 1077975503 /nfs/dbraw/zinc/97/55/03/1077975503.db2.gz VKIOKOPXNGJPIL-KBAYOESNSA-N 1 0 413.499 2.715 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4s3)cccc21 ZINC000790244167 1077975590 /nfs/dbraw/zinc/97/55/90/1077975590.db2.gz VKIOKOPXNGJPIL-BPQIPLTHSA-N 1 0 413.499 2.715 20 0 HFADRO Cc1ccc(CCC(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000792755494 1077986771 /nfs/dbraw/zinc/98/67/71/1077986771.db2.gz GYWHZXLMVVCACQ-SFHVURJKSA-N 1 0 410.942 2.597 20 0 HFADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)[C@H]1CC(c3cccnc3)=NO1)c1ccccc1O2 ZINC000790292812 1077987476 /nfs/dbraw/zinc/98/74/76/1077987476.db2.gz FFCDEEOICVXYAB-PZJWPPBQSA-N 1 0 406.486 2.679 20 0 HFADRO O=C(CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000772752552 1077992663 /nfs/dbraw/zinc/99/26/63/1077992663.db2.gz YOERXQYPWOOBTC-IBGZPJMESA-N 1 0 412.534 2.617 20 0 HFADRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790312733 1077994578 /nfs/dbraw/zinc/99/45/78/1077994578.db2.gz RVHVWJVEKVRHQZ-ZCTYVAAUSA-N 1 0 407.555 2.677 20 0 HFADRO CC(C)(C)OC(=O)N1CCC([N@H+](C2CC2)[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000790313719 1077994636 /nfs/dbraw/zinc/99/46/36/1077994636.db2.gz BBJPLJVMWJNULJ-LJQANCHMSA-N 1 0 407.555 2.630 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)C1CCCCC1 ZINC000790331087 1077998345 /nfs/dbraw/zinc/99/83/45/1077998345.db2.gz KRWBMGXOJOMHCU-RTBURBONSA-N 1 0 409.571 2.830 20 0 HFADRO O=C(NCCNc1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc(Cl)cn1 ZINC001170420205 1077998752 /nfs/dbraw/zinc/99/87/52/1077998752.db2.gz ANSFNFQTSCROHP-CTNGQTDRSA-N 1 0 400.910 2.597 20 0 HFADRO CCCN(CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790362375 1078004904 /nfs/dbraw/zinc/00/49/04/1078004904.db2.gz KZFZLPHHXUGXDS-PGRDOPGGSA-N 1 0 422.570 2.582 20 0 HFADRO O=C(c1ccc(F)cc1)C1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790385614 1078011318 /nfs/dbraw/zinc/01/13/18/1078011318.db2.gz JZYXXVVCRNZXJU-QFIPXVFZSA-N 1 0 401.482 2.595 20 0 HFADRO CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747089368 1078012022 /nfs/dbraw/zinc/01/20/22/1078012022.db2.gz ALBHYJJHVOYYEQ-SFHVURJKSA-N 1 0 405.539 2.938 20 0 HFADRO O=C(CN1CC(O)(c2ccc(F)cc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000792874442 1078015298 /nfs/dbraw/zinc/01/52/98/1078015298.db2.gz GXVSIOUEQLEYLY-UHFFFAOYSA-N 1 0 415.534 2.516 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000792880771 1078016624 /nfs/dbraw/zinc/01/66/24/1078016624.db2.gz VAXSYZZMXJHAKA-NHCUHLMSSA-N 1 0 419.566 2.503 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)[C@H](C)C1 ZINC000790377159 1078018391 /nfs/dbraw/zinc/01/83/91/1078018391.db2.gz WPZICWPRDRWGLF-XLIONFOSSA-N 1 0 422.545 2.911 20 0 HFADRO O=C1O[C@]2(CN1CN1CCC(OCc3ccc(F)cc3)CC1)C[NH+]1CCC2CC1 ZINC000790376785 1078018616 /nfs/dbraw/zinc/01/86/16/1078018616.db2.gz VZBUGNITEQTBPH-QFIPXVFZSA-N 1 0 403.498 2.681 20 0 HFADRO Cc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)[NH+]2CCCC2)cc1 ZINC000747090662 1078020409 /nfs/dbraw/zinc/02/04/09/1078020409.db2.gz VWEOOUZVSSDYEJ-FQEVSTJZSA-N 1 0 400.500 2.781 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000792943558 1078022809 /nfs/dbraw/zinc/02/28/09/1078022809.db2.gz MZSLCHFPQOKKLT-CQSZACIVSA-N 1 0 400.903 2.867 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)c1ccco1 ZINC000792970769 1078029740 /nfs/dbraw/zinc/02/97/40/1078029740.db2.gz XHESOHJWHRCZKT-CYBMUJFWSA-N 1 0 423.311 2.883 20 0 HFADRO COc1cccc([C@H](C)N2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971984 1078029997 /nfs/dbraw/zinc/02/99/97/1078029997.db2.gz DZCCDPHSKMVSKH-HKUYNNGSSA-N 1 0 407.555 2.650 20 0 HFADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)n2)[NH+]2CCCC2)c1 ZINC000792947777 1078032392 /nfs/dbraw/zinc/03/23/92/1078032392.db2.gz PBWJZLHQGGCKSW-INIZCTEOSA-N 1 0 402.882 2.635 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)c1cccc(OC)c1 ZINC000792949034 1078032773 /nfs/dbraw/zinc/03/27/73/1078032773.db2.gz ONJJBCREYCRMCS-MRXNPFEDSA-N 1 0 404.898 2.881 20 0 HFADRO CC[N@H+](C)C[C@H]1CCN(Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790443228 1078032948 /nfs/dbraw/zinc/03/29/48/1078032948.db2.gz JTCQDLIYOUZNOA-CYBMUJFWSA-N 1 0 409.328 2.817 20 0 HFADRO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790443540 1078033465 /nfs/dbraw/zinc/03/34/65/1078033465.db2.gz XCNAASDNVMGXBF-NSHDSACASA-N 1 0 410.268 2.570 20 0 HFADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)s1 ZINC000792963119 1078036893 /nfs/dbraw/zinc/03/68/93/1078036893.db2.gz VTYGLRIHGDFLTG-MRXNPFEDSA-N 1 0 411.568 2.526 20 0 HFADRO O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792984990 1078040859 /nfs/dbraw/zinc/04/08/59/1078040859.db2.gz MCPGOEWMJMCYQC-MOPGFXCFSA-N 1 0 400.523 2.571 20 0 HFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000806254062 1079522224 /nfs/dbraw/zinc/52/22/24/1079522224.db2.gz QKBQOKIKVURGES-NRFANRHFSA-N 1 0 414.594 2.839 20 0 HFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000806254049 1079522286 /nfs/dbraw/zinc/52/22/86/1079522286.db2.gz YLSTUEXFDXOKIQ-LEWJYISDSA-N 1 0 401.551 2.651 20 0 HFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(Br)cc1F ZINC000806254293 1079523798 /nfs/dbraw/zinc/52/37/98/1079523798.db2.gz UGPWKBULNMZLQJ-HNNXBMFYSA-N 1 0 414.319 2.585 20 0 HFADRO O=C(NCc1ccc(Cl)nc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000747311212 1079544561 /nfs/dbraw/zinc/54/45/61/1079544561.db2.gz HVMOCOTZTVQITL-UHFFFAOYSA-N 1 0 418.950 2.581 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000806298473 1079550831 /nfs/dbraw/zinc/55/08/31/1079550831.db2.gz IMQGBXGFRHRTKQ-MHJFOBGBSA-N 1 0 415.582 2.871 20 0 HFADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806300412 1079553433 /nfs/dbraw/zinc/55/34/33/1079553433.db2.gz HVWAXYIIMPRBSR-IBGZPJMESA-N 1 0 403.571 2.538 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CCC2 ZINC000806301774 1079554111 /nfs/dbraw/zinc/55/41/11/1079554111.db2.gz WLPUFMZQYKPKBU-UIFIKXQLSA-N 1 0 423.561 2.737 20 0 HFADRO CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21)[NH+]1CCCC1 ZINC000806302968 1079554664 /nfs/dbraw/zinc/55/46/64/1079554664.db2.gz JDXBOSJSSWBYTL-PMACEKPBSA-N 1 0 417.598 2.974 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000806307327 1079560261 /nfs/dbraw/zinc/56/02/61/1079560261.db2.gz BUEZZCWJIRERSC-WOJBJXKFSA-N 1 0 404.555 2.860 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)CCC2 ZINC000806298153 1079585794 /nfs/dbraw/zinc/58/57/94/1079585794.db2.gz ZCPWEVFOCRKJGT-LJQANCHMSA-N 1 0 403.571 2.536 20 0 HFADRO C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000806319050 1079589836 /nfs/dbraw/zinc/58/98/36/1079589836.db2.gz GNKHFWHEPLBDDK-PKOBYXMFSA-N 1 0 420.558 2.700 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)C1 ZINC000806321837 1079593064 /nfs/dbraw/zinc/59/30/64/1079593064.db2.gz AVIHDTQBZUIZMW-VQTJNVASSA-N 1 0 424.586 2.576 20 0 HFADRO CCCCC[C@@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(C)(C)C ZINC000806324641 1079597647 /nfs/dbraw/zinc/59/76/47/1079597647.db2.gz PMSCNCLEFYQNLC-HXUWFJFHSA-N 1 0 422.658 2.974 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000806333189 1079603832 /nfs/dbraw/zinc/60/38/32/1079603832.db2.gz GPDUUSRIKYCHOV-KRWDZBQOSA-N 1 0 406.531 2.591 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000806332695 1079604356 /nfs/dbraw/zinc/60/43/56/1079604356.db2.gz ALHFJBGFKTZBDH-GOSISDBHSA-N 1 0 420.558 2.933 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)c1cccc(OC)c1 ZINC000806350515 1079623247 /nfs/dbraw/zinc/62/32/47/1079623247.db2.gz MXZPBMQPLVHDCX-AZUAARDMSA-N 1 0 420.554 2.998 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000806377316 1079626752 /nfs/dbraw/zinc/62/67/52/1079626752.db2.gz JQQMZKZPGOXIDV-LJQANCHMSA-N 1 0 420.554 2.779 20 0 HFADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)no1 ZINC001130610891 1079630525 /nfs/dbraw/zinc/63/05/25/1079630525.db2.gz WSUCSERJOFBDLF-HRAATJIYSA-N 1 0 416.547 2.824 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)C(C)(C)C ZINC000806391044 1079641644 /nfs/dbraw/zinc/64/16/44/1079641644.db2.gz QAXINHMYNKUSRS-BQFCYCMXSA-N 1 0 409.596 2.645 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000806371033 1079657986 /nfs/dbraw/zinc/65/79/86/1079657986.db2.gz DRRNXPJSTMTXME-HXUWFJFHSA-N 1 0 417.554 2.745 20 0 HFADRO COCC1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000806427683 1079673873 /nfs/dbraw/zinc/67/38/73/1079673873.db2.gz NDQJJVSGITZJGL-ROUUACIJSA-N 1 0 424.586 2.576 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000806434514 1079682182 /nfs/dbraw/zinc/68/21/82/1079682182.db2.gz NDMXXWFUDPSSEF-XLIONFOSSA-N 1 0 402.539 2.743 20 0 HFADRO C[C@@]1(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806434583 1079682720 /nfs/dbraw/zinc/68/27/20/1079682720.db2.gz OXMIXIMPINRTEN-KKSFZXQISA-N 1 0 405.926 2.936 20 0 HFADRO C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473478 1079704364 /nfs/dbraw/zinc/70/43/64/1079704364.db2.gz RBDLNGAOFFPUKB-AUUYWEPGSA-N 1 0 422.526 2.860 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000806498055 1079748745 /nfs/dbraw/zinc/74/87/45/1079748745.db2.gz WJBQPICGMTUROE-PMACEKPBSA-N 1 0 404.555 2.860 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)NCc1cccc(N2CCOC2=O)c1)c1ccc(F)cc1 ZINC000806505817 1079756761 /nfs/dbraw/zinc/75/67/61/1079756761.db2.gz ZBBAXXZATWKBHD-LJQANCHMSA-N 1 0 400.454 2.884 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccnc1-2 ZINC000806488257 1079772956 /nfs/dbraw/zinc/77/29/56/1079772956.db2.gz KLGOLMDYGBSQOF-HSZRJFAPSA-N 1 0 404.518 2.862 20 0 HFADRO Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CC[NH+](C4CCOCC4)CC3)cc12 ZINC000747334548 1079789485 /nfs/dbraw/zinc/78/94/85/1079789485.db2.gz ANACHJBXKHCTOU-UHFFFAOYSA-N 1 0 405.502 2.666 20 0 HFADRO Cc1c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnn1CCOc1ccc(F)cc1 ZINC000806524826 1079800754 /nfs/dbraw/zinc/80/07/54/1079800754.db2.gz HTPVSXCGYMEERR-JWTNVVGKSA-N 1 0 416.501 2.894 20 0 HFADRO COC(=O)[C@]1(NC(=O)c2cc(C)cc(Cl)n2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130660744 1079808137 /nfs/dbraw/zinc/80/81/37/1079808137.db2.gz NHFZFNGJYOFACN-NRFANRHFSA-N 1 0 401.894 2.981 20 0 HFADRO O=C([C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747334730 1079833990 /nfs/dbraw/zinc/83/39/90/1079833990.db2.gz NRSLAFSYUUMSSF-GOSISDBHSA-N 1 0 412.317 2.810 20 0 HFADRO O=C(NCCc1ccc(Cl)nc1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000806593847 1079837221 /nfs/dbraw/zinc/83/72/21/1079837221.db2.gz MGWUMSNAPQJGHF-UHFFFAOYSA-N 1 0 406.958 2.508 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000806612655 1079855298 /nfs/dbraw/zinc/85/52/98/1079855298.db2.gz JDMWGDUKMFODST-DYVFJYSZSA-N 1 0 405.417 2.800 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000747341999 1079873839 /nfs/dbraw/zinc/87/38/39/1079873839.db2.gz JIVMWTSEYNLECZ-QZNHQXDQSA-N 1 0 404.514 2.973 20 0 HFADRO Cc1ccc(-c2cc(C(=O)N3CCN(CC[NH+](C)C)C(=O)C3)c3ccccc3n2)o1 ZINC001130706812 1079877734 /nfs/dbraw/zinc/87/77/34/1079877734.db2.gz CXQAZCOSMFHMPS-UHFFFAOYSA-N 1 0 406.486 2.649 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000806634189 1079889739 /nfs/dbraw/zinc/88/97/39/1079889739.db2.gz GJGFHTHFVCXXOI-SFHVURJKSA-N 1 0 401.429 2.775 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(-n2cccn2)c1 ZINC000806636009 1079893082 /nfs/dbraw/zinc/89/30/82/1079893082.db2.gz YTOQIBZYXYZHJA-KMFTYDHNSA-N 1 0 423.561 2.963 20 0 HFADRO CCN(C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806727946 1079952417 /nfs/dbraw/zinc/95/24/17/1079952417.db2.gz GCVUTIQMCIITTM-QFIPXVFZSA-N 1 0 423.557 2.653 20 0 HFADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806730376 1079955084 /nfs/dbraw/zinc/95/50/84/1079955084.db2.gz OTEAJZXNCGQJGB-NRFANRHFSA-N 1 0 423.557 2.511 20 0 HFADRO CC(=O)Nc1ccc(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130733063 1079971425 /nfs/dbraw/zinc/97/14/25/1079971425.db2.gz IIRFNBQUPOGJMM-PKTZIBPZSA-N 1 0 407.514 2.689 20 0 HFADRO C[NH+](C)Cc1ccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000747353359 1080008021 /nfs/dbraw/zinc/00/80/21/1080008021.db2.gz SDYGSSIVHDIKJS-UHFFFAOYSA-N 1 0 410.518 2.641 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000806790200 1080011406 /nfs/dbraw/zinc/01/14/06/1080011406.db2.gz SMRKARQKVGMSHJ-QUCCMNQESA-N 1 0 403.954 2.837 20 0 HFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801785 1080018177 /nfs/dbraw/zinc/01/81/77/1080018177.db2.gz CLTLCDLGBRNJCS-JTQLQIEISA-N 1 0 424.265 2.620 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ccsc1Br ZINC000806811244 1080024522 /nfs/dbraw/zinc/02/45/22/1080024522.db2.gz RXPVJCVRVZJICN-UHFFFAOYSA-N 1 0 424.364 2.847 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806811945 1080025534 /nfs/dbraw/zinc/02/55/34/1080025534.db2.gz YVRKBVNURJKWQJ-VQTJNVASSA-N 1 0 402.539 2.961 20 0 HFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCC12OCCO2 ZINC000806813219 1080026604 /nfs/dbraw/zinc/02/66/04/1080026604.db2.gz QXTBPUALRAIAQM-IBGZPJMESA-N 1 0 407.942 2.512 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000806814265 1080027492 /nfs/dbraw/zinc/02/74/92/1080027492.db2.gz NBYRFDGCQASXKP-LJQANCHMSA-N 1 0 422.520 2.830 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)c1-c1ccccc1 ZINC000806843232 1080029717 /nfs/dbraw/zinc/02/97/17/1080029717.db2.gz HNECHSDBFKIMQK-FQEVSTJZSA-N 1 0 423.561 2.729 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000747358856 1080052899 /nfs/dbraw/zinc/05/28/99/1080052899.db2.gz DCBOMPUHGOOFQH-UHFFFAOYSA-N 1 0 411.550 2.946 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)[NH+]1CCCCC1 ZINC000806856386 1080060473 /nfs/dbraw/zinc/06/04/73/1080060473.db2.gz FOUCRWXRANCCQR-GFCCVEGCSA-N 1 0 403.857 2.913 20 0 HFADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c(F)cc1Br ZINC000806857194 1080061695 /nfs/dbraw/zinc/06/16/95/1080061695.db2.gz NRYPTZMRARLFKM-LBPRGKRZSA-N 1 0 400.292 2.826 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000806856921 1080062012 /nfs/dbraw/zinc/06/20/12/1080062012.db2.gz MMORMQWUFLZEFD-FQEVSTJZSA-N 1 0 416.566 2.784 20 0 HFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)COCc2ccccn2)CC1 ZINC000806924177 1080093410 /nfs/dbraw/zinc/09/34/10/1080093410.db2.gz FLJIMCDDJWIEBC-UHFFFAOYSA-N 1 0 422.451 2.685 20 0 HFADRO C[NH+]1CCC(O)(CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000806940795 1080147931 /nfs/dbraw/zinc/14/79/31/1080147931.db2.gz AHEUCVIMXQEKRC-GOSISDBHSA-N 1 0 419.566 2.852 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000806992549 1080171330 /nfs/dbraw/zinc/17/13/30/1080171330.db2.gz VCXCLCQXUIVLRE-RJGXRXQPSA-N 1 0 415.578 2.828 20 0 HFADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000807026627 1080220829 /nfs/dbraw/zinc/22/08/29/1080220829.db2.gz XCSRQTWNVNCFAP-JOCHJYFZSA-N 1 0 423.557 2.658 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000807054575 1080237888 /nfs/dbraw/zinc/23/78/88/1080237888.db2.gz MLFLTGXYUXPIHE-SFHVURJKSA-N 1 0 403.592 2.759 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807068758 1080250783 /nfs/dbraw/zinc/25/07/83/1080250783.db2.gz OWQXCOJGLKAMNS-LJQANCHMSA-N 1 0 403.527 2.560 20 0 HFADRO CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000807071701 1080254191 /nfs/dbraw/zinc/25/41/91/1080254191.db2.gz ADCZAPWEBIYXBQ-VGOFRKELSA-N 1 0 418.969 2.850 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000807077286 1080258754 /nfs/dbraw/zinc/25/87/54/1080258754.db2.gz FPMLDSGBYZUDQL-IABZKBCVSA-N 1 0 405.539 2.919 20 0 HFADRO C[C@H](CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)[NH+]1CCCCC1 ZINC000807090721 1080269179 /nfs/dbraw/zinc/26/91/79/1080269179.db2.gz XZNCZVLDVLEDIW-NQIIRXRSSA-N 1 0 401.551 2.651 20 0 HFADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)no1 ZINC001130843677 1080277562 /nfs/dbraw/zinc/27/75/62/1080277562.db2.gz MOFGMVPXGYBURM-WBVHZDCISA-N 1 0 416.547 2.953 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000807113972 1080290519 /nfs/dbraw/zinc/29/05/19/1080290519.db2.gz JIWQMWYKYJCLSA-LPHOPBHVSA-N 1 0 414.937 2.686 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000807113537 1080291063 /nfs/dbraw/zinc/29/10/63/1080291063.db2.gz FTNRBXJQUAPLGN-SFHLNBCPSA-N 1 0 420.557 2.670 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)CCc1ccccc1F ZINC000807114674 1080291533 /nfs/dbraw/zinc/29/15/33/1080291533.db2.gz YUSKBROQSIPJAQ-AVRDEDQJSA-N 1 0 411.521 2.853 20 0 HFADRO CC[N@H+](CCNC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1)CCC(F)(F)F ZINC000807176511 1080297419 /nfs/dbraw/zinc/29/74/19/1080297419.db2.gz DJYQBXWRWQGBPC-UHFFFAOYSA-N 1 0 400.445 2.628 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)ccn1 ZINC000807173837 1080327205 /nfs/dbraw/zinc/32/72/05/1080327205.db2.gz DEUIUWPLYGSTTN-NRFANRHFSA-N 1 0 416.909 2.875 20 0 HFADRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(OC)cc2I)CC1 ZINC001158145632 1080366578 /nfs/dbraw/zinc/36/65/78/1080366578.db2.gz NAFRDJFYQUPMRO-LBPRGKRZSA-N 1 0 402.276 2.856 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000747376694 1080370754 /nfs/dbraw/zinc/37/07/54/1080370754.db2.gz VUZFZWBIWBDJBA-UHFFFAOYSA-N 1 0 417.575 2.912 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807187513 1080380413 /nfs/dbraw/zinc/38/04/13/1080380413.db2.gz DRDKNFBIQKXVAS-VQTJNVASSA-N 1 0 402.539 2.771 20 0 HFADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@@H](c4ccccn4)C3)CC2)C1 ZINC001170519720 1080403441 /nfs/dbraw/zinc/40/34/41/1080403441.db2.gz RCEWYVQLASRNEB-PZJWPPBQSA-N 1 0 412.578 2.758 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000807246295 1080403513 /nfs/dbraw/zinc/40/35/13/1080403513.db2.gz KLBBIGUBJOQNBJ-VQTJNVASSA-N 1 0 403.567 2.664 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000807246293 1080403597 /nfs/dbraw/zinc/40/35/97/1080403597.db2.gz KLBBIGUBJOQNBJ-UXHICEINSA-N 1 0 403.567 2.664 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H](CCO)Cc3ccccc3)cc2)CC1 ZINC000807254576 1080413706 /nfs/dbraw/zinc/41/37/06/1080413706.db2.gz DSDQRILZMWETPZ-OAQYLSRUSA-N 1 0 411.546 2.953 20 0 HFADRO O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001130894628 1080425948 /nfs/dbraw/zinc/42/59/48/1080425948.db2.gz RMXGQYWIDZLBRD-XUVXKRRUSA-N 1 0 401.457 2.838 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001130895328 1080431025 /nfs/dbraw/zinc/43/10/25/1080431025.db2.gz MMMTXTPIUYIFLJ-CQSZACIVSA-N 1 0 415.987 2.972 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000807304377 1080498174 /nfs/dbraw/zinc/49/81/74/1080498174.db2.gz IEZKKYWMDHQRJG-OAQYLSRUSA-N 1 0 424.549 2.632 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)c1ccco1 ZINC000807310566 1080505239 /nfs/dbraw/zinc/50/52/39/1080505239.db2.gz NBWVTUMZDNZFFK-NWDGAFQWSA-N 1 0 409.284 2.621 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N(C)C(=O)OCC)cc1 ZINC000807359137 1080520115 /nfs/dbraw/zinc/52/01/15/1080520115.db2.gz SVNSPOXVSHDYOY-UHFFFAOYSA-N 1 0 418.538 2.942 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NCC3(C(F)(F)F)CC3)cc2)CC1 ZINC000807364257 1080525327 /nfs/dbraw/zinc/52/53/27/1080525327.db2.gz DGPDLTIRCMUKRB-UHFFFAOYSA-N 1 0 412.456 2.614 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2CCSCC2)c(C)c1 ZINC000807334086 1080533365 /nfs/dbraw/zinc/53/33/65/1080533365.db2.gz JRFFRHKJUTXPLT-UHFFFAOYSA-N 1 0 418.607 2.821 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000807334461 1080535225 /nfs/dbraw/zinc/53/52/25/1080535225.db2.gz ORKRUZKXHVSTBH-MUUNZHRXSA-N 1 0 419.469 2.587 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000807394349 1080560679 /nfs/dbraw/zinc/56/06/79/1080560679.db2.gz JXGAJZUIAHLQET-SFHVURJKSA-N 1 0 418.538 2.640 20 0 HFADRO CCOC(=O)C1=C(Nc2ccc(OC)cc2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001170522467 1080576890 /nfs/dbraw/zinc/57/68/90/1080576890.db2.gz LFADEKMDFRNOGZ-UHFFFAOYSA-N 1 0 409.486 2.929 20 0 HFADRO CCOC(=O)C1=C(Nc2cccc3c2CC(=O)NC3)CC[N@H+](Cc2ccccc2)C1 ZINC001170522668 1080583918 /nfs/dbraw/zinc/58/39/18/1080583918.db2.gz PXHCVYMAXDXYMJ-UHFFFAOYSA-N 1 0 405.498 2.994 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3cccc(Br)c3)CC2)C1 ZINC001170523508 1080591687 /nfs/dbraw/zinc/59/16/87/1080591687.db2.gz FMFNPKBFTZWSCC-RHSMWYFYSA-N 1 0 409.324 2.985 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000807400830 1080596590 /nfs/dbraw/zinc/59/65/90/1080596590.db2.gz FOAHBJIIJADXMV-XUWXXGDYSA-N 1 0 401.429 2.815 20 0 HFADRO C[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1)[C@H](c1ccccc1)[NH+](C)C ZINC000807402720 1080597822 /nfs/dbraw/zinc/59/78/22/1080597822.db2.gz LJSPOTSRSFKUMO-XFIJJGBISA-N 1 0 401.507 2.805 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)c1ccco1 ZINC000807441172 1080661783 /nfs/dbraw/zinc/66/17/83/1080661783.db2.gz BPWKLJDVJLRPOS-JKSUJKDBSA-N 1 0 407.584 2.917 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1)c1ccco1 ZINC000807441703 1080663256 /nfs/dbraw/zinc/66/32/56/1080663256.db2.gz NDIXLIHPQUGVSC-MLHJIOFPSA-N 1 0 405.495 2.836 20 0 HFADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC(F)(F)Br)cc2)C1 ZINC000807446146 1080666353 /nfs/dbraw/zinc/66/63/53/1080666353.db2.gz HZSSKAGLJRYOAP-GFCCVEGCSA-N 1 0 418.282 2.961 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCCN1C(=O)c2ccccc2C1=O ZINC000807492734 1080683813 /nfs/dbraw/zinc/68/38/13/1080683813.db2.gz BAIHPTZMJZCYAC-UHFFFAOYSA-N 1 0 408.502 2.576 20 0 HFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC1 ZINC000807504757 1080705310 /nfs/dbraw/zinc/70/53/10/1080705310.db2.gz RNSMHOIYMLLNJV-VWLOTQADSA-N 1 0 423.557 2.523 20 0 HFADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)no1 ZINC000807542889 1080759329 /nfs/dbraw/zinc/75/93/29/1080759329.db2.gz GJTFUEMRPZABPH-HNAYVOBHSA-N 1 0 419.485 2.763 20 0 HFADRO CN(C)c1ccc(C2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000807554311 1080802963 /nfs/dbraw/zinc/80/29/63/1080802963.db2.gz FNGJEISEISHROE-UHFFFAOYSA-N 1 0 412.578 2.592 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554380 1080803265 /nfs/dbraw/zinc/80/32/65/1080803265.db2.gz TWRHDXLVJYLNTC-NPPFBWRTSA-N 1 0 424.586 2.528 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000807558325 1080808939 /nfs/dbraw/zinc/80/89/39/1080808939.db2.gz AJPYQGUTQHKFMM-IBGZPJMESA-N 1 0 416.953 2.932 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000807559258 1080811568 /nfs/dbraw/zinc/81/15/68/1080811568.db2.gz OMAUGVSPPKBHON-UHFFFAOYSA-N 1 0 406.958 2.774 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807558752 1080812886 /nfs/dbraw/zinc/81/28/86/1080812886.db2.gz GPPVPMGPCAIGCD-FUHWJXTLSA-N 1 0 414.937 2.686 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000807560926 1080816689 /nfs/dbraw/zinc/81/66/89/1080816689.db2.gz XLLFJPZBEFUOQV-IBGZPJMESA-N 1 0 414.937 2.686 20 0 HFADRO CN(C)Cc1cnc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001461634933 1126195439 /nfs/dbraw/zinc/19/54/39/1126195439.db2.gz SNFJUQPRYZENQU-GOSISDBHSA-N 1 0 410.381 2.977 20 0 HFADRO Cn1cc(-c2cc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)on2)cn1 ZINC001559998309 1126207258 /nfs/dbraw/zinc/20/72/58/1126207258.db2.gz ZUDYNBLQJNFLKJ-IBGZPJMESA-N 1 0 417.307 2.847 20 0 HFADRO O=C1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)CC2(CC[NH2+]CC2)N1 ZINC001164388369 718808957 /nfs/dbraw/zinc/80/89/57/718808957.db2.gz CDUQMGSIDDYNOL-UHFFFAOYSA-N 1 0 416.259 2.540 20 0 HFADRO FC(F)(c1nc(Cl)c2ccccc2n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416210 718884884 /nfs/dbraw/zinc/88/48/84/718884884.db2.gz UQJCTKIPTKXSLJ-UHFFFAOYSA-N 1 0 405.840 2.519 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164617226 719006576 /nfs/dbraw/zinc/00/65/76/719006576.db2.gz NFNFYPIUUZSUDB-ACJLOTCBSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164618306 719007805 /nfs/dbraw/zinc/00/78/05/719007805.db2.gz SDVFMCSRSUKDKU-ACJLOTCBSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)N3CCCC3)CC2)CC1 ZINC001164613987 719020758 /nfs/dbraw/zinc/02/07/58/719020758.db2.gz AZMQAFJNVJLKAN-UHFFFAOYSA-N 1 0 414.550 2.562 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CCCCC4)nn3)CC2)CC1 ZINC001164620295 719020961 /nfs/dbraw/zinc/02/09/61/719020961.db2.gz YEPUIUJQNYUNLU-UHFFFAOYSA-N 1 0 401.555 2.711 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4cccnc43)CC2)CC1 ZINC001164614321 719023204 /nfs/dbraw/zinc/02/32/04/719023204.db2.gz RFYQMWPVHIRIFY-UHFFFAOYSA-N 1 0 403.914 2.922 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(OCC)ccc3C(=O)OC)CC2)CC1 ZINC001164618673 719028259 /nfs/dbraw/zinc/02/82/59/719028259.db2.gz ZMPFTFJVQUQRFK-UHFFFAOYSA-N 1 0 419.522 2.511 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccnc(N4CCCCC4)n3)CC2)CC1 ZINC001164617182 719031570 /nfs/dbraw/zinc/03/15/70/719031570.db2.gz JDLWVGBLKRRFDK-UHFFFAOYSA-N 1 0 401.555 2.711 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)CC1 ZINC001164617090 719032063 /nfs/dbraw/zinc/03/20/63/719032063.db2.gz GLFRKUYWGHDUCK-UHFFFAOYSA-N 1 0 415.582 2.957 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)OC(C)C)CC2)CC1 ZINC001164618608 719034707 /nfs/dbraw/zinc/03/47/07/719034707.db2.gz VOKYOODXPNIWFG-UHFFFAOYSA-N 1 0 403.523 2.891 20 0 HFADRO NC(=O)c1ccc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1Cl ZINC001164621281 719043990 /nfs/dbraw/zinc/04/39/90/719043990.db2.gz IEWXDRDGYIRHEE-HNAYVOBHSA-N 1 0 406.864 2.962 20 0 HFADRO CC(C)C[NH+]1CCN(c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001164653437 719334980 /nfs/dbraw/zinc/33/49/80/719334980.db2.gz CMUJRFTUFFOJSQ-UHFFFAOYSA-N 1 0 421.589 2.818 20 0 HFADRO COc1cc2c(cc1Cl)ncnc2-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684730 719623695 /nfs/dbraw/zinc/62/36/95/719623695.db2.gz XBXNQVZRXUKFGM-UHFFFAOYSA-N 1 0 400.914 2.963 20 0 HFADRO COc1cccc(Oc2cncc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164684801 719631594 /nfs/dbraw/zinc/63/15/94/719631594.db2.gz XTZLWNBRGRTYRJ-UHFFFAOYSA-N 1 0 408.506 2.949 20 0 HFADRO COc1cncnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682134 719662784 /nfs/dbraw/zinc/66/27/84/719662784.db2.gz SMHSSVRHQMGKJB-GOSISDBHSA-N 1 0 423.561 2.579 20 0 HFADRO CCc1nc2sc3c(c2c(N2CCC4(CCC[N@@H+]4CC(=O)NC)CC2)n1)CCC3 ZINC001164689601 719739392 /nfs/dbraw/zinc/73/93/92/719739392.db2.gz IYRUDFRROBPMKL-UHFFFAOYSA-N 1 0 413.591 2.923 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164689524 719739617 /nfs/dbraw/zinc/73/96/17/719739617.db2.gz GGMPMCOPQYLFIZ-UHFFFAOYSA-N 1 0 416.529 2.873 20 0 HFADRO Cn1cc([C@H]2COC3(C2)CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)cn1 ZINC001164699618 719826271 /nfs/dbraw/zinc/82/62/71/719826271.db2.gz YFTRNDNSSARAAE-LJQANCHMSA-N 1 0 411.550 2.833 20 0 HFADRO COC(=O)c1cc(F)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694860 719887000 /nfs/dbraw/zinc/88/70/00/719887000.db2.gz FQNRKTDCLRBUPO-UHFFFAOYSA-N 1 0 405.495 2.940 20 0 HFADRO O=c1ccccn1-c1nccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164705453 719899460 /nfs/dbraw/zinc/89/94/60/719899460.db2.gz BXNFNNFOVPOHLO-UHFFFAOYSA-N 1 0 423.542 2.560 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3ccc(C(=O)OC)cc3n1)C2 ZINC001164815712 720082593 /nfs/dbraw/zinc/08/25/93/720082593.db2.gz ZERJTXFCXAYCAJ-WMZHIEFXSA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cnccc31)CC2 ZINC001164711088 720102073 /nfs/dbraw/zinc/10/20/73/720102073.db2.gz OAEMXTKXCWBQPR-IBGZPJMESA-N 1 0 404.518 2.927 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)cc(OC)c31)C2 ZINC001164807400 720126028 /nfs/dbraw/zinc/12/60/28/720126028.db2.gz CGHPLMDRIBSUKU-HXOBKFHXSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(F)c(OC)cc31)C2 ZINC001164813890 720142781 /nfs/dbraw/zinc/14/27/81/720142781.db2.gz RMFXCFZIOKTKRA-KSFYIVLOSA-N 1 0 400.498 2.962 20 0 HFADRO COc1cccc2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc21 ZINC001164715908 720173448 /nfs/dbraw/zinc/17/34/48/720173448.db2.gz DJPRJXOIMPWKKT-IBGZPJMESA-N 1 0 422.533 2.588 20 0 HFADRO Cn1nnc2c1CCN(c1cc(Cl)nc3c1CCC3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717799 720174273 /nfs/dbraw/zinc/17/42/73/720174273.db2.gz MMZTZDRRWIPBAH-LJQANCHMSA-N 1 0 416.957 2.568 20 0 HFADRO Cc1cccc2c1ccnc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719138 720182605 /nfs/dbraw/zinc/18/26/05/720182605.db2.gz SKYXAJHGIWHEOS-NRFANRHFSA-N 1 0 406.534 2.888 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164817168 720188765 /nfs/dbraw/zinc/18/87/65/720188765.db2.gz OJIOFZOVWAQHFR-ORAYPTAESA-N 1 0 423.348 2.911 20 0 HFADRO CCc1cc2c(ccnc2N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)o1 ZINC001164718502 720205192 /nfs/dbraw/zinc/20/51/92/720205192.db2.gz MNDLSSIAJJHVPP-IBGZPJMESA-N 1 0 410.522 2.735 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CCCC3)CCC2 ZINC001164810181 720216420 /nfs/dbraw/zinc/21/64/20/720216420.db2.gz AEUBCKNHDZSRRA-UHFFFAOYSA-N 1 0 416.957 2.816 20 0 HFADRO COc1ccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c(C)nc2c1 ZINC001164812623 720239894 /nfs/dbraw/zinc/23/98/94/720239894.db2.gz HEBUVZATTFSJSQ-UHFFFAOYSA-N 1 0 422.533 2.754 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3[nH]ccc32)CC1 ZINC001164817296 720287018 /nfs/dbraw/zinc/28/70/18/720287018.db2.gz CFDFRZAJJHSIPD-HOTGVXAUSA-N 1 0 402.930 2.523 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824500 720289678 /nfs/dbraw/zinc/28/96/78/720289678.db2.gz RFXOTULUGAFMSE-LSDHHAIUSA-N 1 0 409.987 2.763 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)nc2)CC1 ZINC001164818910 720301864 /nfs/dbraw/zinc/30/18/64/720301864.db2.gz BNIQJLUYZUVOQQ-HZPDHXFCSA-N 1 0 413.900 2.586 20 0 HFADRO COc1cccc2c1ncnc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825326 720303396 /nfs/dbraw/zinc/30/33/96/720303396.db2.gz TUWKFMLGQNDTHT-RBUKOAKNSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CCCC3)CC1 ZINC001164826065 720303805 /nfs/dbraw/zinc/30/38/05/720303805.db2.gz VEIOCJZSKGXDKA-OALUTQOASA-N 1 0 417.985 2.920 20 0 HFADRO Cc1nc2ccc(F)cc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825982 720307012 /nfs/dbraw/zinc/30/70/12/720307012.db2.gz UWNFYQNCHKCOAE-SFTDATJTSA-N 1 0 411.525 2.989 20 0 HFADRO COc1ccc2ncc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164826323 720319096 /nfs/dbraw/zinc/31/90/96/720319096.db2.gz GEQLPTQYWIACKW-SFTDATJTSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(OC(C)(C)C)n2)CC1 ZINC001164830911 720320185 /nfs/dbraw/zinc/32/01/85/720320185.db2.gz QMPPZCFPOXEKQD-MSOLQXFVSA-N 1 0 401.555 2.565 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3cc(Cl)cnc32)CC1 ZINC001164828498 720324695 /nfs/dbraw/zinc/32/46/95/720324695.db2.gz JWXAJBRUZGLANN-QZTJIDSGSA-N 1 0 414.941 2.590 20 0 HFADRO COc1ccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(C)nc2c1 ZINC001164827489 720343661 /nfs/dbraw/zinc/34/36/61/720343661.db2.gz MGIXKODSNSMZFQ-YADHBBJMSA-N 1 0 423.561 2.858 20 0 HFADRO CCCSc1cncc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164821554 720344237 /nfs/dbraw/zinc/34/42/37/720344237.db2.gz AWVCVIIHAFCYQV-MSOLQXFVSA-N 1 0 403.596 2.890 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccnc(Cc3ccccc3)n2)CC1 ZINC001164827464 720344901 /nfs/dbraw/zinc/34/49/01/720344901.db2.gz LRNQIMJQAKFRIA-YADHBBJMSA-N 1 0 419.573 2.979 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823479 720344947 /nfs/dbraw/zinc/34/49/47/720344947.db2.gz GIVLXILAFOKCSC-FGZHOGPDSA-N 1 0 420.561 2.759 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827890 720350957 /nfs/dbraw/zinc/35/09/57/720350957.db2.gz NASZRYCHPDJQJS-UXHICEINSA-N 1 0 414.550 2.558 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3c4c([nH]c32)CCC4)CC1 ZINC001164830215 720351953 /nfs/dbraw/zinc/35/19/53/720351953.db2.gz VOLQJJMXBGEZQH-LEWJYISDSA-N 1 0 407.562 2.963 20 0 HFADRO Cc1nc(CN2CCN(C)C3(CCN(c4[nH+]c(C)cc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164821134 720372797 /nfs/dbraw/zinc/37/27/97/720372797.db2.gz WYTNYAGROCTTQN-UHFFFAOYSA-N 1 0 424.574 2.949 20 0 HFADRO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729511 720480542 /nfs/dbraw/zinc/48/05/42/720480542.db2.gz RJOFUQCDKLDNDR-BRWVUGGUSA-N 1 0 401.898 2.546 20 0 HFADRO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729515 720480907 /nfs/dbraw/zinc/48/09/07/720480907.db2.gz RJOFUQCDKLDNDR-IXDOHACOSA-N 1 0 401.898 2.546 20 0 HFADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164731552 720482927 /nfs/dbraw/zinc/48/29/27/720482927.db2.gz WKTIRMRBEWZHIK-FVQBIDKESA-N 1 0 401.898 2.655 20 0 HFADRO C[N@H+](Cc1ccc(N2CC[C@@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)nc1)C1CC1 ZINC001164727606 720503128 /nfs/dbraw/zinc/50/31/28/720503128.db2.gz NOYXLQAYKTWENL-NZQKXSOJSA-N 1 0 407.518 2.695 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]21 ZINC001164840621 720506704 /nfs/dbraw/zinc/50/67/04/720506704.db2.gz WWOPXMGMPDEXAU-URVUXULASA-N 1 0 422.577 2.892 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4nc[nH]c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835300 720508971 /nfs/dbraw/zinc/50/89/71/720508971.db2.gz JTSKAXXQZPGAJL-QLFBSQMISA-N 1 0 400.918 2.581 20 0 HFADRO COc1cc2nc(Cl)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2cc1OC ZINC001164729969 720511832 /nfs/dbraw/zinc/51/18/32/720511832.db2.gz PBORPXKDQDTBGZ-CYBMUJFWSA-N 1 0 416.913 2.695 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(C(=O)OCc3ccccc3)cn2)C1 ZINC001164734897 720527016 /nfs/dbraw/zinc/52/70/16/720527016.db2.gz SXTHXOIYCKRQRE-IBGZPJMESA-N 1 0 405.502 2.833 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164734135 720549807 /nfs/dbraw/zinc/54/98/07/720549807.db2.gz VXHYVQXPFDXCKZ-UHFFFAOYSA-N 1 0 403.914 2.767 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(N(C)C)n3)CC[C@@H]21 ZINC001164833607 720552860 /nfs/dbraw/zinc/55/28/60/720552860.db2.gz APCPKJJISSTEDQ-IKGGRYGDSA-N 1 0 403.962 2.770 20 0 HFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736638 720576955 /nfs/dbraw/zinc/57/69/55/720576955.db2.gz PTXWTEYFTLAJPG-SNAWJCMRSA-N 1 0 420.517 2.604 20 0 HFADRO Clc1nc2c(Cl)ncnc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164736750 720590362 /nfs/dbraw/zinc/59/03/62/720590362.db2.gz SNTLREATCAACIA-UHFFFAOYSA-N 1 0 419.320 2.582 20 0 HFADRO CCCNC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164837154 720609799 /nfs/dbraw/zinc/60/97/99/720609799.db2.gz HHOJFJLNCBUQPB-PCCBWWKXSA-N 1 0 410.566 2.796 20 0 HFADRO Fc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164738134 720629786 /nfs/dbraw/zinc/62/97/86/720629786.db2.gz AJKUNXLIIJFRLD-UONOGXRCSA-N 1 0 400.845 2.554 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2c1ccn2C ZINC001164843584 720639748 /nfs/dbraw/zinc/63/97/48/720639748.db2.gz YIWLWPLBFAHHCM-JENIJYKNSA-N 1 0 409.538 2.551 20 0 HFADRO Fc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738996 720667752 /nfs/dbraw/zinc/66/77/52/720667752.db2.gz LWMCPIZPCJNOPM-QWHCGFSZSA-N 1 0 400.845 2.554 20 0 HFADRO CCOC(=O)c1ccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164837025 720670392 /nfs/dbraw/zinc/67/03/92/720670392.db2.gz AVDAEAPYRVQXBW-LJQANCHMSA-N 1 0 410.518 2.913 20 0 HFADRO CSc1nc2ccsc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164738454 720686204 /nfs/dbraw/zinc/68/62/04/720686204.db2.gz JVDZUPPROAUPRS-CHWSQXEVSA-N 1 0 400.533 2.545 20 0 HFADRO CCOC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001164839662 720686796 /nfs/dbraw/zinc/68/67/96/720686796.db2.gz BAVXPSYHDOWODV-IBGZPJMESA-N 1 0 410.518 2.913 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CCCCC2 ZINC001164740626 720688559 /nfs/dbraw/zinc/68/85/59/720688559.db2.gz REFJJAXGGDAHKR-CABCVRRESA-N 1 0 400.914 2.531 20 0 HFADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc21 ZINC001164737118 720691371 /nfs/dbraw/zinc/69/13/71/720691371.db2.gz DMOYOSFNLLVTNT-DLBZAZTESA-N 1 0 419.485 2.543 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164839743 720710955 /nfs/dbraw/zinc/71/09/55/720710955.db2.gz MSMULGOBPMUUMY-QFIPXVFZSA-N 1 0 418.545 2.981 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164840906 720721918 /nfs/dbraw/zinc/72/19/18/720721918.db2.gz SGMYEZZLJWOJAC-IBGZPJMESA-N 1 0 411.575 2.997 20 0 HFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741500 720750431 /nfs/dbraw/zinc/75/04/31/720750431.db2.gz MRVWXMIDTUCESH-LSDHHAIUSA-N 1 0 413.913 2.798 20 0 HFADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164739305 720757965 /nfs/dbraw/zinc/75/79/65/720757965.db2.gz IDEYOISCGKFOPK-LSDHHAIUSA-N 1 0 408.531 2.620 20 0 HFADRO CCOc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738629 720780685 /nfs/dbraw/zinc/78/06/85/720780685.db2.gz GMPPSIQQIJOTSH-ICSRJNTNSA-N 1 0 418.501 2.674 20 0 HFADRO Fc1cccc(F)c1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738237 720781431 /nfs/dbraw/zinc/78/14/31/720781431.db2.gz FGZVOCSWLKDDHZ-HUUCEWRRSA-N 1 0 410.428 2.554 20 0 HFADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746072 720802315 /nfs/dbraw/zinc/80/23/15/720802315.db2.gz LROHXTKCNSELKE-JKSUJKDBSA-N 1 0 400.914 2.838 20 0 HFADRO Clc1nc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C2CC2)n1 ZINC001164746631 720803898 /nfs/dbraw/zinc/80/38/98/720803898.db2.gz MCXCKNPPTUQEGB-OLZOCXBDSA-N 1 0 407.305 2.793 20 0 HFADRO Clc1nc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742369 720809178 /nfs/dbraw/zinc/80/91/78/720809178.db2.gz CYALROXLJJMMGK-YQQAZPJKSA-N 1 0 412.929 2.582 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2cnccc12 ZINC001164745593 720815256 /nfs/dbraw/zinc/81/52/56/720815256.db2.gz WYUPPMUIYBYVED-TXPKVOOTSA-N 1 0 424.940 2.649 20 0 HFADRO COc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164739754 720817971 /nfs/dbraw/zinc/81/79/71/720817971.db2.gz IHVDUJRMJYNUOW-NJNPRVFISA-N 1 0 419.533 2.609 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@@H](C(=O)N4CCCO4)CC[C@H]32)nc1 ZINC001164847290 720822736 /nfs/dbraw/zinc/82/27/36/720822736.db2.gz IRMUWUIIWCKSDT-MXEMCNAFSA-N 1 0 414.550 2.919 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@@H]32)nc1 ZINC001164847285 720822891 /nfs/dbraw/zinc/82/28/91/720822891.db2.gz IRMUWUIIWCKSDT-ANULTFPQSA-N 1 0 414.550 2.919 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3O[C@H](C(=O)N4CCCO4)CC[C@H]32)nc1 ZINC001164847286 720822980 /nfs/dbraw/zinc/82/29/80/720822980.db2.gz IRMUWUIIWCKSDT-CGXNFDGLSA-N 1 0 414.550 2.919 20 0 HFADRO Fc1ccc2ncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164738791 720824520 /nfs/dbraw/zinc/82/45/20/720824520.db2.gz GRLUQMSHCAVTGO-HGHGUNKESA-N 1 0 407.497 2.740 20 0 HFADRO COc1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739331 720832740 /nfs/dbraw/zinc/83/27/40/720832740.db2.gz AAVBSKWGVRNVOJ-BRWVUGGUSA-N 1 0 402.930 2.715 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@@H]2C1 ZINC001164855253 720834219 /nfs/dbraw/zinc/83/42/19/720834219.db2.gz SYVUSFPMECLQQH-DGCLKSJQSA-N 1 0 411.280 2.502 20 0 HFADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164747700 720838229 /nfs/dbraw/zinc/83/82/29/720838229.db2.gz RJDCLHIPYRLFBZ-TXPKVOOTSA-N 1 0 402.930 2.715 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@H](C)C5)CC[C@H]2C1 ZINC001164852747 720853270 /nfs/dbraw/zinc/85/32/70/720853270.db2.gz FPKFRLDTBULVSM-XYJFISCASA-N 1 0 416.591 2.990 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@@H]2C1 ZINC001164854991 720855946 /nfs/dbraw/zinc/85/59/46/720855946.db2.gz LYKHEWWKABUVQL-APWZRJJASA-N 1 0 402.926 2.971 20 0 HFADRO CCc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)nc1C ZINC001164748130 720859907 /nfs/dbraw/zinc/85/99/07/720859907.db2.gz KJMZNHBVGAUBCX-JENIJYKNSA-N 1 0 415.973 2.972 20 0 HFADRO CN(C)c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164751517 720869808 /nfs/dbraw/zinc/86/98/08/720869808.db2.gz KRVKELMKNBAFPF-QPPBQGQZSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC[C@H]2C1 ZINC001164864473 720871751 /nfs/dbraw/zinc/87/17/51/720871751.db2.gz VWXYKBZZOMWXRD-WMZOPIPTSA-N 1 0 406.527 2.602 20 0 HFADRO CN(C)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164748032 720872758 /nfs/dbraw/zinc/87/27/58/720872758.db2.gz DMUQVXCOEWWDEW-QPPBQGQZSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC[C@H]2C1 ZINC001164864706 720878001 /nfs/dbraw/zinc/87/80/01/720878001.db2.gz WOUPVBHLSWPDCS-OALUTQOASA-N 1 0 423.517 2.767 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@H]2C1 ZINC001164857631 720881509 /nfs/dbraw/zinc/88/15/09/720881509.db2.gz KCDNWITWBTVRLY-HNAYVOBHSA-N 1 0 404.461 2.595 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(SCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164857408 720885638 /nfs/dbraw/zinc/88/56/38/720885638.db2.gz JNAJPLJGENMEIV-UXHICEINSA-N 1 0 414.575 2.942 20 0 HFADRO Cc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164753117 720931202 /nfs/dbraw/zinc/93/12/02/720931202.db2.gz PWDXVZKNRIESJZ-JTHBVZDNSA-N 1 0 408.550 2.639 20 0 HFADRO CCOC(=O)c1cc(Cl)nnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856200 720940879 /nfs/dbraw/zinc/94/08/79/720940879.db2.gz CQHCFUMUYFRUIQ-CYBMUJFWSA-N 1 0 406.918 2.925 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164755159 720944287 /nfs/dbraw/zinc/94/42/87/720944287.db2.gz ZFBIDYNQQQOALU-UHFFFAOYSA-N 1 0 417.872 2.869 20 0 HFADRO Cc1nc(C2CCCCC2)cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164750173 720961992 /nfs/dbraw/zinc/96/19/92/720961992.db2.gz KJPWJVCARKIBAL-UHFFFAOYSA-N 1 0 412.538 2.675 20 0 HFADRO CCOC(=O)c1cnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(OC)c1 ZINC001164856378 720976419 /nfs/dbraw/zinc/97/64/19/720976419.db2.gz BZOLJYRPPVGXDL-OAHLLOKOSA-N 1 0 401.511 2.885 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCSCC3)ncn1)[C@H]2C ZINC001164858086 721014108 /nfs/dbraw/zinc/01/41/08/721014108.db2.gz GBNZYRBOJKXWJQ-INIZCTEOSA-N 1 0 401.584 2.648 20 0 HFADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1Cl ZINC001164869072 721053459 /nfs/dbraw/zinc/05/34/59/721053459.db2.gz RHWBJPBBVITXTL-SJORKVTESA-N 1 0 416.909 2.786 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CSCC2 ZINC001164866310 721056804 /nfs/dbraw/zinc/05/68/04/721056804.db2.gz DVIBEAZVDBTLFF-HOTGVXAUSA-N 1 0 417.966 2.794 20 0 HFADRO COc1ccc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164762489 721072807 /nfs/dbraw/zinc/07/28/07/721072807.db2.gz FDGWUQQNEMPXKX-CVEARBPZSA-N 1 0 412.925 2.984 20 0 HFADRO Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164871413 721073026 /nfs/dbraw/zinc/07/30/26/721073026.db2.gz YQDXSPJGZGJMKL-HZPDHXFCSA-N 1 0 409.868 2.858 20 0 HFADRO COC(=O)c1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001164863520 721079245 /nfs/dbraw/zinc/07/92/45/721079245.db2.gz CNZOYPXFVNVFGN-LEWJYISDSA-N 1 0 418.497 2.896 20 0 HFADRO COCc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164766590 721081734 /nfs/dbraw/zinc/08/17/34/721081734.db2.gz KWQUWFHSYIQQHF-RTWAWAEBSA-N 1 0 418.545 2.982 20 0 HFADRO CSc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CCCC2 ZINC001164865689 721082637 /nfs/dbraw/zinc/08/26/37/721082637.db2.gz OHJXBGZDEBHIJD-ZWKOTPCHSA-N 1 0 411.575 2.952 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)NC4CCCCC4)C[C@@H]3C2)cn1 ZINC001164761068 721083207 /nfs/dbraw/zinc/08/32/07/721083207.db2.gz AOILROVWJLRRHZ-UXHICEINSA-N 1 0 422.577 2.836 20 0 HFADRO c1ccc(COc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864030 721086209 /nfs/dbraw/zinc/08/62/09/721086209.db2.gz DNPNUIGTRIOHJE-FGZHOGPDSA-N 1 0 417.513 2.930 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4COC5(C)C)C[C@H]3C2)cn1 ZINC001164768377 721103161 /nfs/dbraw/zinc/10/31/61/721103161.db2.gz NAPUBYFOEYHQNP-LSDHHAIUSA-N 1 0 402.930 2.587 20 0 HFADRO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH]c-2n1 ZINC001164865606 721113811 /nfs/dbraw/zinc/11/38/11/721113811.db2.gz NKMATTKCJZXNIP-MOPGFXCFSA-N 1 0 421.501 2.614 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164769164 721122603 /nfs/dbraw/zinc/12/26/03/721122603.db2.gz PRFWRWWXQUXJST-CVEARBPZSA-N 1 0 411.884 2.894 20 0 HFADRO COc1cccc2c1nc(Cl)nc2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762082 721128533 /nfs/dbraw/zinc/12/85/33/721128533.db2.gz BVIQFHWHFLTZHA-CVEARBPZSA-N 1 0 412.925 2.984 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1OC ZINC001164873660 721135304 /nfs/dbraw/zinc/13/53/04/721135304.db2.gz JWHKUJQEBRRSNQ-HOTGVXAUSA-N 1 0 401.898 2.656 20 0 HFADRO COc1cccc2nc(Cl)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c21 ZINC001164761662 721145790 /nfs/dbraw/zinc/14/57/90/721145790.db2.gz ACUAETIEKLXFAS-HZPDHXFCSA-N 1 0 412.925 2.984 20 0 HFADRO CC1CCN(c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164877649 721147868 /nfs/dbraw/zinc/14/78/68/721147868.db2.gz POKVEQCTTURBDF-LEWJYISDSA-N 1 0 408.550 2.588 20 0 HFADRO COc1cc2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2cc1OC ZINC001164763455 721155102 /nfs/dbraw/zinc/15/51/02/721155102.db2.gz GBQPUVBUEDHUGR-RBUKOAKNSA-N 1 0 407.518 2.944 20 0 HFADRO Fc1cccc(-c2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876453 721157658 /nfs/dbraw/zinc/15/76/58/721157658.db2.gz MNKKMEVTEWSMAJ-PMACEKPBSA-N 1 0 406.465 2.552 20 0 HFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(C)nc2c1 ZINC001164880457 721161440 /nfs/dbraw/zinc/16/14/40/721161440.db2.gz WTTDJFYPSNXOEF-UYAOXDASSA-N 1 0 405.502 2.822 20 0 HFADRO CCCSc1ncnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1OC ZINC001164866456 721189475 /nfs/dbraw/zinc/18/94/75/721189475.db2.gz ASRWUTOCDKSWDX-ZWKOTPCHSA-N 1 0 415.563 2.862 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@@H]3C2)cn1 ZINC001164764282 721204780 /nfs/dbraw/zinc/20/47/80/721204780.db2.gz GZUNHKRVABYRLR-GJZGRUSLSA-N 1 0 422.911 2.855 20 0 HFADRO COc1ccccc1-c1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761441 721210476 /nfs/dbraw/zinc/21/04/76/721210476.db2.gz BAHPIWODYGENPC-RBUKOAKNSA-N 1 0 404.518 2.844 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4ncn5-c4ccccc4)C[C@H]3C2)cn1 ZINC001164761905 721228911 /nfs/dbraw/zinc/22/89/11/721228911.db2.gz JZWGFWJBJBENGD-RTBURBONSA-N 1 0 414.517 2.507 20 0 HFADRO Cc1nc(C)c(-c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)s1 ZINC001164761883 721229787 /nfs/dbraw/zinc/22/97/87/721229787.db2.gz JSAONBFECJYINF-QZTJIDSGSA-N 1 0 409.563 2.909 20 0 HFADRO Fc1ccccc1N1CCN(c2cc(N3CC4(C3)CC[N@H+](CC3CC3)C4)ncn2)CC1 ZINC001164768832 721299806 /nfs/dbraw/zinc/29/98/06/721299806.db2.gz HQTMNJYDWFGVPZ-UHFFFAOYSA-N 1 0 422.552 2.864 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4[nH]ccc43)C2)C1 ZINC001164777392 721341136 /nfs/dbraw/zinc/34/11/36/721341136.db2.gz GPCNKKUTVRRXGQ-JOCHJYFZSA-N 1 0 410.522 2.990 20 0 HFADRO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2C1 ZINC001164885916 721351268 /nfs/dbraw/zinc/35/12/68/721351268.db2.gz QUOULNZBBBQSTM-FCHUYYIVSA-N 1 0 406.530 2.655 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5)nn4)C3)O2)CC1 ZINC001164889203 721391441 /nfs/dbraw/zinc/39/14/41/721391441.db2.gz KXLOLHOPNWCCHS-QPPBQGQZSA-N 1 0 407.562 2.909 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CCCC5)C3)O2)CC1 ZINC001164894528 721393592 /nfs/dbraw/zinc/39/35/92/721393592.db2.gz YUSGRXPVDWJKCA-VGOFRKELSA-N 1 0 420.001 2.774 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CCCC5)C3)O2)CC1 ZINC001164894526 721393873 /nfs/dbraw/zinc/39/38/73/721393873.db2.gz YUSGRXPVDWJKCA-HTAPYJJXSA-N 1 0 420.001 2.774 20 0 HFADRO CCOc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889919 721408576 /nfs/dbraw/zinc/40/85/76/721408576.db2.gz RVOVGLWRUZTXLG-UWJYYQICSA-N 1 0 408.974 2.899 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886339 721411024 /nfs/dbraw/zinc/41/10/24/721411024.db2.gz JCZVZOWCARBDFN-BEFAXECRSA-N 1 0 412.003 2.617 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nnc(Cl)c5ccoc54)C3)O2)CC1 ZINC001164890524 721423691 /nfs/dbraw/zinc/42/36/91/721423691.db2.gz SYZGYTBWPBXIQJ-YWZLYKJASA-N 1 0 405.930 2.642 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893642 721430005 /nfs/dbraw/zinc/43/00/05/721430005.db2.gz JSERHHUKSGDGIE-BEFAXECRSA-N 1 0 412.003 2.617 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)ccn1)CC2 ZINC001164786919 721450793 /nfs/dbraw/zinc/45/07/93/721450793.db2.gz ORSYKAPXQSFWRG-HXUWFJFHSA-N 1 0 417.550 2.602 20 0 HFADRO CSc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(SC)n1 ZINC001164892030 721450927 /nfs/dbraw/zinc/45/09/27/721450927.db2.gz VWCCHPFGYFLEDH-JXFKEZNVSA-N 1 0 423.652 2.686 20 0 HFADRO CCOc1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nn1 ZINC001164787701 721451352 /nfs/dbraw/zinc/45/13/52/721451352.db2.gz PRNVVALCKGTLGD-IBGZPJMESA-N 1 0 404.555 2.609 20 0 HFADRO CCc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(Cl)nc1C ZINC001164886551 721451767 /nfs/dbraw/zinc/45/17/67/721451767.db2.gz HHGYERHFAZIJAC-DYESRHJHSA-N 1 0 407.990 2.766 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(Cl)[n+]1[O-])CC2 ZINC001164785642 721457352 /nfs/dbraw/zinc/45/73/52/721457352.db2.gz MIPLDTLWRMZFBZ-GOSISDBHSA-N 1 0 409.958 2.707 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164786796 721459586 /nfs/dbraw/zinc/45/95/86/721459586.db2.gz PLGGVBBRLDOHFF-FQEVSTJZSA-N 1 0 416.566 2.774 20 0 HFADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCCC1 ZINC001164900323 721509735 /nfs/dbraw/zinc/50/97/35/721509735.db2.gz QDORNYYDWAHWKU-QUCCMNQESA-N 1 0 410.493 2.799 20 0 HFADRO COC(=O)c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164896362 721516935 /nfs/dbraw/zinc/51/69/35/721516935.db2.gz BDWIYPYTXSBEOX-PKOBYXMFSA-N 1 0 422.460 2.897 20 0 HFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[N@@H+]3C2)c1 ZINC001164902152 721518797 /nfs/dbraw/zinc/51/87/97/721518797.db2.gz ZRDTXIWMTOVVDH-SJLPKXTDSA-N 1 0 422.460 2.882 20 0 HFADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1Cl ZINC001164803828 721531341 /nfs/dbraw/zinc/53/13/41/721531341.db2.gz JJNITTYNCMEZCJ-CMKODMSKSA-N 1 0 416.909 2.785 20 0 HFADRO O=C(c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164907338 721545080 /nfs/dbraw/zinc/54/50/80/721545080.db2.gz MYPFDAVEZILAHJ-TZIWHRDSSA-N 1 0 410.493 2.799 20 0 HFADRO O=c1ccccn1Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164911299 721556203 /nfs/dbraw/zinc/55/62/03/721556203.db2.gz YSSCFUNVBRUZTM-UNMCSNQZSA-N 1 0 420.488 2.773 20 0 HFADRO [O-][n+]1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1Cl ZINC001164911274 721567274 /nfs/dbraw/zinc/56/72/74/721567274.db2.gz YNIRAFBPPHDNNA-DOTOQJQBSA-N 1 0 413.827 2.999 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc-2n1 ZINC001164809420 721571305 /nfs/dbraw/zinc/57/13/05/721571305.db2.gz XETMFEDXMCQLPF-JAXLGGSGSA-N 1 0 421.501 2.613 20 0 HFADRO CC1CCN(c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)CC1 ZINC001164802566 721579577 /nfs/dbraw/zinc/57/95/77/721579577.db2.gz GKAPZHDVXMKIKT-AWRGLXIESA-N 1 0 422.577 2.976 20 0 HFADRO Fc1ccc(-c2nn(-c3ccc(CN4CCOCC4)cn3)c3c2CC[NH2+]CC3)cc1 ZINC001164798050 721597160 /nfs/dbraw/zinc/59/71/60/721597160.db2.gz ILFKQKNDJGLMQV-UHFFFAOYSA-N 1 0 407.493 2.594 20 0 HFADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ccc(C[NH+]3CCCC3)cn2)C1 ZINC001164809220 721606439 /nfs/dbraw/zinc/60/64/39/721606439.db2.gz ZGUFWFRSOOHEIC-HSZRJFAPSA-N 1 0 408.550 2.520 20 0 HFADRO CCOC(=O)c1cncc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906593 721701879 /nfs/dbraw/zinc/70/18/79/721701879.db2.gz NOHBUSQWMPWCBZ-HXUWFJFHSA-N 1 0 417.460 2.786 20 0 HFADRO NC(=S)Nc1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164909681 721731855 /nfs/dbraw/zinc/73/18/55/721731855.db2.gz CVFNNRQRUXBKOZ-LJQANCHMSA-N 1 0 418.517 2.870 20 0 HFADRO COc1cc2c(cc1Cl)ncnc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011959 721738808 /nfs/dbraw/zinc/73/88/08/721738808.db2.gz ZGAIFZPIUTUHOL-UHFFFAOYSA-N 1 0 417.941 2.815 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)ccc2CN2CCCC2)CC1 ZINC001165010109 721739625 /nfs/dbraw/zinc/73/96/25/721739625.db2.gz ANFPMGRGERLDAR-UHFFFAOYSA-N 1 0 420.001 2.854 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001165015422 721759963 /nfs/dbraw/zinc/75/99/63/721759963.db2.gz QDSYNXCQNIVVNZ-UHFFFAOYSA-N 1 0 415.925 2.767 20 0 HFADRO c1cncc(O[C@H]2CO[C@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)c1 ZINC001164916917 721806529 /nfs/dbraw/zinc/80/65/29/721806529.db2.gz SDXZPDJYBZCSHU-NFBKMPQASA-N 1 0 410.518 2.768 20 0 HFADRO Cc1nc(CN2CCOC[C@]3(CN(c4cc5[nH]ccc5c(C)[nH+]4)CCO3)C2)cs1 ZINC001164922261 721831193 /nfs/dbraw/zinc/83/11/93/721831193.db2.gz NPUDOMWAGRJELD-OAQYLSRUSA-N 1 0 413.547 2.744 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3c2[C@H](C)C(=O)N3)CC1 ZINC001165022006 721841531 /nfs/dbraw/zinc/84/15/31/721841531.db2.gz MBFAOZSIYDBLBM-AWEZNQCLSA-N 1 0 411.506 2.650 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927976 721870887 /nfs/dbraw/zinc/87/08/87/721870887.db2.gz XQJJXJNLFUAKPJ-JKSUJKDBSA-N 1 0 406.893 2.671 20 0 HFADRO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)nc2C)cc1 ZINC001164931969 721886852 /nfs/dbraw/zinc/88/68/52/721886852.db2.gz GXELKADEYPUSSH-PKTZIBPZSA-N 1 0 409.578 2.907 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164935464 721889233 /nfs/dbraw/zinc/88/92/33/721889233.db2.gz WUKCMJUFDUYFAY-LSDHHAIUSA-N 1 0 417.888 2.587 20 0 HFADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c2[nH]cnc21 ZINC001165039062 721916852 /nfs/dbraw/zinc/91/68/52/721916852.db2.gz PZMWPISXOWQKPO-AWEZNQCLSA-N 1 0 402.499 2.606 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C[C@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001164940359 721919904 /nfs/dbraw/zinc/91/99/04/721919904.db2.gz ZMRXVCOMEDRFLY-UWJYYQICSA-N 1 0 407.942 2.843 20 0 HFADRO CCOC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)cn1 ZINC001164940889 721925196 /nfs/dbraw/zinc/92/51/96/721925196.db2.gz VWGGMNVTOSXWRP-UHFFFAOYSA-N 1 0 410.518 2.833 20 0 HFADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCC(C[NH+](C)C)CC3)c2c1C ZINC000052404205 721948821 /nfs/dbraw/zinc/94/88/21/721948821.db2.gz CMKSGSVXEPBJBY-UHFFFAOYSA-N 1 0 403.596 2.918 20 0 HFADRO Clc1cc(C2CC[NH2+]CC2)nc(N2CCN(CCOc3ccccc3)CC2)n1 ZINC001165045478 721954519 /nfs/dbraw/zinc/95/45/19/721954519.db2.gz VWOYSZRBAAGNQM-UHFFFAOYSA-N 1 0 401.942 2.798 20 0 HFADRO F[C@H](Oc1cncc(Cl)n1)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966300 722061548 /nfs/dbraw/zinc/06/15/48/722061548.db2.gz QFTLIGZZLGYVTJ-IBGZPJMESA-N 1 0 421.904 2.772 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1Cl ZINC001164967650 722069831 /nfs/dbraw/zinc/06/98/31/722069831.db2.gz SPRUDGGROWOPKU-BETUJISGSA-N 1 0 400.306 2.865 20 0 HFADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164967708 722078158 /nfs/dbraw/zinc/07/81/58/722078158.db2.gz JXGSBPVWRGLNRN-TXEJJXNPSA-N 1 0 415.897 2.670 20 0 HFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164968196 722078164 /nfs/dbraw/zinc/07/81/64/722078164.db2.gz VPKDECAQRXUWOY-HDICACEKSA-N 1 0 424.923 2.956 20 0 HFADRO C[NH+](C)Cc1ccnc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)c1 ZINC001164969493 722082494 /nfs/dbraw/zinc/08/24/94/722082494.db2.gz OQXNGCLIPXDHKA-RTWAWAEBSA-N 1 0 412.509 2.536 20 0 HFADRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978210 722099137 /nfs/dbraw/zinc/09/91/37/722099137.db2.gz GESKSEBFPUUXLC-SFTDATJTSA-N 1 0 408.550 2.508 20 0 HFADRO COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164984274 722099342 /nfs/dbraw/zinc/09/93/42/722099342.db2.gz RWJZJMXMSHLTOF-APWZRJJASA-N 1 0 416.909 2.644 20 0 HFADRO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978292 722100101 /nfs/dbraw/zinc/10/01/01/722100101.db2.gz GOZVRHDNPUWSBB-VQIMIIECSA-N 1 0 416.909 2.644 20 0 HFADRO COC(=O)c1ccc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164974565 722100144 /nfs/dbraw/zinc/10/01/44/722100144.db2.gz AGOFBYFIXNDYFU-WMZOPIPTSA-N 1 0 416.909 2.644 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986027 722104675 /nfs/dbraw/zinc/10/46/75/722104675.db2.gz XTDWJUCNIKULQF-RDJZCZTQSA-N 1 0 405.955 2.974 20 0 HFADRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc21 ZINC001164973044 722125973 /nfs/dbraw/zinc/12/59/73/722125973.db2.gz GDJRDZYAJFEYTQ-WIYYLYMNSA-N 1 0 405.502 2.761 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164983858 722139569 /nfs/dbraw/zinc/13/95/69/722139569.db2.gz VWLFFBHOFCWKLX-RTWAWAEBSA-N 1 0 408.550 2.589 20 0 HFADRO c1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)nc1 ZINC001164983880 722147818 /nfs/dbraw/zinc/14/78/18/722147818.db2.gz VYKTVTDETINTRT-KNQAVFIVSA-N 1 0 402.502 2.661 20 0 HFADRO [O-][n+]1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001164976215 722157267 /nfs/dbraw/zinc/15/72/67/722157267.db2.gz UZTNZMUTTUAHGS-FUHWJXTLSA-N 1 0 424.879 2.641 20 0 HFADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164988263 722187722 /nfs/dbraw/zinc/18/77/22/722187722.db2.gz CYUZFCJJWBPIAY-FQEVSTJZSA-N 1 0 400.567 2.777 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)s1 ZINC001165002315 722254265 /nfs/dbraw/zinc/25/42/65/722254265.db2.gz NNSYVMADLMLAFC-UHFFFAOYSA-N 1 0 421.958 2.733 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3nccc(Cl)c3n1)CCC2 ZINC001165001842 722255622 /nfs/dbraw/zinc/25/56/22/722255622.db2.gz GVKWAXJOTSSMFE-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3cccc(F)c3)nn1)CCC2 ZINC001165004932 722257144 /nfs/dbraw/zinc/25/71/44/722257144.db2.gz XUESBQVLSZMPNQ-UHFFFAOYSA-N 1 0 410.497 2.968 20 0 HFADRO Cc1nc(-c2ccncc2)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C ZINC001165004836 722257269 /nfs/dbraw/zinc/25/72/69/722257269.db2.gz VPCPVHRPXSYWAA-UHFFFAOYSA-N 1 0 421.549 2.840 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000790469086 1078045290 /nfs/dbraw/zinc/04/52/90/1078045290.db2.gz LKCBPUBOAOLMHT-UHFFFAOYSA-N 1 0 402.516 2.851 20 0 HFADRO CCCN(CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C(=O)OC(C)(C)C ZINC000793018554 1078050460 /nfs/dbraw/zinc/05/04/60/1078050460.db2.gz CXTSCXKWPZCLHI-UHFFFAOYSA-N 1 0 421.542 2.569 20 0 HFADRO CN(C(=O)C(=O)Nc1cccc(Br)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793035460 1078052722 /nfs/dbraw/zinc/05/27/22/1078052722.db2.gz XKQKAHIXEDDKHA-OAHLLOKOSA-N 1 0 417.307 2.516 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793036010 1078053144 /nfs/dbraw/zinc/05/31/44/1078053144.db2.gz IWWHSSKYPHOKEW-UHFFFAOYSA-N 1 0 405.296 2.503 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)nc1Br ZINC000793042545 1078054268 /nfs/dbraw/zinc/05/42/68/1078054268.db2.gz OEPNVCWWMZIJFU-CQSZACIVSA-N 1 0 409.328 2.568 20 0 HFADRO C[C@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000793050288 1078056584 /nfs/dbraw/zinc/05/65/84/1078056584.db2.gz MDMPLHZAIMWLQV-LRDDRELGSA-N 1 0 405.296 2.590 20 0 HFADRO C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cn1 ZINC000793020909 1078058249 /nfs/dbraw/zinc/05/82/49/1078058249.db2.gz FAGQGLVEYMEWTJ-CJNGLKHVSA-N 1 0 411.344 2.848 20 0 HFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@H]1C ZINC000793026102 1078059029 /nfs/dbraw/zinc/05/90/29/1078059029.db2.gz FRVZLBVYZSXHLU-XEZPLFJOSA-N 1 0 423.453 2.926 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000790595421 1078063806 /nfs/dbraw/zinc/06/38/06/1078063806.db2.gz UUPIRIBOHZNUQH-HXUWFJFHSA-N 1 0 410.518 2.750 20 0 HFADRO COc1cc2c(cc1C[NH2+]Cc1ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc1)OCO2 ZINC000790606172 1078065598 /nfs/dbraw/zinc/06/55/98/1078065598.db2.gz DPUAYNLPLPSTEM-QHCPKHFHSA-N 1 0 423.469 2.939 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000793091495 1078066745 /nfs/dbraw/zinc/06/67/45/1078066745.db2.gz HYXGUXBTAGNBGV-ZWDAVXSWSA-N 1 0 400.523 2.570 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cc(-c4cccnc4)n[nH]3)cc2)C1=O ZINC000790607524 1078074286 /nfs/dbraw/zinc/07/42/86/1078074286.db2.gz DWERKFMGINVBKA-QHCPKHFHSA-N 1 0 416.485 2.986 20 0 HFADRO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)C1=O ZINC000790612824 1078076172 /nfs/dbraw/zinc/07/61/72/1078076172.db2.gz YSBNTFUHEXINJW-SFHVURJKSA-N 1 0 407.396 2.943 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000793100735 1078076515 /nfs/dbraw/zinc/07/65/15/1078076515.db2.gz CGOSOMBOCZECDZ-SFHVURJKSA-N 1 0 402.539 2.808 20 0 HFADRO CN1CCN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)C[C@H]1Cc1ccccc1 ZINC000793107883 1078079824 /nfs/dbraw/zinc/07/98/24/1078079824.db2.gz FEXVWAAWZKXAAC-HXUWFJFHSA-N 1 0 409.534 2.712 20 0 HFADRO C[C@@H]1CCC[N@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790673513 1078087073 /nfs/dbraw/zinc/08/70/73/1078087073.db2.gz OYWJSZRXDQHCLY-IKGGRYGDSA-N 1 0 400.539 2.707 20 0 HFADRO C[C@H]1C[N@H+](CCCNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC000793194113 1078098135 /nfs/dbraw/zinc/09/81/35/1078098135.db2.gz YOTRJFURXWQXRI-SFHVURJKSA-N 1 0 424.586 2.744 20 0 HFADRO COc1cc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)cc(Br)c1OC ZINC000793205812 1078105301 /nfs/dbraw/zinc/10/53/01/1078105301.db2.gz QYYSPVSOWPGFMW-ZDUSSCGKSA-N 1 0 402.285 2.732 20 0 HFADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1nc(Br)ccc1Br ZINC000790758696 1078112428 /nfs/dbraw/zinc/11/24/28/1078112428.db2.gz QEJPJXUCNMCLOH-JTQLQIEISA-N 1 0 423.149 2.693 20 0 HFADRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000793287215 1078118663 /nfs/dbraw/zinc/11/86/63/1078118663.db2.gz WUCNOJAFUPQWSK-IYWMVGAKSA-N 1 0 409.571 2.639 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000793289543 1078119168 /nfs/dbraw/zinc/11/91/68/1078119168.db2.gz AUPKABZHONIPDD-SFHVURJKSA-N 1 0 409.571 2.593 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790738242 1078120130 /nfs/dbraw/zinc/12/01/30/1078120130.db2.gz FOPKTADFFZMTPH-OFAXGOBFSA-N 1 0 411.521 2.806 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000793281552 1078127409 /nfs/dbraw/zinc/12/74/09/1078127409.db2.gz RXEQTGIMABJBNA-SFHVURJKSA-N 1 0 405.539 2.889 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000793383809 1078161632 /nfs/dbraw/zinc/16/16/32/1078161632.db2.gz JXIBMAKYEHRULL-SNJCGAMXSA-N 1 0 409.530 2.733 20 0 HFADRO COc1ccc([C@@H]2[C@H](COC(=O)C3CCN(c4cnccn4)CC3)CC[N@@H+]2C)cc1 ZINC000747120831 1078174092 /nfs/dbraw/zinc/17/40/92/1078174092.db2.gz OFQCYOKCJBWTMG-SIKLNZKXSA-N 1 0 410.518 2.938 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cnn(-c4ccc(F)cc4)n3)cc2)CC1 ZINC000793486944 1078190524 /nfs/dbraw/zinc/19/05/24/1078190524.db2.gz BVQXGRMSRPRKJZ-UHFFFAOYSA-N 1 0 409.465 2.809 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)cc2)CC1 ZINC000793487825 1078190979 /nfs/dbraw/zinc/19/09/79/1078190979.db2.gz IBSPNUVLXZUYBZ-XMMPIXPASA-N 1 0 408.498 2.948 20 0 HFADRO CC(C)N1CC[NH+](C2CCN(CN3CC[C@@H](CCc4ccccc4)C3=O)CC2)CC1 ZINC000793510417 1078194848 /nfs/dbraw/zinc/19/48/48/1078194848.db2.gz BURXSNJSUNBBCW-HSZRJFAPSA-N 1 0 412.622 2.916 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)[C@@H](C)C1 ZINC000793510760 1078194902 /nfs/dbraw/zinc/19/49/02/1078194902.db2.gz AJIHMMHUVCLOBI-OKZBNKHCSA-N 1 0 411.587 2.885 20 0 HFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000793566966 1078211634 /nfs/dbraw/zinc/21/16/34/1078211634.db2.gz GONBZYCYYBLNPH-QRQCRPRQSA-N 1 0 400.523 2.648 20 0 HFADRO Cc1cc([C@H](C)[NH2+]C[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)n(C)n1 ZINC000793566941 1078211667 /nfs/dbraw/zinc/21/16/67/1078211667.db2.gz NUEWBZMKGSKLDG-HOCLYGCPSA-N 1 0 419.492 2.863 20 0 HFADRO COc1cc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000793570199 1078212153 /nfs/dbraw/zinc/21/21/53/1078212153.db2.gz PGMCPHGRJIXNML-DETPVDSQSA-N 1 0 409.495 2.500 20 0 HFADRO CCOC(=O)C1=C(C[NH2+][C@@H]2CCC[C@H]2OC)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001170434308 1078212635 /nfs/dbraw/zinc/21/26/35/1078212635.db2.gz GLLWPOFIPNTPBJ-QGPMSJSTSA-N 1 0 407.898 2.668 20 0 HFADRO COC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cccc(F)c2)c(Br)c1 ZINC000793584432 1078215179 /nfs/dbraw/zinc/21/51/79/1078215179.db2.gz OYELFOCJTYFPCN-OAHLLOKOSA-N 1 0 412.255 2.904 20 0 HFADRO CCOC(=O)NCC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000793596655 1078219237 /nfs/dbraw/zinc/21/92/37/1078219237.db2.gz WRROKDOKHPEVFJ-INIZCTEOSA-N 1 0 401.429 2.646 20 0 HFADRO COCC1(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793597698 1078219452 /nfs/dbraw/zinc/21/94/52/1078219452.db2.gz SIWQQALBCVUFSA-IBGZPJMESA-N 1 0 423.598 2.840 20 0 HFADRO COCC1(C(=O)Nc2cc(C[NH+](C)C)ccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793612312 1078227733 /nfs/dbraw/zinc/22/77/33/1078227733.db2.gz ABAAVOFESIQKCP-UHFFFAOYSA-N 1 0 406.527 2.745 20 0 HFADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793629670 1078233253 /nfs/dbraw/zinc/23/32/53/1078233253.db2.gz JOXXPOARPDUSQU-GCJKJVERSA-N 1 0 411.546 2.629 20 0 HFADRO O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793622667 1078230574 /nfs/dbraw/zinc/23/05/74/1078230574.db2.gz AHUYCHVAEBPDAA-UJKMTWAASA-N 1 0 413.562 2.936 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000793625942 1078231535 /nfs/dbraw/zinc/23/15/35/1078231535.db2.gz WIBQXVQRMXHSLI-FCHUYYIVSA-N 1 0 409.530 2.743 20 0 HFADRO COCC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793676101 1078250402 /nfs/dbraw/zinc/25/04/02/1078250402.db2.gz AVZPXXSDLDFPLL-MSOLQXFVSA-N 1 0 409.571 2.593 20 0 HFADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)CC[C@H]21 ZINC000793676957 1078250856 /nfs/dbraw/zinc/25/08/56/1078250856.db2.gz FYRZTIRWBZIDRQ-GOEBONIOSA-N 1 0 408.568 2.767 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000793683238 1078253406 /nfs/dbraw/zinc/25/34/06/1078253406.db2.gz BWBWROIILMEHLD-AABGKKOBSA-N 1 0 401.551 2.683 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000793687804 1078256833 /nfs/dbraw/zinc/25/68/33/1078256833.db2.gz WGINECDZVLRRHP-KURKYZTESA-N 1 0 409.571 2.516 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000793687911 1078256907 /nfs/dbraw/zinc/25/69/07/1078256907.db2.gz ROWQPYDJEXKGPV-VAMGGRTRSA-N 1 0 423.557 2.843 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000793715171 1078262398 /nfs/dbraw/zinc/26/23/98/1078262398.db2.gz SCCNPKJRUXZUMQ-LSDHHAIUSA-N 1 0 415.456 2.580 20 0 HFADRO COc1ccc(CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)[C@H](C)C2CC2)cc1 ZINC000793716163 1078262937 /nfs/dbraw/zinc/26/29/37/1078262937.db2.gz XKYOSKOSUNZOFR-ZWKOTPCHSA-N 1 0 401.551 2.813 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000793715506 1078262944 /nfs/dbraw/zinc/26/29/44/1078262944.db2.gz ZIQSQGPCZWJEQO-RDJZCZTQSA-N 1 0 400.548 2.950 20 0 HFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000793719989 1078264955 /nfs/dbraw/zinc/26/49/55/1078264955.db2.gz SPJWEXDVXOJIKV-JOCHJYFZSA-N 1 0 411.521 2.821 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000793695270 1078270973 /nfs/dbraw/zinc/27/09/73/1078270973.db2.gz NDZXVAAAEOVURD-URVUXULASA-N 1 0 423.557 2.987 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1)[NH+]1CCCCC1 ZINC000793694813 1078271337 /nfs/dbraw/zinc/27/13/37/1078271337.db2.gz BNNMOLQZKSHIEU-IAGOWNOFSA-N 1 0 418.607 2.719 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793696895 1078272121 /nfs/dbraw/zinc/27/21/21/1078272121.db2.gz KQFFHCRYHSGTNF-PZJWPPBQSA-N 1 0 409.530 2.551 20 0 HFADRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CC[C@H](CS(C)(=O)=O)C2)c1=S ZINC000793697670 1078272721 /nfs/dbraw/zinc/27/27/21/1078272721.db2.gz LSABKOFEOYLQSM-JKSUJKDBSA-N 1 0 417.645 2.551 20 0 HFADRO COc1ccc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1OC1CCCC1 ZINC000793697662 1078272737 /nfs/dbraw/zinc/27/27/37/1078272737.db2.gz IQNIZSNFIRPFRR-KRWDZBQOSA-N 1 0 417.550 2.623 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000793700284 1078273452 /nfs/dbraw/zinc/27/34/52/1078273452.db2.gz ZBKRXAOGQUEALN-VQTJNVASSA-N 1 0 409.530 2.693 20 0 HFADRO Cc1ccc(C[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000793703069 1078274884 /nfs/dbraw/zinc/27/48/84/1078274884.db2.gz VXOFTQCQHKHKCA-UGKGYDQZSA-N 1 0 408.546 2.781 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(CCc1ccccc1)Cc1ccncc1)[NH+]1CCCCC1 ZINC000793705475 1078275473 /nfs/dbraw/zinc/27/54/73/1078275473.db2.gz DJMBAUUIKMZITF-HXUWFJFHSA-N 1 0 408.546 2.644 20 0 HFADRO CC(C)C[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)ccn1 ZINC000793705518 1078276702 /nfs/dbraw/zinc/27/67/02/1078276702.db2.gz DRLVAQQOWOBKFA-ZWKOTPCHSA-N 1 0 404.555 2.502 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1)[NH+]1CCCCC1 ZINC000793706635 1078276851 /nfs/dbraw/zinc/27/68/51/1078276851.db2.gz CYMRJERCFLIRLL-MRXNPFEDSA-N 1 0 414.481 2.620 20 0 HFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(=O)NCC1CCCCCCC1 ZINC000793758764 1078279771 /nfs/dbraw/zinc/27/97/71/1078279771.db2.gz XLGCOAAGZGOTPH-UHFFFAOYSA-N 1 0 415.578 2.736 20 0 HFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)NCC1CCCCCCC1 ZINC000793765598 1078282547 /nfs/dbraw/zinc/28/25/47/1078282547.db2.gz GSJNGPXBOLTMCH-UHFFFAOYSA-N 1 0 415.578 2.736 20 0 HFADRO CN1CCC(CNC(=O)C(=O)NCC2CCCCCCC2)([NH+]2CCCCC2)CC1 ZINC000793743214 1078287657 /nfs/dbraw/zinc/28/76/57/1078287657.db2.gz CPWAJIIYKOJNQU-UHFFFAOYSA-N 1 0 406.615 2.530 20 0 HFADRO C[C@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000793745824 1078289109 /nfs/dbraw/zinc/28/91/09/1078289109.db2.gz DBEFWTJRFJMLLS-MUGJNUQGSA-N 1 0 422.614 2.506 20 0 HFADRO Cc1cc(C)c(N2C[C@H](C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)CC2=O)c(C)c1 ZINC000747146238 1078289666 /nfs/dbraw/zinc/28/96/66/1078289666.db2.gz MLKNOQIXAHSLLU-XRXFAXGQSA-N 1 0 413.562 2.675 20 0 HFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793750322 1078290548 /nfs/dbraw/zinc/29/05/48/1078290548.db2.gz HCOTXNRFKSASFW-HBGVWJBISA-N 1 0 424.545 2.767 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000793751381 1078291064 /nfs/dbraw/zinc/29/10/64/1078291064.db2.gz LXTGWBZWAHXIHN-WMZOPIPTSA-N 1 0 420.554 2.674 20 0 HFADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000793783602 1078293786 /nfs/dbraw/zinc/29/37/86/1078293786.db2.gz KFBVFGIRPXYBPD-XUVXKRRUSA-N 1 0 403.592 2.976 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000793807613 1078306352 /nfs/dbraw/zinc/30/63/52/1078306352.db2.gz IKAYCRRJTVYWEA-HXUWFJFHSA-N 1 0 418.501 2.731 20 0 HFADRO COc1ccccc1[C@H]1CCCN1C(=O)C(=O)NCc1cccnc1-n1ccnc1C ZINC000793808586 1078306041 /nfs/dbraw/zinc/30/60/41/1078306041.db2.gz VSUBRNHACMYJTI-LJQANCHMSA-N 1 0 419.485 2.564 20 0 HFADRO CSC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797916 1078301094 /nfs/dbraw/zinc/30/10/94/1078301094.db2.gz RTXBNVMAPPQBCU-KNQAVFIVSA-N 1 0 416.591 2.606 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000793846418 1078313271 /nfs/dbraw/zinc/31/32/71/1078313271.db2.gz FQLWVLKTEKEXOU-CVEARBPZSA-N 1 0 400.548 2.971 20 0 HFADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000793815890 1078315947 /nfs/dbraw/zinc/31/59/47/1078315947.db2.gz VEJYCHLVZGYKQQ-KRWDZBQOSA-N 1 0 411.468 2.869 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NOCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149005 1078318362 /nfs/dbraw/zinc/31/83/62/1078318362.db2.gz FBVMRUFDRLMZBZ-DOTOQJQBSA-N 1 0 413.440 2.586 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000793855091 1078324468 /nfs/dbraw/zinc/32/44/68/1078324468.db2.gz XRZJVGCBIDMMBH-HKUYNNGSSA-N 1 0 415.559 2.641 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)CCC2 ZINC000793931405 1078341181 /nfs/dbraw/zinc/34/11/81/1078341181.db2.gz OHDUPKZIWJLOKP-UCLAIMLFSA-N 1 0 412.559 2.897 20 0 HFADRO CC[NH+](CC)CCCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793877471 1078332411 /nfs/dbraw/zinc/33/24/11/1078332411.db2.gz WDEAELKVMNAEJB-UHFFFAOYSA-N 1 0 416.610 2.917 20 0 HFADRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793969530 1078349231 /nfs/dbraw/zinc/34/92/31/1078349231.db2.gz ZGMOYCVUXBGMIN-SLFFLAALSA-N 1 0 410.518 2.521 20 0 HFADRO Cn1ccnc1[C@@](O)(CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000747163632 1078349310 /nfs/dbraw/zinc/34/93/10/1078349310.db2.gz JRSPBLUEUTUJHC-PXNSSMCTSA-N 1 0 424.467 2.589 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000793945080 1078354311 /nfs/dbraw/zinc/35/43/11/1078354311.db2.gz BVNKTITWSBZFDQ-CMKODMSKSA-N 1 0 407.599 2.667 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)ccn1 ZINC000793946427 1078354860 /nfs/dbraw/zinc/35/48/60/1078354860.db2.gz GNJDWGKPTRCKRA-RBUKOAKNSA-N 1 0 418.582 2.607 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001170441707 1078356798 /nfs/dbraw/zinc/35/67/98/1078356798.db2.gz JTHDDWKLXRANKV-QTEQDKRBSA-N 1 0 413.518 2.883 20 0 HFADRO C[NH+](C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000794051471 1078366044 /nfs/dbraw/zinc/36/60/44/1078366044.db2.gz QFHMIRQJACMCHP-GOSISDBHSA-N 1 0 415.515 2.715 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)cc1 ZINC000794050402 1078366070 /nfs/dbraw/zinc/36/60/70/1078366070.db2.gz HIKBIXFXABZQCX-XATQLNLPSA-N 1 0 414.527 2.945 20 0 HFADRO COC(=O)c1ccc(F)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)c1 ZINC000794050874 1078366172 /nfs/dbraw/zinc/36/61/72/1078366172.db2.gz JIJRZMSWMNFDTD-MRXNPFEDSA-N 1 0 406.479 2.684 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](NC(=O)C2CC2)[C@H]2OCCC[C@H]2C1 ZINC001170443422 1078377602 /nfs/dbraw/zinc/37/76/02/1078377602.db2.gz OSUWANXEVVETOO-VWNVYAMZSA-N 1 0 400.519 2.742 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(C[C@@H]1OC[C@@H]2C[NH2+]CC[C@H]12)c1ncccn1 ZINC001170444678 1078391192 /nfs/dbraw/zinc/39/11/92/1078391192.db2.gz UDBQMFLPOQCXPL-WEMPKCCASA-N 1 0 410.518 2.658 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001170443939 1078391993 /nfs/dbraw/zinc/39/19/93/1078391993.db2.gz RNNQMQZVMFDSHP-LRXVAGHRSA-N 1 0 412.461 2.992 20 0 HFADRO COc1ccc(CN2CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC2)cc1 ZINC001170444352 1078394953 /nfs/dbraw/zinc/39/49/53/1078394953.db2.gz YPRUQNBGPIYBGS-LADGPHEKSA-N 1 0 419.610 2.608 20 0 HFADRO COc1ccc(CN2CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC2)cc1 ZINC001170444356 1078395189 /nfs/dbraw/zinc/39/51/89/1078395189.db2.gz YPRUQNBGPIYBGS-VWNXMTODSA-N 1 0 419.610 2.608 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)[C@H](c1cnn(C)c1)CC(=O)N2C ZINC001170445682 1078416968 /nfs/dbraw/zinc/41/69/68/1078416968.db2.gz XCCDAQWRQUEFJK-UXHICEINSA-N 1 0 424.545 2.950 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000794339776 1078419490 /nfs/dbraw/zinc/41/94/90/1078419490.db2.gz RIWBISSLYADHBY-UHFFFAOYSA-N 1 0 411.687 2.864 20 0 HFADRO CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794338468 1078419533 /nfs/dbraw/zinc/41/95/33/1078419533.db2.gz GAFUXSSHDNRGCW-OAQYLSRUSA-N 1 0 406.527 2.822 20 0 HFADRO COc1cc(CCC(=O)Nc2ccnn2CC[NH+](C)C)ccc1OCC(F)(F)F ZINC001129434214 1078463311 /nfs/dbraw/zinc/46/33/11/1078463311.db2.gz IPPJHZKNVDOLMV-UHFFFAOYSA-N 1 0 414.428 2.966 20 0 HFADRO COC(=O)c1cnc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C(F)(F)F ZINC000804425993 1078472638 /nfs/dbraw/zinc/47/26/38/1078472638.db2.gz YMZRKFILRXXGST-UHFFFAOYSA-N 1 0 424.423 2.791 20 0 HFADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000804429720 1078474936 /nfs/dbraw/zinc/47/49/36/1078474936.db2.gz NQJZXBRTKZLYLG-AUSIDOKSSA-N 1 0 423.557 2.656 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C1 ZINC001129800544 1078476830 /nfs/dbraw/zinc/47/68/30/1078476830.db2.gz PLDOIIWLFVOUMN-UEXGIBASSA-N 1 0 405.539 2.657 20 0 HFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC001129505266 1078499048 /nfs/dbraw/zinc/49/90/48/1078499048.db2.gz CNVNNYSBJYGYPF-NVXWUHKLSA-N 1 0 401.457 2.954 20 0 HFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC001129505646 1078499260 /nfs/dbraw/zinc/49/92/60/1078499260.db2.gz FIQKUVVUUBZSRB-OAHLLOKOSA-N 1 0 403.429 2.642 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2nn(-c3ccccc3Cl)cc2C)CC1 ZINC001129808542 1078506626 /nfs/dbraw/zinc/50/66/26/1078506626.db2.gz YPWSHPNZRWCWKD-UHFFFAOYSA-N 1 0 403.958 2.980 20 0 HFADRO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC001129809889 1078507884 /nfs/dbraw/zinc/50/78/84/1078507884.db2.gz OHEVCQPGJSFAFY-QGZVFWFLSA-N 1 0 407.580 2.854 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804442489 1078509187 /nfs/dbraw/zinc/50/91/87/1078509187.db2.gz DAZSHOXDIPBOFM-SFTDATJTSA-N 1 0 424.545 2.913 20 0 HFADRO CCn1nc(C)c(C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC000804448837 1078516734 /nfs/dbraw/zinc/51/67/34/1078516734.db2.gz QXMHZIMVQITXMS-IBGZPJMESA-N 1 0 415.969 2.897 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC001129801900 1078525920 /nfs/dbraw/zinc/52/59/20/1078525920.db2.gz SOFCYGSJCWPEMB-OAHLLOKOSA-N 1 0 406.577 2.869 20 0 HFADRO O=C(NCc1ccc2c[nH+]cn2c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001129555033 1078545328 /nfs/dbraw/zinc/54/53/28/1078545328.db2.gz ZKCREMHRLFBPTN-UHFFFAOYSA-N 1 0 418.906 2.702 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000804524245 1078563027 /nfs/dbraw/zinc/56/30/27/1078563027.db2.gz NRKQQACVHZTDDS-RHSMWYFYSA-N 1 0 414.481 2.686 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804524146 1078563032 /nfs/dbraw/zinc/56/30/32/1078563032.db2.gz LFHCASNTWBETSD-SEVLPDGMSA-N 1 0 422.529 2.664 20 0 HFADRO CC(=O)c1ccc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(S(N)(=O)=O)c1 ZINC000804528301 1078566539 /nfs/dbraw/zinc/56/65/39/1078566539.db2.gz YWEXFQIRDNJANI-MRXNPFEDSA-N 1 0 401.532 2.637 20 0 HFADRO CCO[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC001129873332 1078570053 /nfs/dbraw/zinc/57/00/53/1078570053.db2.gz ZWHISFCIXSUWHG-JOCHJYFZSA-N 1 0 409.530 2.778 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CC(N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001170456142 1078576361 /nfs/dbraw/zinc/57/63/61/1078576361.db2.gz OXCYUMAPABGQFP-SFHVURJKSA-N 1 0 417.550 2.973 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(C1CC[NH2+]CC1)S(=O)(=O)c1cccnc1 ZINC001170457136 1078595514 /nfs/dbraw/zinc/59/55/14/1078595514.db2.gz XQOVLOJTBNHRAC-QGZVFWFLSA-N 1 0 417.531 2.574 20 0 HFADRO O=C(N1CCC[C@H](n2ccnn2)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001129933248 1078598458 /nfs/dbraw/zinc/59/84/58/1078598458.db2.gz QZLJJUZQCZGYOH-HKUYNNGSSA-N 1 0 407.440 2.896 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000804777370 1078602379 /nfs/dbraw/zinc/60/23/79/1078602379.db2.gz ZUHWRYSMHKKSFZ-XTFSCAMASA-N 1 0 406.490 2.922 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000804776859 1078603469 /nfs/dbraw/zinc/60/34/69/1078603469.db2.gz INQHNCCMIDOGLU-ZIBIDDQLSA-N 1 0 419.591 2.690 20 0 HFADRO C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762576 1078613917 /nfs/dbraw/zinc/61/39/17/1078613917.db2.gz CYNITVFJNFNOLZ-KRWDZBQOSA-N 1 0 422.595 2.577 20 0 HFADRO C[N@H+](CCC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCCCC1 ZINC000804761222 1078611327 /nfs/dbraw/zinc/61/13/27/1078611327.db2.gz YYAVNLJRVFFCLP-HXUWFJFHSA-N 1 0 422.614 2.795 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000747213372 1078625462 /nfs/dbraw/zinc/62/54/62/1078625462.db2.gz CJESYZFPEZLTEO-SQFISAMPSA-N 1 0 415.559 2.735 20 0 HFADRO COC(=O)c1sc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000804808448 1078637495 /nfs/dbraw/zinc/63/74/95/1078637495.db2.gz UHDAEEPFMBGVGO-MRXNPFEDSA-N 1 0 420.966 2.980 20 0 HFADRO C[N@H+](CCNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000804818755 1078659760 /nfs/dbraw/zinc/65/97/60/1078659760.db2.gz XEMRFNGCJHSSIR-FQEVSTJZSA-N 1 0 421.969 2.603 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000747216873 1078659777 /nfs/dbraw/zinc/65/97/77/1078659777.db2.gz AXZBWDLPNJKUCN-PXNSSMCTSA-N 1 0 424.467 2.822 20 0 HFADRO COCC[NH+](CCOC)C1CCN(c2nc(C)nc3c2cnn3-c2ccccc2)CC1 ZINC000804818459 1078660197 /nfs/dbraw/zinc/66/01/97/1078660197.db2.gz GMPVKSUDJWAFNU-UHFFFAOYSA-N 1 0 424.549 2.688 20 0 HFADRO C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000804819470 1078660797 /nfs/dbraw/zinc/66/07/97/1078660797.db2.gz WCROTMRSJQAGPI-CYBMUJFWSA-N 1 0 401.429 2.753 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(OCC2CC2)cn1 ZINC001129971180 1078665182 /nfs/dbraw/zinc/66/51/82/1078665182.db2.gz XDBNAOLXBYCONQ-TZIWHRDSSA-N 1 0 410.518 2.532 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804828816 1078667688 /nfs/dbraw/zinc/66/76/88/1078667688.db2.gz AXDOWWALBGSGOO-JOCHJYFZSA-N 1 0 422.573 2.882 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(C(F)(F)F)cnc2Cl)CC1 ZINC000804626511 1078675915 /nfs/dbraw/zinc/67/59/15/1078675915.db2.gz JMDVZCPKSDGRAG-UHFFFAOYSA-N 1 0 423.863 2.953 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2c(C)oc3ccc(OC)cc32)CC1 ZINC000804626537 1078675939 /nfs/dbraw/zinc/67/59/39/1078675939.db2.gz KUXCQBOXKLHZPP-UHFFFAOYSA-N 1 0 404.507 2.949 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCc2ccc(C[S@](C)=O)cc2)cc1 ZINC000804862886 1078688889 /nfs/dbraw/zinc/68/88/89/1078688889.db2.gz RVPXMXYKBQUTKK-YMQVXYQWSA-N 1 0 400.544 2.835 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000804868124 1078692287 /nfs/dbraw/zinc/69/22/87/1078692287.db2.gz WRRFHKNHQLVWND-UHFFFAOYSA-N 1 0 414.481 2.878 20 0 HFADRO Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(Cl)n1 ZINC001129742770 1078715778 /nfs/dbraw/zinc/71/57/78/1078715778.db2.gz RUVOSJBEAUDAKS-UHFFFAOYSA-N 1 0 414.937 2.600 20 0 HFADRO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000804637381 1078722107 /nfs/dbraw/zinc/72/21/07/1078722107.db2.gz JKWSVAIRWVXSIL-SFTDATJTSA-N 1 0 424.501 2.757 20 0 HFADRO CC[C@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000804908232 1078730839 /nfs/dbraw/zinc/73/08/39/1078730839.db2.gz JUBJRKJMHIWFBF-HXUWFJFHSA-N 1 0 402.539 2.601 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000804912255 1078734814 /nfs/dbraw/zinc/73/48/14/1078734814.db2.gz SNFVNXAPLXAPSM-YJBOKZPZSA-N 1 0 407.477 2.880 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000804944368 1078771895 /nfs/dbraw/zinc/77/18/95/1078771895.db2.gz XTACYLCAWCLZDX-LJQANCHMSA-N 1 0 408.546 2.814 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000804945850 1078772348 /nfs/dbraw/zinc/77/23/48/1078772348.db2.gz TVJDSKRHACYSCZ-LPHOPBHVSA-N 1 0 420.554 2.824 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCc2ccccc2CN2CC[NH+](CC)CC2)cc1 ZINC000804949013 1078777825 /nfs/dbraw/zinc/77/78/25/1078777825.db2.gz GJOTVFGTMYKSKK-XMMPIXPASA-N 1 0 424.589 2.919 20 0 HFADRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@]1(F)CCS(=O)(=O)C1 ZINC001130031235 1078806874 /nfs/dbraw/zinc/80/68/74/1078806874.db2.gz DCAHPOGHNORRAH-GOSISDBHSA-N 1 0 400.541 2.730 20 0 HFADRO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000805015267 1078826907 /nfs/dbraw/zinc/82/69/07/1078826907.db2.gz ZRZUGRHRYJSEQC-SFHVURJKSA-N 1 0 420.520 2.593 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000805027226 1078839820 /nfs/dbraw/zinc/83/98/20/1078839820.db2.gz JCZXCMHDUNBNDV-UHFFFAOYSA-N 1 0 408.568 2.738 20 0 HFADRO O=S(=O)(Cc1cccc(Br)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000805005518 1078850129 /nfs/dbraw/zinc/85/01/29/1078850129.db2.gz QBQXNNLXJOYAAO-KRWDZBQOSA-N 1 0 417.369 2.512 20 0 HFADRO CC(C)N(C(=O)CCn1nnc2ccccc2c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130055257 1078841084 /nfs/dbraw/zinc/84/10/84/1078841084.db2.gz FDFRRQXZODXNMY-FQEVSTJZSA-N 1 0 419.529 2.693 20 0 HFADRO O=S(=O)(Cc1ccccc1Br)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000805006033 1078851893 /nfs/dbraw/zinc/85/18/93/1078851893.db2.gz WQDHVRUVTFBKEC-INIZCTEOSA-N 1 0 417.369 2.512 20 0 HFADRO CC(C)(C)OC(=O)NCCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000805055001 1078867264 /nfs/dbraw/zinc/86/72/64/1078867264.db2.gz RHHGALADKWWWAD-QFIPXVFZSA-N 1 0 402.539 2.819 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)c(I)c1 ZINC000747229010 1078887902 /nfs/dbraw/zinc/88/79/02/1078887902.db2.gz IHDDTOHVGMWPDN-VXGBXAGGSA-N 1 0 420.678 2.538 20 0 HFADRO CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1Br ZINC000805110848 1078895203 /nfs/dbraw/zinc/89/52/03/1078895203.db2.gz LESNBEKLQGWOKT-SJKOYZFVSA-N 1 0 415.353 2.899 20 0 HFADRO C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1F ZINC000805075423 1078907336 /nfs/dbraw/zinc/90/73/36/1078907336.db2.gz XEDRFZPOOMLCSA-FPMFFAJLSA-N 1 0 400.292 2.812 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC)c2)[C@H](C)C1 ZINC000805124514 1078923103 /nfs/dbraw/zinc/92/31/03/1078923103.db2.gz OTISDUVQQUIHQK-APWZRJJASA-N 1 0 406.527 2.801 20 0 HFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137841 1078934318 /nfs/dbraw/zinc/93/43/18/1078934318.db2.gz JYFBDOSMBSWOSY-XMSQKQJNSA-N 1 0 424.586 2.530 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805137281 1078934760 /nfs/dbraw/zinc/93/47/60/1078934760.db2.gz GCROCNIYQDYZFN-HXUWFJFHSA-N 1 0 424.586 2.720 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805137280 1078934784 /nfs/dbraw/zinc/93/47/84/1078934784.db2.gz GCROCNIYQDYZFN-FQEVSTJZSA-N 1 0 424.586 2.720 20 0 HFADRO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)c2)cc1 ZINC001130097833 1078948056 /nfs/dbraw/zinc/94/80/56/1078948056.db2.gz GNPBPCDKLHOPPQ-HXUWFJFHSA-N 1 0 415.559 2.986 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000805199380 1078952686 /nfs/dbraw/zinc/95/26/86/1078952686.db2.gz ZAHJVUHNXHPXGT-YKSBVNFPSA-N 1 0 406.530 2.568 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000747232079 1078956498 /nfs/dbraw/zinc/95/64/98/1078956498.db2.gz QZQAAUHDJBMNHZ-VWPQPMDRSA-N 1 0 406.482 2.734 20 0 HFADRO COC[C@]1(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC000805180793 1078964976 /nfs/dbraw/zinc/96/49/76/1078964976.db2.gz DMAGCZKDABLBHD-DYESRHJHSA-N 1 0 412.575 2.576 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)CCSC1 ZINC000805181365 1078965354 /nfs/dbraw/zinc/96/53/54/1078965354.db2.gz KMQMHNMJOJRBOM-PXNSSMCTSA-N 1 0 412.600 2.657 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000805185098 1078965723 /nfs/dbraw/zinc/96/57/23/1078965723.db2.gz SAIOZMOUGZRYJQ-JOCHJYFZSA-N 1 0 424.586 2.530 20 0 HFADRO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000805301330 1078995907 /nfs/dbraw/zinc/99/59/07/1078995907.db2.gz LDHZHBYLDYMFAU-KNQAVFIVSA-N 1 0 400.523 2.525 20 0 HFADRO CC1(C)C[N@@H+](C2(CNC(=O)C(=O)N3CCC4(CCCC4)C3)CCCCC2)CCO1 ZINC000805304833 1078997437 /nfs/dbraw/zinc/99/74/37/1078997437.db2.gz UOUSBXNPYYULHN-UHFFFAOYSA-N 1 0 405.583 2.709 20 0 HFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1)c1ccccc1 ZINC000747235454 1079008407 /nfs/dbraw/zinc/00/84/07/1079008407.db2.gz HUWLGQINVYWLRP-LJQANCHMSA-N 1 0 408.495 2.974 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000805279499 1079006641 /nfs/dbraw/zinc/00/66/41/1079006641.db2.gz LCIPFBLLAPHLEQ-RBUKOAKNSA-N 1 0 405.564 2.804 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1F ZINC000747238923 1079021772 /nfs/dbraw/zinc/02/17/72/1079021772.db2.gz KWKZEDBQISVIMW-IBGZPJMESA-N 1 0 406.479 2.728 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000805332994 1079022688 /nfs/dbraw/zinc/02/26/88/1079022688.db2.gz IFGJHTXPYIKMKG-SFGWALBWSA-N 1 0 403.498 2.822 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c1 ZINC000805312167 1079032197 /nfs/dbraw/zinc/03/21/97/1079032197.db2.gz KURVTWXCYYITKF-UHFFFAOYSA-N 1 0 424.423 2.786 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000805334328 1079023327 /nfs/dbraw/zinc/02/33/27/1079023327.db2.gz FYSRKNRZLIGVPD-APWZRJJASA-N 1 0 420.517 2.539 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000805335513 1079024387 /nfs/dbraw/zinc/02/43/87/1079024387.db2.gz ORVLPMCCHKVXFC-TZMCWYRMSA-N 1 0 424.286 2.638 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000805397738 1079039534 /nfs/dbraw/zinc/03/95/34/1079039534.db2.gz UORDOPSJLMHLKT-APWZRJJASA-N 1 0 413.440 2.646 20 0 HFADRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000747240857 1079039554 /nfs/dbraw/zinc/03/95/54/1079039554.db2.gz MTNHUOSKEBWIIJ-UHFFFAOYSA-N 1 0 409.335 2.885 20 0 HFADRO COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000805432264 1079061705 /nfs/dbraw/zinc/06/17/05/1079061705.db2.gz UZNFDKROFZRDBM-MRXNPFEDSA-N 1 0 404.507 2.531 20 0 HFADRO CC[C@@H]1CN(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)S1(=O)=O ZINC000805437012 1079063805 /nfs/dbraw/zinc/06/38/05/1079063805.db2.gz FTUGRGYREZRZFB-QFUCXCTJSA-N 1 0 407.580 2.506 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000747241177 1079064984 /nfs/dbraw/zinc/06/49/84/1079064984.db2.gz XTGNWQPJWPQFPI-YXAHYSCSSA-N 1 0 414.527 2.988 20 0 HFADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)OC)c1 ZINC000747242224 1079066374 /nfs/dbraw/zinc/06/63/74/1079066374.db2.gz VQFFWYRWRXOABH-UHFFFAOYSA-N 1 0 408.495 2.933 20 0 HFADRO COc1ccccc1CONC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805444872 1079068544 /nfs/dbraw/zinc/06/85/44/1079068544.db2.gz VJCNAIVMNWEUQC-QFIPXVFZSA-N 1 0 424.545 2.729 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000805417721 1079078189 /nfs/dbraw/zinc/07/81/89/1079078189.db2.gz KETQPZWZMZYWNH-OAQYLSRUSA-N 1 0 416.566 2.565 20 0 HFADRO COC(=O)c1nnn(-c2ccccc2)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001130201907 1079100961 /nfs/dbraw/zinc/10/09/61/1079100961.db2.gz WNSVVXNCMOQYRK-GOSISDBHSA-N 1 0 419.485 2.905 20 0 HFADRO CS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000805451975 1079101491 /nfs/dbraw/zinc/10/14/91/1079101491.db2.gz JCTZQKVFJKUODU-LJQANCHMSA-N 1 0 417.527 2.924 20 0 HFADRO CC(C)=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[nH]1 ZINC001130223457 1079105791 /nfs/dbraw/zinc/10/57/91/1079105791.db2.gz VBDDYSHHOCQWNF-FKSLSLAPSA-N 1 0 401.555 2.676 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000747247825 1079110581 /nfs/dbraw/zinc/11/05/81/1079110581.db2.gz PJZALZNGTKKEAD-BBUPJTBGSA-N 1 0 408.564 2.909 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000747246934 1079122541 /nfs/dbraw/zinc/12/25/41/1079122541.db2.gz YKLDKXNWMOGMAR-TWGQIWQCSA-N 1 0 424.588 2.513 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(Cl)cc1Cl ZINC000747246606 1079123235 /nfs/dbraw/zinc/12/32/35/1079123235.db2.gz FRRCOYXQFONOSY-NSHDSACASA-N 1 0 409.335 2.790 20 0 HFADRO CS(=O)(=O)c1ccc(OCCOC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000805542124 1079130959 /nfs/dbraw/zinc/13/09/59/1079130959.db2.gz GTHNDWFMKRMHAS-UHFFFAOYSA-N 1 0 403.500 2.922 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c(Cl)cc1Cl ZINC000747249799 1079146731 /nfs/dbraw/zinc/14/67/31/1079146731.db2.gz YBZQWRKQEVFLRU-LLVKDONJSA-N 1 0 409.335 2.790 20 0 HFADRO C[C@@H](OC(=O)c1cnn(C)c1C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000747257079 1079187434 /nfs/dbraw/zinc/18/74/34/1079187434.db2.gz HZXHAWAQFFSWTA-MRXNPFEDSA-N 1 0 410.518 2.624 20 0 HFADRO CN(CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(Br)s1 ZINC001130301347 1079193195 /nfs/dbraw/zinc/19/31/95/1079193195.db2.gz LRKPJWZIDOUWME-QWHCGFSZSA-N 1 0 414.369 2.716 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000747256332 1079194735 /nfs/dbraw/zinc/19/47/35/1079194735.db2.gz KMRPBVHEOHBCRK-UHFFFAOYSA-N 1 0 420.506 2.803 20 0 HFADRO CC[C@@H]1CC([NH+]2CCC3(CC2)COCC(=O)N3)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170485134 1079195216 /nfs/dbraw/zinc/19/52/16/1079195216.db2.gz UFKJHHNLMCCRPU-IAGOWNOFSA-N 1 0 409.571 2.924 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c(Cl)cc1Cl ZINC000747261850 1079197397 /nfs/dbraw/zinc/19/73/97/1079197397.db2.gz PKJQZLOZWJAOLS-UHFFFAOYSA-N 1 0 409.335 2.790 20 0 HFADRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747260257 1079212390 /nfs/dbraw/zinc/21/23/90/1079212390.db2.gz CXQBVLYQVMUDDE-LLVKDONJSA-N 1 0 409.335 2.790 20 0 HFADRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805749948 1079230439 /nfs/dbraw/zinc/23/04/39/1079230439.db2.gz VJFJCJUEHYQSQG-HKUYNNGSSA-N 1 0 402.539 2.934 20 0 HFADRO COc1nc(C)cc(C)c1C[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805758711 1079260783 /nfs/dbraw/zinc/26/07/83/1079260783.db2.gz OVIFMNCRIPTQKH-SFHVURJKSA-N 1 0 404.555 2.834 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000805833040 1079273354 /nfs/dbraw/zinc/27/33/54/1079273354.db2.gz QUOKFZZDXMLUFF-UHFFFAOYSA-N 1 0 402.539 2.950 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3c(F)ccc(C)c3N)cc2)CC1 ZINC000747269852 1079273719 /nfs/dbraw/zinc/27/37/19/1079273719.db2.gz BRFBMXQISMPJPC-UHFFFAOYSA-N 1 0 414.481 2.654 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000805766034 1079268230 /nfs/dbraw/zinc/26/82/30/1079268230.db2.gz VYJJVOIHRXGEAP-QGZVFWFLSA-N 1 0 419.522 2.801 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000805767127 1079269444 /nfs/dbraw/zinc/26/94/44/1079269444.db2.gz DSROIYNWFNSJTI-RXVVDRJESA-N 1 0 424.545 2.731 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000747269755 1079274830 /nfs/dbraw/zinc/27/48/30/1079274830.db2.gz IKRDYSXCQQPIEE-UHFFFAOYSA-N 1 0 420.506 2.897 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000805815167 1079289141 /nfs/dbraw/zinc/28/91/41/1079289141.db2.gz LBKYHQRXAQFBIL-UHFFFAOYSA-N 1 0 417.554 2.614 20 0 HFADRO NC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805826770 1079296046 /nfs/dbraw/zinc/29/60/46/1079296046.db2.gz JFCMOTSAHSCDPB-LJQANCHMSA-N 1 0 403.523 2.964 20 0 HFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC001170491079 1079305567 /nfs/dbraw/zinc/30/55/67/1079305567.db2.gz RNVUYJCTZMRAGQ-WBVHZDCISA-N 1 0 401.370 2.856 20 0 HFADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1OC ZINC000805831436 1079300662 /nfs/dbraw/zinc/30/06/62/1079300662.db2.gz JIDFMCQBYDEIPB-AWEZNQCLSA-N 1 0 406.504 2.705 20 0 HFADRO CC[C@@H]1CC([N@@H+]2CCN(CC(N)=O)C(C)(C)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170494417 1079376880 /nfs/dbraw/zinc/37/68/80/1079376880.db2.gz VCZKKMYRGNXQBL-IAGOWNOFSA-N 1 0 410.603 2.825 20 0 HFADRO COc1nc(SC)ncc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170496408 1079396148 /nfs/dbraw/zinc/39/61/48/1079396148.db2.gz QHUJVCQQENPVQT-WLYUNCDWSA-N 1 0 401.536 2.579 20 0 HFADRO Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000806041983 1079410767 /nfs/dbraw/zinc/41/07/67/1079410767.db2.gz MPGLJZKSZZWDNN-AJSBUHFISA-N 1 0 423.557 2.656 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000806041271 1079411208 /nfs/dbraw/zinc/41/12/08/1079411208.db2.gz GEGLVROXSXMNFE-PVAVHDDUSA-N 1 0 423.989 2.763 20 0 HFADRO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000772846186 1079429041 /nfs/dbraw/zinc/42/90/41/1079429041.db2.gz MLYZSAWQGKSSEY-NJAFHUGGSA-N 1 0 423.579 2.765 20 0 HFADRO O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001130517975 1079448794 /nfs/dbraw/zinc/44/87/94/1079448794.db2.gz BRXYKRGKABDIFT-IRXDYDNUSA-N 1 0 408.340 2.702 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518225 1079449472 /nfs/dbraw/zinc/44/94/72/1079449472.db2.gz ILSABPOKXLRZIM-WOJBJXKFSA-N 1 0 405.564 2.608 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2 ZINC001130523673 1079459132 /nfs/dbraw/zinc/45/91/32/1079459132.db2.gz IMDWAYFDJGVDGC-MRXNPFEDSA-N 1 0 407.559 2.730 20 0 HFADRO CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)C1(C)C ZINC001130542389 1079462794 /nfs/dbraw/zinc/46/27/94/1079462794.db2.gz UTQXZOMSOUYUTB-LEWJYISDSA-N 1 0 401.551 2.893 20 0 HFADRO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000806174153 1079463307 /nfs/dbraw/zinc/46/33/07/1079463307.db2.gz RWFULIMOEJQOGP-GDBMZVCRSA-N 1 0 411.568 2.890 20 0 HFADRO CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000806174394 1079464185 /nfs/dbraw/zinc/46/41/85/1079464185.db2.gz WHLQGKKTBPUOBF-KXBFYZLASA-N 1 0 420.535 2.681 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@H]3COC(=O)NC)c(C)c2)CC1 ZINC000806149426 1079467464 /nfs/dbraw/zinc/46/74/64/1079467464.db2.gz SICKGOLEQFVTTQ-IBGZPJMESA-N 1 0 417.554 2.879 20 0 HFADRO C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000806183570 1079477511 /nfs/dbraw/zinc/47/75/11/1079477511.db2.gz UQKKGLLMWAAVGN-AEFFLSMTSA-N 1 0 415.515 2.757 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000806205932 1079492273 /nfs/dbraw/zinc/49/22/73/1079492273.db2.gz DLUIVCUTLWKQPN-UHFFFAOYSA-N 1 0 424.998 2.561 20 0 HFADRO COc1cc2ncnc(N(C)c3cccc(NCCN(C)CC[NH3+])c3)c2cc1OC ZINC001170502882 1079501176 /nfs/dbraw/zinc/50/11/76/1079501176.db2.gz RXNUADHMNTYAPG-UHFFFAOYSA-N 1 0 410.522 2.717 20 0 HFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000787299131 1076747393 /nfs/dbraw/zinc/74/73/93/1076747393.db2.gz FTRDFKXYWYRYIA-HOTGVXAUSA-N 1 0 407.518 2.953 20 0 HFADRO CCOC(=O)C1C(C[N@@H+]2C[C@@H](C)CC2(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000746673560 1076747701 /nfs/dbraw/zinc/74/77/01/1076747701.db2.gz CZSVZYYPAPITQK-LIRRHRJNSA-N 1 0 401.507 2.987 20 0 HFADRO CCOC(=O)C1C(C[N@@H+]2C[C@H](C)CC2(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000746673557 1076747866 /nfs/dbraw/zinc/74/78/66/1076747866.db2.gz CZSVZYYPAPITQK-AUUYWEPGSA-N 1 0 401.507 2.987 20 0 HFADRO CCOC(=O)C1C(C[N@@H+]2C[C@H](C)CC2(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000746673559 1076747956 /nfs/dbraw/zinc/74/79/56/1076747956.db2.gz CZSVZYYPAPITQK-KUHUBIRLSA-N 1 0 401.507 2.987 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326654 1076769329 /nfs/dbraw/zinc/76/93/29/1076769329.db2.gz QBTUGEYEIIGQKP-ROUUACIJSA-N 1 0 424.586 2.671 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)n[nH]2)C1 ZINC000787379923 1076779792 /nfs/dbraw/zinc/77/97/92/1076779792.db2.gz AKNXLUMPKAWXFB-DLBZAZTESA-N 1 0 417.554 2.692 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)n[nH]2)C1 ZINC000787337945 1076782650 /nfs/dbraw/zinc/78/26/50/1076782650.db2.gz USYDCCJTFNXDQB-DLBZAZTESA-N 1 0 417.554 2.835 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)n[nH]2)C1 ZINC000787337948 1076782730 /nfs/dbraw/zinc/78/27/30/1076782730.db2.gz USYDCCJTFNXDQB-IAGOWNOFSA-N 1 0 417.554 2.835 20 0 HFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787418046 1076798996 /nfs/dbraw/zinc/79/89/96/1076798996.db2.gz MYLVLRQGLFZWNB-BBWFWOEESA-N 1 0 417.554 2.833 20 0 HFADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787388778 1076804923 /nfs/dbraw/zinc/80/49/23/1076804923.db2.gz ZBMOKNBBCHGPTP-VKJFTORMSA-N 1 0 405.543 2.546 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787407396 1076810047 /nfs/dbraw/zinc/81/00/47/1076810047.db2.gz ANWGMLIWUWEAAO-ARFHVFGLSA-N 1 0 405.543 2.737 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)CC[C@H]21 ZINC000787447613 1076815030 /nfs/dbraw/zinc/81/50/30/1076815030.db2.gz WPCPJAITYDXUPB-FRQCXROJSA-N 1 0 417.554 2.690 20 0 HFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(=O)N1CCC2(CCCC2)C1 ZINC000787488305 1076823401 /nfs/dbraw/zinc/82/34/01/1076823401.db2.gz GXBXVNIGFSANGQ-UHFFFAOYSA-N 1 0 401.551 2.816 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(COCc2ccco2)c1)[NH+]1CCCCC1 ZINC000787498865 1076826752 /nfs/dbraw/zinc/82/67/52/1076826752.db2.gz PSNHFPSWQNGOAQ-SFHVURJKSA-N 1 0 413.518 2.603 20 0 HFADRO CCOCc1ccc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000787514653 1076832129 /nfs/dbraw/zinc/83/21/29/1076832129.db2.gz QKKVKEGZNXATBV-UHFFFAOYSA-N 1 0 401.551 2.753 20 0 HFADRO COc1cc(SC)c(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cn1 ZINC001170074105 1076832333 /nfs/dbraw/zinc/83/23/33/1076832333.db2.gz CTQSHFZJHNSJSD-UHFFFAOYSA-N 1 0 404.517 2.514 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC(C4CCCCC4)CC3)n2)CC1 ZINC000787467979 1076833679 /nfs/dbraw/zinc/83/36/79/1076833679.db2.gz IKRAXEGZEQQEGJ-UHFFFAOYSA-N 1 0 401.555 2.907 20 0 HFADRO COc1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c(OC)c1F ZINC001170074130 1076833737 /nfs/dbraw/zinc/83/37/37/1076833737.db2.gz DPSVPDFBZFLJJV-UHFFFAOYSA-N 1 0 405.451 2.545 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787529704 1076849739 /nfs/dbraw/zinc/84/97/39/1076849739.db2.gz KJNBZIXGLYTUFY-HOTGVXAUSA-N 1 0 405.543 2.737 20 0 HFADRO [NH3+]CCN(c1ccc2c(c1)C(=O)N(C1CC1)C2)S(=O)(=O)c1cccc2cnccc21 ZINC001170075237 1076869364 /nfs/dbraw/zinc/86/93/64/1076869364.db2.gz WVDSFGTUEWYYOC-UHFFFAOYSA-N 1 0 422.510 2.507 20 0 HFADRO CCCCN(C)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC000787605529 1076875586 /nfs/dbraw/zinc/87/55/86/1076875586.db2.gz UWNQFDLORNJJQB-SFHVURJKSA-N 1 0 416.566 2.573 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCCc1ccc(Cl)nc1)c1ccsc1 ZINC000787616141 1076879588 /nfs/dbraw/zinc/87/95/88/1076879588.db2.gz LIMYNDWPOYYYES-MRXNPFEDSA-N 1 0 408.955 2.655 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)cc2Cl)CC1 ZINC000787621554 1076881948 /nfs/dbraw/zinc/88/19/48/1076881948.db2.gz HUKPDWITBVJRHA-HGKCTWBKSA-N 1 0 404.942 2.725 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(=O)/C=C/c3ccc(Cl)cc3)C[C@H]2C1 ZINC000787633412 1076884892 /nfs/dbraw/zinc/88/48/92/1076884892.db2.gz JGTFOFSFRMJPPF-QRMMXKNLSA-N 1 0 401.938 2.754 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccccc1SC(F)F ZINC000787603953 1076889422 /nfs/dbraw/zinc/88/94/22/1076889422.db2.gz KSNMTQGQARQCQY-ZDUSSCGKSA-N 1 0 413.490 2.652 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000787675118 1076889989 /nfs/dbraw/zinc/88/99/89/1076889989.db2.gz XBGMVPFNPZZLSH-PKOBYXMFSA-N 1 0 421.582 2.735 20 0 HFADRO CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000787652258 1076898139 /nfs/dbraw/zinc/89/81/39/1076898139.db2.gz LRSNTMLQHBEDGM-QGZVFWFLSA-N 1 0 411.468 2.869 20 0 HFADRO C[C@H]([NH2+]C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000787688675 1076912836 /nfs/dbraw/zinc/91/28/36/1076912836.db2.gz KQQXQAZPVCJYND-KSSFIOAISA-N 1 0 422.513 2.550 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C1 ZINC000787707327 1076919791 /nfs/dbraw/zinc/91/97/91/1076919791.db2.gz DFKCMZWSOCFYKB-CKJXQJPGSA-N 1 0 413.559 2.593 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([N@@H+]2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000787710570 1076922191 /nfs/dbraw/zinc/92/21/91/1076922191.db2.gz LWOXMIFQLIVFJD-UTKZUKDTSA-N 1 0 423.579 2.656 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@@H]([C@H]([NH2+]CCCNC(=O)c2cccs2)C2CC2)C1 ZINC000787762597 1076930511 /nfs/dbraw/zinc/93/05/11/1076930511.db2.gz LTCHOUBQSRFHJH-SJLPKXTDSA-N 1 0 423.579 2.872 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCC(OC[C@H]3CCCCO3)CC2)C1 ZINC000787728856 1076933218 /nfs/dbraw/zinc/93/32/18/1076933218.db2.gz CXKAKDIKPSMVAZ-DXIQSLLYSA-N 1 0 412.571 2.797 20 0 HFADRO C[C@H](NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787737497 1076935805 /nfs/dbraw/zinc/93/58/05/1076935805.db2.gz IASNTUBDPWBHGD-KIIXZUKNSA-N 1 0 412.486 2.607 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000787737361 1076936052 /nfs/dbraw/zinc/93/60/52/1076936052.db2.gz OZMTUSQYDHIDII-RDGATRHJSA-N 1 0 423.557 2.744 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)no1 ZINC000787736595 1076936377 /nfs/dbraw/zinc/93/63/77/1076936377.db2.gz MECJUSUOBPARRB-RTWAWAEBSA-N 1 0 410.518 2.990 20 0 HFADRO C[NH+]1CCN(C[C@@H](NC(=O)C(=O)NCC2CCCCCCC2)c2ccccc2)CC1 ZINC000787738067 1076936676 /nfs/dbraw/zinc/93/66/76/1076936676.db2.gz QDXUBEFMGODMRH-JOCHJYFZSA-N 1 0 414.594 2.568 20 0 HFADRO C[NH+]1CCN(C[C@H](NC(=O)C(=O)NCC2CCCCCCC2)c2ccccc2)CC1 ZINC000787738068 1076936687 /nfs/dbraw/zinc/93/66/87/1076936687.db2.gz QDXUBEFMGODMRH-QFIPXVFZSA-N 1 0 414.594 2.568 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@]2(O)CCCc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000787767030 1076941054 /nfs/dbraw/zinc/94/10/54/1076941054.db2.gz YLSBNCYFIVHYPA-SFYKDHMMSA-N 1 0 418.534 2.741 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CCN1C(=O)OC(C)(C)C ZINC000787767192 1076941067 /nfs/dbraw/zinc/94/10/67/1076941067.db2.gz URPHZIXUGZDTSO-DICRZQGBSA-N 1 0 414.568 2.572 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3C[C@]34CCN(C(=O)OC(C)(C)C)C4)n2)CC1 ZINC000787771529 1076942023 /nfs/dbraw/zinc/94/20/23/1076942023.db2.gz REEDSBOWJUMOGU-KKSFZXQISA-N 1 0 403.527 2.735 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)COC3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1 ZINC000787771831 1076942575 /nfs/dbraw/zinc/94/25/75/1076942575.db2.gz FPFWIHNTQXKHRS-UHFFFAOYSA-N 1 0 421.542 2.504 20 0 HFADRO CCc1ccc(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCC(C)CC3)CC2)cc1 ZINC000787894035 1076976429 /nfs/dbraw/zinc/97/64/29/1076976429.db2.gz HZOFVEBNYOSJPA-UHFFFAOYSA-N 1 0 414.594 2.526 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000787891350 1076979871 /nfs/dbraw/zinc/97/98/71/1076979871.db2.gz VUFPBIVWALTTHE-KRWDZBQOSA-N 1 0 400.910 2.962 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000787892515 1076980378 /nfs/dbraw/zinc/98/03/78/1076980378.db2.gz BMKRCHSZEDBOBJ-UHFFFAOYSA-N 1 0 424.501 2.740 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CCC2 ZINC000787904468 1076988271 /nfs/dbraw/zinc/98/82/71/1076988271.db2.gz SSWRCPSOZJVJPM-HKUYNNGSSA-N 1 0 403.571 2.728 20 0 HFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000787909291 1076990967 /nfs/dbraw/zinc/99/09/67/1076990967.db2.gz MICFLVSENSVHAX-SIKLNZKXSA-N 1 0 415.578 2.587 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000787909781 1076991859 /nfs/dbraw/zinc/99/18/59/1076991859.db2.gz JQSVPBLZVSFAHS-WCIQWLHISA-N 1 0 419.566 2.568 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000746715466 1077002828 /nfs/dbraw/zinc/00/28/28/1077002828.db2.gz BJXSWCHIBLTJGO-OAHLLOKOSA-N 1 0 419.494 2.648 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cc(C)cnc1Cl ZINC000787898805 1077004242 /nfs/dbraw/zinc/00/42/42/1077004242.db2.gz NZSRPOHQOFSRDQ-QGZVFWFLSA-N 1 0 415.925 2.890 20 0 HFADRO CC(C)[C@H](NC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000787960750 1077009537 /nfs/dbraw/zinc/00/95/37/1077009537.db2.gz RBTYMPSJMPXAGF-KRWDZBQOSA-N 1 0 414.472 2.859 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1 ZINC000746719982 1077017623 /nfs/dbraw/zinc/01/76/23/1077017623.db2.gz HVSGDZQOMDCRDN-IBGZPJMESA-N 1 0 404.511 2.603 20 0 HFADRO CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000772712221 1077050294 /nfs/dbraw/zinc/05/02/94/1077050294.db2.gz WADZSCHGNDFINV-KRWDZBQOSA-N 1 0 403.523 2.702 20 0 HFADRO Cn1cc(N2CCC[C@@H](OC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2=O)cn1 ZINC000772712205 1077050340 /nfs/dbraw/zinc/05/03/40/1077050340.db2.gz VRGVCZVEIYBABN-HXUWFJFHSA-N 1 0 410.518 2.761 20 0 HFADRO CC(C)(C)C(=O)NCc1ccc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1 ZINC000788067173 1077050939 /nfs/dbraw/zinc/05/09/39/1077050939.db2.gz CNBWWFZGFXFNGH-QGZVFWFLSA-N 1 0 411.506 2.547 20 0 HFADRO COc1ccccc1N(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000788085907 1077054978 /nfs/dbraw/zinc/05/49/78/1077054978.db2.gz LXAAXRGCKWAJNP-UHFFFAOYSA-N 1 0 412.943 2.680 20 0 HFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000746725651 1077055987 /nfs/dbraw/zinc/05/59/87/1077055987.db2.gz ZRTPRUKEGGDEGU-OAHLLOKOSA-N 1 0 422.327 2.867 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@H](C)C(=O)NCCc3ccncc3)cc2)CC1 ZINC000788135321 1077062275 /nfs/dbraw/zinc/06/22/75/1077062275.db2.gz MORTYBHHYSQSAK-LJQANCHMSA-N 1 0 424.545 2.516 20 0 HFADRO C[C@H](OC(=O)[C@H](C)N1CCc2ccccc21)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000788137810 1077062651 /nfs/dbraw/zinc/06/26/51/1077062651.db2.gz NQRDZEMQTAARMF-IPJJNNNSSA-N 1 0 421.541 2.760 20 0 HFADRO C[C@@H](C(=O)OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc21 ZINC000788139048 1077063133 /nfs/dbraw/zinc/06/31/33/1077063133.db2.gz ISQNNDHSMPGDPP-IBGZPJMESA-N 1 0 421.541 2.893 20 0 HFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NOCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000746731548 1077070572 /nfs/dbraw/zinc/07/05/72/1077070572.db2.gz RTLAOTFVCDXNGS-INIZCTEOSA-N 1 0 400.445 2.605 20 0 HFADRO COc1cc(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)ccc1OCC(N)=O ZINC000788242679 1077085328 /nfs/dbraw/zinc/08/53/28/1077085328.db2.gz QSZGGGDWMIVULA-DLBZAZTESA-N 1 0 421.538 2.875 20 0 HFADRO CCCNC(=O)CN1CCC([NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788250899 1077086641 /nfs/dbraw/zinc/08/66/41/1077086641.db2.gz XSAPHMSDEBJESR-MOPGFXCFSA-N 1 0 410.603 2.793 20 0 HFADRO CS(=O)(=O)c1cc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000788307365 1077093196 /nfs/dbraw/zinc/09/31/96/1077093196.db2.gz LHZOXJZMEXPFMA-OAHLLOKOSA-N 1 0 415.943 2.508 20 0 HFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000746740078 1077100815 /nfs/dbraw/zinc/10/08/15/1077100815.db2.gz CLRZWUPJCDLVQA-OAHLLOKOSA-N 1 0 402.461 2.710 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000788343914 1077111475 /nfs/dbraw/zinc/11/14/75/1077111475.db2.gz KXDLILWHQBNYQQ-UHFFFAOYSA-N 1 0 408.493 2.838 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000788346376 1077112651 /nfs/dbraw/zinc/11/26/51/1077112651.db2.gz YLUOZTQHOKEVON-UHFFFAOYSA-N 1 0 419.526 2.702 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000746746039 1077131382 /nfs/dbraw/zinc/13/13/82/1077131382.db2.gz COBOETIDSNZAQQ-NRFANRHFSA-N 1 0 416.566 2.565 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000788428761 1077143457 /nfs/dbraw/zinc/14/34/57/1077143457.db2.gz GLIHQDFHHJTIRD-KFKAGJAMSA-N 1 0 421.538 2.792 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000788436460 1077146564 /nfs/dbraw/zinc/14/65/64/1077146564.db2.gz LRTKEFXWHLXBNF-YPLULLRNSA-N 1 0 400.585 2.949 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)C2CC2)C1 ZINC000788439794 1077147335 /nfs/dbraw/zinc/14/73/35/1077147335.db2.gz YOZROEYNSSNCJW-AABGKKOBSA-N 1 0 421.582 2.782 20 0 HFADRO Cn1ccnc1[C@@](O)(CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F ZINC000788448071 1077162519 /nfs/dbraw/zinc/16/25/19/1077162519.db2.gz UUBMLFBVDCEVPF-MSOLQXFVSA-N 1 0 420.476 2.797 20 0 HFADRO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C2=O ZINC000788464534 1077168694 /nfs/dbraw/zinc/16/86/94/1077168694.db2.gz NIHSHPCQFXOBCZ-CGDJFSCRSA-N 1 0 412.534 2.519 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1Cl ZINC000788480286 1077174576 /nfs/dbraw/zinc/17/45/76/1077174576.db2.gz HRTFGQDRUOXMKH-UHFFFAOYSA-N 1 0 408.973 2.897 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788527285 1077202671 /nfs/dbraw/zinc/20/26/71/1077202671.db2.gz KSMVUVBFIPCCNV-UHFFFAOYSA-N 1 0 411.877 2.599 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NC(C)(C)C(=O)NCC2CCCC2)cc1 ZINC000788533704 1077205427 /nfs/dbraw/zinc/20/54/27/1077205427.db2.gz XUTLWJJSNHPMOH-SDNWHVSQSA-N 1 0 401.551 2.841 20 0 HFADRO CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788582037 1077211998 /nfs/dbraw/zinc/21/19/98/1077211998.db2.gz FDNGWADYWOAVRM-OAQYLSRUSA-N 1 0 417.575 2.506 20 0 HFADRO CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 ZINC000788607617 1077222513 /nfs/dbraw/zinc/22/25/13/1077222513.db2.gz WCTCZNWCVQRNKX-UZLBHIALSA-N 1 0 412.490 2.556 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)c(C)c1Cl ZINC000788649599 1077225575 /nfs/dbraw/zinc/22/55/75/1077225575.db2.gz KCAIFUKQIOVNSZ-UHFFFAOYSA-N 1 0 420.940 2.842 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000790924756 1077234470 /nfs/dbraw/zinc/23/44/70/1077234470.db2.gz AOUXQPWVUVRAGJ-OAQYLSRUSA-N 1 0 401.482 2.832 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788626496 1077235071 /nfs/dbraw/zinc/23/50/71/1077235071.db2.gz YVWDDVTZXUMSJC-PMACEKPBSA-N 1 0 410.518 2.567 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC[C@H](C4(C)OCCO4)C3)cc2)CC1 ZINC000790926804 1077235497 /nfs/dbraw/zinc/23/54/97/1077235497.db2.gz OUUQFEVUHXPKIT-IBGZPJMESA-N 1 0 417.550 2.844 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000788635950 1077240318 /nfs/dbraw/zinc/24/03/18/1077240318.db2.gz IZWUDRSHMCRWFM-UHFFFAOYSA-N 1 0 411.568 2.768 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@H]1C ZINC000788635437 1077240974 /nfs/dbraw/zinc/24/09/74/1077240974.db2.gz YJAIYKAHGLQWID-PWSUYJOCSA-N 1 0 408.973 2.990 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)C2=O)cc1 ZINC000788636568 1077241516 /nfs/dbraw/zinc/24/15/16/1077241516.db2.gz QTKXSASLWPVBTC-HXUWFJFHSA-N 1 0 401.532 2.531 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000790905910 1077243932 /nfs/dbraw/zinc/24/39/32/1077243932.db2.gz AEXUDQLTFKAJAV-ZSYWTGECSA-N 1 0 416.566 2.618 20 0 HFADRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000790905927 1077243952 /nfs/dbraw/zinc/24/39/52/1077243952.db2.gz RBMTXCXDKGRTJC-SFHVURJKSA-N 1 0 405.539 2.881 20 0 HFADRO COc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)ccc1OCC(N)=O ZINC000788641649 1077244168 /nfs/dbraw/zinc/24/41/68/1077244168.db2.gz KCNAVWVILXSCCX-RDJZCZTQSA-N 1 0 421.538 2.685 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788643163 1077244466 /nfs/dbraw/zinc/24/44/66/1077244466.db2.gz JLOVROOFLIYFQK-FFZOFVMBSA-N 1 0 410.518 2.569 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788643165 1077244724 /nfs/dbraw/zinc/24/47/24/1077244724.db2.gz JLOVROOFLIYFQK-UXPWSPDFSA-N 1 0 410.518 2.569 20 0 HFADRO O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000788643385 1077245056 /nfs/dbraw/zinc/24/50/56/1077245056.db2.gz KIEWXEWPIZHHNW-UHFFFAOYSA-N 1 0 405.848 2.867 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788676420 1077245987 /nfs/dbraw/zinc/24/59/87/1077245987.db2.gz UCYLRUNVHDCVNP-QAPCUYQASA-N 1 0 411.568 2.672 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3cccc4c[nH]nc43)cc2)CC1 ZINC000746948984 1077248251 /nfs/dbraw/zinc/24/82/51/1077248251.db2.gz CPPZPWUVJVNNRG-UHFFFAOYSA-N 1 0 407.474 2.500 20 0 HFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788681873 1077249276 /nfs/dbraw/zinc/24/92/76/1077249276.db2.gz ZQRJIASIITYYHW-CRAIPNDOSA-N 1 0 411.568 2.672 20 0 HFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788681876 1077249300 /nfs/dbraw/zinc/24/93/00/1077249300.db2.gz ZQRJIASIITYYHW-YJBOKZPZSA-N 1 0 411.568 2.672 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788690162 1077251760 /nfs/dbraw/zinc/25/17/60/1077251760.db2.gz WMCWJRNIVCSCNF-WTGUMLROSA-N 1 0 417.550 2.963 20 0 HFADRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000788690657 1077252488 /nfs/dbraw/zinc/25/24/88/1077252488.db2.gz KQQQTZHUNGGWTQ-IBGZPJMESA-N 1 0 411.502 2.955 20 0 HFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000788665002 1077259153 /nfs/dbraw/zinc/25/91/53/1077259153.db2.gz IJAPJAKQRGCKDX-CYBMUJFWSA-N 1 0 406.880 2.686 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c(C)c1Cl ZINC000788667513 1077261022 /nfs/dbraw/zinc/26/10/22/1077261022.db2.gz FXBSIVWLEMRCQU-UHFFFAOYSA-N 1 0 408.973 2.897 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CCN1C(=O)OC(C)(C)C ZINC000788671716 1077262382 /nfs/dbraw/zinc/26/23/82/1077262382.db2.gz NHSOYQRHDFXHKA-PKOBYXMFSA-N 1 0 414.506 2.903 20 0 HFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788712425 1077267939 /nfs/dbraw/zinc/26/79/39/1077267939.db2.gz UKAIORLRJYHOJR-GOSISDBHSA-N 1 0 414.550 2.942 20 0 HFADRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788713459 1077268118 /nfs/dbraw/zinc/26/81/18/1077268118.db2.gz VVPBFELPTNBYSN-QUCCMNQESA-N 1 0 405.539 2.807 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000790975599 1077268122 /nfs/dbraw/zinc/26/81/22/1077268122.db2.gz RGRWNZVOYMUDEF-QGZVFWFLSA-N 1 0 408.493 2.740 20 0 HFADRO CC(C)C[C@H](N[C@H](C)c1nc(Br)ccc1F)C(=O)NCC[NH+](C)C ZINC000788713115 1077268396 /nfs/dbraw/zinc/26/83/96/1077268396.db2.gz SUWXPUCXFJSDBP-OCCSQVGLSA-N 1 0 403.340 2.726 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)CCN1C(=O)OC(C)(C)C ZINC000788719210 1077270555 /nfs/dbraw/zinc/27/05/55/1077270555.db2.gz PTHAYLOEDIFEDP-IRXDYDNUSA-N 1 0 401.467 2.620 20 0 HFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788745984 1077288272 /nfs/dbraw/zinc/28/82/72/1077288272.db2.gz BOWPXJSMRXABCD-AZUAARDMSA-N 1 0 400.567 2.939 20 0 HFADRO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788804786 1077293579 /nfs/dbraw/zinc/29/35/79/1077293579.db2.gz YOZIMKPWURDTLF-PKOBYXMFSA-N 1 0 419.566 2.979 20 0 HFADRO CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2(O)CCCCC2)C1=O ZINC000788811956 1077295430 /nfs/dbraw/zinc/29/54/30/1077295430.db2.gz LWYCLQWOHZLCGW-RTBURBONSA-N 1 0 402.535 2.955 20 0 HFADRO CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788820390 1077308122 /nfs/dbraw/zinc/30/81/22/1077308122.db2.gz OAHVDYSOJHNKKP-BHDDXSALSA-N 1 0 406.530 2.874 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148097 1077308553 /nfs/dbraw/zinc/30/85/53/1077308553.db2.gz ZXUFUUHSTGQQLF-IAGOWNOFSA-N 1 0 407.559 2.565 20 0 HFADRO COCC1(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788826547 1077311255 /nfs/dbraw/zinc/31/12/55/1077311255.db2.gz FDISIJMLVGAXLL-SJORKVTESA-N 1 0 418.600 2.596 20 0 HFADRO O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791169693 1077325137 /nfs/dbraw/zinc/32/51/37/1077325137.db2.gz WTDMITQNKOYOIP-QFIPXVFZSA-N 1 0 413.493 2.789 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc(F)c1F ZINC000788881475 1077328521 /nfs/dbraw/zinc/32/85/21/1077328521.db2.gz IGLWTQVHHDTXFY-MRXNPFEDSA-N 1 0 404.479 2.540 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000788902470 1077345501 /nfs/dbraw/zinc/34/55/01/1077345501.db2.gz GXQVQKNNICRTEB-SFHVURJKSA-N 1 0 421.582 2.642 20 0 HFADRO C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000791303735 1077364715 /nfs/dbraw/zinc/36/47/15/1077364715.db2.gz GLHYTLGEICPHTA-UHFFFAOYSA-N 1 0 405.498 2.903 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1)CC(C)C ZINC000746781890 1077378170 /nfs/dbraw/zinc/37/81/70/1077378170.db2.gz NMTNWFUQLNQMCH-SFHVURJKSA-N 1 0 418.538 2.763 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC000791343422 1077380342 /nfs/dbraw/zinc/38/03/42/1077380342.db2.gz KZYJLCVZOAHLAU-IBGZPJMESA-N 1 0 417.550 2.842 20 0 HFADRO O=C(Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)[C@@H](O)c1ccccn1 ZINC000791346657 1077381500 /nfs/dbraw/zinc/38/15/00/1077381500.db2.gz WJSQKLRQQVPMAD-QHCPKHFHSA-N 1 0 417.513 2.513 20 0 HFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[NH+]1CCCCC1 ZINC000746786677 1077407338 /nfs/dbraw/zinc/40/73/38/1077407338.db2.gz KLXLGJWUBGOCEJ-INIZCTEOSA-N 1 0 414.481 2.729 20 0 HFADRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000791470315 1077443708 /nfs/dbraw/zinc/44/37/08/1077443708.db2.gz SZTCWOSBMFWDLX-YADHBBJMSA-N 1 0 422.529 2.506 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)C2)c1 ZINC000791540548 1077458883 /nfs/dbraw/zinc/45/88/83/1077458883.db2.gz LQWZDNLJEHUXBT-JOCHJYFZSA-N 1 0 408.502 2.574 20 0 HFADRO Cc1nn(C)c2nc(C)c(CCC(=O)OCCCN3CC[NH+](C(C)C)CC3)c(C)c12 ZINC000791568498 1077464842 /nfs/dbraw/zinc/46/48/42/1077464842.db2.gz AYJIUWAWDWHJFL-UHFFFAOYSA-N 1 0 415.582 2.785 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000789246545 1077470959 /nfs/dbraw/zinc/47/09/59/1077470959.db2.gz UGIRJYPQYAYNQV-MSOLQXFVSA-N 1 0 418.538 2.847 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(NC(=O)CC[NH+](C)C)cc3)C2)c1 ZINC000791545601 1077472498 /nfs/dbraw/zinc/47/24/98/1077472498.db2.gz HHLIRLNKOMMESF-HXUWFJFHSA-N 1 0 410.474 2.717 20 0 HFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3nc(Br)ccc3F)cc21 ZINC000791555643 1077477517 /nfs/dbraw/zinc/47/75/17/1077477517.db2.gz YXUJEVJOFUAJGP-UHFFFAOYSA-N 1 0 423.242 2.705 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCCC[NH+]3CCCCC3)C2)c1 ZINC000791587754 1077492831 /nfs/dbraw/zinc/49/28/31/1077492831.db2.gz FPKDHCNGABCWBL-NRFANRHFSA-N 1 0 403.523 2.969 20 0 HFADRO C[C@H](OC(=O)[C@H]1CC(=O)c2ccccc21)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789306120 1077507817 /nfs/dbraw/zinc/50/78/17/1077507817.db2.gz CAMXWZFYSWJMLA-CDXJDZJCSA-N 1 0 406.482 2.679 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)[C@@H]3CC(=O)c4ccccc43)CC2)cc1 ZINC000789305284 1077507884 /nfs/dbraw/zinc/50/78/84/1077507884.db2.gz XBUHUYZWEYACGJ-JOCHJYFZSA-N 1 0 420.509 2.943 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000789307553 1077508055 /nfs/dbraw/zinc/50/80/55/1077508055.db2.gz WUKPBVSISPIOME-QFIPXVFZSA-N 1 0 420.509 2.943 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](C[C@@H](O)C3CCCCC3)C2)CC1 ZINC000789310845 1077509412 /nfs/dbraw/zinc/50/94/12/1077509412.db2.gz WDEPJZDUNSHTMB-WOJBJXKFSA-N 1 0 423.598 2.719 20 0 HFADRO Cn1ccc(N2CCC[C@@H]([NH+]3CCC(COc4ccc(Cl)nc4)CC3)C2=O)n1 ZINC000789314247 1077511174 /nfs/dbraw/zinc/51/11/74/1077511174.db2.gz SDNZXVHCZKNCEU-QGZVFWFLSA-N 1 0 403.914 2.755 20 0 HFADRO Cn1ccc(N2CCC[C@H]([NH+]3CCC(COc4ccc(Cl)nc4)CC3)C2=O)n1 ZINC000789314246 1077511250 /nfs/dbraw/zinc/51/12/50/1077511250.db2.gz SDNZXVHCZKNCEU-KRWDZBQOSA-N 1 0 403.914 2.755 20 0 HFADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c1F ZINC000789386612 1077532527 /nfs/dbraw/zinc/53/25/27/1077532527.db2.gz CFAFAPRYOKGQLP-NSHDSACASA-N 1 0 400.292 2.826 20 0 HFADRO COc1cc2cc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)[nH]c2c(OC)c1OC ZINC000791700857 1077532683 /nfs/dbraw/zinc/53/26/83/1077532683.db2.gz AZRNPAHTEXCYIS-UHFFFAOYSA-N 1 0 419.522 2.767 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000791715558 1077536778 /nfs/dbraw/zinc/53/67/78/1077536778.db2.gz ADLDMJVKFNPTJX-UHFFFAOYSA-N 1 0 422.469 2.553 20 0 HFADRO C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000791717442 1077537391 /nfs/dbraw/zinc/53/73/91/1077537391.db2.gz YUTBZNYNGNGPLH-IMJJTQAJSA-N 1 0 401.429 2.957 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NC[C@H](O)c3ccc(Cl)cc3)cccc21 ZINC000789371938 1077542843 /nfs/dbraw/zinc/54/28/43/1077542843.db2.gz PDFAUGQKZHXCDP-ROUUACIJSA-N 1 0 417.893 2.514 20 0 HFADRO O=C(Nc1nc(-c2cccs2)cs1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746802819 1077544079 /nfs/dbraw/zinc/54/40/79/1077544079.db2.gz CXXLMQUIOULTIX-AWEZNQCLSA-N 1 0 420.560 2.570 20 0 HFADRO COC(=O)c1cc(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1F ZINC000746809882 1077551137 /nfs/dbraw/zinc/55/11/37/1077551137.db2.gz GGXLRLJVSSRVOK-HNNXBMFYSA-N 1 0 415.465 2.578 20 0 HFADRO COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000791827147 1077575641 /nfs/dbraw/zinc/57/56/41/1077575641.db2.gz XGJCOBMPNLAYPH-LJQANCHMSA-N 1 0 413.518 2.687 20 0 HFADRO CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000791829334 1077576560 /nfs/dbraw/zinc/57/65/60/1077576560.db2.gz VXIRYEZPLVHDES-INIZCTEOSA-N 1 0 406.935 2.995 20 0 HFADRO CC(C)[C@@H](C(=O)OCCCN1CC[NH+](C(C)C)CC1)S(=O)(=O)C1CCCCC1 ZINC000791841534 1077580945 /nfs/dbraw/zinc/58/09/45/1077580945.db2.gz GBDWHAPKDTZPAM-FQEVSTJZSA-N 1 0 416.628 2.718 20 0 HFADRO Cc1c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)nnn1-c1ccc2ncccc2c1 ZINC000791883309 1077585454 /nfs/dbraw/zinc/58/54/54/1077585454.db2.gz HJPMOBZTGIRIIN-UHFFFAOYSA-N 1 0 422.533 2.697 20 0 HFADRO CC(C)(CNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C[NH+]1CCCC1 ZINC000791896032 1077589680 /nfs/dbraw/zinc/58/96/80/1077589680.db2.gz WFTUHRGIAIMDOI-UHFFFAOYSA-N 1 0 422.533 2.692 20 0 HFADRO C[NH+](C)CCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000791869841 1077593049 /nfs/dbraw/zinc/59/30/49/1077593049.db2.gz KJHBTCGMXBOTHD-CQSZACIVSA-N 1 0 402.278 2.693 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2csc(I)c2)CC1 ZINC000791876556 1077595189 /nfs/dbraw/zinc/59/51/89/1077595189.db2.gz UEDAUKVKFAPSDS-UHFFFAOYSA-N 1 0 422.332 2.926 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OC[C@@H]1CCCS(=O)(=O)C1 ZINC000791877056 1077595483 /nfs/dbraw/zinc/59/54/83/1077595483.db2.gz XOMNDNQSIUWDKP-MSOLQXFVSA-N 1 0 409.548 2.921 20 0 HFADRO O=C(CCS(=O)(=O)c1ccc(F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791940439 1077600470 /nfs/dbraw/zinc/60/04/70/1077600470.db2.gz SSJHSSOITRFKKW-KDURUIRLSA-N 1 0 416.518 2.580 20 0 HFADRO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922694 1077612524 /nfs/dbraw/zinc/61/25/24/1077612524.db2.gz USMUKQFXFQWBCG-FZKQIMNGSA-N 1 0 408.428 2.640 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000791982244 1077621951 /nfs/dbraw/zinc/62/19/51/1077621951.db2.gz VBBBOAVMZNKQAX-YREZUPBBSA-N 1 0 424.545 2.630 20 0 HFADRO Cc1csc([C@@](O)(CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C(F)(F)F)n1 ZINC000746832337 1077649819 /nfs/dbraw/zinc/64/98/19/1077649819.db2.gz CNYOEDNPWYRIEV-YJBOKZPZSA-N 1 0 415.481 2.881 20 0 HFADRO CC(C)(C)OC(=O)NC1(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000746831996 1077656477 /nfs/dbraw/zinc/65/64/77/1077656477.db2.gz IBLNLNMEJNAGBR-UHFFFAOYSA-N 1 0 402.539 3.000 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000746830272 1077673883 /nfs/dbraw/zinc/67/38/83/1077673883.db2.gz ZEATXAZMKVGZFF-GOSISDBHSA-N 1 0 418.582 2.553 20 0 HFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000789557475 1077675987 /nfs/dbraw/zinc/67/59/87/1077675987.db2.gz IOYRCZDSTFLDAK-SFHVURJKSA-N 1 0 423.904 2.972 20 0 HFADRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c1 ZINC000789561134 1077679063 /nfs/dbraw/zinc/67/90/63/1077679063.db2.gz PRAXVVICRFWGDW-LJQANCHMSA-N 1 0 407.449 2.707 20 0 HFADRO CCOC(=O)c1cnn(C2CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC2)c1C ZINC001170161999 1077679815 /nfs/dbraw/zinc/67/98/15/1077679815.db2.gz OFKWZCHKHANWCI-HNNXBMFYSA-N 1 0 413.387 2.954 20 0 HFADRO C[C@@]1(c2ccc(Br)cc2)CC(=O)N(C[N@@H+]2CC[C@]3(C2)CCCOC3)C1=O ZINC000789563766 1077682898 /nfs/dbraw/zinc/68/28/98/1077682898.db2.gz GIKXQPDFTXORJQ-PMACEKPBSA-N 1 0 421.335 2.926 20 0 HFADRO C[C@H](C[C@H](O)c1ccccc1)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000789630968 1077710874 /nfs/dbraw/zinc/71/08/74/1077710874.db2.gz RFRSBEKCGUAXNS-XPGWFJOJSA-N 1 0 411.502 2.639 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000746842279 1077715397 /nfs/dbraw/zinc/71/53/97/1077715397.db2.gz MCOKQKQWMFKBIJ-QYZOEREBSA-N 1 0 410.603 2.506 20 0 HFADRO C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)CNC(=O)OC(C)(C)C ZINC000792142753 1077720610 /nfs/dbraw/zinc/72/06/10/1077720610.db2.gz KTSFWDSHPSGGHE-MJGOQNOKSA-N 1 0 404.555 2.969 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000746839667 1077723899 /nfs/dbraw/zinc/72/38/99/1077723899.db2.gz FKVIIJLZRKOAMT-AWEZNQCLSA-N 1 0 420.510 2.598 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000792170051 1077733348 /nfs/dbraw/zinc/73/33/48/1077733348.db2.gz CPYLVMDCUNBKLC-SJLPKXTDSA-N 1 0 409.324 2.512 20 0 HFADRO COC(=O)N1CCC([C@H](C)NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792177130 1077735991 /nfs/dbraw/zinc/73/59/91/1077735991.db2.gz BHFAVYHPTJMNFT-PKOBYXMFSA-N 1 0 402.539 2.675 20 0 HFADRO COc1cc[nH+]c(N2CCN(C(=O)CC3(NC(=O)OC(C)(C)C)CCC3)CC2)c1 ZINC000746848554 1077737159 /nfs/dbraw/zinc/73/71/59/1077737159.db2.gz VYSZEACTTVKBBM-UHFFFAOYSA-N 1 0 404.511 2.576 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)C2)c1 ZINC000792199291 1077742711 /nfs/dbraw/zinc/74/27/11/1077742711.db2.gz KKRDXRDEKJWIIQ-HRAATJIYSA-N 1 0 401.507 2.531 20 0 HFADRO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792225509 1077750841 /nfs/dbraw/zinc/75/08/41/1077750841.db2.gz JHBYZNBCOSBLRF-OALUTQOASA-N 1 0 402.539 2.817 20 0 HFADRO CC(C)COC(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792225362 1077751130 /nfs/dbraw/zinc/75/11/30/1077751130.db2.gz LGQDHBWDRJNZFV-HXUWFJFHSA-N 1 0 402.539 2.628 20 0 HFADRO COc1cc(OC)cc([C@H](O)CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000792228142 1077753273 /nfs/dbraw/zinc/75/32/73/1077753273.db2.gz SJDDDNCPMXATDP-PGRDOPGGSA-N 1 0 413.518 2.559 20 0 HFADRO COc1cc(OC)cc([C@H](O)CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000792228143 1077753367 /nfs/dbraw/zinc/75/33/67/1077753367.db2.gz SJDDDNCPMXATDP-XMSQKQJNSA-N 1 0 413.518 2.559 20 0 HFADRO CCc1c(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cnn1C(CC)CC ZINC000792236308 1077758543 /nfs/dbraw/zinc/75/85/43/1077758543.db2.gz JIMWBXSKVATKKS-GOSISDBHSA-N 1 0 419.570 2.505 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)Nc1cccc3c1OCC[C@H]3[NH+](C)C)CCC2 ZINC000789722518 1077759664 /nfs/dbraw/zinc/75/96/64/1077759664.db2.gz LSXUXCYNYIITGV-IAGOWNOFSA-N 1 0 414.531 2.969 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000792244996 1077762767 /nfs/dbraw/zinc/76/27/67/1077762767.db2.gz QYTDOFZFEWJLAM-UHFFFAOYSA-N 1 0 410.547 2.908 20 0 HFADRO CC(C)(C)OC(=O)NC(C)(C)c1noc([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000789767004 1077769007 /nfs/dbraw/zinc/76/90/07/1077769007.db2.gz DXTAEOFZLVHVJH-OAQYLSRUSA-N 1 0 402.495 2.923 20 0 HFADRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789770957 1077771408 /nfs/dbraw/zinc/77/14/08/1077771408.db2.gz SSFICEJKJQCOLG-GOSISDBHSA-N 1 0 408.289 2.662 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nc(Br)ccc1F ZINC000792285681 1077775578 /nfs/dbraw/zinc/77/55/78/1077775578.db2.gz OECXVFGNIROMHK-GOEBONIOSA-N 1 0 422.298 2.596 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N3CCC(O)(c4ccccc4)CC3)cccc21 ZINC000789745839 1077778868 /nfs/dbraw/zinc/77/88/68/1077778868.db2.gz HFAOYCUFAQANDR-HXUWFJFHSA-N 1 0 423.513 2.521 20 0 HFADRO CCC[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255298 1077781907 /nfs/dbraw/zinc/78/19/07/1077781907.db2.gz POVQECCHIRYQRF-QRVBRYPASA-N 1 0 404.551 2.744 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000789754975 1077786564 /nfs/dbraw/zinc/78/65/64/1077786564.db2.gz WBZGVINQLLHNPH-UHFFFAOYSA-N 1 0 423.557 2.571 20 0 HFADRO CCC1([NH+](C)C)CCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 ZINC001170164744 1077789495 /nfs/dbraw/zinc/78/94/95/1077789495.db2.gz JLROYONWTXOERQ-UHFFFAOYSA-N 1 0 416.547 2.976 20 0 HFADRO Cc1cc(F)ccc1-n1cc(O)c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)n1 ZINC000792304693 1077797163 /nfs/dbraw/zinc/79/71/63/1077797163.db2.gz APEOAQLMRBIKCO-UHFFFAOYSA-N 1 0 404.486 2.598 20 0 HFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1nc(Br)ccc1F ZINC000792309714 1077800191 /nfs/dbraw/zinc/80/01/91/1077800191.db2.gz RROPZCATCFBXCQ-HNNXBMFYSA-N 1 0 422.298 2.870 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000792330630 1077821331 /nfs/dbraw/zinc/82/13/31/1077821331.db2.gz DXGSPGCEGGRCCE-RTBURBONSA-N 1 0 412.571 2.656 20 0 HFADRO Cn1cc(N2CC[C@H]([NH+]3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)C2=O)cn1 ZINC000792331839 1077821522 /nfs/dbraw/zinc/82/15/22/1077821522.db2.gz QJUVMROHXDLKFK-SFHVURJKSA-N 1 0 417.554 2.639 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCN(C3CCOCC3)C1=O)CC2 ZINC000792334352 1077824048 /nfs/dbraw/zinc/82/40/48/1077824048.db2.gz XEEHBZPZOBBKLN-IBGZPJMESA-N 1 0 421.582 2.879 20 0 HFADRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789883560 1077834672 /nfs/dbraw/zinc/83/46/72/1077834672.db2.gz AFXJKRIWKZIRHT-FGZHOGPDSA-N 1 0 406.530 2.553 20 0 HFADRO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789883814 1077835634 /nfs/dbraw/zinc/83/56/34/1077835634.db2.gz CLJATWLVNOXIOP-RBNVVWFDSA-N 1 0 421.541 2.900 20 0 HFADRO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000772795245 1077836063 /nfs/dbraw/zinc/83/60/63/1077836063.db2.gz QDJBVSQVRNAHJV-UXHICEINSA-N 1 0 423.340 2.952 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2nc3cccnc3s2)CC1 ZINC000792384615 1077848328 /nfs/dbraw/zinc/84/83/28/1077848328.db2.gz OWEQECIMNXBTEL-UHFFFAOYSA-N 1 0 424.526 2.891 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000792425289 1077851259 /nfs/dbraw/zinc/85/12/59/1077851259.db2.gz NZRKQNJWUYKNAP-QUCCMNQESA-N 1 0 424.520 2.969 20 0 HFADRO C[C@H]1CN(c2ccnc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c2)C[C@H](C)O1 ZINC000789944262 1077862152 /nfs/dbraw/zinc/86/21/52/1077862152.db2.gz OVUZVERXNNDFIR-ROUUACIJSA-N 1 0 409.534 2.699 20 0 HFADRO O=C(CNC(=O)OCC(F)(F)F)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000746866032 1077864332 /nfs/dbraw/zinc/86/43/32/1077864332.db2.gz NUZNVVKJCCWPKB-LJQANCHMSA-N 1 0 413.440 2.790 20 0 HFADRO O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792499098 1077868430 /nfs/dbraw/zinc/86/84/30/1077868430.db2.gz UQRUHNVHAPOFSG-GFOMBABLSA-N 1 0 403.486 2.696 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)c1 ZINC000792473651 1077873210 /nfs/dbraw/zinc/87/32/10/1077873210.db2.gz BRKBQROHWRPOHN-QFIPXVFZSA-N 1 0 411.502 2.617 20 0 HFADRO C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)C1 ZINC001170124727 1077882319 /nfs/dbraw/zinc/88/23/19/1077882319.db2.gz HLMVRKHWQDOATR-MWHIGSEQSA-N 1 0 421.541 2.520 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000789993147 1077893663 /nfs/dbraw/zinc/89/36/63/1077893663.db2.gz SHZKRPKMCDFPCL-MTFMMBMASA-N 1 0 410.518 2.567 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000792550361 1077900316 /nfs/dbraw/zinc/90/03/16/1077900316.db2.gz PILDNTSGHFZBOH-UHFFFAOYSA-N 1 0 401.806 2.945 20 0 HFADRO COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000790007163 1077901470 /nfs/dbraw/zinc/90/14/70/1077901470.db2.gz OXTYPCAORKSOJT-HXUWFJFHSA-N 1 0 417.531 2.549 20 0 HFADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccn(CC(F)F)n1 ZINC000789974688 1077902392 /nfs/dbraw/zinc/90/23/92/1077902392.db2.gz WEOSYIIDRQNLQZ-UHFFFAOYSA-N 1 0 406.477 2.949 20 0 HFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790031974 1077904716 /nfs/dbraw/zinc/90/47/16/1077904716.db2.gz FSHIGRVMFSYYAQ-NRFANRHFSA-N 1 0 414.594 2.716 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)CCO1 ZINC001170215413 1077909047 /nfs/dbraw/zinc/90/90/47/1077909047.db2.gz BQUVLLNRAQVPJR-XUVXKRRUSA-N 1 0 403.567 2.926 20 0 HFADRO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC001170218013 1077909769 /nfs/dbraw/zinc/90/97/69/1077909769.db2.gz SIFONADMUYAXGT-FYYLOGMGSA-N 1 0 415.578 2.936 20 0 HFADRO CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001170218802 1077910269 /nfs/dbraw/zinc/91/02/69/1077910269.db2.gz VKLLCOSDTGJXME-TZIWHRDSSA-N 1 0 403.567 2.839 20 0 HFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000790009807 1077911755 /nfs/dbraw/zinc/91/17/55/1077911755.db2.gz HUAZXDNUZFQTSZ-HNNXBMFYSA-N 1 0 403.504 2.744 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000790015039 1077914059 /nfs/dbraw/zinc/91/40/59/1077914059.db2.gz UBCASOWQUXKDNK-KRWDZBQOSA-N 1 0 411.568 2.674 20 0 HFADRO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001170237375 1077914255 /nfs/dbraw/zinc/91/42/55/1077914255.db2.gz BRAIUVSTRWWZGB-BOLBYERCSA-N 1 0 422.570 2.815 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC)[C@H]3CC2)CCO1 ZINC001170222225 1077916547 /nfs/dbraw/zinc/91/65/47/1077916547.db2.gz PVAOFSSKRIPRIR-YRXWBPOGSA-N 1 0 408.564 2.880 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(OCC(F)(F)F)cc1 ZINC000790027817 1077918698 /nfs/dbraw/zinc/91/86/98/1077918698.db2.gz SPEBZNNXYDFNAL-UHFFFAOYSA-N 1 0 421.441 2.770 20 0 HFADRO CSCC[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccccc1Cl)C(N)=O ZINC001170266369 1077922375 /nfs/dbraw/zinc/92/23/75/1077922375.db2.gz NGNUIJATBDIZRY-WBAXXEDZSA-N 1 0 414.015 2.999 20 0 HFADRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])N=c2ccccn2C)cc1 ZINC001170270105 1077923809 /nfs/dbraw/zinc/92/38/09/1077923809.db2.gz SWJXYEVGTIXJLI-UHFFFAOYSA-N 1 0 412.490 2.793 20 0 HFADRO CNC(=O)[C@]12C[N@@H+]([C@H](C)Cc3ccccc3Cl)C[C@H]1N(c1ncccn1)CCC2 ZINC001170275502 1077926443 /nfs/dbraw/zinc/92/64/43/1077926443.db2.gz WNXKJEMMLMJLCL-ZWDAVXSWSA-N 1 0 413.953 2.778 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(Br)ccc1F ZINC000790048272 1077928878 /nfs/dbraw/zinc/92/88/78/1077928878.db2.gz CDBQWKCMLCJVNM-UHFFFAOYSA-N 1 0 420.304 2.731 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc(Br)cc2Br)O1 ZINC001170278739 1077934824 /nfs/dbraw/zinc/93/48/24/1077934824.db2.gz ZHPIPQJWFOQWOR-NQBHXWOUSA-N 1 0 409.122 2.743 20 0 HFADRO O=C(CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)N[C@H]1CCCc2ccccc21 ZINC001170280113 1077935767 /nfs/dbraw/zinc/93/57/67/1077935767.db2.gz AICAIZMGBUQDJA-AOIWGVFYSA-N 1 0 423.479 2.913 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001170285697 1077937549 /nfs/dbraw/zinc/93/75/49/1077937549.db2.gz UMAAOSXJDMTRSW-WQANXHIZSA-N 1 0 402.926 2.666 20 0 HFADRO C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)c1nnnn1C1CC1 ZINC000790114380 1077942249 /nfs/dbraw/zinc/94/22/49/1077942249.db2.gz QAJNQMWSYTXDJV-HOCLYGCPSA-N 1 0 403.556 2.903 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)c1cccc(C(F)(F)F)c1 ZINC001170320429 1077942257 /nfs/dbraw/zinc/94/22/57/1077942257.db2.gz MCMPBFFNTDUYOY-MRXNPFEDSA-N 1 0 404.396 2.714 20 0 HFADRO COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001170320917 1077942609 /nfs/dbraw/zinc/94/26/09/1077942609.db2.gz PZRWIFKJAOCLDF-USXIJHARSA-N 1 0 416.440 2.783 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)C1 ZINC001170334224 1077946340 /nfs/dbraw/zinc/94/63/40/1077946340.db2.gz YANLIXKOSHARAZ-IAGOWNOFSA-N 1 0 422.570 2.724 20 0 HFADRO CN(c1nnnn1C)c1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001170337144 1077947627 /nfs/dbraw/zinc/94/76/27/1077947627.db2.gz MCDJNEYEVLJWLH-OWZKRDHZSA-N 1 0 404.522 2.981 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001170349965 1077955580 /nfs/dbraw/zinc/95/55/80/1077955580.db2.gz VSTOJBHBYKDSBJ-ZWKOTPCHSA-N 1 0 407.555 2.536 20 0 HFADRO COc1ncc(Br)cc1C[NH2+]CCOCCCNC(=O)OC(C)(C)C ZINC001203332317 1077960813 /nfs/dbraw/zinc/96/08/13/1077960813.db2.gz PLMVEDMVGHCCJK-UHFFFAOYSA-N 1 0 418.332 2.874 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cccnc2-n2ccnc2)c1 ZINC000790150462 1077965248 /nfs/dbraw/zinc/96/52/48/1077965248.db2.gz YFCSVOLOVONNSZ-UHFFFAOYSA-N 1 0 408.506 2.549 20 0 HFADRO CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC001170401237 1077965304 /nfs/dbraw/zinc/96/53/04/1077965304.db2.gz ZIXSYVZXBXADJZ-LSDHHAIUSA-N 1 0 404.479 2.803 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000790212547 1077971669 /nfs/dbraw/zinc/97/16/69/1077971669.db2.gz YMXSQMTWFJXVAZ-FDFHNCONSA-N 1 0 411.550 2.775 20 0 HFADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001157732587 1077974112 /nfs/dbraw/zinc/97/41/12/1077974112.db2.gz KJGZZHFDBCXVMA-BBRMVZONSA-N 1 0 419.938 2.946 20 0 HFADRO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000790239825 1077974242 /nfs/dbraw/zinc/97/42/42/1077974242.db2.gz WPAZHOGXSSXTIM-YOEHRIQHSA-N 1 0 407.511 2.940 20 0 HFADRO [NH3+][C@H](CC(=O)N1C[C@H](CO)C[C@H](F)C1)Cc1ccc(OCc2ccccc2)cc1 ZINC001157731358 1077975176 /nfs/dbraw/zinc/97/51/76/1077975176.db2.gz UEWVTVLDKXOPIJ-HKBOAZHASA-N 1 0 400.494 2.704 20 0 HFADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000790233126 1077982223 /nfs/dbraw/zinc/98/22/23/1077982223.db2.gz BUQVIVSTZNLIEB-QGZVFWFLSA-N 1 0 423.922 2.886 20 0 HFADRO CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000790234192 1077982549 /nfs/dbraw/zinc/98/25/49/1077982549.db2.gz DCZNAYXWXZWHIW-SFHVURJKSA-N 1 0 419.503 2.506 20 0 HFADRO O=S(=O)(C[C@H]1CCCOC1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000792758348 1077987282 /nfs/dbraw/zinc/98/72/82/1077987282.db2.gz RLCYBUVQTUKTNG-INIZCTEOSA-N 1 0 416.971 2.529 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000772819891 1077988280 /nfs/dbraw/zinc/98/82/80/1077988280.db2.gz SQMVMUTYRIYQRG-KXBFYZLASA-N 1 0 422.620 2.582 20 0 HFADRO CC(C)n1nccc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792793418 1077993164 /nfs/dbraw/zinc/99/31/64/1077993164.db2.gz UTIAGSVXAKINQN-SFHVURJKSA-N 1 0 419.570 2.755 20 0 HFADRO C[N@H+]([C@@H]1CCN(C2CCOCC2)C1=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000790320475 1077996570 /nfs/dbraw/zinc/99/65/70/1077996570.db2.gz RSPDXKJGWFGNCD-ZZJWQFMZSA-N 1 0 407.555 2.629 20 0 HFADRO C[C@H]1C[N@H+](CCOc2ccc(CCNS(=O)(=O)C[C@@H]3CCCOC3)cc2)C[C@H]1C ZINC000792770789 1077997850 /nfs/dbraw/zinc/99/78/50/1077997850.db2.gz UCESCJYJCZEBKT-SVFBPWRDSA-N 1 0 424.607 2.542 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)C1CCCCC1 ZINC000790331081 1077998375 /nfs/dbraw/zinc/99/83/75/1077998375.db2.gz KRWBMGXOJOMHCU-MOPGFXCFSA-N 1 0 409.571 2.830 20 0 HFADRO C[NH+](C)C1(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CCCCC1 ZINC000792816747 1078003808 /nfs/dbraw/zinc/00/38/08/1078003808.db2.gz OPJWTSGXSYDXEI-BGYRXZFFSA-N 1 0 424.545 2.959 20 0 HFADRO C[C@@H]1COCCN1c1ccc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000792824184 1078006184 /nfs/dbraw/zinc/00/61/84/1078006184.db2.gz CLLIQBATGDYCSE-LJQANCHMSA-N 1 0 408.546 2.911 20 0 HFADRO C[C@@]1(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792858905 1078010261 /nfs/dbraw/zinc/01/02/61/1078010261.db2.gz MWFXEXUVVQPOKU-XMSQKQJNSA-N 1 0 400.523 2.571 20 0 HFADRO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790386012 1078011339 /nfs/dbraw/zinc/01/13/39/1078011339.db2.gz PAGPGNWFAHNPRI-QFIXIFRTSA-N 1 0 405.926 2.976 20 0 HFADRO Cc1ccc([C@H](CNS(=O)(=O)c2cccc3c2COC3=O)[NH+]2CCCC2)cc1 ZINC000747090289 1078016657 /nfs/dbraw/zinc/01/66/57/1078016657.db2.gz IARBLJBEIISLDR-IBGZPJMESA-N 1 0 400.500 2.781 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)[C@H]1CC(c2cccnc2)=NO1)[NH+]1CCCCC1 ZINC000790371255 1078017003 /nfs/dbraw/zinc/01/70/03/1078017003.db2.gz GMHMPEVNIXMFLQ-IFMALSPDSA-N 1 0 408.502 2.927 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)[C@H]1CC(c2cccnc2)=NO1)[NH+]1CCCCC1 ZINC000790371257 1078017020 /nfs/dbraw/zinc/01/70/20/1078017020.db2.gz GMHMPEVNIXMFLQ-RBBKRZOGSA-N 1 0 408.502 2.927 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000790372786 1078017216 /nfs/dbraw/zinc/01/72/16/1078017216.db2.gz BXWIMVIDBSZZIF-FGZHOGPDSA-N 1 0 411.550 2.633 20 0 HFADRO CN(Cc1cc(Br)ccc1F)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790374805 1078018028 /nfs/dbraw/zinc/01/80/28/1078018028.db2.gz ZNBGQZPWLYIDGJ-GOSISDBHSA-N 1 0 412.303 2.894 20 0 HFADRO C[C@@H]1OCC[C@@]12C[N@H+](Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407394 1078019779 /nfs/dbraw/zinc/01/97/79/1078019779.db2.gz RPMLETFEOMUGCB-BIENJYKASA-N 1 0 407.308 2.990 20 0 HFADRO O[C@H](C[C@@H]1COCCN1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873464 1078021864 /nfs/dbraw/zinc/02/18/64/1078021864.db2.gz SYNLGAVHWFVIEJ-YPAWHYETSA-N 1 0 400.519 2.695 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cn(-c3ccccc3)nn2)c1 ZINC000790419478 1078022332 /nfs/dbraw/zinc/02/23/32/1078022332.db2.gz BNZIYDAQXZXMAZ-UHFFFAOYSA-N 1 0 408.506 2.549 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000790424179 1078022787 /nfs/dbraw/zinc/02/27/87/1078022787.db2.gz KJHAWWPAXSLOKO-VOQZNFBZSA-N 1 0 411.550 2.631 20 0 HFADRO COc1ccc(C(=O)C2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000792945115 1078023292 /nfs/dbraw/zinc/02/32/92/1078023292.db2.gz VCIQCOJCPDZUQS-SFHVURJKSA-N 1 0 406.523 2.866 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000792945241 1078023389 /nfs/dbraw/zinc/02/33/89/1078023389.db2.gz XHMIFZCESDDQQP-AWEZNQCLSA-N 1 0 400.903 2.519 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000792914805 1078024907 /nfs/dbraw/zinc/02/49/07/1078024907.db2.gz SWKWBBYDOHSWOS-WOSRLPQWSA-N 1 0 421.847 2.555 20 0 HFADRO CS(=O)(=O)Nc1ccc(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000790462024 1078027381 /nfs/dbraw/zinc/02/73/81/1078027381.db2.gz BVIWLLVGTJNQCN-UHFFFAOYSA-N 1 0 417.531 2.949 20 0 HFADRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792937845 1078029374 /nfs/dbraw/zinc/02/93/74/1078029374.db2.gz ZZRYVYSXWZBMKY-GRDNDAEWSA-N 1 0 410.474 2.606 20 0 HFADRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792973824 1078030429 /nfs/dbraw/zinc/03/04/29/1078030429.db2.gz NYHDJSBVLDOLJO-NVXWUHKLSA-N 1 0 413.509 2.919 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792980235 1078031924 /nfs/dbraw/zinc/03/19/24/1078031924.db2.gz MJSNGOMCQIBWQP-HNNXBMFYSA-N 1 0 423.355 2.944 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@H](C[NH+]4CCCC4)C3)c2ccc1Br ZINC000790443301 1078033798 /nfs/dbraw/zinc/03/37/98/1078033798.db2.gz MFCHKSRUVPZSRJ-CQSZACIVSA-N 1 0 421.339 2.961 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792951936 1078033999 /nfs/dbraw/zinc/03/39/99/1078033999.db2.gz VHWDZRBRJAWHFE-UHFFFAOYSA-N 1 0 424.586 2.744 20 0 HFADRO CC[NH+]1CCC(CNC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792962129 1078036674 /nfs/dbraw/zinc/03/66/74/1078036674.db2.gz ZREQQSCKDFYOPP-JOCHJYFZSA-N 1 0 402.539 2.819 20 0 HFADRO Cc1ccc(C(=O)NC2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)s1 ZINC000792963118 1078036822 /nfs/dbraw/zinc/03/68/22/1078036822.db2.gz VTYGLRIHGDFLTG-INIZCTEOSA-N 1 0 411.568 2.526 20 0 HFADRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2cccc(Br)n2)c1 ZINC000792963703 1078036854 /nfs/dbraw/zinc/03/68/54/1078036854.db2.gz RAYQUTQJMBUWGP-UHFFFAOYSA-N 1 0 419.323 2.941 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000792963698 1078036903 /nfs/dbraw/zinc/03/69/03/1078036903.db2.gz QXLMMSWXELZVLD-UHFFFAOYSA-N 1 0 423.355 2.897 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000792962791 1078037034 /nfs/dbraw/zinc/03/70/34/1078037034.db2.gz PYUVWZASUDULCS-GOSISDBHSA-N 1 0 409.502 2.752 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nc1Br ZINC000792967627 1078037982 /nfs/dbraw/zinc/03/79/82/1078037982.db2.gz CQVZAYQDGHRPMS-SGMGOOAPSA-N 1 0 411.344 2.574 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792969870 1078039272 /nfs/dbraw/zinc/03/92/72/1078039272.db2.gz RZFSLBFYQKHWBT-HIFRSBDPSA-N 1 0 417.307 2.734 20 0 HFADRO NC(=O)[C@H](C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000790478233 1078040483 /nfs/dbraw/zinc/04/04/83/1078040483.db2.gz MAUWYPGQGOFRRL-IBGZPJMESA-N 1 0 413.493 2.861 20 0 HFADRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nnnn1C1CC1 ZINC000790479668 1078040982 /nfs/dbraw/zinc/04/09/82/1078040982.db2.gz QGPYMFRDULLONS-JQERWDHBSA-N 1 0 409.538 2.669 20 0 HFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1cccc(Br)n1 ZINC000792987777 1078041313 /nfs/dbraw/zinc/04/13/13/1078041313.db2.gz XKVXVSGXPLMJPC-OAHLLOKOSA-N 1 0 417.307 2.563 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000790483479 1078041803 /nfs/dbraw/zinc/04/18/03/1078041803.db2.gz GRFOSADHZMHTMP-NJNPRVFISA-N 1 0 402.539 2.629 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000790483484 1078041814 /nfs/dbraw/zinc/04/18/14/1078041814.db2.gz GRFOSADHZMHTMP-SPEDKVCISA-N 1 0 402.539 2.629 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000806231507 1079511532 /nfs/dbraw/zinc/51/15/32/1079511532.db2.gz NCIRYZGZBTXAPP-UHFFFAOYSA-N 1 0 404.555 2.660 20 0 HFADRO Cc1cc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)ccc1N1C(=O)CCC1=O ZINC000806268304 1079531980 /nfs/dbraw/zinc/53/19/80/1079531980.db2.gz BHAKNFNGWDVUNI-UHFFFAOYSA-N 1 0 406.486 2.997 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000806270962 1079532842 /nfs/dbraw/zinc/53/28/42/1079532842.db2.gz KGYAWMFFFKPGKY-LPHOPBHVSA-N 1 0 413.440 2.961 20 0 HFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3[C@H](C)C[N@H+](C)[C@H](C)[C@H]3C)c2)C1 ZINC001130584551 1079557947 /nfs/dbraw/zinc/55/79/47/1079557947.db2.gz CDBLAHKOUJTIJL-RHQZKXFESA-N 1 0 421.607 2.906 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000806310808 1079564763 /nfs/dbraw/zinc/56/47/63/1079564763.db2.gz JBOPXFHQZJXIIF-QUCCMNQESA-N 1 0 418.538 2.752 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000806287538 1079572744 /nfs/dbraw/zinc/57/27/44/1079572744.db2.gz DYOWXDUGYZTNPK-GQVHDAKQSA-N 1 0 410.927 2.626 20 0 HFADRO O=C(CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)NCc1ccccc1 ZINC000747324983 1079591978 /nfs/dbraw/zinc/59/19/78/1079591978.db2.gz VCPWRTQJCLQVIL-OAQYLSRUSA-N 1 0 419.447 2.874 20 0 HFADRO Cc1cc(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000806333073 1079604274 /nfs/dbraw/zinc/60/42/74/1079604274.db2.gz DZEGAUIOLRGIEJ-RDJZCZTQSA-N 1 0 420.558 2.978 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)c1 ZINC000806333390 1079604992 /nfs/dbraw/zinc/60/49/92/1079604992.db2.gz IGJCVABXMMELMF-UHFFFAOYSA-N 1 0 400.483 2.958 20 0 HFADRO Cc1ccc2nc(COc3cccc(C(=O)NC[C@@H]4C[N@@H+]5CCC[C@H]5CO4)c3)cn2c1 ZINC000747326643 1079631313 /nfs/dbraw/zinc/63/13/13/1079631313.db2.gz TYQHMUDCIIJBAG-RBBKRZOGSA-N 1 0 420.513 2.815 20 0 HFADRO C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001130613975 1079641649 /nfs/dbraw/zinc/64/16/49/1079641649.db2.gz NZMUACPKKBASQB-HTAPYJJXSA-N 1 0 400.544 2.974 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000806372716 1079659781 /nfs/dbraw/zinc/65/97/81/1079659781.db2.gz VYJQXKDSBZXXSK-HXUWFJFHSA-N 1 0 402.539 2.880 20 0 HFADRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1 ZINC000806422553 1079667209 /nfs/dbraw/zinc/66/72/09/1079667209.db2.gz VWZXEFZVAYXSSV-MRXNPFEDSA-N 1 0 401.429 2.899 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCCC[C@H]3COC(=O)NC)c2)CC1 ZINC000806430823 1079677372 /nfs/dbraw/zinc/67/73/72/1079677372.db2.gz BVPOEWMUIFQYNC-IBGZPJMESA-N 1 0 403.527 2.571 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000806407724 1079695804 /nfs/dbraw/zinc/69/58/04/1079695804.db2.gz XOTZNNBFXDETMX-UHFFFAOYSA-N 1 0 404.433 2.692 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000806502593 1079754406 /nfs/dbraw/zinc/75/44/06/1079754406.db2.gz HHDRPCVVXMJJKQ-AQNXPRMDSA-N 1 0 421.969 2.601 20 0 HFADRO C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc[nH]1 ZINC000806528053 1079801598 /nfs/dbraw/zinc/80/15/98/1079801598.db2.gz VDWKKRIDECVFLK-WRSAYESZSA-N 1 0 406.889 2.794 20 0 HFADRO CS[C@H]1CN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C[C@@H]1[NH+](C)C ZINC000772847540 1079804631 /nfs/dbraw/zinc/80/46/31/1079804631.db2.gz TXAMPWSCOADFMG-ROUUACIJSA-N 1 0 419.591 2.553 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCCc2cccc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000806580575 1079812671 /nfs/dbraw/zinc/81/26/71/1079812671.db2.gz JMPIOXDEMUVMBR-VWLOTQADSA-N 1 0 418.541 2.855 20 0 HFADRO COC(=O)[C@@H]1CO[C@H](CCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)C1 ZINC001130673271 1079823903 /nfs/dbraw/zinc/82/39/03/1079823903.db2.gz SORSZRWNRJGDLW-GCGJSEPQSA-N 1 0 402.535 2.855 20 0 HFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000806598373 1079840859 /nfs/dbraw/zinc/84/08/59/1079840859.db2.gz IBODJXGDTWALNC-UHFFFAOYSA-N 1 0 408.974 2.754 20 0 HFADRO O=C(NCCc1ccc(Cl)nc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000806603739 1079846393 /nfs/dbraw/zinc/84/63/93/1079846393.db2.gz WPRTUDCBGDGMQB-SFHVURJKSA-N 1 0 406.958 2.508 20 0 HFADRO O=C(NCCO[C@H]1CC1(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001130690435 1079852195 /nfs/dbraw/zinc/85/21/95/1079852195.db2.gz PXFXFZYSAMDWIK-ZACQAIPSSA-N 1 0 407.486 2.899 20 0 HFADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747341694 1079876259 /nfs/dbraw/zinc/87/62/59/1079876259.db2.gz HKBLIESKTQHYHR-MSOLQXFVSA-N 1 0 402.926 2.795 20 0 HFADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679591 1079908929 /nfs/dbraw/zinc/90/89/29/1079908929.db2.gz DIAINYLXLAJBCX-HOCLYGCPSA-N 1 0 419.740 2.945 20 0 HFADRO C[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806722468 1079946107 /nfs/dbraw/zinc/94/61/07/1079946107.db2.gz YUABEWXTSXALTG-CEXWTWQISA-N 1 0 422.614 2.506 20 0 HFADRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806730377 1079955186 /nfs/dbraw/zinc/95/51/86/1079955186.db2.gz OTEAJZXNCGQJGB-OAQYLSRUSA-N 1 0 423.557 2.511 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000806769262 1079988589 /nfs/dbraw/zinc/98/85/89/1079988589.db2.gz HCSRTTQORUJADK-SFHVURJKSA-N 1 0 424.586 2.720 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC[N@@H+](C)CC(C)C ZINC001130731035 1080002940 /nfs/dbraw/zinc/00/29/40/1080002940.db2.gz XLFKVWKNBQAOBX-UHFFFAOYSA-N 1 0 409.596 2.877 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806788159 1080010136 /nfs/dbraw/zinc/01/01/36/1080010136.db2.gz DHXJANQMNKIAMZ-FCHUYYIVSA-N 1 0 415.578 2.790 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000806789106 1080010480 /nfs/dbraw/zinc/01/04/80/1080010480.db2.gz MMSQUPIKXMHGIX-HSALFYBXSA-N 1 0 417.550 2.607 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000806789108 1080010520 /nfs/dbraw/zinc/01/05/20/1080010520.db2.gz MMSQUPIKXMHGIX-SLFFLAALSA-N 1 0 417.550 2.607 20 0 HFADRO CCc1ccc([C@H](COC)NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)o1 ZINC000806794435 1080014414 /nfs/dbraw/zinc/01/44/14/1080014414.db2.gz QIWWMXVKZVGTIM-TVPLGVNVSA-N 1 0 405.539 2.559 20 0 HFADRO CC(C)OC(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000806796317 1080015507 /nfs/dbraw/zinc/01/55/07/1080015507.db2.gz ZCILDDYLXSCWPQ-FXAWDEMLSA-N 1 0 402.539 2.958 20 0 HFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCC12OCCO2 ZINC000806813220 1080026459 /nfs/dbraw/zinc/02/64/59/1080026459.db2.gz QXTBPUALRAIAQM-LJQANCHMSA-N 1 0 407.942 2.512 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806814616 1080026858 /nfs/dbraw/zinc/02/68/58/1080026858.db2.gz SHSOGJAOSNVCAM-WOJBJXKFSA-N 1 0 424.586 2.720 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCCN(c2ccccc2F)CC1 ZINC000806814355 1080026920 /nfs/dbraw/zinc/02/69/20/1080026920.db2.gz OTINRSZFASBILG-LJQANCHMSA-N 1 0 404.530 2.691 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000806813965 1080027438 /nfs/dbraw/zinc/02/74/38/1080027438.db2.gz FZTYFHHIMURANE-BJESRGMDSA-N 1 0 413.562 2.844 20 0 HFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000806834682 1080047095 /nfs/dbraw/zinc/04/70/95/1080047095.db2.gz FQADHEJMZUPWAQ-RTBURBONSA-N 1 0 418.582 2.641 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000806869570 1080070069 /nfs/dbraw/zinc/07/00/69/1080070069.db2.gz XKWWCQFAUWFSTK-LJQANCHMSA-N 1 0 409.530 2.881 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCc2c(C)cccc2F)c1 ZINC000806922855 1080090063 /nfs/dbraw/zinc/09/00/63/1080090063.db2.gz UUZONHMTZNBLIT-UHFFFAOYSA-N 1 0 414.481 2.669 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000806933795 1080117291 /nfs/dbraw/zinc/11/72/91/1080117291.db2.gz HGDYZNWYTKWNSY-LJQANCHMSA-N 1 0 424.586 2.531 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806913676 1080117816 /nfs/dbraw/zinc/11/78/16/1080117816.db2.gz CITDXIKXKFBPNV-GOSISDBHSA-N 1 0 409.530 2.976 20 0 HFADRO CC(C)Oc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cs2)cc1 ZINC001130806381 1080175501 /nfs/dbraw/zinc/17/55/01/1080175501.db2.gz JRWAILHGRKMFIU-UHFFFAOYSA-N 1 0 418.563 2.689 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807003157 1080181727 /nfs/dbraw/zinc/18/17/27/1080181727.db2.gz WKYLXJGAIZEPKU-OAQYLSRUSA-N 1 0 424.545 2.761 20 0 HFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCCC[C@H]2COC(=O)N(C)C)CC1 ZINC000807007330 1080206833 /nfs/dbraw/zinc/20/68/33/1080206833.db2.gz GDQSEZOLDLUPLV-XLIONFOSSA-N 1 0 417.554 2.869 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000807054191 1080238155 /nfs/dbraw/zinc/23/81/55/1080238155.db2.gz GCDRFDYZUFNWQG-YSIASYRMSA-N 1 0 403.592 2.757 20 0 HFADRO C[NH+]1CCC2(CCCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)CC(C)(C)O4)C2)CC1 ZINC000807072381 1080255660 /nfs/dbraw/zinc/25/56/60/1080255660.db2.gz OHSZVIPMUJRKNY-UHFFFAOYSA-N 1 0 413.518 2.703 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807084141 1080262225 /nfs/dbraw/zinc/26/22/25/1080262225.db2.gz MQUHNHFUOXLTCJ-SXLOBPIMSA-N 1 0 402.539 2.817 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000807085490 1080262574 /nfs/dbraw/zinc/26/25/74/1080262574.db2.gz WPSIOUVGEACSJB-QFIPXVFZSA-N 1 0 413.562 2.747 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000747373352 1080268165 /nfs/dbraw/zinc/26/81/65/1080268165.db2.gz LEIKUFLCHLIDBD-XOKHGSTOSA-N 1 0 419.913 2.659 20 0 HFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000807091954 1080270752 /nfs/dbraw/zinc/27/07/52/1080270752.db2.gz QDVYPZZERGNJLV-SFTDATJTSA-N 1 0 401.551 2.603 20 0 HFADRO C[C@H](CCNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[NH+]1CCCCC1 ZINC000807107415 1080285860 /nfs/dbraw/zinc/28/58/60/1080285860.db2.gz ZKHQZHNAPPJZOW-FZKCQIBNSA-N 1 0 406.493 2.738 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807113974 1080290409 /nfs/dbraw/zinc/29/04/09/1080290409.db2.gz JIWQMWYKYJCLSA-VQIMIIECSA-N 1 0 414.937 2.686 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)CCc1ccccc1F ZINC000807114675 1080291633 /nfs/dbraw/zinc/29/16/33/1080291633.db2.gz YUSKBROQSIPJAQ-GCJKJVERSA-N 1 0 411.521 2.853 20 0 HFADRO CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000807129349 1080295744 /nfs/dbraw/zinc/29/57/44/1080295744.db2.gz CVERVXUBWUTWAS-MJGOQNOKSA-N 1 0 406.527 2.607 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000807149134 1080302896 /nfs/dbraw/zinc/30/28/96/1080302896.db2.gz SZTAHAJNTAXAOH-KPFFTGBYSA-N 1 0 420.554 2.854 20 0 HFADRO C[C@H]1C[C@@H](CCNC(=O)c2ccc(C(N)=O)c(Cl)n2)C[N@@H+]1Cc1ccccc1 ZINC000807149640 1080306864 /nfs/dbraw/zinc/30/68/64/1080306864.db2.gz CKWUYDKRXLUGIZ-GOEBONIOSA-N 1 0 400.910 2.864 20 0 HFADRO CCOc1ccc([C@H](O)C2CCN(CC(=O)N3C[C@@H](C)OC(C)(C)C3)CC2)cc1 ZINC001170518730 1080309820 /nfs/dbraw/zinc/30/98/20/1080309820.db2.gz JIGPEKFNYXRTHD-VGSWGCGISA-N 1 0 404.551 2.857 20 0 HFADRO CCCCC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001130873582 1080351048 /nfs/dbraw/zinc/35/10/48/1080351048.db2.gz UBCDNXGLCJFWCU-MIKCSNIASA-N 1 0 402.539 2.525 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)C2)cc1F ZINC000807214040 1080363032 /nfs/dbraw/zinc/36/30/32/1080363032.db2.gz KPRYFVZKCVRDEN-ALKREAHSSA-N 1 0 404.486 2.596 20 0 HFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000807180414 1080374111 /nfs/dbraw/zinc/37/41/11/1080374111.db2.gz JXVFTTDGRLLOEL-CQSZACIVSA-N 1 0 422.469 2.740 20 0 HFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)c2)CC1 ZINC000807181867 1080374652 /nfs/dbraw/zinc/37/46/52/1080374652.db2.gz YEAMQDVQPCUITO-KRWDZBQOSA-N 1 0 412.456 2.709 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000807182008 1080374796 /nfs/dbraw/zinc/37/47/96/1080374796.db2.gz WBVGVYCQUDRFGY-SIKLNZKXSA-N 1 0 403.567 2.951 20 0 HFADRO CCOC(=O)C1=C(Nc2ccccc2CS(=O)(=O)c2ccccc2)CC[NH2+]C1 ZINC001170520416 1080393344 /nfs/dbraw/zinc/39/33/44/1080393344.db2.gz HDFMBCZXADSKLZ-UHFFFAOYSA-N 1 0 400.500 2.883 20 0 HFADRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747387117 1080459085 /nfs/dbraw/zinc/45/90/85/1080459085.db2.gz FALDINCDJZRPHW-UHFFFAOYSA-N 1 0 400.523 2.525 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccccc1-c1noc(C)n1)c1ccco1 ZINC000807310529 1080505211 /nfs/dbraw/zinc/50/52/11/1080505211.db2.gz LPFOUEILZMAPJC-SUMWQHHRSA-N 1 0 411.462 2.822 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCCCc2ccccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000807314272 1080507064 /nfs/dbraw/zinc/50/70/64/1080507064.db2.gz ADZBREJMSXKDJI-XMMPIXPASA-N 1 0 411.521 2.903 20 0 HFADRO CCOC(=O)C1=C(Nc2cc(C(=O)N(C)C)ccn2)CC[N@H+](Cc2ccccc2)C1 ZINC001170521722 1080507093 /nfs/dbraw/zinc/50/70/93/1080507093.db2.gz MJYVFCUPWMEPGL-UHFFFAOYSA-N 1 0 408.502 2.918 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000807354199 1080514867 /nfs/dbraw/zinc/51/48/67/1080514867.db2.gz GYLPBCCMXVRQSD-FXAWDEMLSA-N 1 0 408.502 2.684 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000807358687 1080520533 /nfs/dbraw/zinc/52/05/33/1080520533.db2.gz CQWRBDSBRIQVIR-UHFFFAOYSA-N 1 0 418.929 2.584 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000807353001 1080559278 /nfs/dbraw/zinc/55/92/78/1080559278.db2.gz CHTKQCZLEWFLFZ-RDJZCZTQSA-N 1 0 404.942 2.964 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc2ccccc2nc1Br ZINC000807394610 1080561480 /nfs/dbraw/zinc/56/14/80/1080561480.db2.gz UXORLKMUTVHTTR-AWEZNQCLSA-N 1 0 419.323 2.926 20 0 HFADRO C[C@@H](O)c1cc(NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)ccc1F ZINC000807399244 1080594012 /nfs/dbraw/zinc/59/40/12/1080594012.db2.gz GRFYEFFKCLRPTI-CQSZACIVSA-N 1 0 403.454 2.787 20 0 HFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1N1CCSCC1 ZINC000807453019 1080633491 /nfs/dbraw/zinc/63/34/91/1080633491.db2.gz CZJHPWQTNUOEIW-PXNSSMCTSA-N 1 0 416.591 2.572 20 0 HFADRO CC(C)CCn1nccc1NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000807468493 1080646680 /nfs/dbraw/zinc/64/66/80/1080646680.db2.gz VPPLFWSMOLLJGN-UHFFFAOYSA-N 1 0 412.538 2.648 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)c1ccco1 ZINC000807442070 1080662470 /nfs/dbraw/zinc/66/24/70/1080662470.db2.gz VMFBJZQECZNYEH-BHYGNILZSA-N 1 0 417.506 2.985 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)c1ccco1 ZINC000807442375 1080662556 /nfs/dbraw/zinc/66/25/56/1080662556.db2.gz ZDBSNUWJEOGNHU-JCHJZTRSSA-N 1 0 403.527 2.740 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)c1ccco1 ZINC000807441943 1080663340 /nfs/dbraw/zinc/66/33/40/1080663340.db2.gz SBDLDYKHXIZWPK-BMFAXAFESA-N 1 0 403.527 2.598 20 0 HFADRO COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000807486763 1080670251 /nfs/dbraw/zinc/67/02/51/1080670251.db2.gz WGEQIPURMFJUCR-QGZVFWFLSA-N 1 0 421.856 2.623 20 0 HFADRO CC1CC[NH+](C2CCC(NC(=O)C(=O)NCC[C@](C)(O)c3ccccc3)CC2)CC1 ZINC000807496959 1080692598 /nfs/dbraw/zinc/69/25/98/1080692598.db2.gz FAEWZZAPQQXDGH-VUNKPPBISA-N 1 0 415.578 2.560 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1)C(C)C ZINC000807508503 1080713273 /nfs/dbraw/zinc/71/32/73/1080713273.db2.gz DTHUOBQIOCEEHP-UHFFFAOYSA-N 1 0 403.567 2.558 20 0 HFADRO CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543973 1080759704 /nfs/dbraw/zinc/75/97/04/1080759704.db2.gz PEMTXFOYQOQRSZ-LAUBAEHRSA-N 1 0 423.513 2.971 20 0 HFADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000807543668 1080760423 /nfs/dbraw/zinc/76/04/23/1080760423.db2.gz KBESXDLCMQSSRL-VQIMIIECSA-N 1 0 421.476 2.729 20 0 HFADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000807543661 1080760586 /nfs/dbraw/zinc/76/05/86/1080760586.db2.gz KBESXDLCMQSSRL-APWZRJJASA-N 1 0 421.476 2.729 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000807549656 1080765455 /nfs/dbraw/zinc/76/54/55/1080765455.db2.gz GMCIXFMIQQEPOD-LAUBAEHRSA-N 1 0 412.575 2.576 20 0 HFADRO COC[C@@]1(CNC(=O)N2CCC([NH2+]C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807550254 1080766010 /nfs/dbraw/zinc/76/60/10/1080766010.db2.gz FCGJCBGQJURWRW-NRFANRHFSA-N 1 0 412.575 2.575 20 0 HFADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000747404059 1080770948 /nfs/dbraw/zinc/77/09/48/1080770948.db2.gz ZFVLHGRHHZWFMF-FQEVSTJZSA-N 1 0 402.539 2.771 20 0 HFADRO CC(C)Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccnn2CC2CC2)[NH+](C)C)cc1 ZINC000807525119 1080777216 /nfs/dbraw/zinc/77/72/16/1080777216.db2.gz VTPAVBRZGCZNFD-FQEVSTJZSA-N 1 0 411.550 2.849 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1CCN(C(=O)OC)CC1 ZINC000807526138 1080778150 /nfs/dbraw/zinc/77/81/50/1080778150.db2.gz SFPUDAGUBNRHIW-HXUWFJFHSA-N 1 0 417.554 2.556 20 0 HFADRO CCN(C(=O)NCC1CCN(C(=O)OC)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807525778 1080779077 /nfs/dbraw/zinc/77/90/77/1080779077.db2.gz RMMIPHKRQDBVII-HXUWFJFHSA-N 1 0 402.539 2.771 20 0 HFADRO CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cncn1C ZINC001130995957 1080799745 /nfs/dbraw/zinc/79/97/45/1080799745.db2.gz UNQWCUVJCIAQNJ-FDKIHUSFSA-N 1 0 400.567 2.579 20 0 HFADRO C[C@H](NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc(OC(F)(F)F)c1 ZINC000807554132 1080803950 /nfs/dbraw/zinc/80/39/50/1080803950.db2.gz BTTXUSVFFNLDMS-JEYLPNPQSA-N 1 0 413.440 2.896 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000807557684 1080810476 /nfs/dbraw/zinc/81/04/76/1080810476.db2.gz GPJGNUGEXMPQED-QGZVFWFLSA-N 1 0 414.937 2.783 20 0 HFADRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000474003122 1126094632 /nfs/dbraw/zinc/09/46/32/1126094632.db2.gz XWHANDPIYNPGLS-LJQANCHMSA-N 1 0 405.336 2.979 20 0 HFADRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000479444882 1126094674 /nfs/dbraw/zinc/09/46/74/1126094674.db2.gz KAFZJAMZIYEVIU-HXUWFJFHSA-N 1 0 404.938 2.744 20 0 HFADRO Cc1csc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cc(=O)n12 ZINC001176589578 1126149880 /nfs/dbraw/zinc/14/98/80/1126149880.db2.gz XIVGBQZHJUXFLK-GOSISDBHSA-N 1 0 422.348 2.910 20 0 HFADRO Cc1ccc(C[C@H](CO)[NH2+]Cc2c(CNC(=O)OC(C)(C)C)cnn2C)cc1C ZINC001182204357 1126153074 /nfs/dbraw/zinc/15/30/74/1126153074.db2.gz QBQZIFUGZNSUMM-LJQANCHMSA-N 1 0 402.539 2.755 20 0 HFADRO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC001308378742 1126165691 /nfs/dbraw/zinc/16/56/91/1126165691.db2.gz ODWLWXZUVILPOF-RDTXWAMCSA-N 1 0 421.335 2.656 20 0 HFADRO COC(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)n1C ZINC001461633840 1126195499 /nfs/dbraw/zinc/19/54/99/1126195499.db2.gz OAZHWKZUUYWCAT-IBGZPJMESA-N 1 0 407.308 2.584 20 0 HFADRO Cn1cc(-c2cc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)on2)cn1 ZINC001560183392 1126209034 /nfs/dbraw/zinc/20/90/34/1126209034.db2.gz OFOCJDZVZJXXKG-GOSISDBHSA-N 1 0 405.296 2.921 20 0 HFADRO FC(F)(Oc1ccc2nc(Cl)c(Cl)nc2c1)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164389827 718822782 /nfs/dbraw/zinc/82/27/82/718822782.db2.gz JTYATNNMCMCZMU-AAEUAGOBSA-N 1 0 405.232 2.928 20 0 HFADRO FC(F)(c1ccc2ncnc(Cl)c2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416333 718884922 /nfs/dbraw/zinc/88/49/22/718884922.db2.gz VFHLWFOAKPRTAA-UHFFFAOYSA-N 1 0 405.840 2.519 20 0 HFADRO [NH3+][C@]12C[C@H]1CN([C@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)C2 ZINC001164420775 718887482 /nfs/dbraw/zinc/88/74/82/718887482.db2.gz VSMKWAFMCSBOED-FASAQXTFSA-N 1 0 408.308 2.955 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164434832 718967783 /nfs/dbraw/zinc/96/77/83/718967783.db2.gz WAUJSRTYEDCGAG-UONOGXRCSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164618309 719007428 /nfs/dbraw/zinc/00/74/28/719007428.db2.gz SDVFMCSRSUKDKU-FZKQIMNGSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)nc3)CC2)CC1 ZINC001164614128 719023243 /nfs/dbraw/zinc/02/32/43/719023243.db2.gz NPCGNABEWAVGJL-UHFFFAOYSA-N 1 0 402.873 2.919 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(Cn4ccccc4=O)cn3)CC2)CC1 ZINC001164618617 719032614 /nfs/dbraw/zinc/03/26/14/719032614.db2.gz VXHQDMQHOPXFAR-UHFFFAOYSA-N 1 0 424.545 2.536 20 0 HFADRO CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164626949 719052504 /nfs/dbraw/zinc/05/25/04/719052504.db2.gz SJYVWJFCLPDACA-HOTGVXAUSA-N 1 0 406.939 2.634 20 0 HFADRO [NH3+]C1([C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)C[C@H]2CF)CC1 ZINC001164630457 719118280 /nfs/dbraw/zinc/11/82/80/719118280.db2.gz WRMASSLLRWSFOH-DGCLKSJQSA-N 1 0 418.847 2.755 20 0 HFADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)cnc1Cl ZINC001164619581 719127141 /nfs/dbraw/zinc/12/71/41/719127141.db2.gz FQUUIKWYMOBNNY-CMPLNLGQSA-N 1 0 411.877 2.587 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H](C)[N@H+](C)C[C@H]3C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164635595 719226155 /nfs/dbraw/zinc/22/61/55/719226155.db2.gz JFUYCKDUQIDRFK-ZJIFWQFVSA-N 1 0 422.524 2.755 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164635586 719226193 /nfs/dbraw/zinc/22/61/93/719226193.db2.gz JFUYCKDUQIDRFK-CAOSSQGBSA-N 1 0 422.524 2.755 20 0 HFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C[NH3+])ncn1)CC2 ZINC001164664493 719348638 /nfs/dbraw/zinc/34/86/38/719348638.db2.gz VXERGPJDVNEGLR-UHFFFAOYSA-N 1 0 403.534 2.630 20 0 HFADRO CCOC[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)Cc2nn(CC3CC3)cc21 ZINC001164663026 719363653 /nfs/dbraw/zinc/36/36/53/719363653.db2.gz HCICENIPHZKYHL-LJQANCHMSA-N 1 0 410.566 2.580 20 0 HFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)C[C@H]21 ZINC001164665752 719484465 /nfs/dbraw/zinc/48/44/65/719484465.db2.gz BHADVBLSQYSDJZ-IAGOWNOFSA-N 1 0 408.893 2.773 20 0 HFADRO COc1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683094 719660832 /nfs/dbraw/zinc/66/08/32/719660832.db2.gz URCXKWQSZFQOAH-SFHVURJKSA-N 1 0 423.561 2.579 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)c(OC)cc31)C2 ZINC001164814790 720086506 /nfs/dbraw/zinc/08/65/06/720086506.db2.gz WPZYZQBNTLWIFO-SBUREZEXSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164710849 720130876 /nfs/dbraw/zinc/13/08/76/720130876.db2.gz DULMNFQJQBQOBW-HXUWFJFHSA-N 1 0 419.533 2.565 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(Cl)c3c1CCCC3)CCC2 ZINC001164813562 720219760 /nfs/dbraw/zinc/21/97/60/720219760.db2.gz PGWMQDLXWOOJJD-UHFFFAOYSA-N 1 0 416.957 2.816 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nccc(Cl)n2)CC1 ZINC001164821305 720297817 /nfs/dbraw/zinc/29/78/17/720297817.db2.gz JVCCAVWOYAIBEQ-LSDHHAIUSA-N 1 0 413.900 2.586 20 0 HFADRO Cc1nc2cc(F)ccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823125 720306753 /nfs/dbraw/zinc/30/67/53/720306753.db2.gz OPYMRCFIGXLANA-NHCUHLMSSA-N 1 0 411.525 2.989 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CSC3)CC1 ZINC001164821910 720308339 /nfs/dbraw/zinc/30/83/39/720308339.db2.gz LXKQDYDOXJKSAW-SJORKVTESA-N 1 0 421.998 2.788 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3ncccc3nc2Cl)CC1 ZINC001164831939 720317091 /nfs/dbraw/zinc/31/70/91/720317091.db2.gz SINHEXYWZKWAHE-DLBZAZTESA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@@H](F)Oc2cccc(Cl)n2)CC1 ZINC001164828443 720318505 /nfs/dbraw/zinc/31/85/05/720318505.db2.gz JMPSCVDYFORLES-JXXFODFXSA-N 1 0 410.921 2.774 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnnc(Cl)c2)CC1 ZINC001164833424 720319470 /nfs/dbraw/zinc/31/94/70/720319470.db2.gz XCFJHJMQWDQVFW-HOTGVXAUSA-N 1 0 413.900 2.586 20 0 HFADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccncc2)n1 ZINC001164822749 720336246 /nfs/dbraw/zinc/33/62/46/720336246.db2.gz FDUMRHOLRAQNAI-NHCUHLMSSA-N 1 0 420.561 2.759 20 0 HFADRO Cc1nc(CN2CCN(C)C3(CCN(c4[nH+]ccc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164824871 720359867 /nfs/dbraw/zinc/35/98/67/720359867.db2.gz OZFYLOKYZCHZQO-UHFFFAOYSA-N 1 0 410.547 2.641 20 0 HFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc-2n1 ZINC001164731050 720379286 /nfs/dbraw/zinc/37/92/86/720379286.db2.gz YKQPFASDHFQXOC-RTBURBONSA-N 1 0 407.474 2.606 20 0 HFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164725816 720417811 /nfs/dbraw/zinc/41/78/11/720417811.db2.gz BAKIIIFFDWWEPG-UHDDOPSISA-N 1 0 403.486 2.997 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc1C(=O)OCC ZINC001164725779 720485707 /nfs/dbraw/zinc/48/57/07/720485707.db2.gz KEEHIBQTOLUMHI-UXHICEINSA-N 1 0 424.501 2.683 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4nc[nH]c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835302 720509664 /nfs/dbraw/zinc/50/96/64/720509664.db2.gz JTSKAXXQZPGAJL-SOUVJXGZSA-N 1 0 400.918 2.581 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4nc[nH]c43)CC[C@@H]21 ZINC001164835296 720509671 /nfs/dbraw/zinc/50/96/71/720509671.db2.gz JTSKAXXQZPGAJL-ILXRZTDVSA-N 1 0 400.918 2.581 20 0 HFADRO COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834884 720511931 /nfs/dbraw/zinc/51/19/31/720511931.db2.gz HVOPCNVGXGCRRM-KVSKMBFKSA-N 1 0 401.486 2.582 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3COC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835240 720524711 /nfs/dbraw/zinc/52/47/11/720524711.db2.gz JFCNAZYOJYJQJL-RVKKMQEKSA-N 1 0 402.930 2.735 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc12 ZINC001164840067 720526629 /nfs/dbraw/zinc/52/66/29/720526629.db2.gz WGTVKXOQXUZDEA-FUHIMQAGSA-N 1 0 422.533 2.924 20 0 HFADRO COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(SC)n1 ZINC001164836661 720543315 /nfs/dbraw/zinc/54/33/15/720543315.db2.gz KNUPHALXGLLXGH-YESZJQIVSA-N 1 0 402.568 2.781 20 0 HFADRO CC(C)(C)OC(=O)Nc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncn1 ZINC001164734113 720554453 /nfs/dbraw/zinc/55/44/53/720554453.db2.gz UXQPLVAEPOVVKG-UHFFFAOYSA-N 1 0 413.526 2.679 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4ncnc(Cl)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840172 720573640 /nfs/dbraw/zinc/57/36/40/720573640.db2.gz SAOMQOBXHHGGLS-HLLBOEOZSA-N 1 0 412.929 2.648 20 0 HFADRO CC1CCN(C(=O)c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2)CC1 ZINC001164736502 720580460 /nfs/dbraw/zinc/58/04/60/720580460.db2.gz MDZDPPQHZZGMCE-UHFFFAOYSA-N 1 0 422.577 2.809 20 0 HFADRO CCOC(=O)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164838218 720645685 /nfs/dbraw/zinc/64/56/85/720645685.db2.gz GIFYUTCIILOZMT-QHAWAJNXSA-N 1 0 411.550 2.762 20 0 HFADRO Clc1cccc(-c2cccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)n1 ZINC001164739253 720699288 /nfs/dbraw/zinc/69/92/88/720699288.db2.gz MKVKIPGOSWDGLT-JKSUJKDBSA-N 1 0 408.893 2.929 20 0 HFADRO Cc1cc2c(c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)n1)C(=O)NC2=O ZINC001164842316 720709255 /nfs/dbraw/zinc/70/92/55/720709255.db2.gz YFISIWMOEXNVTM-GOSISDBHSA-N 1 0 420.513 2.534 20 0 HFADRO c1cn(C2CCCC2)c2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164737804 720710294 /nfs/dbraw/zinc/71/02/94/720710294.db2.gz GYFPNEIXKFYXQV-ZWKOTPCHSA-N 1 0 405.506 2.678 20 0 HFADRO Cc1nc2c3ccccc3oc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739494 720725256 /nfs/dbraw/zinc/72/52/56/720725256.db2.gz IYABVENGAJURBR-HZPDHXFCSA-N 1 0 402.458 2.816 20 0 HFADRO Fc1cc2ncnc(Cl)c2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164744916 720744928 /nfs/dbraw/zinc/74/49/28/720744928.db2.gz TUVYUCLMGUXSAD-UONOGXRCSA-N 1 0 400.845 2.554 20 0 HFADRO Clc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164738578 720778876 /nfs/dbraw/zinc/77/88/76/720778876.db2.gz GBJOXYHMUSUGKY-SJORKVTESA-N 1 0 408.893 2.929 20 0 HFADRO Clc1nc2cc[nH]c2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164744142 720808561 /nfs/dbraw/zinc/80/85/61/720808561.db2.gz HLCDQDTUKSZGQO-ZMSDIMECSA-N 1 0 412.929 2.582 20 0 HFADRO Clc1nc2ncccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164738003 720816135 /nfs/dbraw/zinc/81/61/35/720816135.db2.gz DHYDRHWPOWUTLL-LZLYRXPVSA-N 1 0 424.940 2.649 20 0 HFADRO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738414 720816968 /nfs/dbraw/zinc/81/69/68/720816968.db2.gz FQDRBGSIONQAFM-HYVNUMGLSA-N 1 0 423.899 2.646 20 0 HFADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738387 720817414 /nfs/dbraw/zinc/81/74/14/720817414.db2.gz FENXMROIRXSZSU-BZUAXINKSA-N 1 0 423.899 2.646 20 0 HFADRO COc1cc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738798 720822157 /nfs/dbraw/zinc/82/21/57/720822157.db2.gz GTXVKHIPTPGRDQ-BRWVUGGUSA-N 1 0 402.930 2.715 20 0 HFADRO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751822 720834202 /nfs/dbraw/zinc/83/42/02/720834202.db2.gz YZYUCHNJFXZTPR-HHXXYDBFSA-N 1 0 424.940 2.649 20 0 HFADRO c1ncn(C[C@H]2C[C@@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739949 720834305 /nfs/dbraw/zinc/83/43/05/720834305.db2.gz BCVIBRPHOGUNND-NJDAHSKKSA-N 1 0 416.533 2.510 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)CC[C@H]2C1 ZINC001164855250 720834317 /nfs/dbraw/zinc/83/43/17/720834317.db2.gz SYVUSFPMECLQQH-AAEUAGOBSA-N 1 0 411.280 2.502 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@@H]2C1 ZINC001164854235 720839031 /nfs/dbraw/zinc/83/90/31/720839031.db2.gz QFWWWDQWCYFNSN-XLIONFOSSA-N 1 0 402.926 2.971 20 0 HFADRO c1ncn(C[C@H]2C[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741920 720849640 /nfs/dbraw/zinc/84/96/40/720849640.db2.gz FWGFYEDTPGGAAL-TUNNFDKTSA-N 1 0 416.533 2.510 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nnc3-c3ccccc3)CC[C@H]2C1 ZINC001164860260 720856005 /nfs/dbraw/zinc/85/60/05/720856005.db2.gz WDYOOFSZATTWTB-HKUYNNGSSA-N 1 0 402.926 2.971 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747169 720857081 /nfs/dbraw/zinc/85/70/81/720857081.db2.gz IAUHRGKEOTWVGM-IRFCIJBXSA-N 1 0 424.549 2.618 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@H]2C1 ZINC001164858209 720860237 /nfs/dbraw/zinc/86/02/37/720860237.db2.gz RQBOFLPMKHNEAQ-RBBKRZOGSA-N 1 0 421.545 2.653 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@@H]2C1 ZINC001164855471 720861254 /nfs/dbraw/zinc/86/12/54/720861254.db2.gz MWMWDWKFOKBZRV-IEBWSBKVSA-N 1 0 408.974 2.504 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4nc(C(C)(C)C)no4)ccn3)CC[C@H]2C1 ZINC001164857419 720870589 /nfs/dbraw/zinc/87/05/89/720870589.db2.gz QTAXYUMQCZJRKV-ROUUACIJSA-N 1 0 415.538 2.603 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@H]2C1 ZINC001164865218 720889586 /nfs/dbraw/zinc/88/95/86/720889586.db2.gz YWBHMBGFISHKGC-UONOGXRCSA-N 1 0 401.338 2.834 20 0 HFADRO COc1nc(C)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755384 720889715 /nfs/dbraw/zinc/88/97/15/720889715.db2.gz LSMHMVRMBXXALB-URXFXBBRSA-N 1 0 423.561 2.944 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(Cl)nc(Cl)nc1C(N)=O)[C@H]2C ZINC001164857204 720971303 /nfs/dbraw/zinc/97/13/03/720971303.db2.gz DBFOBLCHFDHGLK-JTQLQIEISA-N 1 0 412.325 2.500 20 0 HFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867635 721094635 /nfs/dbraw/zinc/09/46/35/721094635.db2.gz YZBUSVUDPSWTJM-GJZGRUSLSA-N 1 0 409.868 2.737 20 0 HFADRO CCOC(=O)c1c(C)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865481 721102174 /nfs/dbraw/zinc/10/21/74/721102174.db2.gz LOXNGRDYKWSTSG-WOJBJXKFSA-N 1 0 410.518 2.750 20 0 HFADRO CCOC(=O)c1c(C)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C ZINC001164865479 721103513 /nfs/dbraw/zinc/10/35/13/721103513.db2.gz LOXNGRDYKWSTSG-UXHICEINSA-N 1 0 410.518 2.750 20 0 HFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164769947 721107772 /nfs/dbraw/zinc/10/77/72/721107772.db2.gz QMJPJSQVVIODQU-SJORKVTESA-N 1 0 417.941 2.912 20 0 HFADRO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH]c-2n1 ZINC001164865608 721113430 /nfs/dbraw/zinc/11/34/30/721113430.db2.gz NKMATTKCJZXNIP-RBUKOAKNSA-N 1 0 421.501 2.614 20 0 HFADRO CCCN(CCC)c1cncc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865153 721115880 /nfs/dbraw/zinc/11/58/80/721115880.db2.gz IUAANEQOIUDHFB-SFTDATJTSA-N 1 0 410.566 2.978 20 0 HFADRO CCCN(CCC)c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164862804 721116774 /nfs/dbraw/zinc/11/67/74/721116774.db2.gz AOODYIRWYNSRKB-NHCUHLMSSA-N 1 0 410.566 2.978 20 0 HFADRO COC(=O)c1ccc2nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c1 ZINC001164768170 721116968 /nfs/dbraw/zinc/11/69/68/721116968.db2.gz NNCGWTXZYCUQNC-WOJBJXKFSA-N 1 0 405.502 2.713 20 0 HFADRO CCOC(=O)c1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164870220 721124903 /nfs/dbraw/zinc/12/49/03/721124903.db2.gz BWSFDLVCEOQZGF-IRXDYDNUSA-N 1 0 416.909 2.786 20 0 HFADRO CCOC(=O)c1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164870221 721125539 /nfs/dbraw/zinc/12/55/39/721125539.db2.gz BWSFDLVCEOQZGF-SJORKVTESA-N 1 0 416.909 2.786 20 0 HFADRO COc1cccc2c1nc(Cl)nc2N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762084 721127489 /nfs/dbraw/zinc/12/74/89/721127489.db2.gz BVIQFHWHFLTZHA-HZPDHXFCSA-N 1 0 412.925 2.984 20 0 HFADRO COc1cc2nc(C)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164763396 721136780 /nfs/dbraw/zinc/13/67/80/721136780.db2.gz FMNWOEPCEPDTPA-MSOLQXFVSA-N 1 0 422.533 2.647 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164765688 721164387 /nfs/dbraw/zinc/16/43/87/721164387.db2.gz IDDOUBHJSXNLCC-RBUKOAKNSA-N 1 0 405.502 2.713 20 0 HFADRO CSc1nc2ncnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2s1 ZINC001164765019 721168903 /nfs/dbraw/zinc/16/89/03/721168903.db2.gz HLGFGRDFHACLJZ-ZIAGYGMSSA-N 1 0 401.565 2.500 20 0 HFADRO CCOC(=O)c1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1Cl ZINC001164761331 721178400 /nfs/dbraw/zinc/17/84/00/721178400.db2.gz APSJKAYDFQTELY-CVEARBPZSA-N 1 0 403.914 2.604 20 0 HFADRO c1cncc(CO[C@H]2C[C@H]3CN(c4cncc(OCC5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164880380 721184626 /nfs/dbraw/zinc/18/46/26/721184626.db2.gz WBQCQSSVHCMLNN-SFTDATJTSA-N 1 0 409.534 2.920 20 0 HFADRO CSc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164869307 721189227 /nfs/dbraw/zinc/18/92/27/721189227.db2.gz QFSBUMNRRDXWGD-CVEARBPZSA-N 1 0 403.577 2.795 20 0 HFADRO COC(=O)C[C@H](c1ccnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1)C1CC1 ZINC001164762730 721189562 /nfs/dbraw/zinc/18/95/62/721189562.db2.gz DMZUGBLZUCURIP-FSSWDIPSSA-N 1 0 423.561 2.830 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5nc4N4CCCC4)C[C@@H]3C2)cn1 ZINC001164774385 721190984 /nfs/dbraw/zinc/19/09/84/721190984.db2.gz YTENAAAQOKBASX-UXHICEINSA-N 1 0 417.561 2.922 20 0 HFADRO COc1ccccc1-c1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ncn1 ZINC001164762630 721209039 /nfs/dbraw/zinc/20/90/39/721209039.db2.gz DBTCDFITVPVJRV-MOPGFXCFSA-N 1 0 404.518 2.844 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164770919 721209770 /nfs/dbraw/zinc/20/97/70/721209770.db2.gz PFMXOMYEDDAFDJ-RBUKOAKNSA-N 1 0 405.502 2.713 20 0 HFADRO COc1ccc(-c2cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)ncn2)cc1 ZINC001164772870 721209951 /nfs/dbraw/zinc/20/99/51/721209951.db2.gz VTRAALVLGKKNDT-PMACEKPBSA-N 1 0 404.518 2.844 20 0 HFADRO COc1cc2cnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc2cc1OC ZINC001164768268 721212768 /nfs/dbraw/zinc/21/27/68/721212768.db2.gz KTLMBUKOWLTPOF-FXAWDEMLSA-N 1 0 407.518 2.944 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(-c5nc(C6CC6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164766218 721230893 /nfs/dbraw/zinc/23/08/93/721230893.db2.gz SZDKMCBRVXITPL-OALUTQOASA-N 1 0 405.506 2.701 20 0 HFADRO c1ccc(N(c2ccnc([C@H]3COCCN3)n2)c2ncccc2C[NH+]2CCCC2)nc1 ZINC001164876263 721330404 /nfs/dbraw/zinc/33/04/04/721330404.db2.gz NEJIAGAEGRMVHB-LJQANCHMSA-N 1 0 417.517 2.993 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cccnc43)C2)C1 ZINC001164777734 721338069 /nfs/dbraw/zinc/33/80/69/721338069.db2.gz PWSZPPLUFZOIAQ-JOCHJYFZSA-N 1 0 408.506 2.749 20 0 HFADRO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2C1 ZINC001164885920 721351351 /nfs/dbraw/zinc/35/13/51/721351351.db2.gz QUOULNZBBBQSTM-VXKWHMMOSA-N 1 0 406.530 2.655 20 0 HFADRO Cc1nc2ccc(F)cc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892898 721397727 /nfs/dbraw/zinc/39/77/27/721397727.db2.gz UIHRAMXPORDVIZ-WMZHIEFXSA-N 1 0 413.541 2.843 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884039 721415736 /nfs/dbraw/zinc/41/57/36/721415736.db2.gz CZYUVDJXDNATMV-DNVCBOLYSA-N 1 0 412.003 2.617 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164897739 721430753 /nfs/dbraw/zinc/43/07/53/721430753.db2.gz UPNCNGZYRQYHPK-KKSFZXQISA-N 1 0 421.973 2.547 20 0 HFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccccn2)n1 ZINC001164894283 721432516 /nfs/dbraw/zinc/43/25/16/721432516.db2.gz LJVJPGLAIKTOGR-HYBUGGRVSA-N 1 0 422.577 2.612 20 0 HFADRO CCCSc1cncc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893691 721439572 /nfs/dbraw/zinc/43/95/72/721439572.db2.gz JYUSHUCPSNRPDL-RXVVDRJESA-N 1 0 405.612 2.744 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccsc5)nn4)C3)O2)CC1 ZINC001164898512 721445209 /nfs/dbraw/zinc/44/52/09/721445209.db2.gz WCYNYURJCZHSHQ-SIKLNZKXSA-N 1 0 413.591 2.971 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(C5CC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164886020 721447018 /nfs/dbraw/zinc/44/70/18/721447018.db2.gz GCSQNLUIGPFBLQ-MBSDFSHPSA-N 1 0 410.566 2.601 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5c6c([nH]c54)CCC6)C3)O2)CC1 ZINC001164887835 721447994 /nfs/dbraw/zinc/44/79/94/721447994.db2.gz KJPTXFSDIDOXTN-MHECFPHRSA-N 1 0 409.578 2.817 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc(OC)c1C)CC2 ZINC001164791246 721471182 /nfs/dbraw/zinc/47/11/82/721471182.db2.gz VYTYKXFCXZZDCX-HXUWFJFHSA-N 1 0 418.582 2.836 20 0 HFADRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C(N)=O ZINC001164897691 721513579 /nfs/dbraw/zinc/51/35/79/721513579.db2.gz GIAZXEMXAXJRKS-GOEBONIOSA-N 1 0 404.873 2.623 20 0 HFADRO COc1cccc2c1ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164806142 721538372 /nfs/dbraw/zinc/53/83/72/721538372.db2.gz OFTAMZNJFOGMCT-CNNODRBYSA-N 1 0 405.502 2.902 20 0 HFADRO COc1ccc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164804592 721538667 /nfs/dbraw/zinc/53/86/67/721538667.db2.gz KQADMQPHTUAHJX-BHIFYINESA-N 1 0 405.502 2.902 20 0 HFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncc5ncnc(Cl)c5n4)CC[N@@H+]3C2)c1 ZINC001164910231 721544809 /nfs/dbraw/zinc/54/48/09/721544809.db2.gz TVTXTXYRQDWBPX-HIFRSBDPSA-N 1 0 400.845 2.554 20 0 HFADRO CON(C)C(=O)c1cc(C)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907621 721547946 /nfs/dbraw/zinc/54/79/46/721547946.db2.gz NQLFZHQWEFDRPA-MJGOQNOKSA-N 1 0 414.481 2.504 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)NC(C)(C)C)cn2)[C@H]2CCCO[C@H]12 ZINC001164807912 721554880 /nfs/dbraw/zinc/55/48/80/721554880.db2.gz UAXKBUWLRFDRMY-VWPQPMDRSA-N 1 0 423.561 2.873 20 0 HFADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1C ZINC001164801804 721559020 /nfs/dbraw/zinc/55/90/20/721559020.db2.gz HHNVYNMBASBMBY-JAXLGGSGSA-N 1 0 410.518 2.830 20 0 HFADRO [O-][n+]1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1Cl ZINC001164911280 721567142 /nfs/dbraw/zinc/56/71/42/721567142.db2.gz YNIRAFBPPHDNNA-RDJZCZTQSA-N 1 0 413.827 2.999 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(N3CCCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164802934 721575613 /nfs/dbraw/zinc/57/56/13/721575613.db2.gz IVCFXYATLQDHJG-SJBKTWHCSA-N 1 0 408.550 2.730 20 0 HFADRO NC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164904762 721586544 /nfs/dbraw/zinc/58/65/44/721586544.db2.gz GEZUKXZWXAWQCX-IBGZPJMESA-N 1 0 421.879 2.967 20 0 HFADRO COc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1OC ZINC001164904289 721702583 /nfs/dbraw/zinc/70/25/83/721702583.db2.gz BIKMFUMYQHWJRN-LJQANCHMSA-N 1 0 405.449 2.627 20 0 HFADRO FC1(F)CCN(c2ccc(-n3ccnc3)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164907353 721713949 /nfs/dbraw/zinc/71/39/49/721713949.db2.gz RCQNMTUPDKEZIB-HXUWFJFHSA-N 1 0 411.460 2.795 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3cccc(F)c32)CC1 ZINC001165011617 721734977 /nfs/dbraw/zinc/73/49/77/721734977.db2.gz SSVOWEPVOJFANL-UHFFFAOYSA-N 1 0 405.905 2.945 20 0 HFADRO COc1cccc2nc(Cl)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c21 ZINC001165010191 721739165 /nfs/dbraw/zinc/73/91/65/721739165.db2.gz FUFRTWNULHSDPC-UHFFFAOYSA-N 1 0 417.941 2.815 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3c(F)cccc3F)nn2)CC1 ZINC001165012791 721747139 /nfs/dbraw/zinc/74/71/39/721747139.db2.gz NMESBPYSNJSVFR-UHFFFAOYSA-N 1 0 415.488 2.945 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccncc3)nc3c2CCC3)CC1 ZINC001165012556 721747606 /nfs/dbraw/zinc/74/76/06/721747606.db2.gz KOMNCVBOQZIDPQ-UHFFFAOYSA-N 1 0 420.561 2.550 20 0 HFADRO Cc1nc(-c2ccncc2)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1C ZINC001165012340 721747883 /nfs/dbraw/zinc/74/78/83/721747883.db2.gz GJNAEZTUVUOTGO-UHFFFAOYSA-N 1 0 408.550 2.678 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(Cl)c3ccc(F)cc32)CC1 ZINC001165013068 721747887 /nfs/dbraw/zinc/74/78/87/721747887.db2.gz SOQCGUYXZGEYTN-UHFFFAOYSA-N 1 0 405.905 2.945 20 0 HFADRO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001164910748 721758870 /nfs/dbraw/zinc/75/88/70/721758870.db2.gz RCYGYJBYMKOUPJ-UHFFFAOYSA-N 1 0 418.545 2.674 20 0 HFADRO CCOC(=O)c1nccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021566 721840756 /nfs/dbraw/zinc/84/07/56/721840756.db2.gz OPPFHJFAIVNUJS-UHFFFAOYSA-N 1 0 414.506 2.771 20 0 HFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164932242 721861415 /nfs/dbraw/zinc/86/14/15/721861415.db2.gz XRZGZTINOZTFEA-DLBZAZTESA-N 1 0 417.941 2.675 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927100 721870000 /nfs/dbraw/zinc/87/00/00/721870000.db2.gz UOKCTSMXNPYEPB-HOTGVXAUSA-N 1 0 406.893 2.671 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164936682 721890849 /nfs/dbraw/zinc/89/08/49/721890849.db2.gz ZLUIYACQWCGQFT-NWDGAFQWSA-N 1 0 416.929 2.585 20 0 HFADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165039842 721905193 /nfs/dbraw/zinc/90/51/93/721905193.db2.gz WGGSDPPVHBATQY-KRWDZBQOSA-N 1 0 412.925 2.829 20 0 HFADRO COCc1nc(OC)cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164941794 721933029 /nfs/dbraw/zinc/93/30/29/721933029.db2.gz JJXMDYHBWWALAK-UHFFFAOYSA-N 1 0 412.534 2.811 20 0 HFADRO C[NH+](C)CC1CCN([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)CC1 ZINC001165044603 721947892 /nfs/dbraw/zinc/94/78/92/721947892.db2.gz GIMNENMVMGNVRK-FQEVSTJZSA-N 1 0 424.952 2.771 20 0 HFADRO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]12 ZINC001164947330 721966841 /nfs/dbraw/zinc/96/68/41/721966841.db2.gz QKODODGLZUVAFT-RDGATRHJSA-N 1 0 419.573 2.602 20 0 HFADRO C[N@H+](Cc1ccc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1)C1CC1 ZINC001164946381 721979476 /nfs/dbraw/zinc/97/94/76/721979476.db2.gz DNKUTQNESLHORH-UHFFFAOYSA-N 1 0 419.573 2.647 20 0 HFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056575 722013257 /nfs/dbraw/zinc/01/32/57/722013257.db2.gz WZAFJYIWTQUARI-UHFFFAOYSA-N 1 0 411.893 2.830 20 0 HFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055885 722015634 /nfs/dbraw/zinc/01/56/34/722015634.db2.gz MZWLZILZZNXPBS-UHFFFAOYSA-N 1 0 418.545 2.775 20 0 HFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4nccc(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164961194 722051777 /nfs/dbraw/zinc/05/17/77/722051777.db2.gz VKWNVJZUBKSTKO-UHFFFAOYSA-N 1 0 408.550 2.591 20 0 HFADRO CS(=O)(=O)N1C[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2c2ccccc21 ZINC001164972355 722091009 /nfs/dbraw/zinc/09/10/09/722091009.db2.gz GHTMCDMOJWQEKL-ICSRJNTNSA-N 1 0 412.559 2.677 20 0 HFADRO COC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164983986 722102456 /nfs/dbraw/zinc/10/24/56/722102456.db2.gz RLEWALPZTFCVOP-APWZRJJASA-N 1 0 416.909 2.644 20 0 HFADRO COC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983993 722102902 /nfs/dbraw/zinc/10/29/02/722102902.db2.gz RLEWALPZTFCVOP-QFBILLFUSA-N 1 0 416.909 2.644 20 0 HFADRO Clc1nc2ncccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984701 722104971 /nfs/dbraw/zinc/10/49/71/722104971.db2.gz TZNCDAWGXOVPMB-WMZOPIPTSA-N 1 0 410.909 2.801 20 0 HFADRO FC(F)(c1cnc(Cl)nc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985882 722105826 /nfs/dbraw/zinc/10/58/26/722105826.db2.gz XJVYRSQUZYOIPP-WBVHZDCISA-N 1 0 409.868 2.797 20 0 HFADRO COC(=O)c1c(C)cc(C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974907 722115989 /nfs/dbraw/zinc/11/59/89/722115989.db2.gz IVIDXQKPGHJLNK-WOJBJXKFSA-N 1 0 410.518 2.607 20 0 HFADRO COC(=O)c1ccc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974890 722122985 /nfs/dbraw/zinc/12/29/85/722122985.db2.gz ITWBOZIIDIIWSB-QFBILLFUSA-N 1 0 416.909 2.644 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@@H]3C2)c1 ZINC001164978151 722125754 /nfs/dbraw/zinc/12/57/54/722125754.db2.gz NPNZLRSQECQLDM-NHCUHLMSSA-N 1 0 402.502 2.661 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982688 722136252 /nfs/dbraw/zinc/13/62/52/722136252.db2.gz SCYYXKXEXODUOE-HOTGVXAUSA-N 1 0 405.955 2.974 20 0 HFADRO CC(C)n1cnc2cnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164984580 722142492 /nfs/dbraw/zinc/14/24/92/722142492.db2.gz XEXKNKJOAVYVLG-ICSRJNTNSA-N 1 0 407.522 2.530 20 0 HFADRO COc1cccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981706 722143332 /nfs/dbraw/zinc/14/33/32/722143332.db2.gz PZXITJWJEXQBAR-RXVVDRJESA-N 1 0 405.502 2.761 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@@H]3C2)c1 ZINC001164978894 722144709 /nfs/dbraw/zinc/14/47/09/722144709.db2.gz KLWYSJOTILGKRO-IFMALSPDSA-N 1 0 402.502 2.661 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3C2)c1 ZINC001164978896 722144929 /nfs/dbraw/zinc/14/49/29/722144929.db2.gz KLWYSJOTILGKRO-RBBKRZOGSA-N 1 0 402.502 2.661 20 0 HFADRO C[N@H+](Cc1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1)C1CC1 ZINC001165001799 722250039 /nfs/dbraw/zinc/25/00/39/722250039.db2.gz VHKIZZPXZJBKRF-HSZRJFAPSA-N 1 0 410.518 2.780 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc3c(Cl)cccc3n1)CCC2 ZINC001165000447 722252618 /nfs/dbraw/zinc/25/26/18/722252618.db2.gz PSYKLIHKJAVKOJ-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO CCc1cc2c(ncnc2N2CCCn3cnc(COCC[NH+](C)C)c3C2)s1 ZINC001165000953 722253388 /nfs/dbraw/zinc/25/33/88/722253388.db2.gz XDXKLPDGJSYQBL-UHFFFAOYSA-N 1 0 400.552 2.939 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(C(=O)OC(C)(C)C)cn1)CCC2 ZINC001165001845 722253406 /nfs/dbraw/zinc/25/34/06/722253406.db2.gz HAJYBIZJPBKJRR-UHFFFAOYSA-N 1 0 415.538 2.722 20 0 HFADRO COc1ccccc1-c1ccnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003465 722256857 /nfs/dbraw/zinc/25/68/57/722256857.db2.gz DQCVSFHZBVGOTL-UHFFFAOYSA-N 1 0 422.533 2.837 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000790498706 1078043893 /nfs/dbraw/zinc/04/38/93/1078043893.db2.gz WMZTUJKHRDSYGQ-JOCHJYFZSA-N 1 0 422.529 2.963 20 0 HFADRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790516572 1078049334 /nfs/dbraw/zinc/04/93/34/1078049334.db2.gz GAZIXJCIZSALRQ-UHFFFAOYSA-N 1 0 410.971 2.879 20 0 HFADRO O=C(c1cnc(Br)c(Cl)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000790534289 1078052595 /nfs/dbraw/zinc/05/25/95/1078052595.db2.gz PGRTYOFTEDIQKA-UHFFFAOYSA-N 1 0 402.720 2.682 20 0 HFADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC(c4cccnc4)=NO3)CC2)cc1 ZINC000790532557 1078052602 /nfs/dbraw/zinc/05/26/02/1078052602.db2.gz BXIZZQQKAILZKH-JOCHJYFZSA-N 1 0 408.502 2.612 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793042511 1078054364 /nfs/dbraw/zinc/05/43/64/1078054364.db2.gz NKRKOJKGDSDXHZ-UHFFFAOYSA-N 1 0 423.286 2.512 20 0 HFADRO COc1ccc2cc(CN(C)C(=O)[C@H](C)N[C@H](C)c3nnnn3C3CC3)ccc2c1 ZINC000790555646 1078055193 /nfs/dbraw/zinc/05/51/93/1078055193.db2.gz URBGTPRWHWWTMN-CABCVRRESA-N 1 0 408.506 2.868 20 0 HFADRO C[C@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000793050286 1078056605 /nfs/dbraw/zinc/05/66/05/1078056605.db2.gz MDMPLHZAIMWLQV-BLLLJJGKSA-N 1 0 405.296 2.590 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[N@@H+]1CCCC[C@H]1C ZINC000793049990 1078056823 /nfs/dbraw/zinc/05/68/23/1078056823.db2.gz CIDXBOUMSDVWAB-DGQTTZFYSA-N 1 0 424.545 2.957 20 0 HFADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1nc(Br)ccc1Br ZINC000790607827 1078074004 /nfs/dbraw/zinc/07/40/04/1078074004.db2.gz FYVRJTWPXJPIMT-JTQLQIEISA-N 1 0 403.118 2.821 20 0 HFADRO COc1cc(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc2c1OCO2 ZINC000790606859 1078066412 /nfs/dbraw/zinc/06/64/12/1078066412.db2.gz GXCLSKSQVSVTPC-QHCPKHFHSA-N 1 0 423.469 2.939 20 0 HFADRO COc1cc(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc2c1OCO2 ZINC000790606857 1078066441 /nfs/dbraw/zinc/06/64/41/1078066441.db2.gz GXCLSKSQVSVTPC-HSZRJFAPSA-N 1 0 423.469 2.939 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000790574988 1078066820 /nfs/dbraw/zinc/06/68/20/1078066820.db2.gz ULEIQSQHTULPMV-UHFFFAOYSA-N 1 0 410.971 2.736 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000793096241 1078074483 /nfs/dbraw/zinc/07/44/83/1078074483.db2.gz HMVOIDBMTNOCRY-UHFFFAOYSA-N 1 0 416.909 2.771 20 0 HFADRO CN(CCC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C(=O)OCc1ccccc1 ZINC000793110560 1078081830 /nfs/dbraw/zinc/08/18/30/1078081830.db2.gz MUWGJRKOZROFTR-UHFFFAOYSA-N 1 0 410.518 2.821 20 0 HFADRO COC(=O)c1cn(CC[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)nn1 ZINC000790613568 1078076459 /nfs/dbraw/zinc/07/64/59/1078076459.db2.gz KZDIPIZNXSOSPC-UHFFFAOYSA-N 1 0 402.886 2.619 20 0 HFADRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000793101425 1078077319 /nfs/dbraw/zinc/07/73/19/1078077319.db2.gz IZDIBKYVFOSHCL-UHFFFAOYSA-N 1 0 407.522 2.617 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NCc3cccnc3-n3ccnc3)cc2)CC1 ZINC000790667506 1078084593 /nfs/dbraw/zinc/08/45/93/1078084593.db2.gz NMRSZLCSBXQWNL-UHFFFAOYSA-N 1 0 420.517 2.740 20 0 HFADRO CS(=O)(=O)CCCOc1cccc2c1CC[C@H]2OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793163741 1078085442 /nfs/dbraw/zinc/08/54/42/1078085442.db2.gz QMDITQDPBGCKPH-HXUWFJFHSA-N 1 0 414.483 2.992 20 0 HFADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000790697715 1078099330 /nfs/dbraw/zinc/09/93/30/1078099330.db2.gz NJTCSAYRIHPQHN-MAUKXSAKSA-N 1 0 412.365 2.559 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000793215957 1078099434 /nfs/dbraw/zinc/09/94/34/1078099434.db2.gz YYLQTILQWYBQKK-MRXNPFEDSA-N 1 0 421.542 2.567 20 0 HFADRO COCC1(C(=O)NC2CC[NH+](CC(C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793246760 1078109145 /nfs/dbraw/zinc/10/91/45/1078109145.db2.gz TXVWKPNOSYWFPG-UHFFFAOYSA-N 1 0 411.587 2.887 20 0 HFADRO CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)[C@H](O)c1ccccc1 ZINC000793238055 1078108087 /nfs/dbraw/zinc/10/80/87/1078108087.db2.gz HVLPKQOJKCDQQV-WOJBJXKFSA-N 1 0 420.579 2.672 20 0 HFADRO CC[C@H](C)CC[C@H](O)CC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000793242743 1078108895 /nfs/dbraw/zinc/10/88/95/1078108895.db2.gz ZHVDLWPNGOJUKX-RXVVDRJESA-N 1 0 409.615 2.745 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000793250158 1078110859 /nfs/dbraw/zinc/11/08/59/1078110859.db2.gz VVQVIQSJIBQCCX-UHFFFAOYSA-N 1 0 421.607 2.640 20 0 HFADRO COCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793286406 1078118274 /nfs/dbraw/zinc/11/82/74/1078118274.db2.gz CPSBZAXSSRDESC-UHFFFAOYSA-N 1 0 409.509 2.977 20 0 HFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793273367 1078115903 /nfs/dbraw/zinc/11/59/03/1078115903.db2.gz GWYUFEARPOLHLF-PMACEKPBSA-N 1 0 424.545 2.911 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cs1 ZINC000793289747 1078119172 /nfs/dbraw/zinc/11/91/72/1078119172.db2.gz CYIHRPHWUXMHAB-OAHLLOKOSA-N 1 0 408.568 2.911 20 0 HFADRO COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793291020 1078119205 /nfs/dbraw/zinc/11/92/05/1078119205.db2.gz YMBWRZZQVYYSQE-UHFFFAOYSA-N 1 0 421.501 2.642 20 0 HFADRO NC(=O)COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc1 ZINC000793294072 1078120352 /nfs/dbraw/zinc/12/03/52/1078120352.db2.gz DPILXYZBFRBZPX-HXUWFJFHSA-N 1 0 411.502 2.689 20 0 HFADRO C[NH+](C)CCNC(=S)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000793309118 1078124425 /nfs/dbraw/zinc/12/44/25/1078124425.db2.gz WBASONQSWWDSSM-XLIONFOSSA-N 1 0 403.523 2.603 20 0 HFADRO C[NH+](C)CCNC(=S)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000793309114 1078124515 /nfs/dbraw/zinc/12/45/15/1078124515.db2.gz WBASONQSWWDSSM-FXAWDEMLSA-N 1 0 403.523 2.603 20 0 HFADRO COCC1(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790814304 1078127697 /nfs/dbraw/zinc/12/76/97/1078127697.db2.gz PYARHHUHIHYHSX-KRWDZBQOSA-N 1 0 424.586 2.600 20 0 HFADRO C[C@]1([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793345137 1078132634 /nfs/dbraw/zinc/13/26/34/1078132634.db2.gz YBVNEDLUCJLGBG-NRFANRHFSA-N 1 0 417.531 2.949 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793315384 1078134270 /nfs/dbraw/zinc/13/42/70/1078134270.db2.gz QWQJBNOZMREOBY-GUDVDZBRSA-N 1 0 422.614 2.649 20 0 HFADRO CCOC(=O)c1cn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1C(F)(F)F ZINC000772831232 1078137711 /nfs/dbraw/zinc/13/77/11/1078137711.db2.gz ZPWDVMVTRTZBLZ-CZUORRHYSA-N 1 0 400.445 2.985 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)OC(C)(C)C ZINC000790847360 1078146795 /nfs/dbraw/zinc/14/67/95/1078146795.db2.gz NCXNDLUAHPMFIM-SZMVWBNQSA-N 1 0 412.550 2.992 20 0 HFADRO CSC1(CNC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC[NH+](C)CC1 ZINC000793359625 1078147224 /nfs/dbraw/zinc/14/72/24/1078147224.db2.gz UUVKZQUIULFCJV-CABCVRRESA-N 1 0 415.600 2.691 20 0 HFADRO COc1ccc([C@H]2[C@@H](COC(=O)C3CCN(c4cnccn4)CC3)CC[N@@H+]2C)cc1 ZINC000747120830 1078174171 /nfs/dbraw/zinc/17/41/71/1078174171.db2.gz OFQCYOKCJBWTMG-KNQAVFIVSA-N 1 0 410.518 2.938 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000793475866 1078186584 /nfs/dbraw/zinc/18/65/84/1078186584.db2.gz SHSKJEOSYQVNOO-UHFFFAOYSA-N 1 0 418.579 2.795 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)cc1 ZINC000772834054 1078188620 /nfs/dbraw/zinc/18/86/20/1078188620.db2.gz XZWZJNWWZJELMS-UHFFFAOYSA-N 1 0 410.518 2.716 20 0 HFADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793457437 1078192703 /nfs/dbraw/zinc/19/27/03/1078192703.db2.gz BCZKTVUWYHDONJ-JWWGGVBKSA-N 1 0 424.545 2.957 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000793515357 1078197386 /nfs/dbraw/zinc/19/73/86/1078197386.db2.gz DOPPYYYXTYEVEN-SFTDATJTSA-N 1 0 411.502 2.998 20 0 HFADRO C[NH+](C)CCC1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793494987 1078201747 /nfs/dbraw/zinc/20/17/47/1078201747.db2.gz YMBQZKXGUAABDN-NHCUHLMSSA-N 1 0 424.545 2.769 20 0 HFADRO CN(CCC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C(=O)OCc1ccccc1 ZINC000793551708 1078208527 /nfs/dbraw/zinc/20/85/27/1078208527.db2.gz DECPXCVDKODVKG-UHFFFAOYSA-N 1 0 409.530 2.861 20 0 HFADRO COCC1(C[NH2+]C2CCN(c3cnccn3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793576401 1078213245 /nfs/dbraw/zinc/21/32/45/1078213245.db2.gz PTSYVJWCOXMSFI-UHFFFAOYSA-N 1 0 419.570 2.699 20 0 HFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793577763 1078213404 /nfs/dbraw/zinc/21/34/04/1078213404.db2.gz SYNKLRPZFWNBSW-NJYVYQBISA-N 1 0 424.545 2.911 20 0 HFADRO COC(=O)CC[N@H+](Cc1cccc(I)c1)C1CCOCC1 ZINC000793587657 1078215975 /nfs/dbraw/zinc/21/59/75/1078215975.db2.gz JGJCULLVSAKHAT-UHFFFAOYSA-N 1 0 403.260 2.835 20 0 HFADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793629672 1078233259 /nfs/dbraw/zinc/23/32/59/1078233259.db2.gz JOXXPOARPDUSQU-PGRDOPGGSA-N 1 0 411.546 2.629 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793642192 1078238834 /nfs/dbraw/zinc/23/88/34/1078238834.db2.gz JAABTLKFJGTSJO-KCESLBEFSA-N 1 0 423.557 2.629 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)[NH+]2CCCC2)cc1 ZINC000793643443 1078239702 /nfs/dbraw/zinc/23/97/02/1078239702.db2.gz MPSIQXROPDGICV-GCJKJVERSA-N 1 0 409.530 2.618 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000793646534 1078240691 /nfs/dbraw/zinc/24/06/91/1078240691.db2.gz UDCHQWCXFJQEMB-QGZVFWFLSA-N 1 0 401.551 2.517 20 0 HFADRO COCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793676103 1078250597 /nfs/dbraw/zinc/25/05/97/1078250597.db2.gz AVZPXXSDLDFPLL-ROUUACIJSA-N 1 0 409.571 2.593 20 0 HFADRO CN(CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(=O)OCc1ccccc1 ZINC000793686574 1078256581 /nfs/dbraw/zinc/25/65/81/1078256581.db2.gz LWQIZCJJFZZKCV-LEWJYISDSA-N 1 0 417.550 2.529 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000793654852 1078258058 /nfs/dbraw/zinc/25/80/58/1078258058.db2.gz GOSPTLRHDMGCJT-BOSCWZPRSA-N 1 0 421.541 2.668 20 0 HFADRO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c2ccccc2O1 ZINC000793657859 1078259982 /nfs/dbraw/zinc/25/99/82/1078259982.db2.gz NFODGJHRHHWAGC-QAPCUYQASA-N 1 0 403.523 2.988 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(-n2cnc3ccccc32)cc1)[NH+]1CCCCC1 ZINC000793713416 1078261194 /nfs/dbraw/zinc/26/11/94/1078261194.db2.gz KXGXJMZJPOLMQW-SFHVURJKSA-N 1 0 419.529 2.632 20 0 HFADRO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000793713952 1078261791 /nfs/dbraw/zinc/26/17/91/1078261791.db2.gz QCMZEUPNMMVPRP-UNMCSNQZSA-N 1 0 415.578 2.536 20 0 HFADRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000793717272 1078263393 /nfs/dbraw/zinc/26/33/93/1078263393.db2.gz ILXDFIVILYNRSD-JOCHJYFZSA-N 1 0 411.521 2.821 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000793718399 1078263846 /nfs/dbraw/zinc/26/38/46/1078263846.db2.gz JJQZPUZNGJJVJZ-GOTSBHOMSA-N 1 0 423.557 2.686 20 0 HFADRO COCC1(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793728214 1078268490 /nfs/dbraw/zinc/26/84/90/1078268490.db2.gz DNIPCHOUCSUTSG-IBGZPJMESA-N 1 0 423.598 2.840 20 0 HFADRO CCCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000793726449 1078267455 /nfs/dbraw/zinc/26/74/55/1078267455.db2.gz RZNCGPWCUDVVRJ-MOPGFXCFSA-N 1 0 416.566 2.633 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000793692572 1078270048 /nfs/dbraw/zinc/27/00/48/1078270048.db2.gz ZWPTVXZYHJENSE-HXUWFJFHSA-N 1 0 423.557 2.941 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000793694507 1078271159 /nfs/dbraw/zinc/27/11/59/1078271159.db2.gz MDZDQAJCXMQZKJ-DENIHFKCSA-N 1 0 423.557 2.987 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000793697066 1078271867 /nfs/dbraw/zinc/27/18/67/1078271867.db2.gz GLJMMZKJOXMGGC-JKSUJKDBSA-N 1 0 405.514 2.782 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000793695673 1078271886 /nfs/dbraw/zinc/27/18/86/1078271886.db2.gz FBPGRWVAWJWAOA-OXJNMPFZSA-N 1 0 421.969 2.603 20 0 HFADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793699139 1078272782 /nfs/dbraw/zinc/27/27/82/1078272782.db2.gz MFZHNFRWWNWEPV-OAHLLOKOSA-N 1 0 410.356 2.788 20 0 HFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H](C)COc1ccccc1 ZINC000793700875 1078274148 /nfs/dbraw/zinc/27/41/48/1078274148.db2.gz MNQSNRKLPXKBMY-IRLDBZIGSA-N 1 0 423.557 2.941 20 0 HFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C)COc1ccccc1 ZINC000793700876 1078274185 /nfs/dbraw/zinc/27/41/85/1078274185.db2.gz MNQSNRKLPXKBMY-RBBKRZOGSA-N 1 0 423.557 2.941 20 0 HFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c1)CC2 ZINC000793762410 1078280554 /nfs/dbraw/zinc/28/05/54/1078280554.db2.gz LJVAYGNDTRXKSE-WOJBJXKFSA-N 1 0 422.529 2.665 20 0 HFADRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000793768307 1078283272 /nfs/dbraw/zinc/28/32/72/1078283272.db2.gz LHEPLAPARKGITB-BTYIYWSLSA-N 1 0 422.932 2.864 20 0 HFADRO C[N@@H+]1CC[C@]2(CCN(Cn3nc(N4CCCCC4)n(C[C@@H]4CCCO4)c3=S)C2)C1 ZINC000793747408 1078289404 /nfs/dbraw/zinc/28/94/04/1078289404.db2.gz QXIOVMWBTDZOSG-RXVVDRJESA-N 1 0 420.627 2.568 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793793437 1078298889 /nfs/dbraw/zinc/29/88/89/1078298889.db2.gz REKWOCGHOYNEPH-VWPQPMDRSA-N 1 0 423.557 2.905 20 0 HFADRO CSC[C@@H]1CCCN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000793797915 1078301150 /nfs/dbraw/zinc/30/11/50/1078301150.db2.gz RTXBNVMAPPQBCU-DENIHFKCSA-N 1 0 416.591 2.606 20 0 HFADRO Cc1cccc(OC[C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000793797997 1078301252 /nfs/dbraw/zinc/30/12/52/1078301252.db2.gz HVUOENQAZIAPDE-CJFMBICVSA-N 1 0 423.557 2.907 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793838612 1078310818 /nfs/dbraw/zinc/31/08/18/1078310818.db2.gz APUVYTGDTZXFSF-OAQYLSRUSA-N 1 0 408.546 2.501 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)CC1 ZINC000793822244 1078317405 /nfs/dbraw/zinc/31/74/05/1078317405.db2.gz AYMJQDQOERYFMC-FQEVSTJZSA-N 1 0 414.594 2.579 20 0 HFADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)([NH+](C)C)C1 ZINC000793812663 1078315421 /nfs/dbraw/zinc/31/54/21/1078315421.db2.gz MDROIYGSEGNOFT-MEKIYTOJSA-N 1 0 415.578 2.897 20 0 HFADRO COCC1(C(=O)NCC2(C[NH+](C)C)CCCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793815755 1078316153 /nfs/dbraw/zinc/31/61/53/1078316153.db2.gz QBSJZPWHOAQOQX-UHFFFAOYSA-N 1 0 411.587 2.888 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001170437857 1078319219 /nfs/dbraw/zinc/31/92/19/1078319219.db2.gz QKNSYPFGXFYJST-LVBDUCALSA-N 1 0 400.519 2.838 20 0 HFADRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793832376 1078320671 /nfs/dbraw/zinc/32/06/71/1078320671.db2.gz ZHUWLRWVKIYDIO-AQNXPRMDSA-N 1 0 410.518 2.567 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000793872148 1078329635 /nfs/dbraw/zinc/32/96/35/1078329635.db2.gz XRDMBJQYBXUVSP-JOCHJYFZSA-N 1 0 411.546 2.645 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000793867705 1078328395 /nfs/dbraw/zinc/32/83/95/1078328395.db2.gz QMVKWTBEEIGGGV-INIZCTEOSA-N 1 0 415.559 2.507 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000793901913 1078333051 /nfs/dbraw/zinc/33/30/51/1078333051.db2.gz OXTUSEIYXXBCRA-OALUTQOASA-N 1 0 414.594 2.695 20 0 HFADRO COCN1C(=O)CCc2cc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)ccc21 ZINC000793909309 1078335081 /nfs/dbraw/zinc/33/50/81/1078335081.db2.gz AZNBSDRHMNQUTL-IBGZPJMESA-N 1 0 408.502 2.815 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000793913354 1078336336 /nfs/dbraw/zinc/33/63/36/1078336336.db2.gz QTJZPPCZCMVRCM-QUCCMNQESA-N 1 0 403.567 2.504 20 0 HFADRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000793899630 1078343724 /nfs/dbraw/zinc/34/37/24/1078343724.db2.gz BGYCTIQLMWZGDP-UEXGIBASSA-N 1 0 421.557 2.580 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001170441065 1078344619 /nfs/dbraw/zinc/34/46/19/1078344619.db2.gz FXBAQQNKUTZRBO-CGXNFDGLSA-N 1 0 414.546 2.847 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000793960253 1078347932 /nfs/dbraw/zinc/34/79/32/1078347932.db2.gz SSYBYSXJIPWBGI-CWJKEVGVSA-N 1 0 421.626 2.839 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000793946745 1078355188 /nfs/dbraw/zinc/35/51/88/1078355188.db2.gz BVNKTITWSBZFDQ-HBFSDRIKSA-N 1 0 407.599 2.667 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001170442242 1078366212 /nfs/dbraw/zinc/36/62/12/1078366212.db2.gz KVJXJZCGLZYOLW-QCFAMHMHSA-N 1 0 414.546 2.990 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000794207900 1078382612 /nfs/dbraw/zinc/38/26/12/1078382612.db2.gz UHSGOIPSVKQXLG-JSRAGOMMSA-N 1 0 422.529 2.711 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001170444920 1078395852 /nfs/dbraw/zinc/39/58/52/1078395852.db2.gz VOBDXNNKSBQXAY-OALUTQOASA-N 1 0 400.519 2.697 20 0 HFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N(CCO)Cc1cccnc1Cl ZINC000794321593 1078413386 /nfs/dbraw/zinc/41/33/86/1078413386.db2.gz OISDGGTXCBUJGP-UHFFFAOYSA-N 1 0 416.953 2.658 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000794339086 1078419160 /nfs/dbraw/zinc/41/91/60/1078419160.db2.gz LMLOAVYKCUXXMN-FQEVSTJZSA-N 1 0 424.501 2.540 20 0 HFADRO O=C(CN1c2ccccc2OC(F)(F)C1=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000794365869 1078427013 /nfs/dbraw/zinc/42/70/13/1078427013.db2.gz MDXUARYXDCDHGJ-UHFFFAOYSA-N 1 0 407.461 2.918 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000794340608 1078419848 /nfs/dbraw/zinc/41/98/48/1078419848.db2.gz YNNNFFDFODOURM-JOCHJYFZSA-N 1 0 418.538 2.776 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000794341884 1078420226 /nfs/dbraw/zinc/42/02/26/1078420226.db2.gz APCJIANIDDASFK-SJLPKXTDSA-N 1 0 418.538 2.774 20 0 HFADRO C[C@@H]1CN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000772845551 1078435386 /nfs/dbraw/zinc/43/53/86/1078435386.db2.gz IQKNJUDMDRXFBE-ZMYBRWDISA-N 1 0 414.377 2.901 20 0 HFADRO C[C@]1(CNC(=O)C(=O)N[C@@H]2CCc3c2cccc3O)CC[N@H+](Cc2ccccc2)C1 ZINC000804399811 1078463785 /nfs/dbraw/zinc/46/37/85/1078463785.db2.gz GUTJRURNDNXWLX-HYBUGGRVSA-N 1 0 407.514 2.524 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000747204152 1078473824 /nfs/dbraw/zinc/47/38/24/1078473824.db2.gz LUIAACRAQJZMMM-ZWKOTPCHSA-N 1 0 415.563 2.766 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ncccc2C(=O)N(C)C)CC1 ZINC001170450797 1078481115 /nfs/dbraw/zinc/48/11/15/1078481115.db2.gz UVXKUFSKOSVQQC-GOSISDBHSA-N 1 0 410.518 2.655 20 0 HFADRO Cc1cc(F)c(Br)cc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001129458111 1078484600 /nfs/dbraw/zinc/48/46/00/1078484600.db2.gz LGZUAIBZSHLOJG-UHFFFAOYSA-N 1 0 414.319 2.619 20 0 HFADRO Cc1ccc(NC(=O)Cc2nc(CN3CCC(CO)([NH2+]C(C)C)CC3)cs2)cc1 ZINC001170461214 1078503343 /nfs/dbraw/zinc/50/33/43/1078503343.db2.gz ZLBXUFIOHIRDAO-UHFFFAOYSA-N 1 0 416.591 2.958 20 0 HFADRO Cc1[nH]c(=S)sc1CC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446954 1078514213 /nfs/dbraw/zinc/51/42/13/1078514213.db2.gz SHIKPBCNAARZMD-SFHVURJKSA-N 1 0 416.616 2.701 20 0 HFADRO O=C(Cn1nnnc1-c1ccsc1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001129486346 1078506563 /nfs/dbraw/zinc/50/65/63/1078506563.db2.gz HSBRMFGMLBUXTA-GOSISDBHSA-N 1 0 410.547 2.820 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cn(-c2cccc(C)c2)nn1 ZINC001129812505 1078510485 /nfs/dbraw/zinc/51/04/85/1078510485.db2.gz CQPDJQYFJFABDH-NFBKMPQASA-N 1 0 419.529 2.843 20 0 HFADRO O=C(c1ccc(Cn2cccn2)o1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446407 1078511134 /nfs/dbraw/zinc/51/11/34/1078511134.db2.gz FXTNSLNPWOWXJH-NRFANRHFSA-N 1 0 419.529 2.557 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C)nc2c1cnn2C ZINC001129813777 1078511758 /nfs/dbraw/zinc/51/17/58/1078511758.db2.gz UJBABHMJKDEVIB-WIYYLYMNSA-N 1 0 407.518 2.544 20 0 HFADRO COc1ccc(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1Cl ZINC000804448612 1078516820 /nfs/dbraw/zinc/51/68/20/1078516820.db2.gz PIBXOVIPMHGIDD-GOSISDBHSA-N 1 0 414.937 2.776 20 0 HFADRO COCC1(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804525454 1078563394 /nfs/dbraw/zinc/56/33/94/1078563394.db2.gz CIMHOTHVAVGGLT-MSOLQXFVSA-N 1 0 409.571 2.735 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000804525218 1078563423 /nfs/dbraw/zinc/56/34/23/1078563423.db2.gz IVLBKGRWSSRGBG-CVEARBPZSA-N 1 0 411.543 2.553 20 0 HFADRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC001129570968 1078563837 /nfs/dbraw/zinc/56/38/37/1078563837.db2.gz CBCXBENIDKBJFX-GHTZIAJQSA-N 1 0 421.545 2.707 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)N3CC([N@H+](C)Cc4ccccc4)C3)c(=O)[nH]c21 ZINC000804530326 1078567387 /nfs/dbraw/zinc/56/73/87/1078567387.db2.gz DBQQJLZHWSXMFD-MDZDMXLPSA-N 1 0 405.502 2.662 20 0 HFADRO C[C@@]1(CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1(Cl)Cl ZINC001129872822 1078569201 /nfs/dbraw/zinc/56/92/01/1078569201.db2.gz RLKVUWVZUOXGNT-LJQANCHMSA-N 1 0 412.361 2.974 20 0 HFADRO CC1=C(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[C@@H](C)n2ncnc2N1C ZINC000804533263 1078569749 /nfs/dbraw/zinc/56/97/49/1078569749.db2.gz AWRAQQXXDMQXIK-JPYJTQIMSA-N 1 0 406.534 2.688 20 0 HFADRO CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000804533666 1078571246 /nfs/dbraw/zinc/57/12/46/1078571246.db2.gz IOQJFNLYJZCOJA-AUSIDOKSSA-N 1 0 413.518 2.598 20 0 HFADRO COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001129905747 1078577454 /nfs/dbraw/zinc/57/74/54/1078577454.db2.gz PGOXPCQAYWNXKY-HJPURHCSSA-N 1 0 417.550 2.914 20 0 HFADRO CCN(CC(=O)N1CCCCCC1)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000804744457 1078579295 /nfs/dbraw/zinc/57/92/95/1078579295.db2.gz KDUSPSRGLRRLDC-SDNWHVSQSA-N 1 0 401.551 2.891 20 0 HFADRO COC1(C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)CCOCC1 ZINC001129610779 1078581159 /nfs/dbraw/zinc/58/11/59/1078581159.db2.gz BICINDDMSZDLIF-UHFFFAOYSA-N 1 0 421.969 2.649 20 0 HFADRO CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC001129627928 1078601150 /nfs/dbraw/zinc/60/11/50/1078601150.db2.gz AJCHRTQSEWBBFG-IBGZPJMESA-N 1 0 405.564 2.591 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 ZINC000804567476 1078601842 /nfs/dbraw/zinc/60/18/42/1078601842.db2.gz OHYNRYWLGFRICS-QHCPKHFHSA-N 1 0 417.550 2.796 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000804567161 1078602285 /nfs/dbraw/zinc/60/22/85/1078602285.db2.gz LTEQDXIMBJOYGQ-UHFFFAOYSA-N 1 0 411.543 2.605 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000804776858 1078603131 /nfs/dbraw/zinc/60/31/31/1078603131.db2.gz INQHNCCMIDOGLU-RKCQOLGWSA-N 1 0 419.591 2.690 20 0 HFADRO CC(C)[C@H](C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+]1CCCCC1 ZINC000804761330 1078611467 /nfs/dbraw/zinc/61/14/67/1078611467.db2.gz BWFAQYASGMZZSE-WOJBJXKFSA-N 1 0 422.614 2.651 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(OCC(=O)OC(C)(C)C)c2)CC1 ZINC001129964370 1078638049 /nfs/dbraw/zinc/63/80/49/1078638049.db2.gz IMXZLEJRRVUROQ-UHFFFAOYSA-N 1 0 419.566 2.553 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 ZINC001129961581 1078635344 /nfs/dbraw/zinc/63/53/44/1078635344.db2.gz AGWBCKXOOXYFJM-UHFFFAOYSA-N 1 0 416.547 2.685 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C(CC)CC)C1 ZINC001129967236 1078661171 /nfs/dbraw/zinc/66/11/71/1078661171.db2.gz LXXMYVIWFQKUIL-KCZVDYSFSA-N 1 0 415.578 2.677 20 0 HFADRO CCN1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1=O ZINC001129677166 1078665501 /nfs/dbraw/zinc/66/55/01/1078665501.db2.gz DZGZXZLSNRARGQ-ILWGZMRPSA-N 1 0 409.505 2.778 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000804829458 1078669335 /nfs/dbraw/zinc/66/93/35/1078669335.db2.gz VZWJOTSJGXZOQB-UHFFFAOYSA-N 1 0 410.562 2.658 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000804828967 1078669708 /nfs/dbraw/zinc/66/97/08/1078669708.db2.gz GRUZGYXZEYFOQP-UHFFFAOYSA-N 1 0 422.573 2.802 20 0 HFADRO Cc1cccnc1Oc1ccc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC001129719296 1078672201 /nfs/dbraw/zinc/67/22/01/1078672201.db2.gz BAANIWXSNVGORG-UHFFFAOYSA-N 1 0 424.545 2.709 20 0 HFADRO Cc1ccc(C(C)C)c(OCCC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC001129719998 1078672679 /nfs/dbraw/zinc/67/26/79/1078672679.db2.gz JUASIGISVSYATP-UHFFFAOYSA-N 1 0 417.594 2.800 20 0 HFADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001170459362 1078677030 /nfs/dbraw/zinc/67/70/30/1078677030.db2.gz DUKZMBJZPSAMAD-HNNXBMFYSA-N 1 0 417.472 2.587 20 0 HFADRO C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804871950 1078695088 /nfs/dbraw/zinc/69/50/88/1078695088.db2.gz XXIGIUKKCMHABC-KKUMJFAQSA-N 1 0 406.493 2.738 20 0 HFADRO COC[C@@]1(CNC(=O)NC2CC[NH+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000804871668 1078694132 /nfs/dbraw/zinc/69/41/32/1078694132.db2.gz QIJKNNXMVQGHRW-NRFANRHFSA-N 1 0 412.575 2.575 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000804644607 1078697077 /nfs/dbraw/zinc/69/70/77/1078697077.db2.gz KTAVKLWLUWTCQM-RZTXVSJASA-N 1 0 423.557 2.570 20 0 HFADRO CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCO1 ZINC001129742866 1078715786 /nfs/dbraw/zinc/71/57/86/1078715786.db2.gz VXBLXBOTZASVGB-PZJWPPBQSA-N 1 0 401.551 2.595 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000804635432 1078716319 /nfs/dbraw/zinc/71/63/19/1078716319.db2.gz LOYUOZPIVZHFKM-NHCUHLMSSA-N 1 0 415.534 2.792 20 0 HFADRO O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000804637378 1078722146 /nfs/dbraw/zinc/72/21/46/1078722146.db2.gz JKWSVAIRWVXSIL-LEWJYISDSA-N 1 0 424.501 2.757 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000804894793 1078751489 /nfs/dbraw/zinc/75/14/89/1078751489.db2.gz RQUBKYJDDGBIKA-UHFFFAOYSA-N 1 0 402.539 2.601 20 0 HFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CC1 ZINC000804943399 1078770645 /nfs/dbraw/zinc/77/06/45/1078770645.db2.gz HRJCMTCBRGXQCB-ICSRJNTNSA-N 1 0 406.530 2.739 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000804952088 1078779822 /nfs/dbraw/zinc/77/98/22/1078779822.db2.gz IJPQWOLDEAHNQP-DNQXCXABSA-N 1 0 424.589 2.960 20 0 HFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000804944963 1078774411 /nfs/dbraw/zinc/77/44/11/1078774411.db2.gz LSYLKJSZOXEADN-OPAMFIHVSA-N 1 0 421.545 2.620 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804954633 1078796102 /nfs/dbraw/zinc/79/61/02/1078796102.db2.gz GAPWTHZAIPJLBA-QZWWFDLISA-N 1 0 420.520 2.986 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)Cc3noc4ccccc34)cc2)CC1 ZINC000804964740 1078801540 /nfs/dbraw/zinc/80/15/40/1078801540.db2.gz RIMJAPNHPKYARN-UHFFFAOYSA-N 1 0 422.485 2.694 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000804976614 1078811930 /nfs/dbraw/zinc/81/19/30/1078811930.db2.gz HTTQBLKDZAZAGE-ALKREAHSSA-N 1 0 413.440 2.959 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)NCC1CCN(C(=O)OC)CC1)Cc1ccccc1 ZINC000805019016 1078830854 /nfs/dbraw/zinc/83/08/54/1078830854.db2.gz BQBVRAAVRYIOTO-HXUWFJFHSA-N 1 0 404.555 2.717 20 0 HFADRO O=S(=O)(Cc1cccc(Br)c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000805005520 1078850170 /nfs/dbraw/zinc/85/01/70/1078850170.db2.gz QBQXNNLXJOYAAO-QGZVFWFLSA-N 1 0 417.369 2.512 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000804997515 1078846509 /nfs/dbraw/zinc/84/65/09/1078846509.db2.gz NPYHDARTUHBHJZ-ZDUSSCGKSA-N 1 0 421.405 2.670 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1Cl ZINC000805112648 1078897729 /nfs/dbraw/zinc/89/77/29/1078897729.db2.gz CHCJCFCAACEDCB-RYUDHWBXSA-N 1 0 406.957 2.744 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000805119040 1078902278 /nfs/dbraw/zinc/90/22/78/1078902278.db2.gz HFJPTVCRRBZNRD-VQIMIIECSA-N 1 0 413.440 2.788 20 0 HFADRO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000805074723 1078906532 /nfs/dbraw/zinc/90/65/32/1078906532.db2.gz OIEOUVMXCSMGSF-NVXWUHKLSA-N 1 0 401.429 2.632 20 0 HFADRO COC1(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074811 1078906645 /nfs/dbraw/zinc/90/66/45/1078906645.db2.gz QBBZJFKOIDQMKR-BTDURJGWSA-N 1 0 401.551 2.892 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000805089430 1078916952 /nfs/dbraw/zinc/91/69/52/1078916952.db2.gz PRUKUIPPCLBZMQ-KRWDZBQOSA-N 1 0 417.472 2.927 20 0 HFADRO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747232022 1078949883 /nfs/dbraw/zinc/94/98/83/1078949883.db2.gz PTXRFFLQUYTDRD-FSSWDIPSSA-N 1 0 407.514 2.527 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)CCSC1 ZINC000805181364 1078965310 /nfs/dbraw/zinc/96/53/10/1078965310.db2.gz KMQMHNMJOJRBOM-FXAWDEMLSA-N 1 0 412.600 2.657 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000805182232 1078965659 /nfs/dbraw/zinc/96/56/59/1078965659.db2.gz WBLGAAWSPXEDLW-VGOFRKELSA-N 1 0 406.571 2.903 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000805181223 1078965683 /nfs/dbraw/zinc/96/56/83/1078965683.db2.gz SMNVYHWVHZVOEQ-SFHVURJKSA-N 1 0 422.017 2.618 20 0 HFADRO COC[C@]1(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000805191839 1078968607 /nfs/dbraw/zinc/96/86/07/1078968607.db2.gz RNKXDUAAYXWWNV-IIBYNOLFSA-N 1 0 414.591 2.678 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805196165 1078969933 /nfs/dbraw/zinc/96/99/33/1078969933.db2.gz OSQXNGZTPRXJFI-QFIPXVFZSA-N 1 0 414.937 2.864 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000805244992 1078981597 /nfs/dbraw/zinc/98/15/97/1078981597.db2.gz VQSVIYJVVDPPRQ-IBGZPJMESA-N 1 0 423.513 2.562 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000747234283 1078989900 /nfs/dbraw/zinc/98/99/00/1078989900.db2.gz NZPLMMUTFDAMBX-HOTGVXAUSA-N 1 0 400.500 2.779 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)c2nn(C)c(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000805275601 1079004935 /nfs/dbraw/zinc/00/49/35/1079004935.db2.gz LYVGKKCPLCSRFT-FQEVSTJZSA-N 1 0 408.502 2.753 20 0 HFADRO C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001130138898 1079007769 /nfs/dbraw/zinc/00/77/69/1079007769.db2.gz INRNPDVNJIBWBW-MGPQQGTHSA-N 1 0 418.563 2.802 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000805332863 1079022706 /nfs/dbraw/zinc/02/27/06/1079022706.db2.gz BNIZLFGBRWSGHK-VQIMIIECSA-N 1 0 423.554 2.699 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000805334340 1079023960 /nfs/dbraw/zinc/02/39/60/1079023960.db2.gz FYSRKNRZLIGVPD-QFBILLFUSA-N 1 0 420.517 2.539 20 0 HFADRO Cc1cc(=O)oc2cc(N(C)C(=O)CC[NH+]3CCN(c4ccccn4)CC3)ccc12 ZINC000805354268 1079030196 /nfs/dbraw/zinc/03/01/96/1079030196.db2.gz LWHOAQGNNJBMHF-UHFFFAOYSA-N 1 0 406.486 2.672 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)c1 ZINC000805312787 1079033087 /nfs/dbraw/zinc/03/30/87/1079033087.db2.gz XALPULSBHHLWCT-OAQYLSRUSA-N 1 0 424.501 2.720 20 0 HFADRO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)CC1 ZINC000747240833 1079037982 /nfs/dbraw/zinc/03/79/82/1079037982.db2.gz MQVBTYRZJFCGFO-UHFFFAOYSA-N 1 0 421.494 2.555 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000805397742 1079039520 /nfs/dbraw/zinc/03/95/20/1079039520.db2.gz UORDOPSJLMHLKT-QFBILLFUSA-N 1 0 413.440 2.646 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000805359002 1079045372 /nfs/dbraw/zinc/04/53/72/1079045372.db2.gz WDZVHJBRKFGMEK-GOTSBHOMSA-N 1 0 411.546 2.873 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000805425257 1079057104 /nfs/dbraw/zinc/05/71/04/1079057104.db2.gz MZQLUGQARXSEIJ-KRWDZBQOSA-N 1 0 404.555 2.935 20 0 HFADRO CC[C@@H]1CN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)S1(=O)=O ZINC000805437013 1079063911 /nfs/dbraw/zinc/06/39/11/1079063911.db2.gz FTUGRGYREZRZFB-YFVAEKQCSA-N 1 0 407.580 2.506 20 0 HFADRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206201 1079083879 /nfs/dbraw/zinc/08/38/79/1079083879.db2.gz JPRHULVDJHXMBT-OCCSQVGLSA-N 1 0 417.926 2.661 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)ccc1F ZINC000747243464 1079089489 /nfs/dbraw/zinc/08/94/89/1079089489.db2.gz TUVMBKMJCJWXRJ-UHFFFAOYSA-N 1 0 420.506 2.598 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000747247831 1079110594 /nfs/dbraw/zinc/11/05/94/1079110594.db2.gz PJZALZNGTKKEAD-GCGULEOZSA-N 1 0 408.564 2.909 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(Cl)cc1Cl ZINC000747249545 1079124292 /nfs/dbraw/zinc/12/42/92/1079124292.db2.gz VQEFASCZXPMRSS-UHFFFAOYSA-N 1 0 421.346 2.933 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[N@H+](CC3CCCCC3)CC2)ccc1F ZINC000747249969 1079146659 /nfs/dbraw/zinc/14/66/59/1079146659.db2.gz FKDOACRCPMGWSF-UHFFFAOYSA-N 1 0 412.527 2.889 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)cc1 ZINC001130273270 1079168193 /nfs/dbraw/zinc/16/81/93/1079168193.db2.gz PMZRPHBLJLYTML-FLSMSTFGSA-N 1 0 421.541 2.805 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000805637600 1079190205 /nfs/dbraw/zinc/19/02/05/1079190205.db2.gz VNBVLQDJTWCPSO-SFHVURJKSA-N 1 0 411.550 2.505 20 0 HFADRO CSCC[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1C(=O)c2ccccc2C1=O ZINC001130301506 1079193768 /nfs/dbraw/zinc/19/37/68/1079193768.db2.gz POYXBPAJVWOLIC-IPMKNSEASA-N 1 0 415.559 2.537 20 0 HFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001130302219 1079194293 /nfs/dbraw/zinc/19/42/93/1079194293.db2.gz YFJIGPRLFHXZRR-VQTJNVASSA-N 1 0 405.489 2.950 20 0 HFADRO Cc1ncc(CCNC(=O)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)s1 ZINC000805646773 1079200593 /nfs/dbraw/zinc/20/05/93/1079200593.db2.gz BYTLEXMCVBDLLX-INIZCTEOSA-N 1 0 414.575 2.890 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000805654689 1079205567 /nfs/dbraw/zinc/20/55/67/1079205567.db2.gz ZDDFHAUEJSTTTR-UHFFFAOYSA-N 1 0 423.469 2.733 20 0 HFADRO CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)CN2CCC(=O)NC2=O)cc1 ZINC001130314735 1079209146 /nfs/dbraw/zinc/20/91/46/1079209146.db2.gz OMENKMHHIVPYDC-UHFFFAOYSA-N 1 0 408.502 2.979 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1C ZINC000805675125 1079214408 /nfs/dbraw/zinc/21/44/08/1079214408.db2.gz JDGZEWZFLIYNFO-OAQYLSRUSA-N 1 0 408.546 2.828 20 0 HFADRO C[C@@H](CO)[N@H+](CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)C1CCCC1 ZINC000805752149 1079231072 /nfs/dbraw/zinc/23/10/72/1079231072.db2.gz ZLQKBIVYCNJBMA-KRWDZBQOSA-N 1 0 413.518 2.798 20 0 HFADRO CCOC(=O)Cc1ccnc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1C ZINC001170487649 1079239666 /nfs/dbraw/zinc/23/96/66/1079239666.db2.gz ZQUUBQQQRZQGOX-LMDPOFIKSA-N 1 0 424.545 2.867 20 0 HFADRO Cn1ncc2c1nc(C[N@H+](CCCNC(=O)OC(C)(C)C)CC1CCCC1)[nH]c2=O ZINC000805779032 1079249643 /nfs/dbraw/zinc/24/96/43/1079249643.db2.gz OLGPJSCTRZYPCU-UHFFFAOYSA-N 1 0 418.542 2.976 20 0 HFADRO CC(C)(C)OC(=O)NCCC[N@H+](CC1CCCC1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000805779432 1079249787 /nfs/dbraw/zinc/24/97/87/1079249787.db2.gz WVMQPZAWDMKIBW-SFHVURJKSA-N 1 0 417.616 2.675 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ncc(-c4cccnc4)cn3)cc2)CC1 ZINC001170488862 1079274380 /nfs/dbraw/zinc/27/43/80/1079274380.db2.gz FIRCWCCVXFPYHC-WWDZGPRUSA-N 1 0 402.502 2.910 20 0 HFADRO COC[C@@]1(C)CC[N@H+](C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001170488896 1079274434 /nfs/dbraw/zinc/27/44/34/1079274434.db2.gz BJNSJFXPHFWOKB-HKUYNNGSSA-N 1 0 400.441 2.525 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000805765670 1079266008 /nfs/dbraw/zinc/26/60/08/1079266008.db2.gz OBYXJONASRLXGY-IPMKNSEASA-N 1 0 409.571 2.926 20 0 HFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001130368842 1079266519 /nfs/dbraw/zinc/26/65/19/1079266519.db2.gz BJFUWNQLUJMYOF-RCCFBDPRSA-N 1 0 407.580 2.804 20 0 HFADRO Cc1cc(-c2nccn2C)c(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)nn1 ZINC001170489282 1079285922 /nfs/dbraw/zinc/28/59/22/1079285922.db2.gz HYXZKJWIVQQUAO-WWDZGPRUSA-N 1 0 419.533 2.557 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)CCC2 ZINC000805816418 1079289565 /nfs/dbraw/zinc/28/95/65/1079289565.db2.gz ZUYLXMJAIPLVEK-IBGZPJMESA-N 1 0 403.571 2.730 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000747268159 1079295084 /nfs/dbraw/zinc/29/50/84/1079295084.db2.gz ARODJKWBWNLJBI-RDPWEWGOSA-N 1 0 414.527 2.816 20 0 HFADRO O=C(CN1CCCC[C@H]1COC(=O)NC1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000805827383 1079296945 /nfs/dbraw/zinc/29/69/45/1079296945.db2.gz QSYKNDZDVJRGSC-NRFANRHFSA-N 1 0 420.598 2.643 20 0 HFADRO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805828876 1079298861 /nfs/dbraw/zinc/29/88/61/1079298861.db2.gz CRUBSNSVENOFRV-HXUWFJFHSA-N 1 0 408.587 2.500 20 0 HFADRO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)c(C)c1OC ZINC000805830684 1079299457 /nfs/dbraw/zinc/29/94/57/1079299457.db2.gz MYSYGQCYEBEUHJ-BTYIYWSLSA-N 1 0 407.532 2.974 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000805830584 1079299505 /nfs/dbraw/zinc/29/95/05/1079299505.db2.gz KWWFITJTTGIAAQ-HSZRJFAPSA-N 1 0 414.550 2.772 20 0 HFADRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC001170491077 1079304278 /nfs/dbraw/zinc/30/42/78/1079304278.db2.gz RNVUYJCTZMRAGQ-NVXWUHKLSA-N 1 0 401.370 2.856 20 0 HFADRO CS(=O)(=O)CCCOc1cccc2c1CC[C@@H]2OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000805888161 1079339719 /nfs/dbraw/zinc/33/97/19/1079339719.db2.gz LSQKFWQJSGCPFU-NRFANRHFSA-N 1 0 421.559 2.905 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)CCC2 ZINC000805940545 1079343760 /nfs/dbraw/zinc/34/37/60/1079343760.db2.gz STGMLMGMVQUMJH-YLJYHZDGSA-N 1 0 411.550 2.594 20 0 HFADRO COC(=O)[C@]1(NC(=O)C[C@@H]2OCc3ccccc32)CCC[N@H+](Cc2ccccc2)C1 ZINC001130448182 1079349242 /nfs/dbraw/zinc/34/92/42/1079349242.db2.gz LPWQGRKCQSIMPU-URXFXBBRSA-N 1 0 408.498 2.972 20 0 HFADRO CCO[C@@H](C(=O)N[C@@]1(C(=O)OC)CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001130448372 1079349697 /nfs/dbraw/zinc/34/96/97/1079349697.db2.gz RSYKDVYVGHJWDT-OFNKIYASSA-N 1 0 402.535 2.906 20 0 HFADRO CCOC(=O)Cc1ccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cn1 ZINC001170494203 1079365157 /nfs/dbraw/zinc/36/51/57/1079365157.db2.gz WQIQUHAFMWRKNJ-WWDZGPRUSA-N 1 0 410.518 2.559 20 0 HFADRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC001130455004 1079378931 /nfs/dbraw/zinc/37/89/31/1079378931.db2.gz RYHXUFJTEIWLKB-IPMKNSEASA-N 1 0 406.530 2.850 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cccc(CS(C)(=O)=O)c3)cc2)CC1 ZINC001170495944 1079392767 /nfs/dbraw/zinc/39/27/67/1079392767.db2.gz GXBYSSVYRDVYCQ-IPJUCJBFSA-N 1 0 415.559 2.603 20 0 HFADRO CCNC(=O)Oc1cccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130489315 1079413105 /nfs/dbraw/zinc/41/31/05/1079413105.db2.gz CLVQBIVUANMDNK-PMACEKPBSA-N 1 0 414.506 2.948 20 0 HFADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806134644 1079435082 /nfs/dbraw/zinc/43/50/82/1079435082.db2.gz MHGSJUYDOPVWQW-MAUKXSAKSA-N 1 0 421.950 2.969 20 0 HFADRO CCc1nc([C@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000806110579 1079440533 /nfs/dbraw/zinc/44/05/33/1079440533.db2.gz ICABEXBQJNJCCC-KSFYIVLOSA-N 1 0 414.575 2.911 20 0 HFADRO C[C@H](Sc1ncccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCCC1 ZINC001130518242 1079449452 /nfs/dbraw/zinc/44/94/52/1079449452.db2.gz ISJUOQDEHSZFOW-YTQUADARSA-N 1 0 416.591 2.931 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC001130518915 1079450257 /nfs/dbraw/zinc/45/02/57/1079450257.db2.gz QUXKGSZDGKDRNA-BZSNNMDCSA-N 1 0 409.571 2.830 20 0 HFADRO COc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1S(=O)(=O)NC(C)(C)C ZINC001130519868 1079451535 /nfs/dbraw/zinc/45/15/35/1079451535.db2.gz YLAMMFPOTUSLGT-IRXDYDNUSA-N 1 0 423.579 2.519 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1)c1ccco1 ZINC000806174520 1079464196 /nfs/dbraw/zinc/46/41/96/1079464196.db2.gz XYMOZTWIDDADQF-PBHICJAKSA-N 1 0 424.523 2.712 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc(O[C@@H]4CCOC4)ccn3)cc2)CC1 ZINC001170500828 1079464420 /nfs/dbraw/zinc/46/44/20/1079464420.db2.gz PWNLFNRSFJRDMP-FRVUEHSBSA-N 1 0 410.518 2.621 20 0 HFADRO Cn1nc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1C(F)(F)F ZINC001130527856 1079464521 /nfs/dbraw/zinc/46/45/21/1079464521.db2.gz IZTLZSLYGSRCGQ-IAGOWNOFSA-N 1 0 408.424 2.554 20 0 HFADRO COCc1cc([C@H](C)[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1OC ZINC000806183096 1079476707 /nfs/dbraw/zinc/47/67/07/1079476707.db2.gz LYTZSGNJGNTKER-LPHOPBHVSA-N 1 0 404.532 2.955 20 0 HFADRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806183190 1079478004 /nfs/dbraw/zinc/47/80/04/1079478004.db2.gz OYAAWBLOZIRLDG-IKGGRYGDSA-N 1 0 411.568 2.731 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000806206708 1079493026 /nfs/dbraw/zinc/49/30/26/1079493026.db2.gz KIYIDCQNYCMQCX-UHFFFAOYSA-N 1 0 424.998 2.528 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(-n3nccn3)nc2)[NH+](C)C)cc1 ZINC000806212398 1079496799 /nfs/dbraw/zinc/49/67/99/1079496799.db2.gz PDHKSULCNAWYHT-IBGZPJMESA-N 1 0 409.494 2.874 20 0 HFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000787300866 1076748509 /nfs/dbraw/zinc/74/85/09/1076748509.db2.gz WLWZRTPYTRJBJK-SFTDATJTSA-N 1 0 424.589 2.670 20 0 HFADRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000746676201 1076750431 /nfs/dbraw/zinc/75/04/31/1076750431.db2.gz IEOYNXSHOABBAV-HKUYNNGSSA-N 1 0 412.534 2.616 20 0 HFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787308653 1076755371 /nfs/dbraw/zinc/75/53/71/1076755371.db2.gz FPNVPVCUIDUCGJ-INIZCTEOSA-N 1 0 405.543 2.690 20 0 HFADRO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000787323196 1076766788 /nfs/dbraw/zinc/76/67/88/1076766788.db2.gz ARYNJTNROFFFOW-YQVWRLOYSA-N 1 0 424.586 2.527 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000787339834 1076783937 /nfs/dbraw/zinc/78/39/37/1076783937.db2.gz LOBGFTSXMDKDJD-UHFFFAOYSA-N 1 0 416.472 2.624 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000787354831 1076794416 /nfs/dbraw/zinc/79/44/16/1076794416.db2.gz XQVZDZOCNOELMG-UHFFFAOYSA-N 1 0 422.520 2.713 20 0 HFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393007 1076806065 /nfs/dbraw/zinc/80/60/65/1076806065.db2.gz FSKHECOXIGVGPI-HZPDHXFCSA-N 1 0 405.543 2.690 20 0 HFADRO C[C@H]1CN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C[C@@H](CO)O1 ZINC000787407111 1076809906 /nfs/dbraw/zinc/80/99/06/1076809906.db2.gz RVMYASTVTXCLME-PXNSSMCTSA-N 1 0 418.538 2.505 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([C@@H]4CCN(C(=O)OC(C)(C)C)C4)[nH]n3)CC[C@@H]21 ZINC000787447616 1076815190 /nfs/dbraw/zinc/81/51/90/1076815190.db2.gz WPCPJAITYDXUPB-MDZRGWNJSA-N 1 0 417.554 2.690 20 0 HFADRO C[NH+]1CCC(C)(CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787509526 1076830225 /nfs/dbraw/zinc/83/02/25/1076830225.db2.gz QRMMUSPAPFWOKD-HNNXBMFYSA-N 1 0 405.543 2.596 20 0 HFADRO C[C@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000787482493 1076840951 /nfs/dbraw/zinc/84/09/51/1076840951.db2.gz IDTLXPQIFBIOCI-WMLDXEAASA-N 1 0 401.885 2.953 20 0 HFADRO CCOc1ccc(-c2nnc(SCCCN3CC[NH+](C(C)C)CC3)n2N)cc1 ZINC000787488701 1076844680 /nfs/dbraw/zinc/84/46/80/1076844680.db2.gz DMOONNNWLQGJMQ-UHFFFAOYSA-N 1 0 404.584 2.566 20 0 HFADRO O=C(/C(=C\c1cccs1)n1nnnc1-c1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000787523350 1076846873 /nfs/dbraw/zinc/84/68/73/1076846873.db2.gz MRKNOTLRISASIJ-XDJHFCHBSA-N 1 0 406.515 2.706 20 0 HFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)Nc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000787529104 1076848824 /nfs/dbraw/zinc/84/88/24/1076848824.db2.gz UUMWUWIEAGEDLD-UHFFFAOYSA-N 1 0 412.578 2.910 20 0 HFADRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000787541851 1076854589 /nfs/dbraw/zinc/85/45/89/1076854589.db2.gz MHNCNAYDIISCSX-KNQAVFIVSA-N 1 0 410.514 2.598 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(I)cc2)CC1 ZINC000787578851 1076870580 /nfs/dbraw/zinc/87/05/80/1076870580.db2.gz MKVOXHBEOPTUKH-UHFFFAOYSA-N 1 0 416.303 2.864 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000787606168 1076875713 /nfs/dbraw/zinc/87/57/13/1076875713.db2.gz DBTSVYHVRKJRTF-CYBMUJFWSA-N 1 0 413.490 2.652 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCc2ccccc2OC1)c1ccsc1 ZINC000787616072 1076879873 /nfs/dbraw/zinc/87/98/73/1076879873.db2.gz KTSYCMNUFJSOJU-OALUTQOASA-N 1 0 415.559 2.757 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)c1ccsc1 ZINC000787616480 1076880114 /nfs/dbraw/zinc/88/01/14/1076880114.db2.gz MHQHWZNSOVMQQA-LJQANCHMSA-N 1 0 417.575 2.791 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000746700963 1076881343 /nfs/dbraw/zinc/88/13/43/1076881343.db2.gz BQOVDJAZFKSGHU-CZAAIQMYSA-N 1 0 408.564 2.880 20 0 HFADRO COC(=O)c1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c(C)c1C ZINC001170075417 1076887128 /nfs/dbraw/zinc/88/71/28/1076887128.db2.gz XCIVNZIKDVBOKX-UHFFFAOYSA-N 1 0 413.499 2.792 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)N(C)c1ccccc1 ZINC000787636874 1076891331 /nfs/dbraw/zinc/89/13/31/1076891331.db2.gz JAGHBBJILDBVRP-LWEYNCJUSA-N 1 0 400.567 2.541 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)CCC2 ZINC000787637907 1076891734 /nfs/dbraw/zinc/89/17/34/1076891734.db2.gz LYDISABWSBULCI-OALUTQOASA-N 1 0 415.513 2.516 20 0 HFADRO [NH3+]CCN(c1cccc(-c2cccnc2)n1)S(=O)(=O)c1cccc2cnccc21 ZINC001170075976 1076903185 /nfs/dbraw/zinc/90/31/85/1076903185.db2.gz PCCBQFBAOXIRFZ-UHFFFAOYSA-N 1 0 405.483 2.846 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000787669664 1076905749 /nfs/dbraw/zinc/90/57/49/1076905749.db2.gz KLPSLSOQJSPXDE-OAQYLSRUSA-N 1 0 403.567 2.648 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000787681480 1076909505 /nfs/dbraw/zinc/90/95/05/1076909505.db2.gz CSIKPWMHXYXBBJ-IPEVAPCJSA-N 1 0 423.513 2.762 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000787682992 1076910004 /nfs/dbraw/zinc/91/00/04/1076910004.db2.gz FOYIKSRWGSTEGI-CQSZACIVSA-N 1 0 404.511 2.625 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000787710646 1076922206 /nfs/dbraw/zinc/92/22/06/1076922206.db2.gz MUVOAMUHJZPLGW-DYESRHJHSA-N 1 0 423.579 2.703 20 0 HFADRO Cn1cc(C[NH2+][C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C(F)(F)F)n1 ZINC000787761333 1076929934 /nfs/dbraw/zinc/92/99/34/1076929934.db2.gz JQYQLWZLKKOBKS-HUUCEWRRSA-N 1 0 418.460 2.943 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787762471 1076930262 /nfs/dbraw/zinc/93/02/62/1076930262.db2.gz WRLLSPRZPSKXTK-NRFANRHFSA-N 1 0 408.546 2.712 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787734666 1076935294 /nfs/dbraw/zinc/93/52/94/1076935294.db2.gz COXVLEQGOVHQDU-DENIHFKCSA-N 1 0 409.530 2.914 20 0 HFADRO Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000787773874 1076942724 /nfs/dbraw/zinc/94/27/24/1076942724.db2.gz RHILCJCEDZSFJZ-UHFFFAOYSA-N 1 0 411.535 2.644 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000787872211 1076968738 /nfs/dbraw/zinc/96/87/38/1076968738.db2.gz AEXOCBMRMYDDKB-UHFFFAOYSA-N 1 0 404.873 2.902 20 0 HFADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000787880376 1076974326 /nfs/dbraw/zinc/97/43/26/1076974326.db2.gz RYAYAZSSWLPETM-HUUCEWRRSA-N 1 0 411.930 2.683 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2nc(Cc3ccccc3)no2)cc1 ZINC000787885201 1076977585 /nfs/dbraw/zinc/97/75/85/1076977585.db2.gz HZICKOVLDYQKRS-UHFFFAOYSA-N 1 0 421.501 2.757 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](O)c2cccc(F)c2)cc1 ZINC000787890585 1076979563 /nfs/dbraw/zinc/97/95/63/1076979563.db2.gz PVIRMBSNIHDUKE-YWZLYKJASA-N 1 0 401.482 2.844 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000787892336 1076980355 /nfs/dbraw/zinc/98/03/55/1076980355.db2.gz XCRHHYUKMFPBMF-SQNIBIBYSA-N 1 0 407.605 2.963 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1)CCC2 ZINC000787893489 1076980889 /nfs/dbraw/zinc/98/08/89/1076980889.db2.gz GGMPKBVXHKXVMS-LJQANCHMSA-N 1 0 403.571 2.586 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)Cc3ccsc3C)cc2)CC1 ZINC000787863203 1076985759 /nfs/dbraw/zinc/98/57/59/1076985759.db2.gz LMHXCVLBYSOMLR-UHFFFAOYSA-N 1 0 401.532 2.923 20 0 HFADRO CCc1ccc(N2CCN(C(=O)C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000787904197 1076988591 /nfs/dbraw/zinc/98/85/91/1076988591.db2.gz PSBXNOZHDBZVTD-HXUWFJFHSA-N 1 0 414.594 2.668 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000787916668 1076994275 /nfs/dbraw/zinc/99/42/75/1076994275.db2.gz YIRGTSUOOCGTJR-DAYGRLMNSA-N 1 0 406.596 2.819 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000787894843 1077002920 /nfs/dbraw/zinc/00/29/20/1077002920.db2.gz CZOLBWXPLXWRCF-UHFFFAOYSA-N 1 0 413.440 2.837 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 ZINC000787897165 1077003424 /nfs/dbraw/zinc/00/34/24/1077003424.db2.gz WKLQUILFPQJCEF-UHFFFAOYSA-N 1 0 424.545 2.809 20 0 HFADRO C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000787960318 1077009368 /nfs/dbraw/zinc/00/93/68/1077009368.db2.gz HTTQJIGQQYNSBQ-IBGZPJMESA-N 1 0 409.530 2.842 20 0 HFADRO C[C@H](Cc1ccccc1F)NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787975335 1077015018 /nfs/dbraw/zinc/01/50/18/1077015018.db2.gz PEDILXADKRBWLH-KOSHJBKYSA-N 1 0 411.521 2.901 20 0 HFADRO C[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000787998994 1077024034 /nfs/dbraw/zinc/02/40/34/1077024034.db2.gz GWUGTJYFLAERPI-APWZRJJASA-N 1 0 402.539 2.808 20 0 HFADRO COc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1NC(=O)OC(C)(C)C ZINC000788036549 1077035838 /nfs/dbraw/zinc/03/58/38/1077035838.db2.gz JWUXEVHLKIUTGN-HUUCEWRRSA-N 1 0 422.526 2.961 20 0 HFADRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1N1CCOC1=O ZINC000746732393 1077073170 /nfs/dbraw/zinc/07/31/70/1077073170.db2.gz IDTHGIJEYVVXRS-SFHVURJKSA-N 1 0 402.495 2.717 20 0 HFADRO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000788259497 1077088176 /nfs/dbraw/zinc/08/81/76/1077088176.db2.gz WGWCVZGSCWPRSO-ROUUACIJSA-N 1 0 415.600 2.759 20 0 HFADRO COc1ccc([C@@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000788262956 1077088537 /nfs/dbraw/zinc/08/85/37/1077088537.db2.gz JAZYMKHBOJJPDN-YLJYHZDGSA-N 1 0 424.549 2.915 20 0 HFADRO Cc1sc(Br)nc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000788309044 1077093434 /nfs/dbraw/zinc/09/34/34/1077093434.db2.gz RHOWUJQIARCNEH-STQMWFEESA-N 1 0 402.358 2.712 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000788337552 1077107328 /nfs/dbraw/zinc/10/73/28/1077107328.db2.gz CCKBBKNIZFIAMA-RTBURBONSA-N 1 0 418.582 2.819 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000788341056 1077109175 /nfs/dbraw/zinc/10/91/75/1077109175.db2.gz NGSQQOVISWVVOR-KDURUIRLSA-N 1 0 416.566 2.573 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000788340796 1077109803 /nfs/dbraw/zinc/10/98/03/1077109803.db2.gz MOCQQLNMEJKHDI-UHFFFAOYSA-N 1 0 417.735 2.770 20 0 HFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Br)ncc1Cl ZINC000788310171 1077115792 /nfs/dbraw/zinc/11/57/92/1077115792.db2.gz VLDLWGVWGSWXCV-CQSZACIVSA-N 1 0 424.726 2.994 20 0 HFADRO CCCN(Cn1nc(-c2cnn(C)c2)ccc1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000788367963 1077128803 /nfs/dbraw/zinc/12/88/03/1077128803.db2.gz LQEIHLTYMBETEJ-JOCHJYFZSA-N 1 0 420.561 2.978 20 0 HFADRO Cn1cc(-c2ccc(=O)n(CN3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)n2)cn1 ZINC000788372873 1077131732 /nfs/dbraw/zinc/13/17/32/1077131732.db2.gz GQMALJSXMUCTDF-OFNKIYASSA-N 1 0 418.545 2.588 20 0 HFADRO Cn1cc(-c2ccc(=O)n(CN3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)n2)cn1 ZINC000788372871 1077131749 /nfs/dbraw/zinc/13/17/49/1077131749.db2.gz GQMALJSXMUCTDF-NFBKMPQASA-N 1 0 418.545 2.588 20 0 HFADRO Cc1nc(-c2ccc(Br)cc2Cl)nn1C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000788380566 1077136052 /nfs/dbraw/zinc/13/60/52/1077136052.db2.gz CPHPMERJXPBQIW-KRWDZBQOSA-N 1 0 424.730 2.839 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H]([NH2+]CCc2nnc3n2CCCCC3)C2CC2)C1 ZINC000788430250 1077144507 /nfs/dbraw/zinc/14/45/07/1077144507.db2.gz NXBAYKHINSQTJF-XLIONFOSSA-N 1 0 419.570 2.551 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CC3CCC4(CC3)OCCO4)nc2)CC1 ZINC000788453179 1077164200 /nfs/dbraw/zinc/16/42/00/1077164200.db2.gz LWUFCPKTMUBTRF-UHFFFAOYSA-N 1 0 402.539 2.874 20 0 HFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCc2ccc(Br)cc2F)c1 ZINC000788460439 1077167156 /nfs/dbraw/zinc/16/71/56/1077167156.db2.gz OAMCXNAZWLLSQN-UHFFFAOYSA-N 1 0 422.298 2.582 20 0 HFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476482 1077172546 /nfs/dbraw/zinc/17/25/46/1077172546.db2.gz QBTABQNWFIHBRS-RBUKOAKNSA-N 1 0 410.603 2.556 20 0 HFADRO O=C(NC1CC[NH+](CC2CC2)CC1)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000788481348 1077175206 /nfs/dbraw/zinc/17/52/06/1077175206.db2.gz BTGWTYVFRINGQC-UHFFFAOYSA-N 1 0 408.546 2.865 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788505059 1077184756 /nfs/dbraw/zinc/18/47/56/1077184756.db2.gz RGKHHXMJBHHACC-VYDXJSESSA-N 1 0 411.568 2.882 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788504435 1077185303 /nfs/dbraw/zinc/18/53/03/1077185303.db2.gz QFPJKMMBOUBJIN-QRVBRYPASA-N 1 0 405.539 2.820 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000788509567 1077186680 /nfs/dbraw/zinc/18/66/80/1077186680.db2.gz YWIKDWWKLNFBIT-IAGOWNOFSA-N 1 0 422.570 2.866 20 0 HFADRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCSC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000788525159 1077191216 /nfs/dbraw/zinc/19/12/16/1077191216.db2.gz BVVOOTGQWBQABZ-ZBFHGGJFSA-N 1 0 417.497 2.867 20 0 HFADRO CC[N@H+](CCNC(=O)C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(C)C ZINC000788483985 1077191928 /nfs/dbraw/zinc/19/19/28/1077191928.db2.gz GPXPZMAKONSJNY-RYUDHWBXSA-N 1 0 419.410 2.859 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCSC(F)(F)F)[C@H]1c1cccs1 ZINC000788543365 1077195361 /nfs/dbraw/zinc/19/53/61/1077195361.db2.gz UTOJPGWGLIIDEY-YPMHNXCESA-N 1 0 409.499 2.616 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000788564813 1077202068 /nfs/dbraw/zinc/20/20/68/1077202068.db2.gz TZGBTHISCCKFHN-JFIYKMOQSA-N 1 0 422.522 2.780 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@]4(CNC(=O)C4)C3)cc2Cl)CC1 ZINC000788577898 1077211436 /nfs/dbraw/zinc/21/14/36/1077211436.db2.gz RJHLCFRFAVGQKZ-OAQYLSRUSA-N 1 0 419.957 2.616 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788592242 1077215251 /nfs/dbraw/zinc/21/52/51/1077215251.db2.gz AYVYZXVMRBPQTR-IAGOWNOFSA-N 1 0 409.571 2.782 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000788592579 1077216179 /nfs/dbraw/zinc/21/61/79/1077216179.db2.gz LHNBJADQJGSWNS-IEBWSBKVSA-N 1 0 410.603 2.554 20 0 HFADRO CC[C@@H](CNS(=O)(=O)CCc1ccc(OC)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000788595306 1077216430 /nfs/dbraw/zinc/21/64/30/1077216430.db2.gz BTHCXAXBZJCHSY-NRFANRHFSA-N 1 0 402.560 2.994 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000788602467 1077220190 /nfs/dbraw/zinc/22/01/90/1077220190.db2.gz NTWVXJBTRSUIEO-HUUCEWRRSA-N 1 0 420.362 2.647 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000746751708 1077220470 /nfs/dbraw/zinc/22/04/70/1077220470.db2.gz UTSRAWYNHZMQLW-SFHVURJKSA-N 1 0 412.575 2.528 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1Cl ZINC000788653188 1077227158 /nfs/dbraw/zinc/22/71/58/1077227158.db2.gz QHEGBIXOPHOVIF-VXGBXAGGSA-N 1 0 406.957 2.601 20 0 HFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)CC1 ZINC000788618978 1077230596 /nfs/dbraw/zinc/23/05/96/1077230596.db2.gz CDWKLJMNZGTBDL-MTNREXPMSA-N 1 0 404.551 2.915 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)=NO1 ZINC000788620407 1077230806 /nfs/dbraw/zinc/23/08/06/1077230806.db2.gz DXWQMDLAMWEFQT-DOTOQJQBSA-N 1 0 420.510 2.592 20 0 HFADRO CCC[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788625814 1077234769 /nfs/dbraw/zinc/23/47/69/1077234769.db2.gz UEBXVQBTDVFVGU-PMACEKPBSA-N 1 0 410.518 2.569 20 0 HFADRO COc1ccccc1[C@H](O)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000790928442 1077235858 /nfs/dbraw/zinc/23/58/58/1077235858.db2.gz WXQJGLITPDEGJH-OAQYLSRUSA-N 1 0 413.518 2.701 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@@H]1C ZINC000788635435 1077240904 /nfs/dbraw/zinc/24/09/04/1077240904.db2.gz YJAIYKAHGLQWID-CMPLNLGQSA-N 1 0 408.973 2.990 20 0 HFADRO Clc1ccc2c(n1)[C@H]([NH2+][C@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)CC2 ZINC000788637949 1077242177 /nfs/dbraw/zinc/24/21/77/1077242177.db2.gz CUHHGESKRYUUQD-DLBZAZTESA-N 1 0 414.941 2.608 20 0 HFADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788643193 1077244837 /nfs/dbraw/zinc/24/48/37/1077244837.db2.gz OETKIJNLYGOANF-WMZOPIPTSA-N 1 0 421.950 2.969 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)C2=O)c(C)c1 ZINC000788677390 1077246398 /nfs/dbraw/zinc/24/63/98/1077246398.db2.gz BFSASAVGMKQQDJ-HXUWFJFHSA-N 1 0 415.559 2.757 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1Cl ZINC000788677681 1077247326 /nfs/dbraw/zinc/24/73/26/1077247326.db2.gz VYUCHYFMQROOFI-MNOVXSKESA-N 1 0 408.973 2.895 20 0 HFADRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788681880 1077249265 /nfs/dbraw/zinc/24/92/65/1077249265.db2.gz ZRPLPDUUXMERLH-WBVHZDCISA-N 1 0 411.568 2.815 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cnn(C)c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788685409 1077250204 /nfs/dbraw/zinc/25/02/04/1077250204.db2.gz INSCBTKEFFBNEZ-INIZCTEOSA-N 1 0 408.543 2.787 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)C[C@H]1C ZINC000790946885 1077251701 /nfs/dbraw/zinc/25/17/01/1077251701.db2.gz SPFMWGLJFJBLFO-DCXXXQMHSA-N 1 0 416.566 2.570 20 0 HFADRO CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788691602 1077253011 /nfs/dbraw/zinc/25/30/11/1077253011.db2.gz ZDDYLGXSCFSTLR-RTWAWAEBSA-N 1 0 412.509 2.871 20 0 HFADRO O=C(COC(=O)c1ccc(OCc2cccnc2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000746953510 1077255536 /nfs/dbraw/zinc/25/55/36/1077255536.db2.gz GAQIUINILRJFNI-UHFFFAOYSA-N 1 0 409.486 2.560 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000790973016 1077267948 /nfs/dbraw/zinc/26/79/48/1077267948.db2.gz DNGFJYNSHDNWIW-QGZVFWFLSA-N 1 0 403.914 2.701 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000790975598 1077268226 /nfs/dbraw/zinc/26/82/26/1077268226.db2.gz RGRWNZVOYMUDEF-KRWDZBQOSA-N 1 0 408.493 2.740 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCSC3)cc2Cl)CC1 ZINC000790975980 1077268699 /nfs/dbraw/zinc/26/86/99/1077268699.db2.gz WPFHOFKEHPXSDP-HNNXBMFYSA-N 1 0 424.998 2.680 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001170147613 1077276250 /nfs/dbraw/zinc/27/62/50/1077276250.db2.gz ADGKQLZZUHWRIC-ACJLOTCBSA-N 1 0 422.444 2.582 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000791058647 1077285388 /nfs/dbraw/zinc/28/53/88/1077285388.db2.gz CPSIGWHIIULDAS-QGZVFWFLSA-N 1 0 417.579 2.869 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058733 1077285420 /nfs/dbraw/zinc/28/54/20/1077285420.db2.gz FIFQIAXBGRETMV-QAPCUYQASA-N 1 0 419.570 2.984 20 0 HFADRO CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788748521 1077288768 /nfs/dbraw/zinc/28/87/68/1077288768.db2.gz UJWYWUHCHFJZGQ-FCHUYYIVSA-N 1 0 408.546 2.602 20 0 HFADRO CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788748714 1077289788 /nfs/dbraw/zinc/28/97/88/1077289788.db2.gz YWWKJEPVCCOLDE-SFTDATJTSA-N 1 0 412.509 2.871 20 0 HFADRO C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788807326 1077293812 /nfs/dbraw/zinc/29/38/12/1077293812.db2.gz UBIZQJZEKSGSLW-XHDPSFHLSA-N 1 0 412.328 2.821 20 0 HFADRO CCOC(=O)c1ccnc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)n1 ZINC001170148676 1077300732 /nfs/dbraw/zinc/30/07/32/1077300732.db2.gz PHLLXXGDQUIQMA-UHFFFAOYSA-N 1 0 405.462 2.563 20 0 HFADRO COc1nc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)cn2ccnc12 ZINC001170148877 1077304187 /nfs/dbraw/zinc/30/41/87/1077304187.db2.gz INXCZYVATILIGO-UHFFFAOYSA-N 1 0 402.462 2.647 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)CCN1C(=O)OC(C)(C)C ZINC000788814696 1077306343 /nfs/dbraw/zinc/30/63/43/1077306343.db2.gz AAZRYQOXVVHLHV-SJLPKXTDSA-N 1 0 402.495 2.636 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788814726 1077306492 /nfs/dbraw/zinc/30/64/92/1077306492.db2.gz UDYNBDKOSHBWPT-RTWAWAEBSA-N 1 0 400.567 2.797 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(C)nn2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788819444 1077307574 /nfs/dbraw/zinc/30/75/74/1077307574.db2.gz RVYCZJMWQPJUNV-MRXNPFEDSA-N 1 0 408.543 2.787 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H]2CCc3ccccc3OC2)CCN1C(=O)OC(C)(C)C ZINC000788825349 1077310949 /nfs/dbraw/zinc/31/09/49/1077310949.db2.gz YSCPWUJTULCXKQ-SCTDSRPQSA-N 1 0 404.507 2.911 20 0 HFADRO COCC1(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788826542 1077311131 /nfs/dbraw/zinc/31/11/31/1077311131.db2.gz FDISIJMLVGAXLL-DLBZAZTESA-N 1 0 418.600 2.596 20 0 HFADRO Cn1cc(C(=O)NCC2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)cn1 ZINC000788844078 1077317913 /nfs/dbraw/zinc/31/79/13/1077317913.db2.gz UNHLDJBTZXTLFM-UHFFFAOYSA-N 1 0 421.586 2.898 20 0 HFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791169140 1077325617 /nfs/dbraw/zinc/32/56/17/1077325617.db2.gz SHLBEDKSVAXVFN-UHFFFAOYSA-N 1 0 412.509 2.803 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)c3ncnn3C)cc2Cl)CC1 ZINC000788883795 1077329876 /nfs/dbraw/zinc/32/98/76/1077329876.db2.gz CTNCGQMYAGVBLH-CQSZACIVSA-N 1 0 405.934 2.883 20 0 HFADRO COc1ccc2ncnc(N(CC[NH3+])c3nc4ccc(C)cc4n4c(C)cnc34)c2n1 ZINC001170150878 1077333616 /nfs/dbraw/zinc/33/36/16/1077333616.db2.gz MZCMUPNWCOZPIR-UHFFFAOYSA-N 1 0 414.473 2.943 20 0 HFADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000788855584 1077334398 /nfs/dbraw/zinc/33/43/98/1077334398.db2.gz UKFAJCHXHNACHG-UHFFFAOYSA-N 1 0 423.989 2.561 20 0 HFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788925179 1077337950 /nfs/dbraw/zinc/33/79/50/1077337950.db2.gz CULINJIGOYHMPW-VQIMIIECSA-N 1 0 414.550 2.980 20 0 HFADRO Cc1c(Cl)c(C(=O)NCCCC[NH+]2CCC(C)CC2)sc1S(N)(=O)=O ZINC000791208568 1077344202 /nfs/dbraw/zinc/34/42/02/1077344202.db2.gz KEZMAEBPINUWQZ-UHFFFAOYSA-N 1 0 407.989 2.599 20 0 HFADRO CCOC(=O)c1ncc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)cn1 ZINC001170151348 1077355562 /nfs/dbraw/zinc/35/55/62/1077355562.db2.gz ZGQKWQZBAQXYFS-UHFFFAOYSA-N 1 0 405.462 2.563 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788946120 1077356734 /nfs/dbraw/zinc/35/67/34/1077356734.db2.gz GQMCQIOBMGSIKB-LJQANCHMSA-N 1 0 423.598 2.840 20 0 HFADRO CNC(=S)Nc1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)nc1 ZINC001170152693 1077367689 /nfs/dbraw/zinc/36/76/89/1077367689.db2.gz WKCQRKJXURSFCP-UHFFFAOYSA-N 1 0 420.546 2.907 20 0 HFADRO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)c3cccc(S(N)(=O)=O)c3)C2=O)c(C)c1 ZINC000788984718 1077373982 /nfs/dbraw/zinc/37/39/82/1077373982.db2.gz SVMIZVDOIANTNS-LPHOPBHVSA-N 1 0 401.532 2.715 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1)CC(C)C ZINC000746781889 1077378156 /nfs/dbraw/zinc/37/81/56/1077378156.db2.gz NMTNWFUQLNQMCH-GOSISDBHSA-N 1 0 418.538 2.763 20 0 HFADRO COc1ccc([C@@H](CNC(=O)COC(=O)c2cccnc2F)[NH+]2CCCCC2)cc1 ZINC000789003764 1077378211 /nfs/dbraw/zinc/37/82/11/1077378211.db2.gz SFIVPELVUCYZNG-LJQANCHMSA-N 1 0 415.465 2.730 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)cc1N1CCOC1=O ZINC000746778671 1077378236 /nfs/dbraw/zinc/37/82/36/1077378236.db2.gz PAMVTLQOPSIDTG-UHFFFAOYSA-N 1 0 416.522 2.661 20 0 HFADRO CN(CCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)C(=O)OC(C)(C)C ZINC000791347747 1077383927 /nfs/dbraw/zinc/38/39/27/1077383927.db2.gz NRFCZBYAHBSSSG-UHFFFAOYSA-N 1 0 415.538 2.708 20 0 HFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(Br)[nH]n1 ZINC000791374619 1077386165 /nfs/dbraw/zinc/38/61/65/1077386165.db2.gz MAZCMTFZTFPNJP-UHFFFAOYSA-N 1 0 408.300 2.575 20 0 HFADRO Cc1c(Cl)c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)sc1S(N)(=O)=O ZINC000791393076 1077397531 /nfs/dbraw/zinc/39/75/31/1077397531.db2.gz QZAVQWFXVZIITH-UHFFFAOYSA-N 1 0 420.000 2.742 20 0 HFADRO Cn1cc([C@H]2CSCCN2C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000791393524 1077397745 /nfs/dbraw/zinc/39/77/45/1077397745.db2.gz YXVHFPZTOGQYCO-QKWWCAPFSA-N 1 0 400.548 2.690 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000747012798 1077407171 /nfs/dbraw/zinc/40/71/71/1077407171.db2.gz JRSUTIPSCMEFGR-UHFFFAOYSA-N 1 0 412.534 2.790 20 0 HFADRO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000746788458 1077408480 /nfs/dbraw/zinc/40/84/80/1077408480.db2.gz RIZSCXMEIXTBCD-FLIBITNWSA-N 1 0 401.507 2.581 20 0 HFADRO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000746788153 1077411990 /nfs/dbraw/zinc/41/19/90/1077411990.db2.gz NLPDFBFFTNKAGT-UHFFFAOYSA-N 1 0 417.550 2.656 20 0 HFADRO CC(C)[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H](O)c1ccccc1 ZINC000789146468 1077434102 /nfs/dbraw/zinc/43/41/02/1077434102.db2.gz ZUXZSTIGDYDPJF-NHCUHLMSSA-N 1 0 400.523 2.579 20 0 HFADRO C[C@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791475966 1077446666 /nfs/dbraw/zinc/44/66/66/1077446666.db2.gz RMHMQCGUMWLZRD-XJKSGUPXSA-N 1 0 419.884 2.997 20 0 HFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=S)NCCc2ccc(F)cc2)CC1 ZINC000789188374 1077452542 /nfs/dbraw/zinc/45/25/42/1077452542.db2.gz ICPPCUJPWIQHPD-UHFFFAOYSA-N 1 0 422.614 2.803 20 0 HFADRO Cc1c(Br)cccc1CC(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000791504003 1077463588 /nfs/dbraw/zinc/46/35/88/1077463588.db2.gz CXHXTOOISADGRV-UHFFFAOYSA-N 1 0 411.340 2.832 20 0 HFADRO C[C@@H](OC(=O)[C@@H]1CCC(=O)c2cccn21)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000789227027 1077483209 /nfs/dbraw/zinc/48/32/09/1077483209.db2.gz JVYAMCGBNNEAHI-UTKZUKDTSA-N 1 0 423.513 2.718 20 0 HFADRO OC1CC[NH+](Cc2ccc(CNC(=S)NCCc3ccc(F)cc3)cc2)CC1 ZINC000789235379 1077486489 /nfs/dbraw/zinc/48/64/89/1077486489.db2.gz XDZIUHQFFRPJLW-UHFFFAOYSA-N 1 0 401.551 2.989 20 0 HFADRO O=C(CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000791623389 1077490841 /nfs/dbraw/zinc/49/08/41/1077490841.db2.gz UJZMOKDAPJHATC-BGYRXZFFSA-N 1 0 418.541 2.581 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nc(Br)ccc2F)[C@@H](C)C1 ZINC000791595763 1077497339 /nfs/dbraw/zinc/49/73/39/1077497339.db2.gz XWWNCPWFRMWYAN-JSGCOSHPSA-N 1 0 402.308 2.850 20 0 HFADRO Cc1ncccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600116 1077500907 /nfs/dbraw/zinc/50/09/07/1077500907.db2.gz AQXAZYXWUBPYHN-RBKMHILSSA-N 1 0 403.526 2.898 20 0 HFADRO Cc1cccnc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600232 1077506160 /nfs/dbraw/zinc/50/61/60/1077506160.db2.gz INLZCUOAQULFRZ-IEUDBEKPSA-N 1 0 403.526 2.898 20 0 HFADRO CCc1nocc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600517 1077506858 /nfs/dbraw/zinc/50/68/58/1077506858.db2.gz YDBSKKVFCXJHFO-ITVBJSIGSA-N 1 0 407.514 2.745 20 0 HFADRO C[C@@H]1CN(C(=O)C[N@H+](CCCNC(=O)OC(C)(C)C)Cc2ccccc2)CCO1 ZINC000791646608 1077510158 /nfs/dbraw/zinc/51/01/58/1077510158.db2.gz CQFRMRIVSUACNF-GOSISDBHSA-N 1 0 405.539 2.651 20 0 HFADRO CCOc1nc(C)ccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791647602 1077510478 /nfs/dbraw/zinc/51/04/78/1077510478.db2.gz HEPAEJQRFLVJLJ-IEBWSBKVSA-N 1 0 411.502 2.725 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cn3)C2)c1 ZINC000791648223 1077510831 /nfs/dbraw/zinc/51/08/31/1077510831.db2.gz RNCMVHBRTBKVQJ-OAQYLSRUSA-N 1 0 423.517 2.752 20 0 HFADRO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000789335961 1077526671 /nfs/dbraw/zinc/52/66/71/1077526671.db2.gz ILEBBXPMBCWLLU-UHFFFAOYSA-N 1 0 403.479 2.910 20 0 HFADRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000789392860 1077535240 /nfs/dbraw/zinc/53/52/40/1077535240.db2.gz HXVLRKBKDOWIAU-UHFFFAOYSA-O 1 0 424.506 2.760 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2nc(NCc3ccco3)ncc2Cl)CC1 ZINC000791715652 1077536712 /nfs/dbraw/zinc/53/67/12/1077536712.db2.gz BYROWZQVTGGOLU-UHFFFAOYSA-N 1 0 421.929 2.908 20 0 HFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 ZINC000746803083 1077543082 /nfs/dbraw/zinc/54/30/82/1077543082.db2.gz LLYXIQWADKEIMI-INIZCTEOSA-N 1 0 420.504 2.694 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000746803934 1077548548 /nfs/dbraw/zinc/54/85/48/1077548548.db2.gz QKYJMUJOMORXAI-KDURUIRLSA-N 1 0 418.582 2.864 20 0 HFADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C12CCCC2 ZINC001170105656 1077553267 /nfs/dbraw/zinc/55/32/67/1077553267.db2.gz RCAGHSJBCBONSG-RTBURBONSA-N 1 0 406.523 2.656 20 0 HFADRO CCOC(=O)Nc1ccc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1 ZINC000746805985 1077556250 /nfs/dbraw/zinc/55/62/50/1077556250.db2.gz MZNATUHPMXIXEH-UHFFFAOYSA-N 1 0 412.446 2.977 20 0 HFADRO Cc1ccc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCCCN(C)c2ccccc2)c1 ZINC000789402787 1077560514 /nfs/dbraw/zinc/56/05/14/1077560514.db2.gz QXCLQXZATKEMHB-UHFFFAOYSA-O 1 0 423.566 2.738 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(-n4ccnc4)cc3)cccc21 ZINC000789402799 1077560542 /nfs/dbraw/zinc/56/05/42/1077560542.db2.gz JFJIVIMYMZHAGV-FQEVSTJZSA-N 1 0 419.485 2.512 20 0 HFADRO Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@@H]2CCOc3ccccc32)cc1 ZINC000789403083 1077560625 /nfs/dbraw/zinc/56/06/25/1077560625.db2.gz KVORRMBQAKPKGZ-MRXNPFEDSA-O 1 0 408.507 2.736 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000789405855 1077562721 /nfs/dbraw/zinc/56/27/21/1077562721.db2.gz SYHKBIGZAFLEQI-UHFFFAOYSA-N 1 0 410.852 2.851 20 0 HFADRO Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791821836 1077564959 /nfs/dbraw/zinc/56/49/59/1077564959.db2.gz FKRVWICLZVEQLZ-ODLJZMMESA-N 1 0 402.502 2.618 20 0 HFADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791821841 1077564974 /nfs/dbraw/zinc/56/49/74/1077564974.db2.gz FKRVWICLZVEQLZ-XOWGOQOESA-N 1 0 402.502 2.618 20 0 HFADRO CC(C)(C)OC(=O)N1CC(OCCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000791825557 1077574638 /nfs/dbraw/zinc/57/46/38/1077574638.db2.gz BFTZIRWDUVSQPH-IBGZPJMESA-N 1 0 417.550 2.651 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000791825407 1077574685 /nfs/dbraw/zinc/57/46/85/1077574685.db2.gz NJDNEWYUHSXBGN-UHFFFAOYSA-N 1 0 407.599 2.811 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1C ZINC000746814471 1077575759 /nfs/dbraw/zinc/57/57/59/1077575759.db2.gz USIRCRHJYRCWBX-IBGZPJMESA-N 1 0 416.909 2.964 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000791828655 1077576842 /nfs/dbraw/zinc/57/68/42/1077576842.db2.gz NQIFYMKIXKRWPP-GOSISDBHSA-N 1 0 406.461 2.624 20 0 HFADRO CC(=O)[C@@H]1CC(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)=NN1c1ccccc1 ZINC000791828718 1077576959 /nfs/dbraw/zinc/57/69/59/1077576959.db2.gz OVAKAEZJDAJISY-OFNKIYASSA-N 1 0 404.514 2.849 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815802 1077583755 /nfs/dbraw/zinc/58/37/55/1077583755.db2.gz NLOQOSQZVBSOEM-HKUYNNGSSA-N 1 0 407.942 2.713 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000789491859 1077593489 /nfs/dbraw/zinc/59/34/89/1077593489.db2.gz MJMXONANVBEQGT-UHFFFAOYSA-N 1 0 416.909 2.773 20 0 HFADRO O=C(NCc1ccc(-n2ccnc2)nc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792005290 1077645246 /nfs/dbraw/zinc/64/52/46/1077645246.db2.gz IPQDYBOUTVVPQY-OYRHEFFESA-N 1 0 402.502 2.541 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](c3cccs3)[NH+](C)C)C2)c1 ZINC000792031144 1077658893 /nfs/dbraw/zinc/65/88/93/1077658893.db2.gz VNSTWBAFXKJTHD-WMZOPIPTSA-N 1 0 403.504 2.677 20 0 HFADRO O=C(NCc1ccnc(-n2ccnc2)c1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792059619 1077665484 /nfs/dbraw/zinc/66/54/84/1077665484.db2.gz GMSLUHBXBUURLR-UHFFFAOYSA-N 1 0 422.455 2.872 20 0 HFADRO CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746830502 1077673159 /nfs/dbraw/zinc/67/31/59/1077673159.db2.gz VEPQXZJZPDTDFM-KRWDZBQOSA-N 1 0 411.502 2.914 20 0 HFADRO Cc1ccc(Cn2cc(C[NH2+]C[C@@H]3CC(C(N)=O)=NO3)c(-c3ccc(C)cc3)n2)cc1 ZINC000789557483 1077676047 /nfs/dbraw/zinc/67/60/47/1077676047.db2.gz IXSRLHNHBVWISJ-NRFANRHFSA-N 1 0 417.513 2.935 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000792067921 1077676372 /nfs/dbraw/zinc/67/63/72/1077676372.db2.gz HHGQJEIUXNYMCF-JOCHJYFZSA-N 1 0 404.551 2.883 20 0 HFADRO C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)OCCC[NH+](C)C)C[C@H](C)O1 ZINC000792034984 1077687132 /nfs/dbraw/zinc/68/71/32/1077687132.db2.gz DKARVUYQQJCVCQ-IYBDPMFKSA-N 1 0 418.563 2.830 20 0 HFADRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@@H](C)O1 ZINC000792036821 1077687547 /nfs/dbraw/zinc/68/75/47/1077687547.db2.gz YCWLVLUETXIEOU-HZPDHXFCSA-N 1 0 406.527 2.587 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792046927 1077693123 /nfs/dbraw/zinc/69/31/23/1077693123.db2.gz RAVKYRBPUYNQKG-SZPZYZBQSA-N 1 0 416.529 2.849 20 0 HFADRO CCC[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000792048330 1077693716 /nfs/dbraw/zinc/69/37/16/1077693716.db2.gz JIPSXMLMKNSLMJ-RTWAWAEBSA-N 1 0 411.550 2.535 20 0 HFADRO Cc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000792108178 1077700384 /nfs/dbraw/zinc/70/03/84/1077700384.db2.gz SNOUDROJMODJJC-IRLDBZIGSA-N 1 0 406.530 2.922 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000772741559 1077706235 /nfs/dbraw/zinc/70/62/35/1077706235.db2.gz INVUEBKDMJIECW-NRFANRHFSA-N 1 0 414.550 2.727 20 0 HFADRO O=C(NCc1cn(-c2ccccc2)nn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792128919 1077715882 /nfs/dbraw/zinc/71/58/82/1077715882.db2.gz HCKBMFFOMAHISL-BGYRXZFFSA-N 1 0 402.502 2.541 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CC1 ZINC000792128506 1077715898 /nfs/dbraw/zinc/71/58/98/1077715898.db2.gz DOYKMOJYFJNYRF-ACRUOGEOSA-N 1 0 415.582 2.573 20 0 HFADRO C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000792143363 1077721233 /nfs/dbraw/zinc/72/12/33/1077721233.db2.gz LOQGBHRERNXRJQ-HOTGVXAUSA-N 1 0 405.543 2.819 20 0 HFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000792143365 1077721317 /nfs/dbraw/zinc/72/13/17/1077721317.db2.gz LOQGBHRERNXRJQ-JKSUJKDBSA-N 1 0 405.543 2.819 20 0 HFADRO C[NH+](C)C1(CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CCOCC1 ZINC000792176758 1077735136 /nfs/dbraw/zinc/73/51/36/1077735136.db2.gz YMJCUUNSRBXIRD-GOSISDBHSA-N 1 0 423.529 2.661 20 0 HFADRO Cc1ccc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)c(C[NH+](C)C)c1 ZINC000792176501 1077735180 /nfs/dbraw/zinc/73/51/80/1077735180.db2.gz UIINWBFQZDWUQM-UHFFFAOYSA-N 1 0 404.555 2.938 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccc(F)c(C[NH+](C)C)c3)C2)c1 ZINC000792180518 1077736534 /nfs/dbraw/zinc/73/65/34/1077736534.db2.gz UXCFBJCAHIWGAP-OAQYLSRUSA-N 1 0 415.465 2.714 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000792226263 1077751804 /nfs/dbraw/zinc/75/18/04/1077751804.db2.gz PKQOQDCLDXUODO-ACRUOGEOSA-N 1 0 413.518 2.636 20 0 HFADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000746847958 1077754997 /nfs/dbraw/zinc/75/49/97/1077754997.db2.gz PGHIMPSKCRLGHW-OWCLPIDISA-N 1 0 411.543 2.601 20 0 HFADRO COc1ccc(OC)c([C@@H](O)CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000792233608 1077756609 /nfs/dbraw/zinc/75/66/09/1077756609.db2.gz PHXBLWTTXGKPOM-RXVVDRJESA-N 1 0 413.518 2.559 20 0 HFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000792235178 1077757836 /nfs/dbraw/zinc/75/78/36/1077757836.db2.gz LRKCAFVMGJYWCZ-CQSZACIVSA-N 1 0 415.925 2.553 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)Nc1cccc3c1OCC[C@@H]3[NH+](C)C)CCC2 ZINC000789722519 1077759768 /nfs/dbraw/zinc/75/97/68/1077759768.db2.gz LSXUXCYNYIITGV-IRXDYDNUSA-N 1 0 414.531 2.969 20 0 HFADRO O=C(NC[C@]1(O)CCc2ccccc21)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792278198 1077772985 /nfs/dbraw/zinc/77/29/85/1077772985.db2.gz UWOWKPOASJMCTB-LBXVMSDZSA-N 1 0 411.468 2.925 20 0 HFADRO Cc1cc2n[nH]cc2cc1NC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000792293464 1077778632 /nfs/dbraw/zinc/77/86/32/1077778632.db2.gz XLYXDIKHBZFZHW-UHFFFAOYSA-N 1 0 420.517 2.979 20 0 HFADRO C[C@@H](CNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC000792252284 1077780136 /nfs/dbraw/zinc/78/01/36/1077780136.db2.gz PHDCMWCGYLFUDQ-KRWDZBQOSA-N 1 0 419.570 2.643 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000792253768 1077780744 /nfs/dbraw/zinc/78/07/44/1077780744.db2.gz VMMXKBCBBPRGSY-QGZVFWFLSA-N 1 0 420.554 2.826 20 0 HFADRO C[C@@H](OC(=O)c1cnc2n1CCCC2)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792257339 1077783237 /nfs/dbraw/zinc/78/32/37/1077783237.db2.gz CSPBBIBMVYILTB-QGZVFWFLSA-N 1 0 410.518 2.546 20 0 HFADRO C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260969 1077784085 /nfs/dbraw/zinc/78/40/85/1077784085.db2.gz RDRGMCXVRUCMDQ-QYZOEREBSA-N 1 0 404.551 2.744 20 0 HFADRO CC[C@H](C)[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792260152 1077784642 /nfs/dbraw/zinc/78/46/42/1077784642.db2.gz NDDURUQEAGEJCY-HAGHYFMRSA-N 1 0 418.578 2.990 20 0 HFADRO C[C@@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCCC2=O)cc1 ZINC000792276272 1077791755 /nfs/dbraw/zinc/79/17/55/1077791755.db2.gz HWHMZAPXBWFBBQ-GOSISDBHSA-N 1 0 415.559 2.926 20 0 HFADRO CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792330199 1077792616 /nfs/dbraw/zinc/79/26/16/1077792616.db2.gz CTYOGDXUFOQWPS-KRWDZBQOSA-N 1 0 424.586 2.970 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000792294110 1077792775 /nfs/dbraw/zinc/79/27/75/1077792775.db2.gz FWDLTQLCAFUZFZ-DEOSSOPVSA-N 1 0 410.562 2.650 20 0 HFADRO CCn1ccc(CN(C)C(=O)C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000792302591 1077796717 /nfs/dbraw/zinc/79/67/17/1077796717.db2.gz SKEGRKOWXOHPSL-UHFFFAOYSA-N 1 0 411.550 2.636 20 0 HFADRO CCn1cc([C@@H](O)C[N@H+](CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cn1 ZINC000792366106 1077817237 /nfs/dbraw/zinc/81/72/37/1077817237.db2.gz QWAJGFWJNAJCBO-QFIPXVFZSA-N 1 0 418.497 2.735 20 0 HFADRO CSc1nc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc(N2CCCC2)n1 ZINC001170165643 1077821084 /nfs/dbraw/zinc/82/10/84/1077821084.db2.gz BIUYXVMFKKZMTH-UHFFFAOYSA-N 1 0 413.551 2.667 20 0 HFADRO C[C@@H]1CN(C(=O)C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)C[C@@H](C)O1 ZINC000792331596 1077821701 /nfs/dbraw/zinc/82/17/01/1077821701.db2.gz GOGYKEKMRFKKAB-QZTJIDSGSA-N 1 0 409.571 2.735 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC1(CS(C)(=O)=O)CC1)CC2 ZINC000792331205 1077821746 /nfs/dbraw/zinc/82/17/46/1077821746.db2.gz DIXCGTTZLNZORF-UHFFFAOYSA-N 1 0 400.585 2.924 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789815481 1077824116 /nfs/dbraw/zinc/82/41/16/1077824116.db2.gz DGVQVMLYWJAJFS-GOSISDBHSA-N 1 0 403.523 2.539 20 0 HFADRO CN(C)c1c(Cl)nnc(Cl)c1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170165810 1077833437 /nfs/dbraw/zinc/83/34/37/1077833437.db2.gz HYIKQMWRJXPAAV-UHFFFAOYSA-N 1 0 410.309 2.718 20 0 HFADRO CC(C)(C)OC(=O)Nc1ncc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cn1 ZINC001170166046 1077843419 /nfs/dbraw/zinc/84/34/19/1077843419.db2.gz DNWBJUASBXSLMY-UHFFFAOYSA-N 1 0 413.482 2.692 20 0 HFADRO Nn1c(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1[C@@H]1CCCCO1 ZINC000789921552 1077848297 /nfs/dbraw/zinc/84/82/97/1077848297.db2.gz LNKRAWOAISVJDU-ROUUACIJSA-N 1 0 403.552 2.617 20 0 HFADRO COC(=O)c1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)ccc1OC(F)F ZINC001170166456 1077849411 /nfs/dbraw/zinc/84/94/11/1077849411.db2.gz KDDBJRAIBRLJKM-UHFFFAOYSA-N 1 0 420.416 2.943 20 0 HFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1nc(Br)cs1 ZINC000792441376 1077851998 /nfs/dbraw/zinc/85/19/98/1077851998.db2.gz PGLHFJASMMOSMK-CQSZACIVSA-N 1 0 410.337 2.792 20 0 HFADRO CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000746864718 1077862545 /nfs/dbraw/zinc/86/25/45/1077862545.db2.gz HEXGPCXRDUPCFI-RRFNBQSRSA-N 1 0 418.541 2.969 20 0 HFADRO C[C@H](CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)NC(=O)OC(C)(C)C ZINC000792511791 1077880309 /nfs/dbraw/zinc/88/03/09/1077880309.db2.gz LTVKTVLNTFUPCQ-MRXNPFEDSA-N 1 0 405.539 2.534 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000789993149 1077893607 /nfs/dbraw/zinc/89/36/07/1077893607.db2.gz SHZKRPKMCDFPCL-RNQOJCNYSA-N 1 0 410.518 2.567 20 0 HFADRO CCOC(=O)N1CCC[C@@H](C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792555914 1077902227 /nfs/dbraw/zinc/90/22/27/1077902227.db2.gz PLHYGNVTFUWARN-IUDNXUCKSA-N 1 0 405.461 2.776 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000790031156 1077903615 /nfs/dbraw/zinc/90/36/15/1077903615.db2.gz FHYUWJQBHBMCJT-PMACEKPBSA-N 1 0 414.594 2.572 20 0 HFADRO C[N@H+](CCN1CCN(CN2CC[C@](C)(c3ccccc3)C2=O)CC1)Cc1ccccc1 ZINC000780428703 1077903647 /nfs/dbraw/zinc/90/36/47/1077903647.db2.gz HQMNTBRFANFDIY-AREMUKBSSA-N 1 0 420.601 2.884 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(-c2cscn2)cc1 ZINC000790033864 1077905785 /nfs/dbraw/zinc/90/57/85/1077905785.db2.gz YYXBAYXOHBWMND-UHFFFAOYSA-N 1 0 406.533 2.953 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)CCO1 ZINC001170206765 1077906114 /nfs/dbraw/zinc/90/61/14/1077906114.db2.gz ARKJACYDCABJIE-WOIUINJBSA-N 1 0 400.523 2.609 20 0 HFADRO COc1ccc([C@H]2CCCN2C(=O)COC(=O)c2ccc3c[nH+]cn3c2)c(OC)c1 ZINC000792566537 1077906269 /nfs/dbraw/zinc/90/62/69/1077906269.db2.gz XLCYCFRAPGRPTH-LJQANCHMSA-N 1 0 409.442 2.872 20 0 HFADRO CC[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CCO1 ZINC001170207210 1077906564 /nfs/dbraw/zinc/90/65/64/1077906564.db2.gz KGOSOPFFSIBLGA-VEXSNRMASA-N 1 0 422.566 2.922 20 0 HFADRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790038482 1077907237 /nfs/dbraw/zinc/90/72/37/1077907237.db2.gz IXRIXASRVFQFBU-NVXWUHKLSA-N 1 0 411.568 2.672 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc2c(c1)OC(C)(C)CC2=O ZINC000790013784 1077912877 /nfs/dbraw/zinc/91/28/77/1077912877.db2.gz FFCDSMZEFJRODN-UHFFFAOYSA-N 1 0 421.519 2.573 20 0 HFADRO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001170237376 1077914301 /nfs/dbraw/zinc/91/43/01/1077914301.db2.gz BRAIUVSTRWWZGB-MMTROXRISA-N 1 0 422.570 2.815 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc(O[C@@H]3CCCCNC3=O)cc2)cc1 ZINC000790019155 1077915562 /nfs/dbraw/zinc/91/55/62/1077915562.db2.gz RIAUFVZCNNRNBV-HXUWFJFHSA-N 1 0 418.515 2.563 20 0 HFADRO CS(=O)(=O)Nc1ccc(/C=C/C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000746872704 1077919632 /nfs/dbraw/zinc/91/96/32/1077919632.db2.gz XNEOEHSVRLJMFI-FMIVXFBMSA-N 1 0 405.564 2.985 20 0 HFADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC(=O)Nc1nnc(CC(C)C)s1 ZINC001170264541 1077921128 /nfs/dbraw/zinc/92/11/28/1077921128.db2.gz PXFONPICROTLQN-GDBMZVCRSA-N 1 0 404.536 2.685 20 0 HFADRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2ccn(C)n2)cc1 ZINC001170269241 1077923210 /nfs/dbraw/zinc/92/32/10/1077923210.db2.gz NSFGYGIWOVBUTR-UHFFFAOYSA-N 1 0 401.467 2.699 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001170275619 1077926516 /nfs/dbraw/zinc/92/65/16/1077926516.db2.gz HXQUEMBEQDKGBF-PKOBYXMFSA-N 1 0 406.954 2.858 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001170286348 1077938104 /nfs/dbraw/zinc/93/81/04/1077938104.db2.gz XQGODIBAUBBNPP-LDBRAYGESA-N 1 0 416.953 2.771 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000790110671 1077940304 /nfs/dbraw/zinc/94/03/04/1077940304.db2.gz OKCNHKBYTGQEEK-UHFFFAOYSA-N 1 0 420.460 2.685 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)CNC(=O)c1cccc(O)c1)c1cccc(C(F)(F)F)c1 ZINC001170320316 1077942318 /nfs/dbraw/zinc/94/23/18/1077942318.db2.gz JNYQPGUTYDNBRQ-QGZVFWFLSA-N 1 0 409.408 2.560 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)CNC(=O)c1cccc(O)c1)c1cccc(C(F)(F)F)c1 ZINC001170320315 1077942354 /nfs/dbraw/zinc/94/23/54/1077942354.db2.gz JNYQPGUTYDNBRQ-KRWDZBQOSA-N 1 0 409.408 2.560 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[N@@H+]2CC[C@H](O)C23CCCC3)C1 ZINC001206047600 1077948526 /nfs/dbraw/zinc/94/85/26/1077948526.db2.gz JSLMHLVYOMDSOB-WMZOPIPTSA-N 1 0 405.543 2.730 20 0 HFADRO CC(C)(C)C(=O)N1CCC(CNc2ccccc2C(=O)NC2CC[NH2+]CC2)CC1 ZINC001170354515 1077948758 /nfs/dbraw/zinc/94/87/58/1077948758.db2.gz VTZVHHUEEIUOKB-UHFFFAOYSA-N 1 0 400.567 2.865 20 0 HFADRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(-c2nc(COc3ccc(C)cc3)no2)ccn1 ZINC001170340715 1077953096 /nfs/dbraw/zinc/95/30/96/1077953096.db2.gz RMOHVDUTUYHXGL-UHFFFAOYSA-N 1 0 406.446 2.720 20 0 HFADRO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000772813183 1077955856 /nfs/dbraw/zinc/95/58/56/1077955856.db2.gz OGOKGSOSZVIHIY-GIVPXCGWSA-N 1 0 402.922 2.763 20 0 HFADRO O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)OCc1ccccc1 ZINC000746882917 1077956586 /nfs/dbraw/zinc/95/65/86/1077956586.db2.gz NQDYZPLERNINDZ-IFMALSPDSA-N 1 0 407.514 2.877 20 0 HFADRO C[C@@H]1CN(CCN(C)C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000790121038 1077957875 /nfs/dbraw/zinc/95/78/75/1077957875.db2.gz BVMDPFSUFMURMT-KDURUIRLSA-N 1 0 409.530 2.651 20 0 HFADRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC2(C)C)cc1S(=O)(=O)N(CC)CC ZINC001170399796 1077964819 /nfs/dbraw/zinc/96/48/19/1077964819.db2.gz NGUFRSPHMHTAAY-GOSISDBHSA-N 1 0 411.568 2.833 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001170412216 1077966770 /nfs/dbraw/zinc/96/67/70/1077966770.db2.gz OCIJAKGCFOAKKM-GOSISDBHSA-N 1 0 405.539 2.879 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000790192016 1077967516 /nfs/dbraw/zinc/96/75/16/1077967516.db2.gz ZWOAKLZKCWZOTE-WBVHZDCISA-N 1 0 411.468 2.869 20 0 HFADRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000746887569 1077972910 /nfs/dbraw/zinc/97/29/10/1077972910.db2.gz RDXCKHBYPINBKA-AWEZNQCLSA-N 1 0 424.501 2.780 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NC[C@H](C)C[NH+]2CCCC2)cn1 ZINC000790219939 1077973029 /nfs/dbraw/zinc/97/30/29/1077973029.db2.gz PFZJMWTXRCQKIT-SIKLNZKXSA-N 1 0 413.566 2.880 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)COC3CN(C(=O)OC(C)(C)C)C3)cccc21 ZINC000790240169 1077974494 /nfs/dbraw/zinc/97/44/94/1077974494.db2.gz GAEKPZCGUDFVPA-QGZVFWFLSA-N 1 0 405.495 2.646 20 0 HFADRO Cn1ccnc1[C@@](O)(CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)C(F)(F)F ZINC000790241242 1077974896 /nfs/dbraw/zinc/97/48/96/1077974896.db2.gz LNQZBSUTCUXLDH-KSSFIOAISA-N 1 0 412.412 2.584 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792747177 1077983669 /nfs/dbraw/zinc/98/36/69/1077983669.db2.gz IKNLTXZNUHLIQW-MRXNPFEDSA-N 1 0 419.385 2.569 20 0 HFADRO COCc1ncsc1C(=O)O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792753247 1077985945 /nfs/dbraw/zinc/98/59/45/1077985945.db2.gz JMGUOMZQQDJSDF-HNNXBMFYSA-N 1 0 417.531 2.616 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCCC2CC[NH+](C)CC2)cn1 ZINC000790292974 1077987423 /nfs/dbraw/zinc/98/74/23/1077987423.db2.gz LWNQHGMUOYGYFX-QFIPXVFZSA-N 1 0 413.566 2.880 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000790264742 1077989841 /nfs/dbraw/zinc/98/98/41/1077989841.db2.gz OQXDPOINYXVCPB-NXHRZFHOSA-N 1 0 409.452 2.764 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccnc(-n3ccnc3)c2)c1 ZINC000790268578 1077991148 /nfs/dbraw/zinc/99/11/48/1077991148.db2.gz GIGKQJLFMPTAFE-UHFFFAOYSA-N 1 0 408.506 2.549 20 0 HFADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000747086877 1077997422 /nfs/dbraw/zinc/99/74/22/1077997422.db2.gz IHOHBBDGUVZLSP-JPYJTQIMSA-N 1 0 414.550 2.862 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000790349435 1078001439 /nfs/dbraw/zinc/00/14/39/1078001439.db2.gz ZFGNIBFPZLGQRV-UHFFFAOYSA-N 1 0 407.467 2.509 20 0 HFADRO C[NH+]1CCC(CNC(=S)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000790357134 1078003155 /nfs/dbraw/zinc/00/31/55/1078003155.db2.gz SBUNTUZBUZYRFS-UHFFFAOYSA-N 1 0 406.415 2.521 20 0 HFADRO COc1ccc(Br)cc1CN(C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790360904 1078004089 /nfs/dbraw/zinc/00/40/89/1078004089.db2.gz PCLZXUHBEQICEW-IBGZPJMESA-N 1 0 424.339 2.764 20 0 HFADRO COc1cc(CN(C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)ccc1OC(F)F ZINC000790360175 1078004277 /nfs/dbraw/zinc/00/42/77/1078004277.db2.gz DPEBPAAPJPJZOB-FQEVSTJZSA-N 1 0 411.449 2.603 20 0 HFADRO C[C@H](O)[C@@](C)(CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000790363041 1078004569 /nfs/dbraw/zinc/00/45/69/1078004569.db2.gz SCKPWYTUOUMWOK-AVCGJXAMSA-N 1 0 403.567 2.559 20 0 HFADRO CN(CCc1ccc(Br)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790363718 1078004977 /nfs/dbraw/zinc/00/49/77/1078004977.db2.gz UYXVTDHKWWBEBJ-IBGZPJMESA-N 1 0 408.340 2.798 20 0 HFADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H]2CC(C)(C)C)C1=O ZINC000747087325 1078005283 /nfs/dbraw/zinc/00/52/83/1078005283.db2.gz RNMOZUJUSQKKRE-HTAPYJJXSA-N 1 0 400.523 2.776 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=S)NCC(C)(C)C[NH+](C)C)cn1 ZINC000790341172 1078007438 /nfs/dbraw/zinc/00/74/38/1078007438.db2.gz UVFLUZDHEMISSH-FQEVSTJZSA-N 1 0 417.623 2.901 20 0 HFADRO C[C@]1(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792857383 1078009583 /nfs/dbraw/zinc/00/95/83/1078009583.db2.gz YYTNHVMVVZAEIQ-KNKQGSTJSA-N 1 0 400.523 2.714 20 0 HFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1nc(Br)ccc1Br ZINC000790382271 1078009968 /nfs/dbraw/zinc/00/99/68/1078009968.db2.gz RNVQMALKRIHGSF-VIFPVBQESA-N 1 0 403.118 2.821 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792861121 1078010415 /nfs/dbraw/zinc/01/04/15/1078010415.db2.gz XVTJWZYRJTUIIU-VQTJNVASSA-N 1 0 414.550 2.819 20 0 HFADRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792863805 1078011189 /nfs/dbraw/zinc/01/11/89/1078011189.db2.gz SAHNNFLSSDJABJ-IBGZPJMESA-N 1 0 402.926 2.904 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000790389149 1078012287 /nfs/dbraw/zinc/01/22/87/1078012287.db2.gz JLUWATLBEPLSLD-JOCHJYFZSA-N 1 0 424.545 2.882 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCC(COc3ccc(Cl)nc3)CC1)C[NH+]1CCC2CC1 ZINC000790388290 1078012579 /nfs/dbraw/zinc/01/25/79/1078012579.db2.gz OQXPTUITJVDMFM-OAQYLSRUSA-N 1 0 420.941 2.700 20 0 HFADRO CN(CCOc1ccc(C(F)(F)F)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790392339 1078013829 /nfs/dbraw/zinc/01/38/29/1078013829.db2.gz ZUTWDCYUNPSVTR-IBGZPJMESA-N 1 0 413.440 2.890 20 0 HFADRO C[N@H+](CCOc1cccc(CNC(=O)NCc2cccnc2F)c1)C1CCOCC1 ZINC000792897423 1078018709 /nfs/dbraw/zinc/01/87/09/1078018709.db2.gz HOTRCRUKLFMUSA-UHFFFAOYSA-N 1 0 416.497 2.710 20 0 HFADRO O[C@H](C[C@H]1COCCN1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873460 1078021813 /nfs/dbraw/zinc/02/18/13/1078021813.db2.gz SYNLGAVHWFVIEJ-FDFHNCONSA-N 1 0 400.519 2.695 20 0 HFADRO CN1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000792942571 1078022307 /nfs/dbraw/zinc/02/23/07/1078022307.db2.gz ORVRAIZOMHVWKU-XMMPIXPASA-N 1 0 422.573 2.711 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cn1 ZINC000790424176 1078022903 /nfs/dbraw/zinc/02/29/03/1078022903.db2.gz KJHAWWPAXSLOKO-BULFRSBZSA-N 1 0 411.550 2.631 20 0 HFADRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000792943765 1078023030 /nfs/dbraw/zinc/02/30/30/1078023030.db2.gz UEPDLVSBKKALSL-RDPSFJRHSA-N 1 0 422.573 2.709 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000792945243 1078023271 /nfs/dbraw/zinc/02/32/71/1078023271.db2.gz XHMIFZCESDDQQP-CQSZACIVSA-N 1 0 400.903 2.519 20 0 HFADRO CC(C)[NH+]1CCN(CCCN2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000792919643 1078025569 /nfs/dbraw/zinc/02/55/69/1078025569.db2.gz MZCAVQWEDIIVGI-OALUTQOASA-N 1 0 400.583 2.682 20 0 HFADRO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)c1ccccc1C(=O)NCc1ccco1 ZINC000792923259 1078026701 /nfs/dbraw/zinc/02/67/01/1078026701.db2.gz DLQRUBGNUPZYAF-NHCUHLMSSA-N 1 0 411.502 2.816 20 0 HFADRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN2CC[C@H](N3CCCC3=O)C2)c1=S ZINC000790461383 1078027928 /nfs/dbraw/zinc/02/79/28/1078027928.db2.gz SIRGGRMUMSVGSO-IRXDYDNUSA-N 1 0 408.616 2.881 20 0 HFADRO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000792930868 1078028125 /nfs/dbraw/zinc/02/81/25/1078028125.db2.gz CTWRTHIBIBUNKK-NHCUHLMSSA-N 1 0 424.545 2.910 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)c1ccco1 ZINC000792970770 1078029722 /nfs/dbraw/zinc/02/97/22/1078029722.db2.gz XHESOHJWHRCZKT-ZDUSSCGKSA-N 1 0 423.311 2.883 20 0 HFADRO C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790436772 1078030453 /nfs/dbraw/zinc/03/04/53/1078030453.db2.gz KFSGJJFFUAYDJH-PPHDSNJXSA-N 1 0 421.908 2.854 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000792979180 1078031560 /nfs/dbraw/zinc/03/15/60/1078031560.db2.gz BMNGPRGQAOVRNF-UHFFFAOYSA-N 1 0 419.323 2.893 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)nc1Br ZINC000792954180 1078034560 /nfs/dbraw/zinc/03/45/60/1078034560.db2.gz ZVNFWNSGUXVWAP-CYBMUJFWSA-N 1 0 411.344 2.719 20 0 HFADRO O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000747094549 1078036335 /nfs/dbraw/zinc/03/63/35/1078036335.db2.gz DCPJXADYMWSTAB-WIYYLYMNSA-N 1 0 424.501 2.648 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cn1 ZINC000790468687 1078038414 /nfs/dbraw/zinc/03/84/14/1078038414.db2.gz RUKQVRPMALDKRC-AVRDEDQJSA-N 1 0 411.550 2.799 20 0 HFADRO CS(=O)(=O)CCOCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000792984944 1078041022 /nfs/dbraw/zinc/04/10/22/1078041022.db2.gz IERKBTBOTWZBHT-UHFFFAOYSA-N 1 0 404.248 2.619 20 0 HFADRO COc1ccc(CN(CCc2ccccn2)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000792990177 1078042327 /nfs/dbraw/zinc/04/23/27/1078042327.db2.gz QEAPOAOHVHUYGV-JTHBVZDNSA-N 1 0 424.545 2.708 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccco1 ZINC000806282440 1079546503 /nfs/dbraw/zinc/54/65/03/1079546503.db2.gz LAXMTERUAIDFFV-PBHICJAKSA-N 1 0 408.524 2.580 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CCC2 ZINC000806298759 1079549665 /nfs/dbraw/zinc/54/96/65/1079549665.db2.gz OIJGHWCGGDQQID-ABSDTBQOSA-N 1 0 415.582 2.727 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[NH+](C3CCC(C)CC3)CC1)CCC2 ZINC000806302958 1079554805 /nfs/dbraw/zinc/55/48/05/1079554805.db2.gz JAQBDMPTUJDCMD-LYBXBRPPSA-N 1 0 415.582 2.681 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC000806306303 1079558460 /nfs/dbraw/zinc/55/84/60/1079558460.db2.gz ASSKJCFESQGTDL-LJQANCHMSA-N 1 0 418.538 2.610 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000806308061 1079558862 /nfs/dbraw/zinc/55/88/62/1079558862.db2.gz LEDPLOSHOMUJJV-IEBWSBKVSA-N 1 0 406.527 2.608 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC001130586730 1079561360 /nfs/dbraw/zinc/56/13/60/1079561360.db2.gz STBOERPVYBUBEP-FGTMMUONSA-N 1 0 407.580 2.723 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806309396 1079564153 /nfs/dbraw/zinc/56/41/53/1079564153.db2.gz FBOZWUWSVDPPPQ-PMACEKPBSA-N 1 0 402.539 2.961 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000806310806 1079564790 /nfs/dbraw/zinc/56/47/90/1079564790.db2.gz JBOPXFHQZJXIIF-AZUAARDMSA-N 1 0 418.538 2.752 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)cn1 ZINC000806319959 1079591344 /nfs/dbraw/zinc/59/13/44/1079591344.db2.gz VMSPXVGCPWTKRQ-LJQANCHMSA-N 1 0 420.558 2.890 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)(C)C ZINC000806321386 1079593588 /nfs/dbraw/zinc/59/35/88/1079593588.db2.gz UGVJVYRINHDVEF-ZCNNSNEGSA-N 1 0 409.615 2.982 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000806327742 1079599967 /nfs/dbraw/zinc/59/99/67/1079599967.db2.gz GHVUVEPWOPXJJH-HIFRSBDPSA-N 1 0 401.429 2.753 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCCC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000806331921 1079603214 /nfs/dbraw/zinc/60/32/14/1079603214.db2.gz HMVHRBGFYICEQX-IRXDYDNUSA-N 1 0 400.539 2.851 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000806333211 1079603791 /nfs/dbraw/zinc/60/37/91/1079603791.db2.gz GPDUUSRIKYCHOV-QGZVFWFLSA-N 1 0 406.531 2.591 20 0 HFADRO Cc1cc(NC(=O)N2CCCC[C@H]2COC(=O)NC(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000806334754 1079605713 /nfs/dbraw/zinc/60/57/13/1079605713.db2.gz USHCMOLTGVSWFF-SFHVURJKSA-N 1 0 420.558 2.979 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000806342427 1079615687 /nfs/dbraw/zinc/61/56/87/1079615687.db2.gz JVBGLILTIFICRV-NRFANRHFSA-N 1 0 410.518 2.924 20 0 HFADRO CC(C)[N@@H+](Cc1ccc(NC(=O)NCc2cnn(C)n2)cc1)C[C@@H]1CCCCO1 ZINC000806389688 1079641009 /nfs/dbraw/zinc/64/10/09/1079641009.db2.gz XAVKYNJVFWTBEV-FQEVSTJZSA-N 1 0 400.527 2.916 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2)cc1 ZINC000806391938 1079642678 /nfs/dbraw/zinc/64/26/78/1079642678.db2.gz WVLKJFSGRXQOPY-ICSRJNTNSA-N 1 0 402.583 2.563 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000806360240 1079647189 /nfs/dbraw/zinc/64/71/89/1079647189.db2.gz AFHYQJBXSMNLHM-PKTZIBPZSA-N 1 0 416.610 2.722 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000806360238 1079647348 /nfs/dbraw/zinc/64/73/48/1079647348.db2.gz AFHYQJBXSMNLHM-DHIUTWEWSA-N 1 0 416.610 2.722 20 0 HFADRO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000806429205 1079674014 /nfs/dbraw/zinc/67/40/14/1079674014.db2.gz REGADHUBTPTJSC-AZUAARDMSA-N 1 0 406.571 2.903 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806434395 1079680143 /nfs/dbraw/zinc/68/01/43/1079680143.db2.gz KFNJTQCQADBNBU-UXHICEINSA-N 1 0 402.539 2.961 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000806434024 1079680170 /nfs/dbraw/zinc/68/01/70/1079680170.db2.gz ZUCRSAFAILYPBL-LJQANCHMSA-N 1 0 402.539 2.743 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000806404111 1079691391 /nfs/dbraw/zinc/69/13/91/1079691391.db2.gz AIBMROUSOHHDOI-UXHICEINSA-N 1 0 424.586 2.531 20 0 HFADRO CC1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000806404923 1079692982 /nfs/dbraw/zinc/69/29/82/1079692982.db2.gz LFGAJQSLBPBPOV-WOJBJXKFSA-N 1 0 424.586 2.578 20 0 HFADRO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000806406023 1079694314 /nfs/dbraw/zinc/69/43/14/1079694314.db2.gz UDLJVPHHCGSLKI-FQEVSTJZSA-N 1 0 424.586 2.531 20 0 HFADRO Cc1ccc(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(Cl)n1 ZINC000806443746 1079715415 /nfs/dbraw/zinc/71/54/15/1079715415.db2.gz SXWDFDXEQHQAEY-UHFFFAOYSA-N 1 0 400.954 2.910 20 0 HFADRO C[C@@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806450903 1079721452 /nfs/dbraw/zinc/72/14/52/1079721452.db2.gz ALYPCKXISYIKJH-QGZVFWFLSA-N 1 0 416.566 2.876 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)ccnc1-2 ZINC000806491855 1079743225 /nfs/dbraw/zinc/74/32/25/1079743225.db2.gz VGFKKEYPTLCDEE-UHFFFAOYSA-N 1 0 404.518 2.862 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000806497388 1079747465 /nfs/dbraw/zinc/74/74/65/1079747465.db2.gz HIOZWVJZNQFCJZ-VQTJNVASSA-N 1 0 404.555 2.812 20 0 HFADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@@H]2CCCC23OCCO3)cc1 ZINC000806496700 1079748162 /nfs/dbraw/zinc/74/81/62/1079748162.db2.gz IBCIDQYYLVRZJO-IBGZPJMESA-N 1 0 401.507 2.983 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)([NH+](C)C)C1 ZINC000806502916 1079753751 /nfs/dbraw/zinc/75/37/51/1079753751.db2.gz LACIUFHKYDQJHK-MOXWOTFGSA-N 1 0 424.586 2.576 20 0 HFADRO CCN(C(=O)C(=O)NC[C@@H]1CSCCS1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000806474689 1079761296 /nfs/dbraw/zinc/76/12/96/1079761296.db2.gz DBUCQHBGWWENFG-YTQUADARSA-N 1 0 421.632 2.635 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000806478044 1079763657 /nfs/dbraw/zinc/76/36/57/1079763657.db2.gz PNNSHTQMLZYZKW-QGZVFWFLSA-N 1 0 406.531 2.672 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000806480292 1079765186 /nfs/dbraw/zinc/76/51/86/1079765186.db2.gz HDPBLOOHXDDPOW-APWZRJJASA-N 1 0 418.563 2.601 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)NC[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806483923 1079770556 /nfs/dbraw/zinc/77/05/56/1079770556.db2.gz VQAWNMDPMFWXJG-SCLBCKFNSA-N 1 0 416.888 2.949 20 0 HFADRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2[NH2+]CCCC2CCCC2)c1 ZINC001130680516 1079814260 /nfs/dbraw/zinc/81/42/60/1079814260.db2.gz UOVQCDQDNUCTNV-XZAAFUHCSA-N 1 0 400.567 2.842 20 0 HFADRO Cc1c(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)nnn1-c1cnn(C)c1 ZINC001130672731 1079822890 /nfs/dbraw/zinc/82/28/90/1079822890.db2.gz JCHKDVMEHWGGDQ-UHFFFAOYSA-N 1 0 411.535 2.749 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000806594857 1079838017 /nfs/dbraw/zinc/83/80/17/1079838017.db2.gz STCHNYZGOOJIHT-WMZOPIPTSA-N 1 0 406.958 2.507 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000806651126 1079869432 /nfs/dbraw/zinc/86/94/32/1079869432.db2.gz KOSSFRUTWBDMLK-FQEVSTJZSA-N 1 0 410.562 2.699 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000747341320 1079878764 /nfs/dbraw/zinc/87/87/64/1079878764.db2.gz FLLXIEAKPZAPQL-NJDAHSKKSA-N 1 0 421.541 2.671 20 0 HFADRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c12 ZINC000747344137 1079906923 /nfs/dbraw/zinc/90/69/23/1079906923.db2.gz UYKDSDBGTRLMFQ-DLBZAZTESA-N 1 0 411.550 2.965 20 0 HFADRO O=C(Nc1cc(F)c(F)cc1N1CCOCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806714065 1079941136 /nfs/dbraw/zinc/94/11/36/1079941136.db2.gz UUJJPOGCWYTUFT-INIZCTEOSA-N 1 0 424.492 2.566 20 0 HFADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)c1ccc(Cl)cc1 ZINC000806729142 1079953564 /nfs/dbraw/zinc/95/35/64/1079953564.db2.gz WPLCIHAQPCXKFN-LJQANCHMSA-N 1 0 417.937 2.603 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000806729906 1079956190 /nfs/dbraw/zinc/95/61/90/1079956190.db2.gz ZBBDWYXEOJLGLH-UHFFFAOYSA-N 1 0 423.557 2.573 20 0 HFADRO CCC(CC)[C@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[NH+]1CCCC1 ZINC000806734043 1079959873 /nfs/dbraw/zinc/95/98/73/1079959873.db2.gz YIORJDQMWDDXGP-FQEVSTJZSA-N 1 0 403.567 2.547 20 0 HFADRO Cc1ccc(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)n1 ZINC000806734915 1079961393 /nfs/dbraw/zinc/96/13/93/1079961393.db2.gz PUEIMLFVEIWIBV-QGZVFWFLSA-N 1 0 400.910 2.922 20 0 HFADRO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130732684 1079969794 /nfs/dbraw/zinc/96/97/94/1079969794.db2.gz AVLQKTPYDYVSPR-JJEOQYAHSA-N 1 0 410.562 2.717 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130733391 1079972048 /nfs/dbraw/zinc/97/20/48/1079972048.db2.gz PNGHUGZYGNOKDJ-MOPGFXCFSA-N 1 0 401.457 2.984 20 0 HFADRO CCOC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)nc1C ZINC001130733425 1079972618 /nfs/dbraw/zinc/97/26/18/1079972618.db2.gz QFBLAZFAWSYDQT-YADHBBJMSA-N 1 0 423.513 2.682 20 0 HFADRO COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC001130740366 1079993851 /nfs/dbraw/zinc/99/38/51/1079993851.db2.gz LHQIFOZPDKBTME-LJQANCHMSA-N 1 0 411.502 2.659 20 0 HFADRO CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806789364 1080010655 /nfs/dbraw/zinc/01/06/55/1080010655.db2.gz KLYZJYMTCHDGHY-JOCHJYFZSA-N 1 0 423.561 2.744 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806814615 1080026910 /nfs/dbraw/zinc/02/69/10/1080026910.db2.gz SHSOGJAOSNVCAM-VQTJNVASSA-N 1 0 424.586 2.720 20 0 HFADRO Cc1ccc(CC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(Cl)n1 ZINC000806830372 1080043835 /nfs/dbraw/zinc/04/38/35/1080043835.db2.gz IQRLFWKKYCVPJJ-UHFFFAOYSA-N 1 0 414.937 2.728 20 0 HFADRO Cc1c(CNC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)oc2ccccc12 ZINC000806831486 1080044735 /nfs/dbraw/zinc/04/47/35/1080044735.db2.gz BPNQQXVPTWOCAI-UHFFFAOYSA-N 1 0 407.514 2.990 20 0 HFADRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(Cl)nc2ncn(Cc3ccccc3)c21 ZINC001170513295 1080056975 /nfs/dbraw/zinc/05/69/75/1080056975.db2.gz HAQZJTQCISQLAB-UHFFFAOYSA-N 1 0 412.881 2.750 20 0 HFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3nc(Br)sc3C3CC3)CC2)C1 ZINC000806867072 1080068355 /nfs/dbraw/zinc/06/83/55/1080068355.db2.gz NWDOHRBWRJOHMO-CYBMUJFWSA-N 1 0 413.385 2.635 20 0 HFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(Br)ncc2Cl)CC1 ZINC000806872957 1080074561 /nfs/dbraw/zinc/07/45/61/1080074561.db2.gz PNKLKTNKOJFRII-UHFFFAOYSA-N 1 0 403.752 2.501 20 0 HFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C(C)(C)O)c3)C2)CC1 ZINC000806879968 1080079014 /nfs/dbraw/zinc/07/90/14/1080079014.db2.gz LYBACPRFKRKJNT-SFHVURJKSA-N 1 0 401.551 2.823 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000806885253 1080083172 /nfs/dbraw/zinc/08/31/72/1080083172.db2.gz DRRQIVPKLAWTTO-SFHVURJKSA-N 1 0 401.551 2.967 20 0 HFADRO C[C@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806923083 1080092475 /nfs/dbraw/zinc/09/24/75/1080092475.db2.gz ARCQXMOMBIXEEA-INIZCTEOSA-N 1 0 401.551 2.705 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000806908210 1080115336 /nfs/dbraw/zinc/11/53/36/1080115336.db2.gz ZQLPXPSKMCVSTF-LPHOPBHVSA-N 1 0 400.589 2.514 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000806933794 1080117169 /nfs/dbraw/zinc/11/71/69/1080117169.db2.gz HGDYZNWYTKWNSY-IBGZPJMESA-N 1 0 424.586 2.531 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000806935066 1080143928 /nfs/dbraw/zinc/14/39/28/1080143928.db2.gz UFLCYZVMOHENMI-NRFANRHFSA-N 1 0 403.567 2.864 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000806953104 1080163506 /nfs/dbraw/zinc/16/35/06/1080163506.db2.gz HGWTUJVVJJYSCR-IHPCNDPISA-N 1 0 402.539 2.960 20 0 HFADRO COc1ccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c(I)c1 ZINC001130798385 1080185485 /nfs/dbraw/zinc/18/54/85/1080185485.db2.gz BXIRUZHHDLAYES-INIZCTEOSA-N 1 0 400.260 2.514 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000807007909 1080206212 /nfs/dbraw/zinc/20/62/12/1080206212.db2.gz RTUUXBWANGQCCG-YLJYHZDGSA-N 1 0 417.554 2.917 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cc1 ZINC000807077288 1080258640 /nfs/dbraw/zinc/25/86/40/1080258640.db2.gz FPMLDSGBYZUDQL-RTMXWXTASA-N 1 0 405.539 2.919 20 0 HFADRO C[C@H](CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)[NH+]1CCCCC1 ZINC000807090723 1080269318 /nfs/dbraw/zinc/26/93/18/1080269318.db2.gz XZNCZVLDVLEDIW-WIYYLYMNSA-N 1 0 401.551 2.651 20 0 HFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807091949 1080270713 /nfs/dbraw/zinc/27/07/13/1080270713.db2.gz QDVYPZZERGNJLV-LEWJYISDSA-N 1 0 401.551 2.603 20 0 HFADRO C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)C1 ZINC001130844456 1080280935 /nfs/dbraw/zinc/28/09/35/1080280935.db2.gz ZBOHXGJVIMQUQN-QGZVFWFLSA-N 1 0 406.461 2.895 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000807113719 1080290478 /nfs/dbraw/zinc/29/04/78/1080290478.db2.gz IDLRPXHVIQWOJQ-LRQRDZAKSA-N 1 0 410.518 2.673 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000807116706 1080292556 /nfs/dbraw/zinc/29/25/56/1080292556.db2.gz PMAYOVGZYSHJBX-HXUWFJFHSA-N 1 0 421.586 2.610 20 0 HFADRO CC[NH+](CC)CCSCC(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC001170518369 1080323975 /nfs/dbraw/zinc/32/39/75/1080323975.db2.gz ZCRUHFQPDSJHAQ-UHFFFAOYSA-N 1 0 424.611 2.820 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000807189904 1080338281 /nfs/dbraw/zinc/33/82/81/1080338281.db2.gz ZHUVHCQREBLRRQ-HWOWSKLDSA-N 1 0 420.476 2.712 20 0 HFADRO CCO[C@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C12CCCC2 ZINC000807198640 1080347832 /nfs/dbraw/zinc/34/78/32/1080347832.db2.gz MNPAAHJWDFFPFB-UXHICEINSA-N 1 0 401.551 2.561 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807203307 1080350905 /nfs/dbraw/zinc/35/09/05/1080350905.db2.gz LVWIFYDQTXTNKD-DENIHFKCSA-N 1 0 402.539 2.819 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807203308 1080351140 /nfs/dbraw/zinc/35/11/40/1080351140.db2.gz LVWIFYDQTXTNKD-KNQAVFIVSA-N 1 0 402.539 2.819 20 0 HFADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)CCCO1 ZINC000807180691 1080373636 /nfs/dbraw/zinc/37/36/36/1080373636.db2.gz LGORAJAEAURDSD-AZUAARDMSA-N 1 0 424.586 2.720 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000747381128 1080385883 /nfs/dbraw/zinc/38/58/83/1080385883.db2.gz RYGQPHAIBRUQCC-UHFFFAOYSA-N 1 0 405.568 2.679 20 0 HFADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000747377514 1080402004 /nfs/dbraw/zinc/40/20/04/1080402004.db2.gz YQVVXWLSYIQXLB-BQJUDKOJSA-N 1 0 417.550 2.648 20 0 HFADRO CC(=O)N1CSC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000747378378 1080412896 /nfs/dbraw/zinc/41/28/96/1080412896.db2.gz UPRXENVQRIDPAI-QGZVFWFLSA-N 1 0 415.481 2.661 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC(C)(C)c3nc(C)cs3)cc2)CC1 ZINC000807273612 1080428039 /nfs/dbraw/zinc/42/80/39/1080428039.db2.gz ZLKXWCVGLWLVFA-UHFFFAOYSA-N 1 0 415.563 2.583 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001130895431 1080431838 /nfs/dbraw/zinc/43/18/38/1080431838.db2.gz PKKNWHKYYILZJR-CQSZACIVSA-N 1 0 415.987 2.973 20 0 HFADRO Cc1ccc(NC(=O)c2cnc(C3OCCO3)s2)cc1NC(=O)CC[NH+](C)C ZINC000807257160 1080458442 /nfs/dbraw/zinc/45/84/42/1080458442.db2.gz YSORGIPNWHENKF-UHFFFAOYSA-N 1 0 404.492 2.639 20 0 HFADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC(c3cccc(F)c3)CC2)Cc2ccccc2C1 ZINC000807297602 1080492834 /nfs/dbraw/zinc/49/28/34/1080492834.db2.gz HUAYOMXGLOCOKM-UHFFFAOYSA-N 1 0 423.532 2.747 20 0 HFADRO CCOC(=O)C1=C(Nc2cc3c(cn2)OCC(=O)N3)CC[N@H+](Cc2ccccc2)C1 ZINC001170522066 1080495490 /nfs/dbraw/zinc/49/54/90/1080495490.db2.gz WFBQJOQCSUIHOC-UHFFFAOYSA-N 1 0 408.458 2.548 20 0 HFADRO Cc1cc2c(cc1C)N(C(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)CC2 ZINC000807310272 1080502714 /nfs/dbraw/zinc/50/27/14/1080502714.db2.gz DEUWSUSBBXZGBK-UHFFFAOYSA-N 1 0 408.502 2.721 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cnc(Br)cc1C)c1ccco1 ZINC000807310835 1080504341 /nfs/dbraw/zinc/50/43/41/1080504341.db2.gz UDWJFAKCKOWUQD-JSGCOSHPSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cnc(Br)c(C)c1)c1ccco1 ZINC000807310599 1080504474 /nfs/dbraw/zinc/50/44/74/1080504474.db2.gz NRXXVFIUWBLVOF-JSGCOSHPSA-N 1 0 423.311 2.930 20 0 HFADRO Cc1ccc(Cl)c(OCC(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000807312850 1080506613 /nfs/dbraw/zinc/50/66/13/1080506613.db2.gz UUSNTFQKLWISIE-UHFFFAOYSA-N 1 0 416.905 2.915 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C(=O)Nc1ccc(C2CC2)cc1 ZINC000807313418 1080507272 /nfs/dbraw/zinc/50/72/72/1080507272.db2.gz GNDQKKDIDKZFON-UHFFFAOYSA-N 1 0 420.557 2.779 20 0 HFADRO CCN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000807318794 1080512421 /nfs/dbraw/zinc/51/24/21/1080512421.db2.gz JUBBBTBFIQGKCA-QGZVFWFLSA-N 1 0 414.550 2.582 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(N(C)C)n1 ZINC000807354760 1080516852 /nfs/dbraw/zinc/51/68/52/1080516852.db2.gz JITPJEYMFDZJDA-XMMPIXPASA-N 1 0 421.545 2.519 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000807358754 1080520771 /nfs/dbraw/zinc/52/07/71/1080520771.db2.gz FWPFLEVMBIKRJF-LJQANCHMSA-N 1 0 416.566 2.575 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000807331744 1080531695 /nfs/dbraw/zinc/53/16/95/1080531695.db2.gz GMTLCCPQPNTBCT-OALUTQOASA-N 1 0 416.566 2.573 20 0 HFADRO Cc1csc([C@H](C)CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000807350879 1080556917 /nfs/dbraw/zinc/55/69/17/1080556917.db2.gz VQVAQXTWHKORSH-OPAMFIHVSA-N 1 0 414.575 2.700 20 0 HFADRO C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000807394102 1080560665 /nfs/dbraw/zinc/56/06/65/1080560665.db2.gz ZHTVZPYRYFCIEU-GCJKJVERSA-N 1 0 406.530 2.987 20 0 HFADRO CNC(=O)Oc1cccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC001130932630 1080578576 /nfs/dbraw/zinc/57/85/76/1080578576.db2.gz NMSALWBVWGYGET-RTBURBONSA-N 1 0 400.479 2.558 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000807431612 1080591440 /nfs/dbraw/zinc/59/14/40/1080591440.db2.gz AGSDODXLDLWKNB-VFNWGFHPSA-N 1 0 405.926 2.935 20 0 HFADRO C[C@H](O)c1cc(NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)ccc1F ZINC000807399243 1080593638 /nfs/dbraw/zinc/59/36/38/1080593638.db2.gz GRFYEFFKCLRPTI-AWEZNQCLSA-N 1 0 403.454 2.787 20 0 HFADRO Cc1cc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cnc1Br ZINC000807413821 1080611747 /nfs/dbraw/zinc/61/17/47/1080611747.db2.gz WJBFAXKGUCPSIN-UHFFFAOYSA-N 1 0 423.311 2.665 20 0 HFADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1N1CCSCC1 ZINC000807453018 1080632821 /nfs/dbraw/zinc/63/28/21/1080632821.db2.gz CZJHPWQTNUOEIW-FXAWDEMLSA-N 1 0 416.591 2.572 20 0 HFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Br)CC2)C1 ZINC001170525239 1080648054 /nfs/dbraw/zinc/64/80/54/1080648054.db2.gz QXMLHZNOJYDJAQ-HIFRSBDPSA-N 1 0 409.324 2.985 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)c1ccco1 ZINC000807442073 1080662505 /nfs/dbraw/zinc/66/25/05/1080662505.db2.gz VMFBJZQECZNYEH-XIRDDKMYSA-N 1 0 417.506 2.985 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)c1ccco1 ZINC000807442966 1080663374 /nfs/dbraw/zinc/66/33/74/1080663374.db2.gz UTQGLXCPNKXOLB-IHRRRGAJSA-N 1 0 404.433 2.513 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)c1ccc(F)cc1 ZINC000807486430 1080668015 /nfs/dbraw/zinc/66/80/15/1080668015.db2.gz HTNWALAQFHFQLO-QGZVFWFLSA-N 1 0 413.428 2.508 20 0 HFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000807487734 1080673246 /nfs/dbraw/zinc/67/32/46/1080673246.db2.gz HEUOCXMIRFIJGY-KRWDZBQOSA-N 1 0 409.408 2.555 20 0 HFADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000807488178 1080673672 /nfs/dbraw/zinc/67/36/72/1080673672.db2.gz TVIVBXOUJFVSPO-GOSISDBHSA-N 1 0 423.435 2.598 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000807509798 1080716010 /nfs/dbraw/zinc/71/60/10/1080716010.db2.gz OMKBLFBKULNRBP-UHFFFAOYSA-N 1 0 423.557 2.653 20 0 HFADRO CC[C@H](c1cccc(OC)c1)N(C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000807540913 1080756006 /nfs/dbraw/zinc/75/60/06/1080756006.db2.gz AQKDCBSXTUQFPS-OAQYLSRUSA-N 1 0 424.545 2.995 20 0 HFADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000807543308 1080758719 /nfs/dbraw/zinc/75/87/19/1080758719.db2.gz FINOVWVNOVGCGZ-HIFRSBDPSA-N 1 0 406.408 2.818 20 0 HFADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000807542861 1080759428 /nfs/dbraw/zinc/75/94/28/1080759428.db2.gz FVTDJTTYNGMSJB-CJNGLKHVSA-N 1 0 417.307 2.562 20 0 HFADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccnc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000807544737 1080761446 /nfs/dbraw/zinc/76/14/46/1080761446.db2.gz ZSNXODSCCHEPAL-UKRRQHHQSA-N 1 0 417.307 2.562 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000807551365 1080766312 /nfs/dbraw/zinc/76/63/12/1080766312.db2.gz RVPPVLXMKKCTFH-NPPFBWRTSA-N 1 0 424.586 2.671 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000807524948 1080777544 /nfs/dbraw/zinc/77/75/44/1080777544.db2.gz QJAFNRLKBDURQQ-HXUWFJFHSA-N 1 0 402.539 2.771 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000807525894 1080778711 /nfs/dbraw/zinc/77/87/11/1080778711.db2.gz XGXOKNILQURASQ-FQEVSTJZSA-N 1 0 420.554 2.854 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)CC1 ZINC000807525654 1080779105 /nfs/dbraw/zinc/77/91/05/1080779105.db2.gz MFEYOVRFGSKVKY-UHFFFAOYSA-N 1 0 412.481 2.516 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)[C@H](C)C1 ZINC000747406068 1080792789 /nfs/dbraw/zinc/79/27/89/1080792789.db2.gz WFDKAPWNYQQGNQ-QAPCUYQASA-N 1 0 417.579 2.821 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000807555877 1080806942 /nfs/dbraw/zinc/80/69/42/1080806942.db2.gz IGPJJCBNSWKFGZ-IAGOWNOFSA-N 1 0 406.958 2.773 20 0 HFADRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)ccc1OCC(=O)N1CCCC1 ZINC000500228734 1126095169 /nfs/dbraw/zinc/09/51/69/1126095169.db2.gz ASSZSRWWESFHHS-FQEVSTJZSA-N 1 0 416.493 2.529 20 0 HFADRO CS(=O)(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000604766157 1126099853 /nfs/dbraw/zinc/09/98/53/1126099853.db2.gz MJENKUBSQCFTOQ-DLBZAZTESA-N 1 0 402.438 2.682 20 0 HFADRO Cn1c(=O)oc2cc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)ccc21 ZINC001179148448 1126151519 /nfs/dbraw/zinc/15/15/19/1126151519.db2.gz OFWGVKXONCDYKW-FQEVSTJZSA-N 1 0 417.303 2.904 20 0 HFADRO C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC001206857650 1126159903 /nfs/dbraw/zinc/15/99/03/1126159903.db2.gz XCQBANXWGLVTMI-MRXNPFEDSA-N 1 0 418.378 2.997 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001308037629 1126162466 /nfs/dbraw/zinc/16/24/66/1126162466.db2.gz FJWWGKQELYCQNG-MSOLQXFVSA-N 1 0 416.465 2.561 20 0 HFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[C@]4([NH3+])C3)c2c1C ZINC001164417374 718888304 /nfs/dbraw/zinc/88/83/04/718888304.db2.gz JRNRXEKWPORBHD-QKKBWIMNSA-N 1 0 415.563 2.700 20 0 HFADRO Fc1ccc2nc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)nc(Cl)c2c1 ZINC001164425533 718914462 /nfs/dbraw/zinc/91/44/62/718914462.db2.gz SUYRGYDQHMTVRF-QGZVFWFLSA-N 1 0 416.831 2.553 20 0 HFADRO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425864 718918406 /nfs/dbraw/zinc/91/84/06/718918406.db2.gz WAXBVRWXUXFRSA-VQTJNVASSA-N 1 0 422.888 2.510 20 0 HFADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164426209 718918527 /nfs/dbraw/zinc/91/85/27/718918527.db2.gz YBUVIEKQGLEZFX-LJQANCHMSA-N 1 0 424.879 2.927 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164620391 719006590 /nfs/dbraw/zinc/00/65/90/719006590.db2.gz YUPJJMVKJYDFKX-SCLBCKFNSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cn1)C2 ZINC001164617382 719007435 /nfs/dbraw/zinc/00/74/35/719007435.db2.gz NTEKZLNCTRVLTH-ACJLOTCBSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)cc(C(=O)OC)n3)CC2)CC1 ZINC001164613765 719023155 /nfs/dbraw/zinc/02/31/55/719023155.db2.gz CQYIUYGHONFHHE-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4nc(C)[nH]c43)CC2)CC1 ZINC001164614142 719024428 /nfs/dbraw/zinc/02/44/28/719024428.db2.gz NXHIVHVZCCPXBY-UHFFFAOYSA-N 1 0 406.918 2.559 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)NC(C)(C)C)cn3)CC2)CC1 ZINC001164616425 719026611 /nfs/dbraw/zinc/02/66/11/719026611.db2.gz DUJNDYNYRNJMGG-UHFFFAOYSA-N 1 0 416.566 2.854 20 0 HFADRO CCOC(=O)c1nnc(SC)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620999 719068960 /nfs/dbraw/zinc/06/89/60/719068960.db2.gz FYGPYYRJISNVMG-IRXDYDNUSA-N 1 0 413.547 2.871 20 0 HFADRO CCOC(=O)c1nnc(SC)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164620998 719069415 /nfs/dbraw/zinc/06/94/15/719069415.db2.gz FYGPYYRJISNVMG-IAGOWNOFSA-N 1 0 413.547 2.871 20 0 HFADRO Cc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(NC(=O)c2ccccc2)n1 ZINC001164679778 719648506 /nfs/dbraw/zinc/64/85/06/719648506.db2.gz MTPMMCWLJDQOII-UHFFFAOYSA-N 1 0 419.533 2.709 20 0 HFADRO COc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164681394 719658577 /nfs/dbraw/zinc/65/85/77/719658577.db2.gz NOANTXJOITXQOT-GOSISDBHSA-N 1 0 423.561 2.579 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(-n4cncn4)nc(C)n2)CC3)cs1 ZINC001164692637 719815861 /nfs/dbraw/zinc/81/58/61/719815861.db2.gz QCUGRPACPFWIFA-UHFFFAOYSA-N 1 0 410.551 2.766 20 0 HFADRO CCOC(=O)Cc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC001164697666 719896548 /nfs/dbraw/zinc/89/65/48/719896548.db2.gz MVPXACPQKFVXBT-UHFFFAOYSA-N 1 0 416.547 2.515 20 0 HFADRO CCOC(=O)c1nccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164705862 719899548 /nfs/dbraw/zinc/89/95/48/719899548.db2.gz DTVXRLQUIRGZEL-UHFFFAOYSA-N 1 0 402.520 2.586 20 0 HFADRO CON(C)C(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164706922 719901882 /nfs/dbraw/zinc/90/18/82/719901882.db2.gz LTADAYZUJLFIMX-UHFFFAOYSA-N 1 0 416.547 2.648 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3cc(C(=O)OC)ccc3n1)C2 ZINC001164812315 720083388 /nfs/dbraw/zinc/08/33/88/720083388.db2.gz QOOJAZSQNRLYPZ-CVDCTZTESA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)N(C)C)cn1)CC2 ZINC001164714294 720112659 /nfs/dbraw/zinc/11/26/59/720112659.db2.gz BOWCDUYQHKAJOD-OAQYLSRUSA-N 1 0 423.561 2.686 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(CC(=O)OC)n1)CC2 ZINC001164717365 720115446 /nfs/dbraw/zinc/11/54/46/720115446.db2.gz NRJPOCKONFJHKB-OAQYLSRUSA-N 1 0 424.545 2.700 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164810048 720117708 /nfs/dbraw/zinc/11/77/08/720117708.db2.gz JIHCVVRZMUAMKH-WMZHIEFXSA-N 1 0 400.567 2.795 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164715503 720118028 /nfs/dbraw/zinc/11/80/28/720118028.db2.gz GNUWFYKRGMHDBB-HXUWFJFHSA-N 1 0 409.534 2.943 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3nc(SC)sc31)C2 ZINC001164809712 720146507 /nfs/dbraw/zinc/14/65/07/720146507.db2.gz IJUCCVHRTNGWLM-LIRRHRJNSA-N 1 0 405.593 2.993 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3nc(SC)sc31)C2 ZINC001164809711 720147019 /nfs/dbraw/zinc/14/70/19/720147019.db2.gz IJUCCVHRTNGWLM-KUHUBIRLSA-N 1 0 405.593 2.993 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)nc1OC)C2 ZINC001164819727 720155666 /nfs/dbraw/zinc/15/56/66/720155666.db2.gz XXDQHMCEZXGRSG-KDOFPFPSSA-N 1 0 416.900 2.868 20 0 HFADRO Cn1nnc2c1CCN([C@H](F)c1ccnc(Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715387 720182177 /nfs/dbraw/zinc/18/21/77/720182177.db2.gz ALHZBYQEGKJDQG-LPHOPBHVSA-N 1 0 408.909 2.543 20 0 HFADRO Cc1cccc2c1ccnc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719141 720182737 /nfs/dbraw/zinc/18/27/37/720182737.db2.gz SKYXAJHGIWHEOS-OAQYLSRUSA-N 1 0 406.534 2.888 20 0 HFADRO Cc1cc2ccccc2c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164718176 720190601 /nfs/dbraw/zinc/19/06/01/720190601.db2.gz YLBWYHUOBFSYPY-OAQYLSRUSA-N 1 0 406.534 2.888 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3[nH]c4ccccc4c31)CCC2 ZINC001164812772 720225242 /nfs/dbraw/zinc/22/52/42/720225242.db2.gz IWWVIRBZQLTEIB-UHFFFAOYSA-N 1 0 417.517 2.918 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccnc(Cc3ccccc3)n1)CCC2 ZINC001164813422 720240277 /nfs/dbraw/zinc/24/02/77/720240277.db2.gz OBVHRBPEHSDFAU-UHFFFAOYSA-N 1 0 418.545 2.875 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)ncn2)CC1 ZINC001164819534 720285866 /nfs/dbraw/zinc/28/58/66/720285866.db2.gz RMGWGSDMJZJCJT-GJZGRUSLSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3cc[nH]c32)CC1 ZINC001164819815 720286138 /nfs/dbraw/zinc/28/61/38/720286138.db2.gz SHSDRCUYSKBMAF-CVEARBPZSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3ncccc32)CC1 ZINC001164819583 720300842 /nfs/dbraw/zinc/30/08/42/720300842.db2.gz DLGKPCLYWZFIHK-SJORKVTESA-N 1 0 414.941 2.590 20 0 HFADRO COc1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164826763 720304591 /nfs/dbraw/zinc/30/45/91/720304591.db2.gz WKEMHZKEJWOLBJ-LEWJYISDSA-N 1 0 409.534 2.550 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825900 720305293 /nfs/dbraw/zinc/30/52/93/720305293.db2.gz UJQHLLZBRUDJSC-UXHICEINSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2CSC3)CC1 ZINC001164821904 720308224 /nfs/dbraw/zinc/30/82/24/720308224.db2.gz LXKQDYDOXJKSAW-DLBZAZTESA-N 1 0 421.998 2.788 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3cnccc32)CC1 ZINC001164819170 720309522 /nfs/dbraw/zinc/30/95/22/720309522.db2.gz CQLQFSNOKZVOEF-MSOLQXFVSA-N 1 0 414.941 2.590 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833874 720321715 /nfs/dbraw/zinc/32/17/15/720321715.db2.gz XUQJPBZLGZSYGH-HUUCEWRRSA-N 1 0 409.987 2.763 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc21 ZINC001164823252 720324399 /nfs/dbraw/zinc/32/43/99/720324399.db2.gz ACYKYFXLQSPBEY-WOJBJXKFSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3ccc(Cl)nc3[nH]2)CC1 ZINC001164831394 720332712 /nfs/dbraw/zinc/33/27/12/720332712.db2.gz RWPYWQGXYLLRRH-HZPDHXFCSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nccnc2Cl)CC1 ZINC001164829484 720333885 /nfs/dbraw/zinc/33/38/85/720333885.db2.gz MSUBFMYMUKCKOS-GJZGRUSLSA-N 1 0 413.900 2.586 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164823928 720335288 /nfs/dbraw/zinc/33/52/88/720335288.db2.gz BROXFHOXWKMLPT-SJORKVTESA-N 1 0 419.957 2.693 20 0 HFADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccco2)n1 ZINC001164824254 720344779 /nfs/dbraw/zinc/34/47/79/720344779.db2.gz HTDYLSLIRSJPDQ-OALUTQOASA-N 1 0 409.534 2.957 20 0 HFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)c3)cc21 ZINC001164729037 720377044 /nfs/dbraw/zinc/37/70/44/720377044.db2.gz UVEACVQTJRYQPR-FGZHOGPDSA-N 1 0 414.513 2.611 20 0 HFADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC(C)C ZINC001164839377 720504414 /nfs/dbraw/zinc/50/44/14/720504414.db2.gz SZYXKJQZMVOUEJ-IPMKNSEASA-N 1 0 413.570 2.880 20 0 HFADRO COc1cc2nc(Cl)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2cc1OC ZINC001164729971 720511936 /nfs/dbraw/zinc/51/19/36/720511936.db2.gz PBORPXKDQDTBGZ-ZDUSSCGKSA-N 1 0 416.913 2.695 20 0 HFADRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164832797 720524218 /nfs/dbraw/zinc/52/42/18/720524218.db2.gz BKNVRJMFMVCRLV-RBSFLKMASA-N 1 0 407.975 2.821 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCC[C@@H]4COc4ccccn4)C3)n2)CC1 ZINC001164735818 720539358 /nfs/dbraw/zinc/53/93/58/720539358.db2.gz RUPHJUYAPSJHCI-HYBUGGRVSA-N 1 0 423.561 2.683 20 0 HFADRO COC(=O)c1cc(Cl)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1C ZINC001164743024 720592912 /nfs/dbraw/zinc/59/29/12/720592912.db2.gz OBJSFAWTVKZOFW-UHFFFAOYSA-N 1 0 403.914 2.685 20 0 HFADRO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843125 720603370 /nfs/dbraw/zinc/60/33/70/720603370.db2.gz WMUDOBWSZRNMLA-QKNQBKEWSA-N 1 0 410.566 2.796 20 0 HFADRO CC(C)n1cnc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc21 ZINC001164837227 720607595 /nfs/dbraw/zinc/60/75/95/720607595.db2.gz HRGKTIIXEKXQEJ-WSTZPKSXSA-N 1 0 408.554 2.982 20 0 HFADRO Cc1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164740081 720666063 /nfs/dbraw/zinc/66/60/63/720666063.db2.gz PPCKHFBNVAJARI-STQMWFEESA-N 1 0 402.911 2.785 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)CCCCC2 ZINC001164740629 720687325 /nfs/dbraw/zinc/68/73/25/720687325.db2.gz REFJJAXGGDAHKR-LSDHHAIUSA-N 1 0 400.914 2.531 20 0 HFADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)C1 ZINC001164738526 720691832 /nfs/dbraw/zinc/69/18/32/720691832.db2.gz KJAOLLURKSPJHH-PMPSAXMXSA-N 1 0 422.558 2.948 20 0 HFADRO COCc1nc(OC)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837656 720725842 /nfs/dbraw/zinc/72/58/42/720725842.db2.gz FULAGWVFOLONTJ-LJQANCHMSA-N 1 0 412.534 2.892 20 0 HFADRO Clc1cc(Cc2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743493 720739331 /nfs/dbraw/zinc/73/93/31/720739331.db2.gz QMQGGYAPOSSDTC-RBUKOAKNSA-N 1 0 422.920 2.853 20 0 HFADRO CC(C)n1ccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741473 720749827 /nfs/dbraw/zinc/74/98/27/720749827.db2.gz MRVWXMIDTUCESH-CABCVRRESA-N 1 0 413.913 2.798 20 0 HFADRO CCc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164738041 720780803 /nfs/dbraw/zinc/78/08/03/720780803.db2.gz DOLQXZACYIMAPQ-WOJBJXKFSA-N 1 0 402.502 2.838 20 0 HFADRO c1ccc(SCc2nccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164749816 720802177 /nfs/dbraw/zinc/80/21/77/720802177.db2.gz UOQVMYZWOQSLHL-ZWKOTPCHSA-N 1 0 420.542 2.901 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741347 720808004 /nfs/dbraw/zinc/80/80/04/720808004.db2.gz BBDKKKHJGGEDQR-SLFFLAALSA-N 1 0 410.570 2.576 20 0 HFADRO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748269 720808890 /nfs/dbraw/zinc/80/88/90/720808890.db2.gz QFOGFWFBJYYLQA-HRCADAONSA-N 1 0 423.899 2.646 20 0 HFADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164743365 720809737 /nfs/dbraw/zinc/80/97/37/720809737.db2.gz FQUFLADRYJMKPI-IRFCIJBXSA-N 1 0 424.549 2.538 20 0 HFADRO Cc1csc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164744897 720809904 /nfs/dbraw/zinc/80/99/04/720809904.db2.gz JLIZYSPLFWUCOR-KZNAEPCWSA-N 1 0 409.563 2.971 20 0 HFADRO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164747762 720813402 /nfs/dbraw/zinc/81/34/02/720813402.db2.gz PHHKMSUZXOPRMH-SQWLQELKSA-N 1 0 408.337 2.754 20 0 HFADRO Clc1nc2ncccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164738002 720816426 /nfs/dbraw/zinc/81/64/26/720816426.db2.gz DHYDRHWPOWUTLL-JFIYKMOQSA-N 1 0 424.940 2.649 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740295 720818474 /nfs/dbraw/zinc/81/84/74/720818474.db2.gz KBGWWJFCCMEIHB-DBXWQHBBSA-N 1 0 419.533 2.609 20 0 HFADRO Cc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164741434 720818983 /nfs/dbraw/zinc/81/89/83/720818983.db2.gz NVPJCHBXBYKRRT-NNMXDRDESA-N 1 0 403.534 2.909 20 0 HFADRO Fc1cccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744113 720824906 /nfs/dbraw/zinc/82/49/06/720824906.db2.gz UFOZGCJJKCGVEA-FUHIMQAGSA-N 1 0 407.497 2.740 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743992 720828481 /nfs/dbraw/zinc/82/84/81/720828481.db2.gz TVUZPRUGUUMLSG-JBYIUTFZSA-N 1 0 419.533 2.609 20 0 HFADRO COc1ccc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746749 720829350 /nfs/dbraw/zinc/82/93/50/720829350.db2.gz YTZZNGVYZJXHDE-XYJFISCASA-N 1 0 402.930 2.715 20 0 HFADRO Clc1cc(C2CC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740735 720830813 /nfs/dbraw/zinc/83/08/13/720830813.db2.gz LCYMJTTVWCPFBO-JENIJYKNSA-N 1 0 413.957 2.978 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C ZINC001164739530 720832333 /nfs/dbraw/zinc/83/23/33/720832333.db2.gz AZFAVATVKOILMC-IRFCIJBXSA-N 1 0 424.549 2.538 20 0 HFADRO Fc1ccc2cnnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164751902 720832427 /nfs/dbraw/zinc/83/24/27/720832427.db2.gz ZMJMBDZLGBXYGD-YFVAEKQCSA-N 1 0 407.497 2.740 20 0 HFADRO Fc1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164749407 720832916 /nfs/dbraw/zinc/83/29/16/720832916.db2.gz VTQLIFZSEYGIGP-MBOZVWFJSA-N 1 0 407.497 2.740 20 0 HFADRO COc1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739337 720833100 /nfs/dbraw/zinc/83/31/00/720833100.db2.gz AAVBSKWGVRNVOJ-GVDBMIGSSA-N 1 0 402.930 2.715 20 0 HFADRO CCCSc1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164741927 720851041 /nfs/dbraw/zinc/85/10/41/720851041.db2.gz FYHQKDDLORPSKP-GBESFXJTSA-N 1 0 413.595 2.950 20 0 HFADRO c1coc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)c1 ZINC001164751130 720851801 /nfs/dbraw/zinc/85/18/01/720851801.db2.gz QGEYEIJNTXMTHY-QWFCFKBJSA-N 1 0 405.506 2.708 20 0 HFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748128 720852167 /nfs/dbraw/zinc/85/21/67/720852167.db2.gz KJLRMVUCPRBVCR-RZUBCFFCSA-N 1 0 416.533 2.510 20 0 HFADRO C[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2C1 ZINC001164744603 720855430 /nfs/dbraw/zinc/85/54/30/720855430.db2.gz BXHNMKGDZCURLB-CJXUKZFBSA-N 1 0 407.566 2.572 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cncc(Oc4cccc(F)c4)n3)CC[C@H]2C1 ZINC001164851552 720866252 /nfs/dbraw/zinc/86/62/52/720866252.db2.gz AVXPYKVBEINSJQ-QFBILLFUSA-N 1 0 402.470 2.582 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nccc(Oc4cccc(F)c4)n3)CC[C@H]2C1 ZINC001164854532 720869375 /nfs/dbraw/zinc/86/93/75/720869375.db2.gz KJQIJAOYARURGI-LPHOPBHVSA-N 1 0 402.470 2.582 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC[C@H]2C1 ZINC001164859501 720869888 /nfs/dbraw/zinc/86/98/88/720869888.db2.gz UDRGOAXXCBEGIJ-LSDHHAIUSA-N 1 0 414.884 2.935 20 0 HFADRO COc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164752203 720873302 /nfs/dbraw/zinc/87/33/02/720873302.db2.gz MACFQAODVGTOEK-OFNKIYASSA-N 1 0 409.534 2.635 20 0 HFADRO CN(C)c1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753315 720873939 /nfs/dbraw/zinc/87/39/39/720873939.db2.gz OZJXGRMOWVZCSI-URXFXBBRSA-N 1 0 422.577 2.693 20 0 HFADRO COc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747255 720877009 /nfs/dbraw/zinc/87/70/09/720877009.db2.gz AXYMUADAKMDMTL-OFNKIYASSA-N 1 0 409.534 2.635 20 0 HFADRO COc1cncc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747257 720877347 /nfs/dbraw/zinc/87/73/47/720877347.db2.gz AXYMUADAKMDMTL-REWPJTCUSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)CC[C@@H]2C1 ZINC001164865242 720886198 /nfs/dbraw/zinc/88/61/98/720886198.db2.gz ZCQSGXVTWNXMCQ-MSOLQXFVSA-N 1 0 417.941 2.674 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C)c(-c4ccccc4F)n3)CC[C@H]2C1 ZINC001164857446 720888768 /nfs/dbraw/zinc/88/87/68/720888768.db2.gz JRYPARYJKZXBBN-PXNSSMCTSA-N 1 0 400.498 2.765 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@@H]2C1 ZINC001164856911 720893254 /nfs/dbraw/zinc/89/32/54/720893254.db2.gz HYCCGMIYTUZOHP-KDOFPFPSSA-N 1 0 415.912 2.942 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2CO[C@@H](CNC(=O)c3ccno3)[C@@H]2C1 ZINC001164859137 720914763 /nfs/dbraw/zinc/91/47/63/720914763.db2.gz OZAVSSRIDUXKDV-UNEWFSDZSA-N 1 0 404.898 2.725 20 0 HFADRO CCOc1ccc(C(=O)OC)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863536 720971452 /nfs/dbraw/zinc/97/14/52/720971452.db2.gz WBERKGWTCDHROO-OAHLLOKOSA-N 1 0 401.511 2.885 20 0 HFADRO CCOC(=O)c1cnc(Cl)cc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773495 721073252 /nfs/dbraw/zinc/07/32/52/721073252.db2.gz XJMRZGPHBCQVPV-HZPDHXFCSA-N 1 0 403.914 2.604 20 0 HFADRO COC(=O)c1ccc2c(ccnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866372 721076308 /nfs/dbraw/zinc/07/63/08/721076308.db2.gz SVVKXAPECARKES-RTWAWAEBSA-N 1 0 418.497 2.896 20 0 HFADRO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773481 721078333 /nfs/dbraw/zinc/07/83/33/721078333.db2.gz XJMAVXDKLKHMII-DLBZAZTESA-N 1 0 417.941 2.912 20 0 HFADRO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773486 721078499 /nfs/dbraw/zinc/07/84/99/721078499.db2.gz XJMAVXDKLKHMII-IRXDYDNUSA-N 1 0 417.941 2.912 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)NC4CCCCC4)C[C@@H]3C2)cn1 ZINC001164761066 721083485 /nfs/dbraw/zinc/08/34/85/721083485.db2.gz AOILROVWJLRRHZ-PMACEKPBSA-N 1 0 422.577 2.836 20 0 HFADRO COc1cc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(Cl)n1 ZINC001164772022 721084920 /nfs/dbraw/zinc/08/49/20/721084920.db2.gz SXBISRLBIHNUAK-LSDHHAIUSA-N 1 0 411.884 2.980 20 0 HFADRO c1ccc(COc2cnnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)cc1 ZINC001164864835 721102073 /nfs/dbraw/zinc/10/20/73/721102073.db2.gz GSBWWHNFGNWDEB-FYYLOGMGSA-N 1 0 417.513 2.930 20 0 HFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc(C)c2c1 ZINC001164864665 721102977 /nfs/dbraw/zinc/10/29/77/721102977.db2.gz GNUDMWMKGFOJHW-ICSRJNTNSA-N 1 0 405.502 2.822 20 0 HFADRO COC(=O)c1ccc2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164764816 721113068 /nfs/dbraw/zinc/11/30/68/721113068.db2.gz IBXVCDASRWVIQM-PMACEKPBSA-N 1 0 405.502 2.713 20 0 HFADRO CSc1nc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164863341 721116925 /nfs/dbraw/zinc/11/69/25/721116925.db2.gz BZHHWAQQQIXZSI-HUUCEWRRSA-N 1 0 414.560 2.683 20 0 HFADRO COc1ccc(C(F)(F)N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164773724 721151463 /nfs/dbraw/zinc/15/14/63/721151463.db2.gz YUXFDCKEWWSVSA-GJZGRUSLSA-N 1 0 411.884 2.980 20 0 HFADRO CC(C)n1cnc2c1nc(Cl)nc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164763411 721171487 /nfs/dbraw/zinc/17/14/87/721171487.db2.gz FVHHGPSHEUJJBL-JKSUJKDBSA-N 1 0 414.945 2.752 20 0 HFADRO CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164774372 721179946 /nfs/dbraw/zinc/17/99/46/721179946.db2.gz YTAOVMDRVMRVRI-LEWJYISDSA-N 1 0 417.561 2.901 20 0 HFADRO CCCSc1ncnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1OC ZINC001164866455 721189065 /nfs/dbraw/zinc/18/90/65/721189065.db2.gz ASRWUTOCDKSWDX-ROUUACIJSA-N 1 0 415.563 2.862 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5nc4N4CCCC4)C[C@@H]3C2)cn1 ZINC001164774383 721190064 /nfs/dbraw/zinc/19/00/64/721190064.db2.gz YTENAAAQOKBASX-PMACEKPBSA-N 1 0 417.561 2.922 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001164870754 721217337 /nfs/dbraw/zinc/21/73/37/721217337.db2.gz HNSJMAIKESICEZ-KKSFZXQISA-N 1 0 415.925 2.814 20 0 HFADRO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)s1 ZINC001164761885 721229020 /nfs/dbraw/zinc/22/90/20/721229020.db2.gz JSAONBFECJYINF-ZWKOTPCHSA-N 1 0 409.563 2.909 20 0 HFADRO COc1cc2nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164768082 721234227 /nfs/dbraw/zinc/23/42/27/721234227.db2.gz XVZICBHFMKWMEA-QZTJIDSGSA-N 1 0 407.518 2.944 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)C[C@@H]3C2)cn1 ZINC001164759523 721239067 /nfs/dbraw/zinc/23/90/67/721239067.db2.gz ARTCWASUJRNOKV-ROUUACIJSA-N 1 0 409.925 2.884 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)nc4ccccc43)CC2)C1 ZINC001164878282 721260984 /nfs/dbraw/zinc/26/09/84/721260984.db2.gz UDWGKABPGXTTDU-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO Cc1c[nH]c2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c12 ZINC001164778422 721330607 /nfs/dbraw/zinc/33/06/07/721330607.db2.gz WEMZWTZFTUXMKZ-JOCHJYFZSA-N 1 0 410.522 2.990 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4c3CCC4)C2)C1 ZINC001164779928 721362219 /nfs/dbraw/zinc/36/22/19/721362219.db2.gz ASMKHBCGAZCNGF-HSZRJFAPSA-N 1 0 411.550 2.998 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1 ZINC001164886787 721373784 /nfs/dbraw/zinc/37/37/84/721373784.db2.gz NXGHNHVKKFEKMS-NZQKXSOJSA-N 1 0 408.550 2.995 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccccc5)nn4)C3)O2)CC1 ZINC001164889208 721391880 /nfs/dbraw/zinc/39/18/80/721391880.db2.gz KXLOLHOPNWCCHS-ZJSXRUAMSA-N 1 0 407.562 2.909 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164884003 721407084 /nfs/dbraw/zinc/40/70/84/721407084.db2.gz CUCRECPWUKMOAD-KSSFIOAISA-N 1 0 400.354 2.549 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN([C@H](F)Oc4ccc(Cl)nc4)C3)O2)CC1 ZINC001164883900 721411379 /nfs/dbraw/zinc/41/13/79/721411379.db2.gz CLLCQBKQQKFCMI-IHPCNDPISA-N 1 0 412.937 2.628 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5ncsc54)C3)O2)CC1 ZINC001164886559 721413326 /nfs/dbraw/zinc/41/33/26/721413326.db2.gz JXJOEVZWTHZOTG-LIRRHRJNSA-N 1 0 422.986 2.505 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895783 721431083 /nfs/dbraw/zinc/43/10/83/721431083.db2.gz PLILZNPFQGAQJK-KXBFYZLASA-N 1 0 412.003 2.617 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(COC)nc(C)n1)CC2 ZINC001164783697 721457853 /nfs/dbraw/zinc/45/78/53/721457853.db2.gz FNIYVJGNMHAGKP-OAQYLSRUSA-N 1 0 418.582 2.665 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(SC)cn1)CC2 ZINC001164790070 721461781 /nfs/dbraw/zinc/46/17/81/721461781.db2.gz ZKSBEEKDZOGZOR-SFHVURJKSA-N 1 0 406.596 2.932 20 0 HFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793165 721491524 /nfs/dbraw/zinc/49/15/24/721491524.db2.gz OIFOZHYPYJTJFH-UHFFFAOYSA-N 1 0 420.517 2.972 20 0 HFADRO CCOC(=O)Cc1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc1 ZINC001164793029 721496821 /nfs/dbraw/zinc/49/68/21/721496821.db2.gz ZWNTVQVHNPIMRL-UHFFFAOYSA-N 1 0 409.534 2.858 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4cccc(Cl)c4)nn2)CC3)CC1 ZINC001164798234 721519230 /nfs/dbraw/zinc/51/92/30/721519230.db2.gz QBCHUPUUOPJIFT-UHFFFAOYSA-N 1 0 423.952 2.761 20 0 HFADRO CC(C)c1ccc2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164798253 721519300 /nfs/dbraw/zinc/51/93/00/721519300.db2.gz RBBMJWSJNJYBPK-UHFFFAOYSA-N 1 0 405.550 2.717 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164912352 721532623 /nfs/dbraw/zinc/53/26/23/721532623.db2.gz YZUWCPSIEGBXOX-WMZOPIPTSA-N 1 0 413.497 2.942 20 0 HFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncc5ncnc(Cl)c5n4)CC[N@@H+]3C2)c1 ZINC001164910235 721545101 /nfs/dbraw/zinc/54/51/01/721545101.db2.gz TVTXTXYRQDWBPX-ZFWWWQNUSA-N 1 0 400.845 2.554 20 0 HFADRO NC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164904652 721557759 /nfs/dbraw/zinc/55/77/59/721557759.db2.gz FBIKUPNDWSYHSJ-IEBWSBKVSA-N 1 0 406.461 2.815 20 0 HFADRO CCOC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1C ZINC001164801808 721559362 /nfs/dbraw/zinc/55/93/62/721559362.db2.gz HHNVYNMBASBMBY-RZUBCFFCSA-N 1 0 410.518 2.830 20 0 HFADRO COC(OC)c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164807308 721570466 /nfs/dbraw/zinc/57/04/66/721570466.db2.gz SOYSFHUCQNFGCV-PCCBWWKXSA-N 1 0 412.534 2.945 20 0 HFADRO COc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905990 721695228 /nfs/dbraw/zinc/69/52/28/721695228.db2.gz KUGXCNUGVRWJDS-KRWDZBQOSA-N 1 0 410.856 2.666 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3cccnc3)nc3c2CCC3)CC1 ZINC001165012482 721748213 /nfs/dbraw/zinc/74/82/13/721748213.db2.gz JDGZLLWXVXRMPU-UHFFFAOYSA-N 1 0 420.561 2.550 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001165016493 721778669 /nfs/dbraw/zinc/77/86/69/721778669.db2.gz CYFUICSVEJFDGG-LAUBAEHRSA-N 1 0 407.942 2.700 20 0 HFADRO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001165015913 721781889 /nfs/dbraw/zinc/78/18/89/721781889.db2.gz BQSSEYLBYCBMLW-QZNHQXDQSA-N 1 0 411.550 2.717 20 0 HFADRO C[N@H+](Cc1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)nc1)C1CC1 ZINC001165022497 721782168 /nfs/dbraw/zinc/78/21/68/721782168.db2.gz RQCJSAUWLKHLTE-XJUOHMSHSA-N 1 0 411.550 2.715 20 0 HFADRO COCCOc1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nn1 ZINC001165023184 721843990 /nfs/dbraw/zinc/84/39/90/721843990.db2.gz YKALZEJBWAOIJS-UHFFFAOYSA-N 1 0 416.522 2.620 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164927092 721869872 /nfs/dbraw/zinc/86/98/72/721869872.db2.gz UOKCTSMXNPYEPB-CVEARBPZSA-N 1 0 406.893 2.671 20 0 HFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2c1 ZINC001164921919 721876442 /nfs/dbraw/zinc/87/64/42/721876442.db2.gz DUFCNIDZVGXXHB-MSOLQXFVSA-N 1 0 417.941 2.675 20 0 HFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2c1 ZINC001164921922 721876505 /nfs/dbraw/zinc/87/65/05/721876505.db2.gz DUFCNIDZVGXXHB-ZWKOTPCHSA-N 1 0 417.941 2.675 20 0 HFADRO Clc1nc(Cl)c2nc(Cl)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2n1 ZINC001165038151 721905342 /nfs/dbraw/zinc/90/53/42/721905342.db2.gz KIUUBFWRADSWFT-VIFPVBQESA-N 1 0 403.701 2.681 20 0 HFADRO Cc1sc2nc(CN3CCOCC3)nc(N(C)CC3CC[NH+](C)CC3)c2c1C ZINC000301207276 721937031 /nfs/dbraw/zinc/93/70/31/721937031.db2.gz SBZGDQHLNQMHTJ-UHFFFAOYSA-N 1 0 403.596 2.918 20 0 HFADRO CN(C)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963962 722056852 /nfs/dbraw/zinc/05/68/52/722056852.db2.gz PZMGTMJZHBLICE-UHFFFAOYSA-N 1 0 416.957 2.710 20 0 HFADRO CCN(CC)c1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963309 722058102 /nfs/dbraw/zinc/05/81/02/722058102.db2.gz WLMZMYRULRABOD-UHFFFAOYSA-N 1 0 410.566 2.837 20 0 HFADRO Cc1noc(-c2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2)n1 ZINC001164960730 722060492 /nfs/dbraw/zinc/06/04/92/722060492.db2.gz JUHKCFXFFIPRSE-UHFFFAOYSA-N 1 0 420.517 2.954 20 0 HFADRO Fc1cccc(Oc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)c1 ZINC001164966634 722073477 /nfs/dbraw/zinc/07/34/77/722073477.db2.gz DYJFJOKRDABSOO-IYBDPMFKSA-N 1 0 405.861 2.756 20 0 HFADRO COc1ccc(Cc2c(C)nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2C)cc1 ZINC001164967479 722077095 /nfs/dbraw/zinc/07/70/95/722077095.db2.gz GGCYBOHJZQKENA-SZPZYZBQSA-N 1 0 408.546 2.992 20 0 HFADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)c1 ZINC001164969489 722082548 /nfs/dbraw/zinc/08/25/48/722082548.db2.gz OQXNGCLIPXDHKA-LEWJYISDSA-N 1 0 412.509 2.536 20 0 HFADRO CS(=O)(=O)N1C[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2c2ccccc21 ZINC001164972865 722090609 /nfs/dbraw/zinc/09/06/09/722090609.db2.gz ITYBMOWXECFMPX-ICSRJNTNSA-N 1 0 412.559 2.677 20 0 HFADRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1NCC1CC1 ZINC001164986228 722098829 /nfs/dbraw/zinc/09/88/29/722098829.db2.gz YLZKCBYQBJTRAY-RTWAWAEBSA-N 1 0 408.550 2.729 20 0 HFADRO CCOC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164986191 722099682 /nfs/dbraw/zinc/09/96/82/722099682.db2.gz YIPGDWLPYBODGF-FPOVZHCZSA-N 1 0 410.518 2.689 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@@H]3C2)c1 ZINC001164984061 722099724 /nfs/dbraw/zinc/09/97/24/722099724.db2.gz ROUQWTURJZFLBU-RTWAWAEBSA-N 1 0 408.550 2.589 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977209 722100542 /nfs/dbraw/zinc/10/05/42/722100542.db2.gz FBCNYVLHVSKFNZ-JKSUJKDBSA-N 1 0 405.955 2.974 20 0 HFADRO COC(=O)c1c(Cl)ccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984742 722102490 /nfs/dbraw/zinc/10/24/90/722102490.db2.gz UKTGVCLERJOSST-AEFFLSMTSA-N 1 0 416.909 2.644 20 0 HFADRO FC(F)(c1cnc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985876 722105726 /nfs/dbraw/zinc/10/57/26/722105726.db2.gz XJVYRSQUZYOIPP-DOTOQJQBSA-N 1 0 409.868 2.797 20 0 HFADRO COc1cccc2c1ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985180 722106030 /nfs/dbraw/zinc/10/60/30/722106030.db2.gz VGQFSGKPAWTERB-GHTZIAJQSA-N 1 0 405.502 2.761 20 0 HFADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)SCC2 ZINC001164976612 722110819 /nfs/dbraw/zinc/11/08/19/722110819.db2.gz LYHOFNCVLJYYQA-DOTOQJQBSA-N 1 0 417.966 2.901 20 0 HFADRO COc1cc2c(cc1F)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983873 722129543 /nfs/dbraw/zinc/12/95/43/722129543.db2.gz VWUFVAXQWCVHQS-VGOFRKELSA-N 1 0 423.492 2.900 20 0 HFADRO Nc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164977085 722137234 /nfs/dbraw/zinc/13/72/34/722137234.db2.gz IRGFRKYUHYXBRT-QAPCUYQASA-N 1 0 423.895 2.984 20 0 HFADRO C[C@@H]1CCCN(c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)C1 ZINC001164985419 722149426 /nfs/dbraw/zinc/14/94/26/722149426.db2.gz ZJOGRMGSFGLOTA-HJNYFJLDSA-N 1 0 422.577 2.835 20 0 HFADRO c1csc(-c2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164972167 722157065 /nfs/dbraw/zinc/15/70/65/722157065.db2.gz GIWOWWJPKHJKLN-QZTJIDSGSA-N 1 0 408.531 2.722 20 0 HFADRO C[NH+]1CCN(c2ccc(N3CCC[C@]4(C[C@@H](OCC5CCCC5)CO4)C3)nn2)CC1 ZINC001164975961 722163648 /nfs/dbraw/zinc/16/36/48/722163648.db2.gz ASCWMDMUIPVCBS-OFNKIYASSA-N 1 0 415.582 2.563 20 0 HFADRO C[NH+]1CCN(c2ccc(N3C[C@H]4[C@H](C3)c3ccccc3[C@H]4OCC3CC3)nn2)CC1 ZINC001164979670 722170414 /nfs/dbraw/zinc/17/04/14/722170414.db2.gz VKDFPLGQNIAHQQ-ZFGGDYGUSA-N 1 0 405.546 2.930 20 0 HFADRO CCNS(=O)(=O)c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164994405 722207443 /nfs/dbraw/zinc/20/74/43/722207443.db2.gz GEMFNVMCUVUTQO-NRFANRHFSA-N 1 0 418.538 2.764 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1CCCC3)CCC2 ZINC001164999836 722251848 /nfs/dbraw/zinc/25/18/48/722251848.db2.gz GVAHANDTRMLQIS-UHFFFAOYSA-N 1 0 404.946 2.694 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1CSC3)CCC2 ZINC001165000347 722252252 /nfs/dbraw/zinc/25/22/52/722252252.db2.gz OQPFWTWDWBMGMB-UHFFFAOYSA-N 1 0 408.959 2.562 20 0 HFADRO COc1cccc(-c2ccnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)c1 ZINC001165002586 722255204 /nfs/dbraw/zinc/25/52/04/722255204.db2.gz QXXJMJGSAZGKBJ-UHFFFAOYSA-N 1 0 422.533 2.837 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)Oc1ccnc(Cl)c1)CCC2 ZINC001165003804 722257852 /nfs/dbraw/zinc/25/78/52/722257852.db2.gz ICEKJIFBACWJAO-UHFFFAOYSA-N 1 0 415.872 2.845 20 0 HFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000790464325 1078044593 /nfs/dbraw/zinc/04/45/93/1078044593.db2.gz SVRPATUMUCNJEL-SREVYHEPSA-N 1 0 417.554 2.949 20 0 HFADRO COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000790501012 1078046094 /nfs/dbraw/zinc/04/60/94/1078046094.db2.gz DNBFGJNNINMEAO-PKOBYXMFSA-N 1 0 420.554 2.635 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)CCC1 ZINC000793066097 1078061089 /nfs/dbraw/zinc/06/10/89/1078061089.db2.gz KQEBSWAQXKIADU-LJQANCHMSA-N 1 0 402.539 2.819 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CC(c4cccnc4)=NO3)cc2F)CC1 ZINC000790583003 1078061628 /nfs/dbraw/zinc/06/16/28/1078061628.db2.gz YCWGGBVJSQCFTD-NRFANRHFSA-N 1 0 411.481 2.883 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCSC1 ZINC000793079464 1078063662 /nfs/dbraw/zinc/06/36/62/1078063662.db2.gz XVOBONNNBWKINO-RTWAWAEBSA-N 1 0 420.579 2.524 20 0 HFADRO C[C@H]1CN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC2(CCOCC2)O1 ZINC000790603085 1078064887 /nfs/dbraw/zinc/06/48/87/1078064887.db2.gz HGDMCXFOVCOKBQ-SFHVURJKSA-N 1 0 403.592 2.795 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000793130246 1078073237 /nfs/dbraw/zinc/07/32/37/1078073237.db2.gz CEFCZFQBFPGOOU-NSISKUIASA-N 1 0 410.518 2.569 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000793130247 1078073476 /nfs/dbraw/zinc/07/34/76/1078073476.db2.gz CEFCZFQBFPGOOU-UXPWSPDFSA-N 1 0 410.518 2.569 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)C1=O ZINC000790612821 1078076219 /nfs/dbraw/zinc/07/62/19/1078076219.db2.gz YSBNTFUHEXINJW-GOSISDBHSA-N 1 0 407.396 2.943 20 0 HFADRO CC(=O)N1CCCN(c2ccc(F)cc2NC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000790613649 1078076395 /nfs/dbraw/zinc/07/63/95/1078076395.db2.gz QUTVOMANKSEYEP-UHFFFAOYSA-N 1 0 423.602 2.759 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccnn2C2CCCCC2)cc1 ZINC000793108076 1078080856 /nfs/dbraw/zinc/08/08/56/1078080856.db2.gz FJANHDKVSGEOSG-IBGZPJMESA-N 1 0 413.522 2.755 20 0 HFADRO O=C(OC[C@H]1CCCC[N@@H+]1CCCON1C(=O)c2ccccc2C1=O)N1CCCC1 ZINC001170141857 1078083729 /nfs/dbraw/zinc/08/37/29/1078083729.db2.gz WRZMTFIDHAHURL-QGZVFWFLSA-N 1 0 415.490 2.691 20 0 HFADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)cn2)CC1 ZINC000790667537 1078084574 /nfs/dbraw/zinc/08/45/74/1078084574.db2.gz NYLULVGFNQFLRR-MAUKXSAKSA-N 1 0 412.365 2.559 20 0 HFADRO Cc1ccc(CN2CC[C@@H](NC(=O)N(CCc3ccccc3)CC[NH+](C)C)C2=O)cc1 ZINC000790696437 1078098698 /nfs/dbraw/zinc/09/86/98/1078098698.db2.gz JFQBGHWIRIDLSH-HSZRJFAPSA-N 1 0 422.573 2.912 20 0 HFADRO Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000790707702 1078102619 /nfs/dbraw/zinc/10/26/19/1078102619.db2.gz CILNEJSWPYMWBZ-ZWKOTPCHSA-N 1 0 406.958 2.733 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cs1 ZINC000793289746 1078119161 /nfs/dbraw/zinc/11/91/61/1078119161.db2.gz CYIHRPHWUXMHAB-HNNXBMFYSA-N 1 0 408.568 2.911 20 0 HFADRO CN(CCC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(=O)OCc1ccccc1 ZINC000793290925 1078119541 /nfs/dbraw/zinc/11/95/41/1078119541.db2.gz JIRZTMKVYRHUDN-UHFFFAOYSA-N 1 0 417.550 2.606 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000793290454 1078119559 /nfs/dbraw/zinc/11/95/59/1078119559.db2.gz HMRQJOBXOMETCB-PCCBWWKXSA-N 1 0 422.529 2.665 20 0 HFADRO O=C(NC[C@H]1CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1)OCc1ccccc1 ZINC000793298148 1078121971 /nfs/dbraw/zinc/12/19/71/1078121971.db2.gz KOUMXKDFLZKJQZ-LJQANCHMSA-N 1 0 421.497 2.921 20 0 HFADRO C[C@@H](CNC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000790769944 1078128495 /nfs/dbraw/zinc/12/84/95/1078128495.db2.gz MDIJIWHGWIFCIV-ULQDDVLXSA-N 1 0 400.539 2.850 20 0 HFADRO C[C@@]1([NH2+]Cc2cnc(N3CCOCC3)s2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793344685 1078131547 /nfs/dbraw/zinc/13/15/47/1078131547.db2.gz VBBPTOYUCTZFGM-OAQYLSRUSA-N 1 0 416.547 2.871 20 0 HFADRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790801005 1078139147 /nfs/dbraw/zinc/13/91/47/1078139147.db2.gz SIXMPUYMLVCROI-PZJWPPBQSA-N 1 0 416.485 2.857 20 0 HFADRO C[C@@H](CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)NC(=O)OC(C)(C)C ZINC000790847174 1078146760 /nfs/dbraw/zinc/14/67/60/1078146760.db2.gz JZRNMXKFUNGLGL-INIZCTEOSA-N 1 0 420.554 2.872 20 0 HFADRO CC(C)([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)C(=O)N1CCCC1 ZINC000793397516 1078166425 /nfs/dbraw/zinc/16/64/25/1078166425.db2.gz YYQKOCGEOQRJFH-UHFFFAOYSA-N 1 0 409.958 2.542 20 0 HFADRO CC[NH+](CC)CCOc1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000790893238 1078174105 /nfs/dbraw/zinc/17/41/05/1078174105.db2.gz VIOUDXUSLDEIRF-QHCPKHFHSA-N 1 0 424.501 2.519 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793461499 1078179660 /nfs/dbraw/zinc/17/96/60/1078179660.db2.gz MSANYENRZRTWBS-UFYCRDLUSA-N 1 0 422.614 2.651 20 0 HFADRO O=C(Nc1cccc(N2CCC2=O)c1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000790919106 1078183428 /nfs/dbraw/zinc/18/34/28/1078183428.db2.gz IFMSDVHNHLAZON-UHFFFAOYSA-N 1 0 412.534 2.523 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000793459718 1078193288 /nfs/dbraw/zinc/19/32/88/1078193288.db2.gz QTFOVYOKSYXTJB-NJYVYQBISA-N 1 0 422.529 2.665 20 0 HFADRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000793519132 1078197944 /nfs/dbraw/zinc/19/79/44/1078197944.db2.gz BHCSRFLLCWLOJT-NSISKUIASA-N 1 0 417.550 2.856 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1 ZINC000793521506 1078198565 /nfs/dbraw/zinc/19/85/65/1078198565.db2.gz YHPZIOLNSYLJJT-GOTSBHOMSA-N 1 0 409.530 2.950 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C[C@@H]1C ZINC000793550287 1078208053 /nfs/dbraw/zinc/20/80/53/1078208053.db2.gz AGSDKFIBQDQJFX-LRGNLBRXSA-N 1 0 424.545 2.910 20 0 HFADRO C[NH+](C)CCN(C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C1CCCC1 ZINC000793498961 1078203314 /nfs/dbraw/zinc/20/33/14/1078203314.db2.gz QHUMGNJLERROTO-NHCUHLMSSA-N 1 0 424.545 2.911 20 0 HFADRO COc1ncc([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1Cl ZINC000793543465 1078207236 /nfs/dbraw/zinc/20/72/36/1078207236.db2.gz UQBKJLMAUFVMMK-SNVBAGLBSA-N 1 0 415.865 2.956 20 0 HFADRO C[C@H](CCC(C)(C)C)[NH2+]CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000793543588 1078207243 /nfs/dbraw/zinc/20/72/43/1078207243.db2.gz AWYBTXPBFCRCOT-OAHLLOKOSA-N 1 0 420.597 2.595 20 0 HFADRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000793566957 1078211614 /nfs/dbraw/zinc/21/16/14/1078211614.db2.gz GONBZYCYYBLNPH-IVZQSRNASA-N 1 0 400.523 2.648 20 0 HFADRO COc1cc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)ccc1S(=O)(=O)C(F)F ZINC000793570202 1078212171 /nfs/dbraw/zinc/21/21/71/1078212171.db2.gz PGMCPHGRJIXNML-GHJWDPDVSA-N 1 0 409.495 2.500 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000793598348 1078219234 /nfs/dbraw/zinc/21/92/34/1078219234.db2.gz CPIMZKNBTQKLJC-GBESFXJTSA-N 1 0 411.587 2.981 20 0 HFADRO COC(=O)c1ccccc1CC1CC[NH+](CN2CCC3(CCOCC3)C2=O)CC1 ZINC000793607319 1078223486 /nfs/dbraw/zinc/22/34/86/1078223486.db2.gz OYWRBJOZDVGLAN-UHFFFAOYSA-N 1 0 400.519 2.714 20 0 HFADRO CC[N@H+](CCC1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC1)CC(C)C ZINC000793629554 1078233583 /nfs/dbraw/zinc/23/35/83/1078233583.db2.gz IPZCUIOHORKNNW-LJQANCHMSA-N 1 0 417.594 2.963 20 0 HFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793635950 1078236275 /nfs/dbraw/zinc/23/62/75/1078236275.db2.gz JDFCQCIIYDOGIB-UGKGYDQZSA-N 1 0 423.557 2.727 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000793641259 1078238503 /nfs/dbraw/zinc/23/85/03/1078238503.db2.gz WKZBSYLKTIUFCI-MSYCTHLASA-N 1 0 423.557 2.868 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)[NH+]2CCCC2)cc1 ZINC000793643447 1078239665 /nfs/dbraw/zinc/23/96/65/1078239665.db2.gz MPSIQXROPDGICV-PGRDOPGGSA-N 1 0 409.530 2.618 20 0 HFADRO CC[N@H+](CCC1CCN(C(=O)C(=O)NCc2ccc([C@H](C)O)cc2)CC1)CC1CC1 ZINC000793655243 1078242021 /nfs/dbraw/zinc/24/20/21/1078242021.db2.gz VFCAYBHBJHMXRC-SFHVURJKSA-N 1 0 415.578 2.717 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000793683241 1078253413 /nfs/dbraw/zinc/25/34/13/1078253413.db2.gz BWBWROIILMEHLD-HSALFYBXSA-N 1 0 401.551 2.683 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000793685990 1078256092 /nfs/dbraw/zinc/25/60/92/1078256092.db2.gz JDGLJFRDGYJBNQ-XEVCZEQESA-N 1 0 401.551 2.729 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000793714576 1078262675 /nfs/dbraw/zinc/26/26/75/1078262675.db2.gz PRPKCAUTHJUTQX-CYFREDJKSA-N 1 0 409.530 2.599 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(CCc1ccccc1)Cc1cccnc1)[NH+]1CCCCC1 ZINC000793720718 1078265421 /nfs/dbraw/zinc/26/54/21/1078265421.db2.gz HHXTXZBSSUPKBJ-HXUWFJFHSA-N 1 0 408.546 2.644 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)[NH+]1CCCCC1 ZINC000793729452 1078268881 /nfs/dbraw/zinc/26/88/81/1078268881.db2.gz WPDBAEALJQVMNZ-OAHLLOKOSA-N 1 0 422.367 2.588 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[NH+]1CCCCC1 ZINC000793694786 1078271219 /nfs/dbraw/zinc/27/12/19/1078271219.db2.gz BMKXAWILDCMDJV-IAGOWNOFSA-N 1 0 414.575 2.993 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000793695676 1078271922 /nfs/dbraw/zinc/27/19/22/1078271922.db2.gz FBPGRWVAWJWAOA-UZLBHIALSA-N 1 0 421.969 2.603 20 0 HFADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@H]3N(C(=O)OC(C)(C)C)CC3(C)C)nc2)C1 ZINC000793695900 1078271936 /nfs/dbraw/zinc/27/19/36/1078271936.db2.gz BUQXRQZLADOOKC-FUHWJXTLSA-N 1 0 417.554 2.806 20 0 HFADRO Cc1ccc(C[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000793703062 1078274991 /nfs/dbraw/zinc/27/49/91/1078274991.db2.gz VXOFTQCQHKHKCA-DENIHFKCSA-N 1 0 408.546 2.781 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(Cn3nc(N4CCCCC4)n(C[C@@H]4CCCO4)c3=S)C2)C1 ZINC000793747399 1078289425 /nfs/dbraw/zinc/28/94/25/1078289425.db2.gz QXIOVMWBTDZOSG-GHTZIAJQSA-N 1 0 420.627 2.568 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@@]4(CC[N@H+](C)C4)C3)c2ccc1Br ZINC000793750897 1078291018 /nfs/dbraw/zinc/29/10/18/1078291018.db2.gz ZGHBTTILPKIUSC-GOSISDBHSA-N 1 0 407.312 2.571 20 0 HFADRO C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793780679 1078292174 /nfs/dbraw/zinc/29/21/74/1078292174.db2.gz DFILEDDVWFTBRD-FAEJEUNOSA-N 1 0 423.504 2.762 20 0 HFADRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)N2CC[C@@H](c3ccccn3)C2)c2ccccc2)CC1 ZINC000793782333 1078292584 /nfs/dbraw/zinc/29/25/84/1078292584.db2.gz GOEMRBZJNNPOCB-GGAORHGYSA-N 1 0 420.557 2.987 20 0 HFADRO Cc1cccc(OC[C@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000793797999 1078301502 /nfs/dbraw/zinc/30/15/02/1078301502.db2.gz HVUOENQAZIAPDE-CPJSRVTESA-N 1 0 423.557 2.907 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000793793535 1078298680 /nfs/dbraw/zinc/29/86/80/1078298680.db2.gz UECQYXVRJWEKRQ-GOSISDBHSA-N 1 0 401.551 2.792 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001170438546 1078322407 /nfs/dbraw/zinc/32/24/07/1078322407.db2.gz TXJQREBOZIDUJR-REWPJTCUSA-N 1 0 404.551 2.797 20 0 HFADRO O=C(CCCC[NH+]1CCCC1)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000793854234 1078324265 /nfs/dbraw/zinc/32/42/65/1078324265.db2.gz NLMSYTIIQSGSOG-UHFFFAOYSA-N 1 0 412.534 2.938 20 0 HFADRO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000772838705 1078329664 /nfs/dbraw/zinc/32/96/64/1078329664.db2.gz UVSOYYICQDQJAX-TYPHKJRUSA-N 1 0 402.922 2.763 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[N@@H+]1C ZINC000793868895 1078328538 /nfs/dbraw/zinc/32/85/38/1078328538.db2.gz GFICKWUFWPENJS-YLJYHZDGSA-N 1 0 414.594 2.668 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000793875475 1078331076 /nfs/dbraw/zinc/33/10/76/1078331076.db2.gz RLQYPXBIEAANSN-CADBVGFASA-N 1 0 411.587 2.573 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000793932473 1078341420 /nfs/dbraw/zinc/34/14/20/1078341420.db2.gz UIJSOHBOXKJXNP-DOTOQJQBSA-N 1 0 400.910 2.611 20 0 HFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000793908447 1078334548 /nfs/dbraw/zinc/33/45/48/1078334548.db2.gz IECLCTWABQQLHO-GHTZIAJQSA-N 1 0 415.578 2.585 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000793911385 1078335753 /nfs/dbraw/zinc/33/57/53/1078335753.db2.gz BBAWYBKTHODBLZ-JKIFEVAISA-N 1 0 406.596 2.818 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000793913726 1078336814 /nfs/dbraw/zinc/33/68/14/1078336814.db2.gz IWWNZYHQWGDPNN-SCTDSRPQSA-N 1 0 417.598 2.830 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000793914035 1078336907 /nfs/dbraw/zinc/33/69/07/1078336907.db2.gz SMPXBFBJRLPDKP-HDICACEKSA-N 1 0 402.583 2.632 20 0 HFADRO CC(C)(CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C[NH+]1CCCC1 ZINC000793958662 1078347509 /nfs/dbraw/zinc/34/75/09/1078347509.db2.gz HDAGKXDQFSXALX-PMACEKPBSA-N 1 0 424.545 2.817 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793940581 1078352616 /nfs/dbraw/zinc/35/26/16/1078352616.db2.gz WASIKHDWGZMDAN-SFTDATJTSA-N 1 0 424.545 2.913 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](OCCOC)[C@@H]1Cc1cnn(C)c1 ZINC001170441468 1078361094 /nfs/dbraw/zinc/36/10/94/1078361094.db2.gz HFTYPQGQIPMJLV-ACRUOGEOSA-N 1 0 415.534 2.819 20 0 HFADRO C[N@H+](CC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1)[C@@H]1CCSC1 ZINC000794047643 1078365432 /nfs/dbraw/zinc/36/54/32/1078365432.db2.gz KSCCIMUAQBYYSA-RBUKOAKNSA-N 1 0 405.564 2.589 20 0 HFADRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(N4CCOC4=O)c3)cc2)CC1 ZINC000794105381 1078372737 /nfs/dbraw/zinc/37/27/37/1078372737.db2.gz JFRSZEAAQDOCPA-UHFFFAOYSA-N 1 0 412.465 2.782 20 0 HFADRO CCNC(=O)N(C)c1cccc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC000794112768 1078373863 /nfs/dbraw/zinc/37/38/63/1078373863.db2.gz FFAJMOCZXFVSLB-UHFFFAOYSA-N 1 0 409.534 2.852 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CN(CC)C(=O)[C@@H]2COC)CC1 ZINC001170443329 1078376665 /nfs/dbraw/zinc/37/66/65/1078376665.db2.gz NQTLSXPZWLGVNU-MOPGFXCFSA-N 1 0 402.535 2.943 20 0 HFADRO CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000794146922 1078378023 /nfs/dbraw/zinc/37/80/23/1078378023.db2.gz KHFPBVFEQYVERK-QUCCMNQESA-N 1 0 415.534 2.892 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]43)cc2)CC1 ZINC000794238785 1078390290 /nfs/dbraw/zinc/39/02/90/1078390290.db2.gz MODQJTRWKTXBAB-PMOLBWCYSA-N 1 0 414.550 2.880 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3CC([NH+]4CCCCC4)C3)=NO2)CC1 ZINC000794207133 1078393361 /nfs/dbraw/zinc/39/33/61/1078393361.db2.gz UGTHZHRWYXKCMK-UHFFFAOYSA-N 1 0 420.554 2.666 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000794209312 1078393619 /nfs/dbraw/zinc/39/36/19/1078393619.db2.gz KOAVSIMBAGCHSK-UHFFFAOYSA-N 1 0 423.554 2.747 20 0 HFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000794217266 1078394966 /nfs/dbraw/zinc/39/49/66/1078394966.db2.gz HNJCGWHUGKAFNP-MRXNPFEDSA-N 1 0 413.559 2.851 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(Cn4cccn4)on3)cc2F)CC1 ZINC000794288125 1078402106 /nfs/dbraw/zinc/40/21/06/1078402106.db2.gz DAOUVCPBCVLMPX-UHFFFAOYSA-N 1 0 412.469 2.841 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000794339463 1078419819 /nfs/dbraw/zinc/41/98/19/1078419819.db2.gz NWTMBKIEMRYPPY-KRWDZBQOSA-N 1 0 404.511 2.528 20 0 HFADRO CC[N@@H+]1CCN(C(=O)C[C@@](O)(c2nc3ccccc3s2)C(F)(F)F)[C@@H](C)C1 ZINC000804379263 1078454765 /nfs/dbraw/zinc/45/47/65/1078454765.db2.gz ITKXSNGDEFMLKU-YVEFUNNKSA-N 1 0 401.454 2.989 20 0 HFADRO CC(C)Cc1ncnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1I ZINC000804396539 1078461606 /nfs/dbraw/zinc/46/16/06/1078461606.db2.gz JOIJKYYDCLHADK-CHWSQXEVSA-N 1 0 416.307 2.555 20 0 HFADRO C[NH+](C)CCn1nccc1NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC001129434505 1078463602 /nfs/dbraw/zinc/46/36/02/1078463602.db2.gz QBZOWPJOJKLYIM-OAQYLSRUSA-N 1 0 417.513 2.651 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000747204151 1078473846 /nfs/dbraw/zinc/47/38/46/1078473846.db2.gz LUIAACRAQJZMMM-ROUUACIJSA-N 1 0 415.563 2.766 20 0 HFADRO NC(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OCC(F)F)c1 ZINC001129481762 1078481991 /nfs/dbraw/zinc/48/19/91/1078481991.db2.gz VIQQVWWBMBKKEM-MRXNPFEDSA-N 1 0 403.429 2.890 20 0 HFADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC001170460891 1078492204 /nfs/dbraw/zinc/49/22/04/1078492204.db2.gz VWWKHVHWYLOPRT-CQSZACIVSA-N 1 0 402.366 2.996 20 0 HFADRO CC[NH+]1CCN(CCCNC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000747207023 1078502561 /nfs/dbraw/zinc/50/25/61/1078502561.db2.gz IFKMFOUAYVQFFC-UHFFFAOYSA-N 1 0 406.621 2.780 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CC1 ZINC001129807430 1078504665 /nfs/dbraw/zinc/50/46/65/1078504665.db2.gz BCEUGANCTZWQGO-IPMKNSEASA-N 1 0 420.395 2.867 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000804443430 1078507956 /nfs/dbraw/zinc/50/79/56/1078507956.db2.gz YOJBEUGPHBGVCL-UHFFFAOYSA-N 1 0 422.570 2.867 20 0 HFADRO C[NH+](C)CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC001129490080 1078510083 /nfs/dbraw/zinc/51/00/83/1078510083.db2.gz NPPVZXVHLRKTDY-UHFFFAOYSA-N 1 0 423.623 2.841 20 0 HFADRO O=C(C1=NO[C@H](c2ccccc2)C1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446221 1078512291 /nfs/dbraw/zinc/51/22/91/1078512291.db2.gz BAFYWZKJXUQEBQ-UPVQGACJSA-N 1 0 418.541 2.923 20 0 HFADRO O=C(C[C@@H](O)c1cccc(F)c1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804448954 1078516752 /nfs/dbraw/zinc/51/67/52/1078516752.db2.gz SDYJKJXMLQSNMA-XZOQPEGZSA-N 1 0 411.521 2.668 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804449604 1078517753 /nfs/dbraw/zinc/51/77/53/1078517753.db2.gz ZHMXCVLQJOIINL-HXUWFJFHSA-N 1 0 414.500 2.901 20 0 HFADRO C[N@H+](CCCCNC(=O)c1ccc2ncc(I)n2c1)C1CC1 ZINC001129515518 1078528231 /nfs/dbraw/zinc/52/82/31/1078528231.db2.gz NGKAVGQBBJHGHT-UHFFFAOYSA-N 1 0 412.275 2.543 20 0 HFADRO C[N@H+](CCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C1CC1 ZINC001129516176 1078528664 /nfs/dbraw/zinc/52/86/64/1078528664.db2.gz DCWDOYXQSPWXSS-DEOSSOPVSA-N 1 0 422.529 2.597 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CCNC(=O)OCC(F)(F)F)c1 ZINC001129548217 1078538107 /nfs/dbraw/zinc/53/81/07/1078538107.db2.gz FLYXEBVFJOVRGY-UHFFFAOYSA-N 1 0 418.416 2.584 20 0 HFADRO O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1C[C@@H]([NH2+]C/C=C/c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129857606 1078538200 /nfs/dbraw/zinc/53/82/00/1078538200.db2.gz AUCVKQXQYCPMKP-PUYFCITHSA-N 1 0 403.530 2.935 20 0 HFADRO CC(=O)N1C[C@@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000747192137 1078546384 /nfs/dbraw/zinc/54/63/84/1078546384.db2.gz XQFXHGQCMGUGPT-NRFANRHFSA-N 1 0 413.543 2.890 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000804523400 1078563007 /nfs/dbraw/zinc/56/30/07/1078563007.db2.gz RPVJANGRAKTUCN-QFBILLFUSA-N 1 0 418.497 2.790 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000804524732 1078564321 /nfs/dbraw/zinc/56/43/21/1078564321.db2.gz VEKRXOLXTFGANG-WBVHZDCISA-N 1 0 415.563 2.718 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc2ncc(I)n2c1 ZINC000804526704 1078565919 /nfs/dbraw/zinc/56/59/19/1078565919.db2.gz SNYFMEWYIGMFBB-TZMCWYRMSA-N 1 0 424.286 2.638 20 0 HFADRO COc1cccc2c1CC[C@@H]2NC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000804529200 1078566944 /nfs/dbraw/zinc/56/69/44/1078566944.db2.gz SKYMBMUHWDKBNX-OFVILXPXSA-N 1 0 421.541 2.827 20 0 HFADRO CC1(C)CO[C@H](CCC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001129870860 1078567934 /nfs/dbraw/zinc/56/79/34/1078567934.db2.gz BEESWPUXBFVVMO-HXUWFJFHSA-N 1 0 401.551 2.595 20 0 HFADRO Cc1ccc(C)c(OCC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC001129873137 1078569662 /nfs/dbraw/zinc/56/96/62/1078569662.db2.gz WYRBVLSWAUZDDF-UHFFFAOYSA-N 1 0 409.530 2.696 20 0 HFADRO COC1(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804533516 1078569810 /nfs/dbraw/zinc/56/98/10/1078569810.db2.gz BGACOXVLRAXPCU-UHFFFAOYSA-N 1 0 417.550 2.745 20 0 HFADRO C[C@H](NS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1)c1ccccc1 ZINC001129903675 1078576164 /nfs/dbraw/zinc/57/61/64/1078576164.db2.gz AXCYWFZGXUSEOX-FXAWDEMLSA-N 1 0 415.559 2.892 20 0 HFADRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC001129905783 1078577925 /nfs/dbraw/zinc/57/79/25/1078577925.db2.gz PVBXBNAKTIWQKU-CYBMUJFWSA-N 1 0 401.960 2.583 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129611607 1078582368 /nfs/dbraw/zinc/58/23/68/1078582368.db2.gz LEAXYUSQJYXOJI-VQTJNVASSA-N 1 0 419.953 2.652 20 0 HFADRO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000804564766 1078600093 /nfs/dbraw/zinc/60/00/93/1078600093.db2.gz MSHSBQBADQAJOL-CTVHLWBWSA-N 1 0 415.534 2.996 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000804777372 1078602299 /nfs/dbraw/zinc/60/22/99/1078602299.db2.gz ZWZVXCIAXCKQBK-HNNXBMFYSA-N 1 0 413.971 2.729 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000804777113 1078602331 /nfs/dbraw/zinc/60/23/31/1078602331.db2.gz QOMBPWLUKDSZCQ-HRCADAONSA-N 1 0 403.523 2.903 20 0 HFADRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804761742 1078610565 /nfs/dbraw/zinc/61/05/65/1078610565.db2.gz MKBIWBDZENKDIJ-FQEVSTJZSA-N 1 0 416.566 2.515 20 0 HFADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000804759787 1078610595 /nfs/dbraw/zinc/61/05/95/1078610595.db2.gz APUZNNKPTRVMAA-WOJBJXKFSA-N 1 0 420.598 2.547 20 0 HFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2C1 ZINC001129950068 1078625554 /nfs/dbraw/zinc/62/55/54/1078625554.db2.gz CJSPYNOXDXQHIC-ZIAGYGMSSA-N 1 0 418.563 2.804 20 0 HFADRO CCC1([NH+]2CCCC2)CCN(C(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1 ZINC001170467691 1078634903 /nfs/dbraw/zinc/63/49/03/1078634903.db2.gz KVRUJCZAXIVZNF-UHFFFAOYSA-N 1 0 413.566 2.678 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)CC1 ZINC001129962135 1078636408 /nfs/dbraw/zinc/63/64/08/1078636408.db2.gz PQVQYMSBZDNIHF-UHFFFAOYSA-N 1 0 407.465 2.820 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)C1 ZINC001129679487 1078643280 /nfs/dbraw/zinc/64/32/80/1078643280.db2.gz OCXGWOQKAMTZFX-INIZCTEOSA-N 1 0 413.609 2.723 20 0 HFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)Cn3cnc4sccc4c3=O)sc2C1 ZINC001129946746 1078643792 /nfs/dbraw/zinc/64/37/92/1078643792.db2.gz VJMCBUBBZGBHGZ-UHFFFAOYSA-N 1 0 403.533 2.710 20 0 HFADRO COC[C@@]1(CNC(=O)c2sccc2C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000804790609 1078645896 /nfs/dbraw/zinc/64/58/96/1078645896.db2.gz FTQMQXRBJGOJSE-FQEVSTJZSA-N 1 0 411.568 2.956 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)C1 ZINC001129678550 1078666165 /nfs/dbraw/zinc/66/61/65/1078666165.db2.gz BWDQPJQMWDJVOW-HJHGFDQJSA-N 1 0 406.490 2.872 20 0 HFADRO C[NH+]1CCC(CNC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)(N2CCOCC2)CC1 ZINC001129720348 1078672732 /nfs/dbraw/zinc/67/27/32/1078672732.db2.gz MSNUOVHCKADZPZ-UHFFFAOYSA-N 1 0 421.410 2.510 20 0 HFADRO O=C(Nn1cnc2ccccc21)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804869333 1078693090 /nfs/dbraw/zinc/69/30/90/1078693090.db2.gz NJPBVUPRSXCZDK-FQEVSTJZSA-N 1 0 404.518 2.592 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000804643936 1078698802 /nfs/dbraw/zinc/69/88/02/1078698802.db2.gz UASUUXQWIHFKJS-WIYYLYMNSA-N 1 0 411.521 2.996 20 0 HFADRO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747219417 1078705494 /nfs/dbraw/zinc/70/54/94/1078705494.db2.gz COXWGQDENAVRTB-QGZVFWFLSA-N 1 0 412.408 2.989 20 0 HFADRO O=C(NC[C@@H]1CC1(Cl)Cl)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804941856 1078766458 /nfs/dbraw/zinc/76/64/58/1078766458.db2.gz FECNVXWQDROJHV-ROUUACIJSA-N 1 0 411.377 2.782 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)no1 ZINC000804944392 1078771868 /nfs/dbraw/zinc/77/18/68/1078771868.db2.gz PWDLBMPDWKAUDI-LAUBAEHRSA-N 1 0 410.518 2.988 20 0 HFADRO CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc(Cl)nc2C)CC1 ZINC000804949433 1078777352 /nfs/dbraw/zinc/77/73/52/1078777352.db2.gz NIKDMRVVNHOJNM-UHFFFAOYSA-N 1 0 422.982 2.659 20 0 HFADRO O=C(Cn1cc(Br)cn1)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001130042834 1078845168 /nfs/dbraw/zinc/84/51/68/1078845168.db2.gz SJVAELFAGRFLMN-HKUYNNGSSA-N 1 0 403.324 2.914 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000805044814 1078860145 /nfs/dbraw/zinc/86/01/45/1078860145.db2.gz FZIACYDOLHDQTL-RDTXWAMCSA-N 1 0 417.428 2.862 20 0 HFADRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1nc(C)n(C)c1Br)CC(C)C ZINC000805033411 1078880174 /nfs/dbraw/zinc/88/01/74/1078880174.db2.gz BBBMPZNPAMHIMM-ZDUSSCGKSA-N 1 0 409.394 2.526 20 0 HFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000805104580 1078888397 /nfs/dbraw/zinc/88/83/97/1078888397.db2.gz XEBIWDKOZHRKBE-QMHWVQJVSA-N 1 0 406.493 2.594 20 0 HFADRO C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1F ZINC000805075424 1078907309 /nfs/dbraw/zinc/90/73/09/1078907309.db2.gz XEDRFZPOOMLCSA-IACUBPJLSA-N 1 0 400.292 2.812 20 0 HFADRO CC(=O)OCCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000805094297 1078920566 /nfs/dbraw/zinc/92/05/66/1078920566.db2.gz MYWMGPZQQMBJSR-FCHUYYIVSA-N 1 0 416.543 2.527 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000805139354 1078936709 /nfs/dbraw/zinc/93/67/09/1078936709.db2.gz REGHGKLGRLFQLE-NZQKXSOJSA-N 1 0 414.594 2.619 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000747230008 1078952313 /nfs/dbraw/zinc/95/23/13/1078952313.db2.gz XHAMIYAOMQVHFP-UHFFFAOYSA-N 1 0 406.479 2.555 20 0 HFADRO C[C@H](C(=O)N(C)CCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)C(F)(F)F)C(F)(F)F ZINC000805201943 1078953086 /nfs/dbraw/zinc/95/30/86/1078953086.db2.gz KITCYLVCNJCBHQ-CHWSQXEVSA-N 1 0 419.410 2.766 20 0 HFADRO C[NH+]1CCC(NC(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000805178617 1078963966 /nfs/dbraw/zinc/96/39/66/1078963966.db2.gz UTMJAWHAUKNUNW-LJQANCHMSA-N 1 0 402.539 2.914 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805184549 1078966140 /nfs/dbraw/zinc/96/61/40/1078966140.db2.gz RSINXHSWYZSASD-QXKUPLGCSA-N 1 0 406.493 2.594 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@H]3COc4ccccc4C3)cc2)CC1 ZINC000805244993 1078981618 /nfs/dbraw/zinc/98/16/18/1078981618.db2.gz VQSVIYJVVDPPRQ-LJQANCHMSA-N 1 0 423.513 2.562 20 0 HFADRO COC(=O)c1cnc([C@H](C)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)s1 ZINC001130117785 1078988176 /nfs/dbraw/zinc/98/81/76/1078988176.db2.gz ZKLCLGKDAJFFCC-HNNXBMFYSA-N 1 0 416.547 2.951 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000805282437 1079008713 /nfs/dbraw/zinc/00/87/13/1079008713.db2.gz NZMSAUBQUSQKJT-UXHICEINSA-N 1 0 402.539 2.763 20 0 HFADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1 ZINC000805280111 1079006327 /nfs/dbraw/zinc/00/63/27/1079006327.db2.gz ZIGHGGIITSZYDI-UHFFFAOYSA-N 1 0 413.559 2.851 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000805292338 1079014809 /nfs/dbraw/zinc/01/48/09/1079014809.db2.gz DDYUUJRGZGVCOE-NRFANRHFSA-N 1 0 416.566 2.668 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000805316120 1079015814 /nfs/dbraw/zinc/01/58/14/1079015814.db2.gz IARASILZUUMSJR-JOCHJYFZSA-N 1 0 402.539 2.819 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000805332995 1079022762 /nfs/dbraw/zinc/02/27/62/1079022762.db2.gz IFGJHTXPYIKMKG-ZWCUEREDSA-N 1 0 403.498 2.822 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1F ZINC000747237341 1079032676 /nfs/dbraw/zinc/03/26/76/1079032676.db2.gz IOQBNMMEXJDHCV-IBGZPJMESA-N 1 0 406.479 2.728 20 0 HFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)c1cnn2cccnc12 ZINC001130168884 1079050159 /nfs/dbraw/zinc/05/01/59/1079050159.db2.gz JURHVZSLEVUDFR-UHFFFAOYSA-N 1 0 417.311 2.742 20 0 HFADRO COc1cc(NC(=O)Cc2cccs2)c(C(=O)N[C@@H](C)C[NH+](C)C)cc1OC ZINC000805426087 1079058285 /nfs/dbraw/zinc/05/82/85/1079058285.db2.gz MTRMIZRLOQXNNB-ZDUSSCGKSA-N 1 0 405.520 2.626 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000805411759 1079073428 /nfs/dbraw/zinc/07/34/28/1079073428.db2.gz YFLYPXKYYWYUHP-UXHICEINSA-N 1 0 402.539 2.811 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1F ZINC000747242530 1079079938 /nfs/dbraw/zinc/07/99/38/1079079938.db2.gz YDDKLLMLVWCBHC-UHFFFAOYSA-N 1 0 406.479 2.687 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)c1 ZINC000747252400 1079136285 /nfs/dbraw/zinc/13/62/85/1079136285.db2.gz DLVSVQBAMRMWFO-RAXLEYEMSA-N 1 0 402.516 2.803 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000747253602 1079152874 /nfs/dbraw/zinc/15/28/74/1079152874.db2.gz MULSYFNVLRNKCS-DLYYPUKTSA-N 1 0 406.548 2.899 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000747253100 1079160202 /nfs/dbraw/zinc/16/02/02/1079160202.db2.gz IFOGXCYHYMSRNW-KRWDZBQOSA-N 1 0 420.506 2.803 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc3ccccc3n2CC)C1 ZINC000805636382 1079189153 /nfs/dbraw/zinc/18/91/53/1079189153.db2.gz OQLRJYGUYSRGEG-QGZVFWFLSA-N 1 0 413.566 2.689 20 0 HFADRO COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC001130301388 1079193185 /nfs/dbraw/zinc/19/31/85/1079193185.db2.gz MTUQTOGQYFITCI-DJIMGWMZSA-N 1 0 405.926 2.835 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001130302222 1079194240 /nfs/dbraw/zinc/19/42/40/1079194240.db2.gz YFJIGPRLFHXZRR-WOJBJXKFSA-N 1 0 405.489 2.950 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c(Cl)cc1Cl ZINC000747262788 1079200952 /nfs/dbraw/zinc/20/09/52/1079200952.db2.gz SIVQGIGBJOAMPD-UHFFFAOYSA-N 1 0 409.335 2.742 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)ccc1F ZINC000747262131 1079204067 /nfs/dbraw/zinc/20/40/67/1079204067.db2.gz NGQXEYDIYTWBIX-UHFFFAOYSA-N 1 0 408.495 2.673 20 0 HFADRO COCCOc1cc2ncnc(NCC(C)(C)C[NH+](C)C)c2cc1OCCOC ZINC001157942328 1079204086 /nfs/dbraw/zinc/20/40/86/1079204086.db2.gz WUDBKCVSYHDJAM-UHFFFAOYSA-N 1 0 406.527 2.680 20 0 HFADRO CCC[N@H+](C)[C@H](CNC(=O)N1CCN2C(=O)OCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000805752179 1079231284 /nfs/dbraw/zinc/23/12/84/1079231284.db2.gz ADYCXPWYSZTFMO-QZTJIDSGSA-N 1 0 408.930 2.959 20 0 HFADRO CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795034 1079260335 /nfs/dbraw/zinc/26/03/35/1079260335.db2.gz DXPHLGAVOWANNU-IERDGZPVSA-N 1 0 410.559 2.580 20 0 HFADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000805759545 1079261215 /nfs/dbraw/zinc/26/12/15/1079261215.db2.gz VEKDZMLUEIXAPN-WOJBJXKFSA-N 1 0 423.985 2.870 20 0 HFADRO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000805759543 1079261287 /nfs/dbraw/zinc/26/12/87/1079261287.db2.gz VEKDZMLUEIXAPN-UXHICEINSA-N 1 0 423.985 2.870 20 0 HFADRO C[C@@H]1[C@H](C)N(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C[N@@H+]1C ZINC001130369496 1079267763 /nfs/dbraw/zinc/26/77/63/1079267763.db2.gz FPSKLIKXMNORAY-PFRQMTDMSA-N 1 0 414.550 2.903 20 0 HFADRO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C)C2=O ZINC001130369731 1079268119 /nfs/dbraw/zinc/26/81/19/1079268119.db2.gz IJUJVJMSUSZRRK-WZGDRLMUSA-N 1 0 420.598 2.843 20 0 HFADRO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000805838000 1079277216 /nfs/dbraw/zinc/27/72/16/1079277216.db2.gz IMUQMCXOIIVHKY-UHFFFAOYSA-N 1 0 416.497 2.787 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805800878 1079280333 /nfs/dbraw/zinc/28/03/33/1079280333.db2.gz JIXAYZVWUREBDM-LRDDRELGSA-N 1 0 424.929 2.755 20 0 HFADRO CCOC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)cc(=O)oc2c1 ZINC000805811197 1079285937 /nfs/dbraw/zinc/28/59/37/1079285937.db2.gz MMEDSJFQSWEDPB-OAHLLOKOSA-N 1 0 413.474 2.806 20 0 HFADRO C[C@@H](C[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)[C@@H](C)CO)c1ccccc1 ZINC000805820519 1079291654 /nfs/dbraw/zinc/29/16/54/1079291654.db2.gz PSASTOAZBNZYEW-PMACEKPBSA-N 1 0 423.557 2.916 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000747268156 1079295115 /nfs/dbraw/zinc/29/51/15/1079295115.db2.gz ARODJKWBWNLJBI-ACQXMXPUSA-N 1 0 414.527 2.816 20 0 HFADRO CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)C1=O ZINC000805827182 1079297666 /nfs/dbraw/zinc/29/76/66/1079297666.db2.gz OMNLYLWFQBVEST-QGZVFWFLSA-N 1 0 408.543 2.620 20 0 HFADRO CC[C@@H](C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000805915612 1079330688 /nfs/dbraw/zinc/33/06/88/1079330688.db2.gz IQMQRPGUSKLSIJ-ROUUACIJSA-N 1 0 421.929 2.845 20 0 HFADRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747281837 1079352698 /nfs/dbraw/zinc/35/26/98/1079352698.db2.gz MZWBVJFWEHHHBI-NSHDSACASA-N 1 0 409.335 2.885 20 0 HFADRO C[NH+](C)CCOc1ccc(CCC(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC001130450396 1079371687 /nfs/dbraw/zinc/37/16/87/1079371687.db2.gz WASFKJNECZXOJS-UHFFFAOYSA-N 1 0 403.567 2.713 20 0 HFADRO Cn1cnc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1Cl ZINC000747291869 1079390727 /nfs/dbraw/zinc/39/07/27/1079390727.db2.gz WXVLWXLKESDIRE-IBGZPJMESA-N 1 0 408.955 2.750 20 0 HFADRO CC(C)NC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130527144 1079435969 /nfs/dbraw/zinc/43/59/69/1079435969.db2.gz ACNLFLFFLKMBKD-DHIUTWEWSA-N 1 0 421.541 2.940 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(=O)n(CC(F)(F)F)c3)cc2)CC1 ZINC001170499644 1079439637 /nfs/dbraw/zinc/43/96/37/1079439637.db2.gz IFMNDTZDLSCQNN-QQFBHYJXSA-N 1 0 422.451 2.782 20 0 HFADRO CN(C)S(=O)(=O)C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(F)(F)F ZINC000806120289 1079449457 /nfs/dbraw/zinc/44/94/57/1079449457.db2.gz TUVXKOGOSACTJD-MRXNPFEDSA-N 1 0 422.469 2.652 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC001130518918 1079450780 /nfs/dbraw/zinc/45/07/80/1079450780.db2.gz QUXKGSZDGKDRNA-RCCFBDPRSA-N 1 0 409.571 2.830 20 0 HFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)C2=O)c(OC)c1 ZINC000806170434 1079461467 /nfs/dbraw/zinc/46/14/67/1079461467.db2.gz SZRFAJRYKJTTLK-JFRXWTBNSA-N 1 0 408.589 2.774 20 0 HFADRO Cc1cc(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)c2nccn2c1 ZINC001130541483 1079461913 /nfs/dbraw/zinc/46/19/13/1079461913.db2.gz DWZMGGBFPOIUNE-UHFFFAOYSA-N 1 0 407.518 2.911 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000806174607 1079463613 /nfs/dbraw/zinc/46/36/13/1079463613.db2.gz ZLXBSONQVMXPAW-QXAKKESOSA-N 1 0 410.580 2.925 20 0 HFADRO CCOc1ccc(OCC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130529259 1079465433 /nfs/dbraw/zinc/46/54/33/1079465433.db2.gz UEJASVJNUPPUGT-XZOQPEGZSA-N 1 0 410.514 2.966 20 0 HFADRO COCCOc1cccc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130529729 1079466182 /nfs/dbraw/zinc/46/61/82/1079466182.db2.gz YOLTXJXQMMEOAP-DHIUTWEWSA-N 1 0 410.514 2.827 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@H]3CCC(=O)NC)cc2)CC1 ZINC000806155747 1079470468 /nfs/dbraw/zinc/47/04/68/1079470468.db2.gz UDSAJDLMMXCCNE-FQEVSTJZSA-N 1 0 401.555 2.741 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000806167988 1079475883 /nfs/dbraw/zinc/47/58/83/1079475883.db2.gz QCFDDQSUFBZIPF-UWHLTILDSA-N 1 0 404.551 2.984 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000806209519 1079494675 /nfs/dbraw/zinc/49/46/75/1079494675.db2.gz ACQFWTSFYDSCJN-QGZVFWFLSA-N 1 0 403.401 2.586 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccccc2-c2noc(C)n2)CC1 ZINC000806213021 1079496277 /nfs/dbraw/zinc/49/62/77/1079496277.db2.gz KDAPTLIYHOLZCM-UHFFFAOYSA-N 1 0 417.510 2.636 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000806248951 1079501467 /nfs/dbraw/zinc/50/14/67/1079501467.db2.gz PNLMSEGUJIYYLH-PBHICJAKSA-N 1 0 402.520 2.973 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000787299863 1076747930 /nfs/dbraw/zinc/74/79/30/1076747930.db2.gz KTUOYQWXYNCOEW-IAGOWNOFSA-N 1 0 405.564 2.776 20 0 HFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787317657 1076760459 /nfs/dbraw/zinc/76/04/59/1076760459.db2.gz KWYSBICFMOWJHZ-MRXNPFEDSA-N 1 0 405.543 2.548 20 0 HFADRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787323176 1076766838 /nfs/dbraw/zinc/76/68/38/1076766838.db2.gz AOOIKWLQMPKNQK-GXZWQRSESA-N 1 0 400.475 2.773 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000787326643 1076769248 /nfs/dbraw/zinc/76/92/48/1076769248.db2.gz QBTUGEYEIIGQKP-MSOLQXFVSA-N 1 0 424.586 2.671 20 0 HFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000787338582 1076783421 /nfs/dbraw/zinc/78/34/21/1076783421.db2.gz HUIKARFKCIYTNL-UHFFFAOYSA-N 1 0 403.857 2.527 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)[C@H](C)C1 ZINC000787387549 1076804662 /nfs/dbraw/zinc/80/46/62/1076804662.db2.gz MMVMTQPGLHURHS-MDZRGWNJSA-N 1 0 419.570 2.936 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C1 ZINC000787407406 1076810162 /nfs/dbraw/zinc/81/01/62/1076810162.db2.gz ANWGMLIWUWEAAO-OWCLPIDISA-N 1 0 405.543 2.737 20 0 HFADRO Cc1cnc(Br)cc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000787440494 1076811889 /nfs/dbraw/zinc/81/18/89/1076811889.db2.gz HYZRJCMVLMLXMC-UHFFFAOYSA-N 1 0 410.360 2.644 20 0 HFADRO Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCCCCCCC[NH+]3CCCC3)cc21 ZINC000787513197 1076831223 /nfs/dbraw/zinc/83/12/23/1076831223.db2.gz HTKMVMBBMFGGFD-UHFFFAOYSA-N 1 0 412.534 2.640 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000787530699 1076850338 /nfs/dbraw/zinc/85/03/38/1076850338.db2.gz BLHGVFYVQIGYIE-SFHVURJKSA-N 1 0 407.559 2.869 20 0 HFADRO C[C@@H](CCNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[N@H+](C)Cc1ccccc1 ZINC000746693643 1076872624 /nfs/dbraw/zinc/87/26/24/1076872624.db2.gz GOPSCJRTFUWWDL-AWEZNQCLSA-N 1 0 409.939 2.628 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000787608314 1076876356 /nfs/dbraw/zinc/87/63/56/1076876356.db2.gz RBFQMRXULYSAJP-CYBMUJFWSA-N 1 0 413.490 2.652 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000787623446 1076882352 /nfs/dbraw/zinc/88/23/52/1076882352.db2.gz ABUYUCMFWMDKBR-UHFFFAOYSA-N 1 0 414.937 2.613 20 0 HFADRO CC1CC[NH+](CC(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)CC1 ZINC000787669367 1076905159 /nfs/dbraw/zinc/90/51/59/1076905159.db2.gz YHYOIPKNLCVHPI-UHFFFAOYSA-N 1 0 409.372 2.871 20 0 HFADRO Cc1cccc(C[NH+]2CCN([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)c1 ZINC000787688977 1076912569 /nfs/dbraw/zinc/91/25/69/1076912569.db2.gz QIWZGZICMFFWQV-OFNKIYASSA-N 1 0 403.567 2.873 20 0 HFADRO CN1CC[C@H]([NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]1c1ccccc1 ZINC000787689535 1076913365 /nfs/dbraw/zinc/91/33/65/1076913365.db2.gz LKNOSDROOLGINY-JXFKEZNVSA-N 1 0 412.559 2.699 20 0 HFADRO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000787692841 1076914726 /nfs/dbraw/zinc/91/47/26/1076914726.db2.gz XVRDDIYQMPYTNM-QPPBQGQZSA-N 1 0 403.530 2.635 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000787704150 1076918803 /nfs/dbraw/zinc/91/88/03/1076918803.db2.gz DWKVODKOSZDSKF-XXBNENTESA-N 1 0 417.550 2.641 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)CCC2 ZINC000787751185 1076926361 /nfs/dbraw/zinc/92/63/61/1076926361.db2.gz KEQRKTWLURNCIP-RBUKOAKNSA-N 1 0 412.559 2.898 20 0 HFADRO CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787729512 1076932971 /nfs/dbraw/zinc/93/29/71/1076932971.db2.gz INMOTJJYPWOOLW-KKSFZXQISA-N 1 0 413.559 2.736 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)[C@H]3C[C@@]34CCN(C(=O)OC(C)(C)C)C4)n2)CC1 ZINC000787771528 1076941970 /nfs/dbraw/zinc/94/19/70/1076941970.db2.gz REEDSBOWJUMOGU-IIBYNOLFSA-N 1 0 403.527 2.735 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000787882646 1076975596 /nfs/dbraw/zinc/97/55/96/1076975596.db2.gz AQUJVJJBCNZOEB-UHFFFAOYSA-N 1 0 404.898 2.629 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000787884658 1076976671 /nfs/dbraw/zinc/97/66/71/1076976671.db2.gz VWGCHDCRMPBGAN-QGZVFWFLSA-N 1 0 400.910 2.663 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000787907826 1076990429 /nfs/dbraw/zinc/99/04/29/1076990429.db2.gz BAUWNILEXGFTRD-ZCNNSNEGSA-N 1 0 403.567 2.753 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000787902108 1077004868 /nfs/dbraw/zinc/00/48/68/1077004868.db2.gz DOWCJLAONFZEEJ-PZJWPPBQSA-N 1 0 403.567 2.648 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000787902106 1077004968 /nfs/dbraw/zinc/00/49/68/1077004968.db2.gz DOWCJLAONFZEEJ-CTNGQTDRSA-N 1 0 403.567 2.648 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000787968122 1077011681 /nfs/dbraw/zinc/01/16/81/1077011681.db2.gz GTXPNAPWQZSYPL-UHFFFAOYSA-N 1 0 405.724 2.626 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000787969773 1077012472 /nfs/dbraw/zinc/01/24/72/1077012472.db2.gz VTINQFIKDBQSQP-UHFFFAOYSA-N 1 0 408.930 2.596 20 0 HFADRO COc1ccc(C(=O)NC(=O)COC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000772712017 1077050507 /nfs/dbraw/zinc/05/05/07/1077050507.db2.gz SKJBDHVORRFMKE-UHFFFAOYSA-N 1 0 424.497 2.797 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)C1 ZINC000746730519 1077069432 /nfs/dbraw/zinc/06/94/32/1077069432.db2.gz URZASTCHFNXTMN-QGZVFWFLSA-N 1 0 420.510 2.616 20 0 HFADRO COc1cc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cnc1Br ZINC000788159184 1077071425 /nfs/dbraw/zinc/07/14/25/1077071425.db2.gz NXZNARQWXXEQJU-UHFFFAOYSA-N 1 0 419.323 2.852 20 0 HFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c1 ZINC000788244779 1077085704 /nfs/dbraw/zinc/08/57/04/1077085704.db2.gz ITWWRGWNNIJSMF-ROUUACIJSA-N 1 0 411.568 2.910 20 0 HFADRO COc1cccc([C@H](O)CNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC000788303382 1077092627 /nfs/dbraw/zinc/09/26/27/1077092627.db2.gz SQHCXGKNVSEKAS-OAQYLSRUSA-N 1 0 408.502 2.584 20 0 HFADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)N(CC)CCC[NH+]2CCCC2)cc1 ZINC000788343327 1077111866 /nfs/dbraw/zinc/11/18/66/1077111866.db2.gz HYONAHHBZLOKLT-UHFFFAOYSA-N 1 0 404.511 2.552 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)OC ZINC000788345602 1077112295 /nfs/dbraw/zinc/11/22/95/1077112295.db2.gz SPJYLSSPVHYXBB-UHFFFAOYSA-N 1 0 403.523 2.870 20 0 HFADRO CC(C)(C)SCCNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000788378919 1077134562 /nfs/dbraw/zinc/13/45/62/1077134562.db2.gz IJZMANCALLXGAJ-UHFFFAOYSA-N 1 0 405.608 2.801 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000788428421 1077143526 /nfs/dbraw/zinc/14/35/26/1077143526.db2.gz FGURUHQIJRNTHZ-CGTJXYLNSA-N 1 0 421.538 2.792 20 0 HFADRO C[C@@H](OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000772720149 1077155027 /nfs/dbraw/zinc/15/50/27/1077155027.db2.gz ZWLYYYLLYUXOGK-MRXNPFEDSA-N 1 0 403.523 2.845 20 0 HFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)C1 ZINC000788443518 1077161205 /nfs/dbraw/zinc/16/12/05/1077161205.db2.gz SCRWOKLHFRZMDI-LJQANCHMSA-N 1 0 415.534 2.646 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000788484514 1077176880 /nfs/dbraw/zinc/17/68/80/1077176880.db2.gz ZCLJCEKPMGOSTA-JXMROGBWSA-N 1 0 414.594 2.870 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(OC)c(OC)c2)CCN1C(=O)OC(C)(C)C ZINC000788497048 1077181868 /nfs/dbraw/zinc/18/18/68/1077181868.db2.gz CVOGDJTXHKLZHQ-QAPCUYQASA-N 1 0 408.495 2.735 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788504433 1077185249 /nfs/dbraw/zinc/18/52/49/1077185249.db2.gz QFPJKMMBOUBJIN-FHWLQOOXSA-N 1 0 405.539 2.820 20 0 HFADRO CC(C)(C)OC(=O)N1CCOC[C@H]1C(=[NH2+])NOCc1ncc(Br)s1 ZINC000788506937 1077185951 /nfs/dbraw/zinc/18/59/51/1077185951.db2.gz ZTTTXFHAQYPLPO-VIFPVBQESA-N 1 0 421.317 2.540 20 0 HFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788541122 1077194085 /nfs/dbraw/zinc/19/40/85/1077194085.db2.gz WNSWUMVGCYNBNM-ZDUSSCGKSA-N 1 0 403.470 2.697 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788563191 1077201758 /nfs/dbraw/zinc/20/17/58/1077201758.db2.gz OMHCMENOMBGVJR-KBAYOESNSA-N 1 0 409.452 2.764 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCn2cnc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788568864 1077208740 /nfs/dbraw/zinc/20/87/40/1077208740.db2.gz DYYAIROSDIEPCZ-FUHWJXTLSA-N 1 0 402.495 2.567 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(C)c1Cl ZINC000788600154 1077218909 /nfs/dbraw/zinc/21/89/09/1077218909.db2.gz SJTHWHBOOIIPKK-LLVKDONJSA-N 1 0 408.973 2.897 20 0 HFADRO CCn1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1=O ZINC000788605205 1077220727 /nfs/dbraw/zinc/22/07/27/1077220727.db2.gz MYNOTQBFLBKEBC-OTWHNJEPSA-N 1 0 405.539 2.762 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C)c1Cl ZINC000788607686 1077222469 /nfs/dbraw/zinc/22/24/69/1077222469.db2.gz XMJPHCKVEVEEEO-GFCCVEGCSA-N 1 0 406.957 2.745 20 0 HFADRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)C2=O)cc1 ZINC000788646048 1077223656 /nfs/dbraw/zinc/22/36/56/1077223656.db2.gz QIMRRLMGGHGPMJ-HNAYVOBHSA-N 1 0 403.523 2.641 20 0 HFADRO CCCC[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000788650269 1077225085 /nfs/dbraw/zinc/22/50/85/1077225085.db2.gz PONSGGXCWDOZTJ-NHCUHLMSSA-N 1 0 424.545 2.959 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000790928855 1077237052 /nfs/dbraw/zinc/23/70/52/1077237052.db2.gz YKKDYZSVPRWAEJ-FQEVSTJZSA-N 1 0 400.567 2.551 20 0 HFADRO O=C(NCC[NH+]1CCCCCC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788636975 1077241286 /nfs/dbraw/zinc/24/12/86/1077241286.db2.gz LETYIFRLBXIWAX-WOJBJXKFSA-N 1 0 410.518 2.571 20 0 HFADRO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)c2cc1C ZINC000788641308 1077243581 /nfs/dbraw/zinc/24/35/81/1077243581.db2.gz CUXBVCWSTKBGIO-WMZOPIPTSA-N 1 0 402.539 2.859 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641150 1077243587 /nfs/dbraw/zinc/24/35/87/1077243587.db2.gz VMZZGLVTYTTWQW-MOPGFXCFSA-N 1 0 414.506 2.903 20 0 HFADRO CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788686223 1077250215 /nfs/dbraw/zinc/25/02/15/1077250215.db2.gz YSKNRSRFYGNHCK-MSOLQXFVSA-N 1 0 400.548 2.793 20 0 HFADRO CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788685897 1077250916 /nfs/dbraw/zinc/25/09/16/1077250916.db2.gz UQMNBKUIBIQUFD-WOJBJXKFSA-N 1 0 410.518 2.859 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000790948312 1077251971 /nfs/dbraw/zinc/25/19/71/1077251971.db2.gz WMYFZQGDGXAEQG-RXVVDRJESA-N 1 0 414.594 2.797 20 0 HFADRO CC(C)N(C)c1ccc(C[NH2+]CCCN2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000790954022 1077253365 /nfs/dbraw/zinc/25/33/65/1077253365.db2.gz ITIBAHKBEQYTCY-UHFFFAOYSA-N 1 0 405.587 2.959 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000790960499 1077254872 /nfs/dbraw/zinc/25/48/72/1077254872.db2.gz ZQNKXNVUJVCJEC-OAQYLSRUSA-N 1 0 414.594 2.940 20 0 HFADRO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC[N@@H+]1C ZINC000788658294 1077255289 /nfs/dbraw/zinc/25/52/89/1077255289.db2.gz MLIQDFJWDJPRCP-XCLNPWKQSA-N 1 0 410.518 2.519 20 0 HFADRO CC(C)N(C)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 ZINC000790962731 1077255493 /nfs/dbraw/zinc/25/54/93/1077255493.db2.gz NPRNVYPTTHCSPD-UHFFFAOYSA-N 1 0 408.490 2.577 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H](C)[C@H](O)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788662393 1077257727 /nfs/dbraw/zinc/25/77/27/1077257727.db2.gz CUKITOQLRIWYAN-ZSGPHXLJSA-N 1 0 410.486 2.778 20 0 HFADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170146493 1077258487 /nfs/dbraw/zinc/25/84/87/1077258487.db2.gz PYMMFKTWOPTRSZ-JTSKRJEESA-N 1 0 409.571 2.926 20 0 HFADRO CCOC(=O)c1ncncc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170147231 1077264638 /nfs/dbraw/zinc/26/46/38/1077264638.db2.gz BDBFVHKCWLNRIX-UHFFFAOYSA-N 1 0 405.462 2.563 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788714705 1077268939 /nfs/dbraw/zinc/26/89/39/1077268939.db2.gz HBJJQGDXNNKDBV-SBHAEUEKSA-N 1 0 400.567 2.797 20 0 HFADRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788749824 1077275934 /nfs/dbraw/zinc/27/59/34/1077275934.db2.gz IIJFULMLBTYSSS-MRXNPFEDSA-N 1 0 403.523 2.504 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]CCc2cncn2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788755389 1077277531 /nfs/dbraw/zinc/27/75/31/1077277531.db2.gz SFBAHBOORXPZIZ-MRXNPFEDSA-N 1 0 408.543 2.521 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000746761087 1077278548 /nfs/dbraw/zinc/27/85/48/1077278548.db2.gz QNXNUFSNVALTJZ-ROUUACIJSA-N 1 0 412.575 2.528 20 0 HFADRO CC[NH+]1CCN(CCC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000791038175 1077279241 /nfs/dbraw/zinc/27/92/41/1077279241.db2.gz KBRPQXIXHAHKHA-UHFFFAOYSA-N 1 0 422.614 2.654 20 0 HFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788800386 1077291811 /nfs/dbraw/zinc/29/18/11/1077291811.db2.gz ZHFXXGMQKFZUJI-GOSISDBHSA-N 1 0 403.523 2.959 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc(C(=O)N(C)C)nc3)nc3ccc(C)cc3n12 ZINC001170148424 1077294355 /nfs/dbraw/zinc/29/43/55/1077294355.db2.gz LCSWFVSSGQBAPY-UHFFFAOYSA-N 1 0 403.490 2.693 20 0 HFADRO CC(=O)Nc1cc(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc(C(F)(F)F)c1 ZINC000791105463 1077300262 /nfs/dbraw/zinc/30/02/62/1077300262.db2.gz CWHJPQOFHMQAAJ-OAHLLOKOSA-N 1 0 423.395 2.862 20 0 HFADRO C[C@H]1CN(c2ccccc2F)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000788787858 1077304104 /nfs/dbraw/zinc/30/41/04/1077304104.db2.gz BDMBMBMLFCASRZ-HKUYNNGSSA-N 1 0 404.530 2.689 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000788822229 1077308944 /nfs/dbraw/zinc/30/89/44/1077308944.db2.gz KJEUUJKJGXKNSW-XAVKZTDYSA-N 1 0 418.335 2.809 20 0 HFADRO CN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788823024 1077309923 /nfs/dbraw/zinc/30/99/23/1077309923.db2.gz RUNWGTUEHQIEDX-JOCHJYFZSA-N 1 0 421.545 2.741 20 0 HFADRO C[N@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@H](CCO)c1ccccc1 ZINC000788847045 1077318327 /nfs/dbraw/zinc/31/83/27/1077318327.db2.gz PDRCRONXIGCOFV-AZUAARDMSA-N 1 0 419.566 2.805 20 0 HFADRO COCCC[N@H+](C)CCNC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000788875607 1077326202 /nfs/dbraw/zinc/32/62/02/1077326202.db2.gz CROIAHQWZFGBFC-UHFFFAOYSA-N 1 0 419.566 2.720 20 0 HFADRO O=C(OCc1cn(-c2ccccc2Br)nn1)C1CC[NH+](C2CC2)CC1 ZINC000791268735 1077353650 /nfs/dbraw/zinc/35/36/50/1077353650.db2.gz BFFXMCSPXCTINB-UHFFFAOYSA-N 1 0 405.296 2.947 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000788953763 1077361701 /nfs/dbraw/zinc/36/17/01/1077361701.db2.gz JZYCJAPNIWSYHB-GOSISDBHSA-N 1 0 400.523 2.671 20 0 HFADRO Brc1ccc(C[NH2+]CCCNc2ncccn2)c(N2CCOCC2)c1 ZINC000788967441 1077366010 /nfs/dbraw/zinc/36/60/10/1077366010.db2.gz SXKDIMKXOZVCSY-UHFFFAOYSA-N 1 0 406.328 2.668 20 0 HFADRO C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C)[NH+]1CCCCCC1 ZINC000791309611 1077381932 /nfs/dbraw/zinc/38/19/32/1077381932.db2.gz VLOUCTJPELDEOV-MSOLQXFVSA-N 1 0 419.570 2.805 20 0 HFADRO Cn1cc([C@@H]2CSCCN2C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000791393523 1077397722 /nfs/dbraw/zinc/39/77/22/1077397722.db2.gz YXVHFPZTOGQYCO-NSDNCLLMSA-N 1 0 400.548 2.690 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2c[nH]nc2-c2ccoc2)CC1 ZINC000789076109 1077398074 /nfs/dbraw/zinc/39/80/74/1077398074.db2.gz HKPKOCPFPQMRIM-UHFFFAOYSA-N 1 0 422.485 2.916 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000789050648 1077401284 /nfs/dbraw/zinc/40/12/84/1077401284.db2.gz BARPTVOVIAWPRR-YWZLYKJASA-N 1 0 406.552 2.783 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000746788481 1077408782 /nfs/dbraw/zinc/40/87/82/1077408782.db2.gz SGTAHYGBMWIKSH-UHFFFAOYSA-N 1 0 419.526 2.746 20 0 HFADRO Cc1ccc(C)c(N2N=C(C(=O)OCCCN3CC[NH+](C(C)C)CC3)CCC2=O)c1 ZINC000791478663 1077420077 /nfs/dbraw/zinc/42/00/77/1077420077.db2.gz QZZXBYNPXNPEKS-UHFFFAOYSA-N 1 0 414.550 2.746 20 0 HFADRO CC(C)[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H](O)c1ccccc1 ZINC000789146469 1077434128 /nfs/dbraw/zinc/43/41/28/1077434128.db2.gz ZUXZSTIGDYDPJF-RTWAWAEBSA-N 1 0 400.523 2.579 20 0 HFADRO C[C@@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OCCC[NH+](C)C)cc2)cc1 ZINC000791463190 1077436037 /nfs/dbraw/zinc/43/60/37/1077436037.db2.gz KQMMVKYFYOSZIB-OAHLLOKOSA-N 1 0 406.504 2.649 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NCC3([NH+]4CCSCC4)CCCC3)C2)c1 ZINC000791511525 1077451035 /nfs/dbraw/zinc/45/10/35/1077451035.db2.gz YAPBBQUPUNFSCR-LJQANCHMSA-N 1 0 403.548 2.666 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000791571577 1077466282 /nfs/dbraw/zinc/46/62/82/1077466282.db2.gz FJBCOSWTKCFVLS-NRFANRHFSA-N 1 0 413.518 2.710 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NCC3([NH+]4CCC(OC)CC4)CCCC3)C2)c1 ZINC000791575873 1077468224 /nfs/dbraw/zinc/46/82/24/1077468224.db2.gz QRHFKNJRDIMNHD-OAQYLSRUSA-N 1 0 415.534 2.728 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)cn1 ZINC000791563441 1077481672 /nfs/dbraw/zinc/48/16/72/1077481672.db2.gz KSXWPYKVFZPJGT-SFHVURJKSA-N 1 0 419.501 2.831 20 0 HFADRO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000791564865 1077482059 /nfs/dbraw/zinc/48/20/59/1077482059.db2.gz AQKCFLWENQITQY-WNYGOXNBSA-N 1 0 407.923 2.975 20 0 HFADRO C[C@H](OC(=O)c1cn(C)nc1-c1ccoc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789262344 1077487665 /nfs/dbraw/zinc/48/76/65/1077487665.db2.gz UMAPVCRMZDMAGM-LPHOPBHVSA-N 1 0 422.485 2.616 20 0 HFADRO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791619071 1077489750 /nfs/dbraw/zinc/48/97/50/1077489750.db2.gz LAPLUQWIPYULHA-RYQLBKOJSA-N 1 0 405.502 2.659 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3CC(=O)c4ccccc43)cc2)CC1 ZINC000789303040 1077506766 /nfs/dbraw/zinc/50/67/66/1077506766.db2.gz NQSWLVBVNCVWTL-OAQYLSRUSA-N 1 0 421.497 2.680 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](C[C@H](O)CC3CCCC3)C2)CC1 ZINC000789309790 1077509253 /nfs/dbraw/zinc/50/92/53/1077509253.db2.gz LPCPUXLKDVOANV-WOJBJXKFSA-N 1 0 423.598 2.719 20 0 HFADRO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)C1 ZINC000789311473 1077509814 /nfs/dbraw/zinc/50/98/14/1077509814.db2.gz KZYMTHODRSUGLN-QGZVFWFLSA-N 1 0 423.941 2.628 20 0 HFADRO CCOc1nc(C)ccc1C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791647601 1077510459 /nfs/dbraw/zinc/51/04/59/1077510459.db2.gz HEPAEJQRFLVJLJ-HKUYNNGSSA-N 1 0 411.502 2.725 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000789312217 1077510500 /nfs/dbraw/zinc/51/05/00/1077510500.db2.gz OMMOGJWXCCQLTQ-MOPGFXCFSA-N 1 0 407.942 2.996 20 0 HFADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2C)[NH+]2CCCC2)cc1 ZINC000789352394 1077513207 /nfs/dbraw/zinc/51/32/07/1077513207.db2.gz GEUZEWBXBMAJDZ-GOSISDBHSA-N 1 0 416.909 2.944 20 0 HFADRO COC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)[C@H]1CCCO1 ZINC000789384151 1077530456 /nfs/dbraw/zinc/53/04/56/1077530456.db2.gz UUYNWYIHJRRISU-LEWJYISDSA-N 1 0 411.502 2.969 20 0 HFADRO Cc1c(Br)ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1F ZINC000789386608 1077532573 /nfs/dbraw/zinc/53/25/73/1077532573.db2.gz CFAFAPRYOKGQLP-LLVKDONJSA-N 1 0 400.292 2.826 20 0 HFADRO O=C(NOCc1ccc(C(F)(F)F)cc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000746805719 1077533106 /nfs/dbraw/zinc/53/31/06/1077533106.db2.gz DGIYRBKXKPSVCP-IAGOWNOFSA-N 1 0 401.429 2.814 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 ZINC000791705782 1077534302 /nfs/dbraw/zinc/53/43/02/1077534302.db2.gz YBCUSKKVGLFIQS-UHFFFAOYSA-N 1 0 410.518 2.907 20 0 HFADRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000789395621 1077537007 /nfs/dbraw/zinc/53/70/07/1077537007.db2.gz ZIKVAGZGOVKNDV-KRWDZBQOSA-O 1 0 416.571 2.986 20 0 HFADRO COC(=O)c1cc(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1F ZINC000746809884 1077551089 /nfs/dbraw/zinc/55/10/89/1077551089.db2.gz GGXLRLJVSSRVOK-OAHLLOKOSA-N 1 0 415.465 2.578 20 0 HFADRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C12CCCC2 ZINC001170105653 1077552908 /nfs/dbraw/zinc/55/29/08/1077552908.db2.gz RCAGHSJBCBONSG-MOPGFXCFSA-N 1 0 406.523 2.656 20 0 HFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)/C=C\c3cnc4ccccc4n3)cc21 ZINC000746806586 1077555793 /nfs/dbraw/zinc/55/57/93/1077555793.db2.gz WKPLPSTVVXVHRE-NTMALXAHSA-N 1 0 403.442 2.751 20 0 HFADRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NC2CCOCC2)cc1 ZINC000789405131 1077561783 /nfs/dbraw/zinc/56/17/83/1077561783.db2.gz SGMJUUPLJZFEMR-UHFFFAOYSA-O 1 0 416.571 2.986 20 0 HFADRO Cc1ccc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2ccc3c(c2)OCCCO3)c1 ZINC000789404769 1077561828 /nfs/dbraw/zinc/56/18/28/1077561828.db2.gz OQWXFEICMJHTEZ-UHFFFAOYSA-O 1 0 424.506 2.896 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)NC[C@@H]2CCCCO2)[n+]2ccc(C(C)(C)C)cc2)n1 ZINC000789406162 1077562341 /nfs/dbraw/zinc/56/23/41/1077562341.db2.gz VZYYNGUEVPDTMD-INIZCTEOSA-O 1 0 416.571 2.770 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1sccc1S(=O)(=O)C(F)F ZINC000791827729 1077576269 /nfs/dbraw/zinc/57/62/69/1077576269.db2.gz ICTIVUZSPNQUNC-CQSZACIVSA-N 1 0 414.499 2.996 20 0 HFADRO CC(C)Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n(C)n1 ZINC000746814394 1077577396 /nfs/dbraw/zinc/57/73/96/1077577396.db2.gz SKAZDCMMQKNAJW-KRWDZBQOSA-N 1 0 405.930 2.630 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000791980691 1077620734 /nfs/dbraw/zinc/62/07/34/1077620734.db2.gz MWPNVVLQNHDLFE-ILXZRYGISA-N 1 0 424.545 2.630 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000791980694 1077620852 /nfs/dbraw/zinc/62/08/52/1077620852.db2.gz MWPNVVLQNHDLFE-JAOJYNAYSA-N 1 0 424.545 2.630 20 0 HFADRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000789565752 1077645924 /nfs/dbraw/zinc/64/59/24/1077645924.db2.gz ULBWYTTYUADFJJ-CYBMUJFWSA-N 1 0 404.417 2.691 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)c1 ZINC000792059138 1077665921 /nfs/dbraw/zinc/66/59/21/1077665921.db2.gz XINRGIFVCXADBY-MRUHUIDDSA-N 1 0 403.523 2.681 20 0 HFADRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000789560343 1077677785 /nfs/dbraw/zinc/67/77/85/1077677785.db2.gz JCYRFQJFZFQVIB-GOSISDBHSA-N 1 0 409.877 2.913 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000792078280 1077684858 /nfs/dbraw/zinc/68/48/58/1077684858.db2.gz ZNIQYPTXQNLJLA-MRXNPFEDSA-N 1 0 412.575 2.622 20 0 HFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)CC2)cc1 ZINC000792045356 1077691487 /nfs/dbraw/zinc/69/14/87/1077691487.db2.gz SEIWWUWHBBCPNZ-HSZRJFAPSA-N 1 0 423.513 2.931 20 0 HFADRO C[NH+](C)CCN(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000792103070 1077697680 /nfs/dbraw/zinc/69/76/80/1077697680.db2.gz FDPQSUPDYADYBA-UHFFFAOYSA-N 1 0 404.555 2.524 20 0 HFADRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)C[C@@H](C)O1 ZINC000746835603 1077705254 /nfs/dbraw/zinc/70/52/54/1077705254.db2.gz BSYRZWCEVWNUJP-KZNAEPCWSA-N 1 0 409.571 2.924 20 0 HFADRO CNS(=O)(=O)CCC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC001203332061 1077711107 /nfs/dbraw/zinc/71/11/07/1077711107.db2.gz LNYSWCVQFVFPKH-UHFFFAOYSA-N 1 0 405.351 2.576 20 0 HFADRO COc1cccc(-c2nc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)c(C)[nH]2)c1 ZINC000792089870 1077711187 /nfs/dbraw/zinc/71/11/87/1077711187.db2.gz INONVIKTDXBSBT-UHFFFAOYSA-N 1 0 400.523 2.967 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC000792137441 1077718981 /nfs/dbraw/zinc/71/89/81/1077718981.db2.gz RHRRSDDJVZWTOW-AUSIDOKSSA-N 1 0 407.514 2.869 20 0 HFADRO CCC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H](O)c1ccccc1 ZINC000792141373 1077720303 /nfs/dbraw/zinc/72/03/03/1077720303.db2.gz JTTJLUGHTWUNEL-LRSLUSHPSA-N 1 0 403.567 2.956 20 0 HFADRO CCC[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H](O)c1ccccc1 ZINC000792141366 1077720412 /nfs/dbraw/zinc/72/04/12/1077720412.db2.gz JTTJLUGHTWUNEL-DXBBTUNJSA-N 1 0 403.567 2.956 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000792150410 1077723455 /nfs/dbraw/zinc/72/34/55/1077723455.db2.gz QEUDZOCHBSZPMM-XZOQPEGZSA-N 1 0 420.557 2.999 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000792161433 1077727175 /nfs/dbraw/zinc/72/71/75/1077727175.db2.gz SVBFMKHZHBKHBU-AVRDEDQJSA-N 1 0 409.571 2.593 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccc(F)c(C[NH+](C)C)c3)C2)c1 ZINC000792180517 1077736703 /nfs/dbraw/zinc/73/67/03/1077736703.db2.gz UXCFBJCAHIWGAP-NRFANRHFSA-N 1 0 415.465 2.714 20 0 HFADRO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792181445 1077737042 /nfs/dbraw/zinc/73/70/42/1077737042.db2.gz ZVMURGPVUWRBOQ-HOJAQTOUSA-N 1 0 402.539 2.675 20 0 HFADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000746847956 1077755036 /nfs/dbraw/zinc/75/50/36/1077755036.db2.gz PGHIMPSKCRLGHW-JYJNAYRXSA-N 1 0 411.543 2.601 20 0 HFADRO O=C(c1nc(Br)ccc1F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000792209825 1077765059 /nfs/dbraw/zinc/76/50/59/1077765059.db2.gz WHKVIILXVOYUSJ-UHFFFAOYSA-N 1 0 400.292 2.700 20 0 HFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792211619 1077766432 /nfs/dbraw/zinc/76/64/32/1077766432.db2.gz IYOJJJDXSADKKO-UHFFFAOYSA-N 1 0 404.555 2.938 20 0 HFADRO C[NH+](C)CCCOC1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000792211548 1077766468 /nfs/dbraw/zinc/76/64/68/1077766468.db2.gz GBKDLOGPTQQSNF-UHFFFAOYSA-N 1 0 420.554 2.930 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3cccc(C[NH+]4CCC(O)CC4)c3)C2)c1 ZINC000792213220 1077767793 /nfs/dbraw/zinc/76/77/93/1077767793.db2.gz YVVFUOXGXKLJER-QFIPXVFZSA-N 1 0 409.486 2.784 20 0 HFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000789748238 1077780299 /nfs/dbraw/zinc/78/02/99/1077780299.db2.gz OIAQLJNYWBHFAG-KRWDZBQOSA-N 1 0 416.522 2.772 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000746851975 1077785499 /nfs/dbraw/zinc/78/54/99/1077785499.db2.gz CQGRXAUSWSIIBQ-QGZVFWFLSA-N 1 0 419.566 2.763 20 0 HFADRO Cc1cc(NC(=O)C(=O)Nc2cnn(C)c2C2CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792268451 1077787473 /nfs/dbraw/zinc/78/74/73/1077787473.db2.gz KIZVMJFRIUGYEY-UHFFFAOYSA-N 1 0 424.549 2.714 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCC[C@@H](C2OCCO2)C1 ZINC000792273880 1077788779 /nfs/dbraw/zinc/78/87/79/1077788779.db2.gz AWKZFSIKFNSFLK-IUDNXUCKSA-N 1 0 405.461 2.586 20 0 HFADRO CCOC(=O)N[C@@H]1CCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792274688 1077789575 /nfs/dbraw/zinc/78/95/75/1077789575.db2.gz HURVLRCAJMLJNT-QQFBHYJXSA-N 1 0 420.476 2.712 20 0 HFADRO Cc1cccc(-n2cc(O)c(C(=O)OCCCN3CC[NH+](C(C)C)CC3)n2)c1C ZINC000792294363 1077792747 /nfs/dbraw/zinc/79/27/47/1077792747.db2.gz MCUQQUHCUPLEDQ-UHFFFAOYSA-N 1 0 400.523 2.768 20 0 HFADRO Cc1cc(NC(=O)C(=O)Nn2cnc3ccccc32)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792295383 1077793219 /nfs/dbraw/zinc/79/32/19/1077793219.db2.gz NAYRDBZEKBHBTE-UHFFFAOYSA-N 1 0 420.517 2.584 20 0 HFADRO Cc1ccc2c(c1)CCN(C(=O)C(=O)Nc1ccc(N3CCC[N@@H+](C)CC3)cc1)C2 ZINC000792299897 1077794906 /nfs/dbraw/zinc/79/49/06/1077794906.db2.gz WGELSPDUFPKJBJ-UHFFFAOYSA-N 1 0 406.530 2.660 20 0 HFADRO CCc1ccccc1-n1cc(O)c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)n1 ZINC000792304768 1077797747 /nfs/dbraw/zinc/79/77/47/1077797747.db2.gz BPYZUEVKIMBENX-UHFFFAOYSA-N 1 0 400.523 2.713 20 0 HFADRO CSc1nc2ccc(NC(=O)C(=O)N(C)CCN3CCOC(C)(C)C3)cc2s1 ZINC000789795550 1077801088 /nfs/dbraw/zinc/80/10/88/1077801088.db2.gz BXMDKSCEABYZQW-UHFFFAOYSA-N 1 0 422.576 2.526 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCSC(C)(C)CC3)cc2)CC1 ZINC000789796700 1077803217 /nfs/dbraw/zinc/80/32/17/1077803217.db2.gz KNRCNKMGHCLNME-UHFFFAOYSA-N 1 0 404.580 2.511 20 0 HFADRO C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792328272 1077809565 /nfs/dbraw/zinc/80/95/65/1077809565.db2.gz ZASHTROQVCIREZ-MRXNPFEDSA-N 1 0 403.527 2.917 20 0 HFADRO CCn1cc([C@H](O)C[N@H+](CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cn1 ZINC000792366105 1077817160 /nfs/dbraw/zinc/81/71/60/1077817160.db2.gz QWAJGFWJNAJCBO-JOCHJYFZSA-N 1 0 418.497 2.735 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1)C1CC[NH+](C)CC1 ZINC000789811688 1077822341 /nfs/dbraw/zinc/82/23/41/1077822341.db2.gz YLGLPGPBVTVTJQ-FCHUYYIVSA-N 1 0 424.520 2.967 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2nc3cccnc3s2)CC1 ZINC000792403157 1077836573 /nfs/dbraw/zinc/83/65/73/1077836573.db2.gz YIBBUKIMCJKUKW-UHFFFAOYSA-N 1 0 424.526 2.937 20 0 HFADRO CN(C(=O)c1ccc(NCc2cc(Br)nn2C)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000789889453 1077837991 /nfs/dbraw/zinc/83/79/91/1077837991.db2.gz GZGWPVZPZPOGFL-INIZCTEOSA-N 1 0 420.355 2.961 20 0 HFADRO CCC[C@@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)[C@@H](O)c1ccccc1 ZINC000792405352 1077838947 /nfs/dbraw/zinc/83/89/47/1077838947.db2.gz BGDKTGKMVPRSJU-NQIIRXRSSA-N 1 0 413.518 2.714 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1nc(Cl)nc2c1CCSC2 ZINC001170166114 1077843603 /nfs/dbraw/zinc/84/36/03/1077843603.db2.gz IPGVDEDPRLRRIR-UHFFFAOYSA-N 1 0 404.927 2.787 20 0 HFADRO COC(=O)c1cnc2cc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)ccc2c1 ZINC001170166700 1077853657 /nfs/dbraw/zinc/85/36/57/1077853657.db2.gz MENGDYJLBNAUNZ-UHFFFAOYSA-N 1 0 405.458 2.890 20 0 HFADRO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792497373 1077868051 /nfs/dbraw/zinc/86/80/51/1077868051.db2.gz JGAWETVTTLKHAL-QZTJIDSGSA-N 1 0 405.564 2.935 20 0 HFADRO CCOC(=O)c1cc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cnc1OCC ZINC001170166990 1077869185 /nfs/dbraw/zinc/86/91/85/1077869185.db2.gz PSZVMEMVNKYMPV-UHFFFAOYSA-N 1 0 413.478 2.525 20 0 HFADRO COc1ccc(-n2ccc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cc2=O)cc1 ZINC001170167540 1077884673 /nfs/dbraw/zinc/88/46/73/1077884673.db2.gz MLZIOEUQSXQUGT-UHFFFAOYSA-N 1 0 419.485 2.714 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)C1(CCOCC1)C(=O)N2 ZINC001170167826 1077885718 /nfs/dbraw/zinc/88/57/18/1077885718.db2.gz PKQRYJIQKQACJQ-UHFFFAOYSA-N 1 0 421.501 2.555 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000792508671 1077896645 /nfs/dbraw/zinc/89/66/45/1077896645.db2.gz GZWDHGGMHIPKGP-KRWDZBQOSA-N 1 0 404.555 2.860 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000792554416 1077901692 /nfs/dbraw/zinc/90/16/92/1077901692.db2.gz YMCLDLWCYSNDPK-UHFFFAOYSA-N 1 0 406.442 2.802 20 0 HFADRO C[NH+](C)CC1(CNC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000790031905 1077904540 /nfs/dbraw/zinc/90/45/40/1077904540.db2.gz HLTWMYDHPPPGOT-UHFFFAOYSA-N 1 0 414.594 2.574 20 0 HFADRO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)c2ccc3c[nH+]cn3c2)c(OC)c1 ZINC000792566536 1077906298 /nfs/dbraw/zinc/90/62/98/1077906298.db2.gz XLCYCFRAPGRPTH-IBGZPJMESA-N 1 0 409.442 2.872 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CCO1 ZINC001170207209 1077906555 /nfs/dbraw/zinc/90/65/55/1077906555.db2.gz KGOSOPFFSIBLGA-MFHCSOCLSA-N 1 0 422.566 2.922 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CCO1 ZINC001170215980 1077909281 /nfs/dbraw/zinc/90/92/81/1077909281.db2.gz GDBYNRWLPMIBPZ-FQBWVUSXSA-N 1 0 402.568 2.662 20 0 HFADRO COc1ccc(NC(=O)c2nnc(COC(=O)c3ccc4c[nH+]cn4c3)s2)cc1 ZINC000792564663 1077912649 /nfs/dbraw/zinc/91/26/49/1077912649.db2.gz JGTUWXPPHCERNG-UHFFFAOYSA-N 1 0 409.427 2.804 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CCO1 ZINC001170236219 1077914062 /nfs/dbraw/zinc/91/40/62/1077914062.db2.gz CQRZJADEWMZGFS-FGTMMUONSA-N 1 0 406.523 2.864 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)cc1 ZINC000790016799 1077914345 /nfs/dbraw/zinc/91/43/45/1077914345.db2.gz UDUVDXWXUKRGCY-UHFFFAOYSA-N 1 0 417.531 2.690 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000790017325 1077914852 /nfs/dbraw/zinc/91/48/52/1077914852.db2.gz AWVLPDYIDOYSPN-HXUWFJFHSA-N 1 0 402.516 2.645 20 0 HFADRO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000790019392 1077915620 /nfs/dbraw/zinc/91/56/20/1077915620.db2.gz RJTUVPAYKGJPIG-HOTGVXAUSA-N 1 0 411.568 2.767 20 0 HFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000790019820 1077916323 /nfs/dbraw/zinc/91/63/23/1077916323.db2.gz RJTUVPAYKGJPIG-IYBDPMFKSA-N 1 0 411.568 2.767 20 0 HFADRO CC[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC)[C@H]3CC2)CCO1 ZINC001170222223 1077916614 /nfs/dbraw/zinc/91/66/14/1077916614.db2.gz PVAOFSSKRIPRIR-VJANTYMQSA-N 1 0 408.564 2.880 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000790025342 1077918079 /nfs/dbraw/zinc/91/80/79/1077918079.db2.gz AKNGJHFVYBWZNC-QGZVFWFLSA-N 1 0 418.437 2.659 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)C1 ZINC001170264649 1077921444 /nfs/dbraw/zinc/92/14/44/1077921444.db2.gz UHNAMDNFXQPRQB-QRVBRYPASA-N 1 0 405.587 2.992 20 0 HFADRO C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000746873292 1077923328 /nfs/dbraw/zinc/92/33/28/1077923328.db2.gz QFJSPOGIYBLVBX-HNNXBMFYSA-N 1 0 420.469 2.610 20 0 HFADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000746872858 1077925882 /nfs/dbraw/zinc/92/58/82/1077925882.db2.gz ZEUYQDHWTNTYKZ-UHFFFAOYSA-N 1 0 411.543 2.651 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[NH+]1CCC2(CC1)COCCN(S(C)(=O)=O)C2 ZINC001170275133 1077926520 /nfs/dbraw/zinc/92/65/20/1077926520.db2.gz UOIMFYPZXUDMSB-INIZCTEOSA-N 1 0 400.972 2.645 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[NH+]1CCC2(CC1)COCCN(S(C)(=O)=O)C2 ZINC001170275134 1077926527 /nfs/dbraw/zinc/92/65/27/1077926527.db2.gz UOIMFYPZXUDMSB-MRXNPFEDSA-N 1 0 400.972 2.645 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnccn2)C1 ZINC001170275903 1077926919 /nfs/dbraw/zinc/92/69/19/1077926919.db2.gz ZQVMUCPYCVNMIR-QUJKESNLSA-N 1 0 414.937 2.828 20 0 HFADRO CC(C)CC(=O)N1CCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000145538808 1077931590 /nfs/dbraw/zinc/93/15/90/1077931590.db2.gz MRXUYRUCOBFJMQ-UHFFFAOYSA-N 1 0 402.608 2.716 20 0 HFADRO CN(C)S(=O)(=O)CCC[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001170300793 1077932173 /nfs/dbraw/zinc/93/21/73/1077932173.db2.gz XMMQZSIKHVWBLC-KRWDZBQOSA-N 1 0 417.616 2.625 20 0 HFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001170280101 1077935811 /nfs/dbraw/zinc/93/58/11/1077935811.db2.gz ACMOUDZRVYVGFW-SJORKVTESA-N 1 0 416.440 2.912 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)N1Cc2nccn2C[C@H](C[NH+]2CCN(C)CC2)C1 ZINC001170281269 1077936877 /nfs/dbraw/zinc/93/68/77/1077936877.db2.gz CMPRSQPWNUQCFB-OALUTQOASA-N 1 0 401.986 2.847 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)O1 ZINC001170282510 1077937271 /nfs/dbraw/zinc/93/72/71/1077937271.db2.gz KTVRAKRKRSEIIM-TXTKFYIRSA-N 1 0 408.502 2.613 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(S(=O)(=O)c3ccccc3F)cc2)O1 ZINC001170283267 1077937375 /nfs/dbraw/zinc/93/73/75/1077937375.db2.gz MJVZIOMHTFONQZ-QWFCFKBJSA-N 1 0 408.495 2.795 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3[nH]c4c(c3c2)CC(=O)Nc2cccnc2-4)O1 ZINC001170284659 1077937633 /nfs/dbraw/zinc/93/76/33/1077937633.db2.gz SNBZPNUUCKGYMF-PWHSHALESA-N 1 0 421.501 2.861 20 0 HFADRO C[NH+]1CCN(c2cccc(-c3noc(-c4cn(Cc5ccccc5)nn4)n3)c2)CC1 ZINC001212601087 1077939495 /nfs/dbraw/zinc/93/94/95/1077939495.db2.gz BMPOSGYULSXBIY-UHFFFAOYSA-N 1 0 401.474 2.795 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC001170321137 1077942625 /nfs/dbraw/zinc/94/26/25/1077942625.db2.gz QKTROQFQBAHHEC-SFHVURJKSA-N 1 0 422.451 2.970 20 0 HFADRO CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)c1 ZINC001170321923 1077943041 /nfs/dbraw/zinc/94/30/41/1077943041.db2.gz WLMJXDCCCUGPIY-ZEVQVBBLSA-N 1 0 420.435 2.892 20 0 HFADRO CCS(=O)(=O)c1ccc(CNc2ncc(OCC3CC[NH+](C)CC3)cn2)cc1 ZINC001170322073 1077943323 /nfs/dbraw/zinc/94/33/23/1077943323.db2.gz FAWUCGXBLSBIMP-UHFFFAOYSA-N 1 0 404.536 2.603 20 0 HFADRO CC1(C)C[C@@H](O)CC[N@H+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C1 ZINC001170307764 1077948081 /nfs/dbraw/zinc/94/80/81/1077948081.db2.gz HXANAKQEYGMJKU-SFHVURJKSA-N 1 0 402.535 2.826 20 0 HFADRO COc1cccc(CNC(=O)c2cc3ccc(-n4[nH]c(=O)c(CC[NH3+])c4C)cc3[nH]2)c1 ZINC001170344051 1077954204 /nfs/dbraw/zinc/95/42/04/1077954204.db2.gz BCNCRUIWMSPIFJ-UHFFFAOYSA-N 1 0 419.485 2.807 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000772817510 1077956285 /nfs/dbraw/zinc/95/62/85/1077956285.db2.gz WWNFTZRNQDTEEH-NRFANRHFSA-N 1 0 411.502 2.733 20 0 HFADRO CC1(C)[C@H]([NH2+]CC(=O)NCCOc2cccc(C(F)(F)F)c2)[C@@H]2CCCO[C@H]21 ZINC001170385228 1077956778 /nfs/dbraw/zinc/95/67/78/1077956778.db2.gz GQJUFCAOADTECB-CGTJXYLNSA-N 1 0 400.441 2.994 20 0 HFADRO C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nnnn1C1CC1 ZINC000790124244 1077958935 /nfs/dbraw/zinc/95/89/35/1077958935.db2.gz MUGZLVQWWWETQI-ZDUSSCGKSA-N 1 0 403.918 2.686 20 0 HFADRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)Nc2cccc(I)c2)C1(C)C ZINC001170400324 1077965084 /nfs/dbraw/zinc/96/50/84/1077965084.db2.gz SJDAPCWGMJPZOM-WKPIXPDZSA-N 1 0 402.276 2.879 20 0 HFADRO COCC(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)cc1 ZINC000790183732 1077965268 /nfs/dbraw/zinc/96/52/68/1077965268.db2.gz VJDBAHLLJRCOQC-UHFFFAOYSA-N 1 0 414.506 2.876 20 0 HFADRO CC(C)c1nnc(N(C)CCOc2ccccc2Cl)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001691696231 1077965484 /nfs/dbraw/zinc/96/54/84/1077965484.db2.gz RMQGNEJZVGFPTE-FQEVSTJZSA-N 1 0 407.946 2.637 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccc(C[C@H](C[NH3+])C(=O)OC)cc1 ZINC001170403415 1077965769 /nfs/dbraw/zinc/96/57/69/1077965769.db2.gz AQRIXDPKCCXYSY-XLIONFOSSA-N 1 0 402.466 2.702 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000790187455 1077966789 /nfs/dbraw/zinc/96/67/89/1077966789.db2.gz BCTCQDDGPBZFCG-UGKGYDQZSA-N 1 0 411.550 2.633 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001170412217 1077966850 /nfs/dbraw/zinc/96/68/50/1077966850.db2.gz OCIJAKGCFOAKKM-SFHVURJKSA-N 1 0 405.539 2.879 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1I ZINC000792671411 1077969571 /nfs/dbraw/zinc/96/95/71/1077969571.db2.gz YMMVSXBNTVTMEO-HNNXBMFYSA-N 1 0 421.282 2.938 20 0 HFADRO COCCN(CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)C(=O)OC(C)(C)C ZINC000790238965 1077974115 /nfs/dbraw/zinc/97/41/15/1077974115.db2.gz SUHMLLYRUDDSDR-QGZVFWFLSA-N 1 0 407.511 2.894 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1nnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000790249832 1077976856 /nfs/dbraw/zinc/97/68/56/1077976856.db2.gz KYTXOOMSOOWGDO-WFASDCNBSA-N 1 0 413.448 2.672 20 0 HFADRO COc1csc(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000747085801 1077980896 /nfs/dbraw/zinc/98/08/96/1077980896.db2.gz FEKIPFAVWIEUEO-UHFFFAOYSA-N 1 0 402.516 2.956 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC(c4cccnc4)=NO3)cc2)C[C@H](C)O1 ZINC000790288158 1077986157 /nfs/dbraw/zinc/98/61/57/1077986157.db2.gz FKZSGCOVNAPHHI-HYFFOGBASA-N 1 0 408.502 2.500 20 0 HFADRO S=C(NCCc1ccc2c(c1)OCCO2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772821254 1077992540 /nfs/dbraw/zinc/99/25/40/1077992540.db2.gz WWYZQFXWUAQJSN-PKOBYXMFSA-N 1 0 401.576 2.824 20 0 HFADRO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000790312730 1077994465 /nfs/dbraw/zinc/99/44/65/1077994465.db2.gz RVHVWJVEKVRHQZ-DQXYTYHJSA-N 1 0 407.555 2.677 20 0 HFADRO C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1nnnn1C1CC1 ZINC000790306438 1078000007 /nfs/dbraw/zinc/00/00/07/1078000007.db2.gz RKIYWQIOLCRDFZ-AWEZNQCLSA-N 1 0 417.945 2.934 20 0 HFADRO CCc1ccc([C@H]2CN(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CCO2)cc1 ZINC000790363668 1078004972 /nfs/dbraw/zinc/00/49/72/1078004972.db2.gz ZACTUKZMDRRZKI-FCHUYYIVSA-N 1 0 401.551 2.975 20 0 HFADRO COc1ccccc1-c1nc(C2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)no1 ZINC000790333477 1078005966 /nfs/dbraw/zinc/00/59/66/1078005966.db2.gz RUCQSAABRNVENO-UHFFFAOYSA-N 1 0 415.563 2.893 20 0 HFADRO CN(CCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(=O)OCc1ccccc1 ZINC000792825512 1078006310 /nfs/dbraw/zinc/00/63/10/1078006310.db2.gz WZFRAOJSYKOFKE-UHFFFAOYSA-N 1 0 417.550 2.796 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCO[C@@H](c3ccc(F)cc3Cl)C1)C[NH+]1CCC2CC1 ZINC000790382100 1078009529 /nfs/dbraw/zinc/00/95/29/1078009529.db2.gz DFEBQLJSIPIYAK-UYAOXDASSA-N 1 0 409.889 2.727 20 0 HFADRO C[C@@]1(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792858902 1078010253 /nfs/dbraw/zinc/01/02/53/1078010253.db2.gz MWFXEXUVVQPOKU-PGRDOPGGSA-N 1 0 400.523 2.571 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000792843034 1078012925 /nfs/dbraw/zinc/01/29/25/1078012925.db2.gz YMKMSWKXEULPTH-UHFFFAOYSA-N 1 0 423.517 2.639 20 0 HFADRO C[C@@H](c1ccccc1Cl)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365341 1078015178 /nfs/dbraw/zinc/01/51/78/1078015178.db2.gz FYVLGGPXLVZWKX-HTAPYJJXSA-N 1 0 418.969 2.893 20 0 HFADRO COc1ccc(CN(C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1OC(F)F ZINC000790372124 1078016796 /nfs/dbraw/zinc/01/67/96/1078016796.db2.gz YFUMBXHARLNLKS-FQEVSTJZSA-N 1 0 411.449 2.603 20 0 HFADRO COc1ccc(OC)c([C@H]2CCCN2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790371181 1078017072 /nfs/dbraw/zinc/01/70/72/1078017072.db2.gz VOXWNJJCBUXLQA-DENIHFKCSA-N 1 0 401.507 2.715 20 0 HFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792908545 1078020880 /nfs/dbraw/zinc/02/08/80/1078020880.db2.gz PIDBUKISVJPYBP-SIKLNZKXSA-N 1 0 402.539 2.819 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]Cc2ccnc(N3CCOCC3)c2)CC1 ZINC000790462914 1078028187 /nfs/dbraw/zinc/02/81/87/1078028187.db2.gz HSWTYXSFWFYYHZ-UHFFFAOYSA-N 1 0 410.518 2.809 20 0 HFADRO C[C@@H]1C[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000792973969 1078030519 /nfs/dbraw/zinc/03/05/19/1078030519.db2.gz PFIODEZOOSTVIW-XHSDSOJGSA-N 1 0 401.548 2.592 20 0 HFADRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792973826 1078030544 /nfs/dbraw/zinc/03/05/44/1078030544.db2.gz NYHDJSBVLDOLJO-RDJZCZTQSA-N 1 0 413.509 2.919 20 0 HFADRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Br)n2)[NH+](C)C)cc1 ZINC000792948457 1078032503 /nfs/dbraw/zinc/03/25/03/1078032503.db2.gz VBCHDMNTVRNZGQ-HNNXBMFYSA-N 1 0 419.323 2.764 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2ccc1Br ZINC000790442661 1078033172 /nfs/dbraw/zinc/03/31/72/1078033172.db2.gz OGSNOJVGLNUHAF-XJKSGUPXSA-N 1 0 421.339 2.959 20 0 HFADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)n3)cc2)C[C@H](C)O1 ZINC000792952907 1078034206 /nfs/dbraw/zinc/03/42/06/1078034206.db2.gz WEADFRPZYQMOIK-GJZGRUSLSA-N 1 0 416.909 2.599 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000790450815 1078035372 /nfs/dbraw/zinc/03/53/72/1078035372.db2.gz QBPLHBFJYVYMSX-AWEZNQCLSA-N 1 0 423.348 2.996 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000792961167 1078036576 /nfs/dbraw/zinc/03/65/76/1078036576.db2.gz VFSSJLVPDILFII-ZDUSSCGKSA-N 1 0 405.308 2.996 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)nc1Br ZINC000792968696 1078038346 /nfs/dbraw/zinc/03/83/46/1078038346.db2.gz KVMRMMMMWNCZMI-UHFFFAOYSA-N 1 0 411.344 2.670 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Br)n2)[NH+](C)C)cc1 ZINC000792969236 1078038843 /nfs/dbraw/zinc/03/88/43/1078038843.db2.gz PGDOEFFGXCGOCW-AWEZNQCLSA-N 1 0 405.296 2.510 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)nc1Br ZINC000792989512 1078042010 /nfs/dbraw/zinc/04/20/10/1078042010.db2.gz NABLAOPIBIGHBJ-UHFFFAOYSA-N 1 0 409.328 2.568 20 0 HFADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000792989831 1078042513 /nfs/dbraw/zinc/04/25/13/1078042513.db2.gz ZEHYJSSQXJIJSR-AWEZNQCLSA-N 1 0 411.344 2.862 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000790486437 1078042593 /nfs/dbraw/zinc/04/25/93/1078042593.db2.gz OMDQLSUCDSRFFD-IEBWSBKVSA-N 1 0 419.570 2.553 20 0 HFADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CCCc2nc(C)ncc21 ZINC000806239885 1079516411 /nfs/dbraw/zinc/51/64/11/1079516411.db2.gz ROOLAQBOEUWAAP-JOCHJYFZSA-N 1 0 423.561 2.649 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000806254934 1079523204 /nfs/dbraw/zinc/52/32/04/1079523204.db2.gz XLMRPRIHAZBRGW-HKBOAZHASA-N 1 0 419.541 2.621 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000806306751 1079557806 /nfs/dbraw/zinc/55/78/06/1079557806.db2.gz HFKARPNIGBSZLN-MSOLQXFVSA-N 1 0 420.558 2.700 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000806307692 1079559649 /nfs/dbraw/zinc/55/96/49/1079559649.db2.gz HFMPHZCRIRQGBI-UXHICEINSA-N 1 0 404.555 2.812 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000806308541 1079562373 /nfs/dbraw/zinc/56/23/73/1079562373.db2.gz UVCRRFMRYALCCS-UXHICEINSA-N 1 0 404.555 2.858 20 0 HFADRO C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)[C@@H](C)C[N@@H+]1C ZINC001130589765 1079570662 /nfs/dbraw/zinc/57/06/62/1079570662.db2.gz RCHRFWSRYKNPCP-YVSFHVDLSA-N 1 0 407.942 2.507 20 0 HFADRO O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806288363 1079574304 /nfs/dbraw/zinc/57/43/04/1079574304.db2.gz VFTWAKICJLBGAI-XBCQCDMNSA-N 1 0 413.562 2.794 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000806294302 1079583292 /nfs/dbraw/zinc/58/32/92/1079583292.db2.gz CLJIIWXRBRTRBV-UHFFFAOYSA-N 1 0 404.511 2.699 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)[C@@](N)(c3cccc(F)c3)C(F)(F)F)cc2)CC1 ZINC000806353723 1079625733 /nfs/dbraw/zinc/62/57/33/1079625733.db2.gz SGTXSBAABMLWER-IBGZPJMESA-N 1 0 410.415 2.933 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000806377315 1079626773 /nfs/dbraw/zinc/62/67/73/1079626773.db2.gz JQQMZKZPGOXIDV-IBGZPJMESA-N 1 0 420.554 2.779 20 0 HFADRO C[C@@]1(NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001130609922 1079629399 /nfs/dbraw/zinc/62/93/99/1079629399.db2.gz NMMXSOBWVOTTMY-XUZZJYLKSA-N 1 0 406.530 2.715 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000806434023 1079680118 /nfs/dbraw/zinc/68/01/18/1079680118.db2.gz ZUCRSAFAILYPBL-IBGZPJMESA-N 1 0 402.539 2.743 20 0 HFADRO CC[C@@H](CNC(=O)N1CCCC[C@@H]1COC(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC000806397781 1079685862 /nfs/dbraw/zinc/68/58/62/1079685862.db2.gz QHVSKWUWYRTQGL-VQTJNVASSA-N 1 0 402.539 2.743 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cnc(C4OCCO4)s3)cc2)C[C@@H](C)O1 ZINC000806442058 1079710993 /nfs/dbraw/zinc/71/09/93/1079710993.db2.gz JFRPIZZTMWKHLM-HUUCEWRRSA-N 1 0 417.531 2.728 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)NCC(=O)NCc2ccccc2)[NH+](C)C)cc1 ZINC000806444379 1079713825 /nfs/dbraw/zinc/71/38/25/1079713825.db2.gz UFBVEEIJKCKOEZ-NRFANRHFSA-N 1 0 412.534 2.692 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000806480382 1079765230 /nfs/dbraw/zinc/76/52/30/1079765230.db2.gz KJACLZAKKKMRDY-UHFFFAOYSA-N 1 0 418.582 2.699 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)CC1 ZINC000806540961 1079778588 /nfs/dbraw/zinc/77/85/88/1079778588.db2.gz MVZXYEONONDWMC-FQEVSTJZSA-N 1 0 424.586 2.530 20 0 HFADRO C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1ccc[nH]1 ZINC000806527263 1079801565 /nfs/dbraw/zinc/80/15/65/1079801565.db2.gz XLCBPKAKMNKVKN-CQSZACIVSA-N 1 0 421.339 2.545 20 0 HFADRO CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)C1=O ZINC001130668173 1079818743 /nfs/dbraw/zinc/81/87/43/1079818743.db2.gz DVEZVUIOAAYSDJ-KSZLIROESA-N 1 0 414.550 2.607 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000747334661 1079833085 /nfs/dbraw/zinc/83/30/85/1079833085.db2.gz HPHDLMHDDVKJDZ-UHFFFAOYSA-N 1 0 403.523 2.899 20 0 HFADRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806600388 1079842709 /nfs/dbraw/zinc/84/27/09/1079842709.db2.gz NXUYYPXZTGIXFJ-IBGZPJMESA-N 1 0 416.953 2.667 20 0 HFADRO COc1cccc(C[N@@H+]2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001137530956 1079847003 /nfs/dbraw/zinc/84/70/03/1079847003.db2.gz HGFQOGAXLRHEFS-JOCHJYFZSA-N 1 0 400.523 2.810 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000747342027 1079874402 /nfs/dbraw/zinc/87/44/02/1079874402.db2.gz JRPXQWVMRIAYGZ-RTWAWAEBSA-N 1 0 421.541 2.671 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000806638018 1079895313 /nfs/dbraw/zinc/89/53/13/1079895313.db2.gz BUSOFRDYVCBDOB-QGZVFWFLSA-N 1 0 408.568 2.880 20 0 HFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000806699562 1079921492 /nfs/dbraw/zinc/92/14/92/1079921492.db2.gz XNNNZKZYZYDBNB-FQEVSTJZSA-N 1 0 423.598 2.539 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000806741690 1079932499 /nfs/dbraw/zinc/93/24/99/1079932499.db2.gz MVXZSIZZOOWFFX-IBGZPJMESA-N 1 0 424.586 2.722 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000806728188 1079951830 /nfs/dbraw/zinc/95/18/30/1079951830.db2.gz LHBRVACTWVBHHW-AZUAARDMSA-N 1 0 415.578 2.643 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806735630 1079960986 /nfs/dbraw/zinc/96/09/86/1079960986.db2.gz ATKVMCMMGFRPAS-DNVJHFABSA-N 1 0 409.530 2.795 20 0 HFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806753663 1079968832 /nfs/dbraw/zinc/96/88/32/1079968832.db2.gz XHNLFPSNUVFETG-NZQKXSOJSA-N 1 0 410.562 2.568 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC001130731216 1080003120 /nfs/dbraw/zinc/00/31/20/1080003120.db2.gz ZBMXSZKLUFLNBX-UHFFFAOYSA-N 1 0 423.355 2.643 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000806850082 1080035776 /nfs/dbraw/zinc/03/57/76/1080035776.db2.gz KOIDAUYQVOFVCI-UHFFFAOYSA-N 1 0 409.530 2.895 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc(-c2ccco2)cs1 ZINC000806851321 1080036318 /nfs/dbraw/zinc/03/63/18/1080036318.db2.gz NKUXGIBHWOFMIX-UHFFFAOYSA-N 1 0 412.515 2.975 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000806852128 1080057939 /nfs/dbraw/zinc/05/79/39/1080057939.db2.gz JRDUHOIRLHEAEA-UHFFFAOYSA-N 1 0 401.551 2.967 20 0 HFADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1OCC(F)F)[NH+]1CCCCC1 ZINC000806856387 1080060637 /nfs/dbraw/zinc/06/06/37/1080060637.db2.gz FOUCRWXRANCCQR-LBPRGKRZSA-N 1 0 403.857 2.913 20 0 HFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Br)ncc1Cl ZINC000806861416 1080063969 /nfs/dbraw/zinc/06/39/69/1080063969.db2.gz MYQNRGOJNCDKIR-GFCCVEGCSA-N 1 0 402.720 2.871 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000806862862 1080065634 /nfs/dbraw/zinc/06/56/34/1080065634.db2.gz REUOCBKDNCNKRW-SFTDATJTSA-N 1 0 410.518 2.711 20 0 HFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3cccc(C(C)(C)O)c3)C2)CC1 ZINC000806879967 1080078858 /nfs/dbraw/zinc/07/88/58/1080078858.db2.gz LYBACPRFKRKJNT-GOSISDBHSA-N 1 0 401.551 2.823 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2c1 ZINC000806919942 1080089297 /nfs/dbraw/zinc/08/92/97/1080089297.db2.gz SCXTZEQDRQMXPP-NRFANRHFSA-N 1 0 411.502 2.547 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)ccc2c1 ZINC000806919945 1080089309 /nfs/dbraw/zinc/08/93/09/1080089309.db2.gz SCXTZEQDRQMXPP-OAQYLSRUSA-N 1 0 411.502 2.547 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1cccs1 ZINC000806923285 1080091591 /nfs/dbraw/zinc/09/15/91/1080091591.db2.gz GQTBPSXYHRMEST-NFAWXSAZSA-N 1 0 403.470 2.801 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000806923287 1080092138 /nfs/dbraw/zinc/09/21/38/1080092138.db2.gz GQTBPSXYHRMEST-VNHYZAJKSA-N 1 0 403.470 2.801 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000806901126 1080108518 /nfs/dbraw/zinc/10/85/18/1080108518.db2.gz GBPHDJNQXZYUDP-GOSISDBHSA-N 1 0 405.461 2.921 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000806903222 1080109751 /nfs/dbraw/zinc/10/97/51/1080109751.db2.gz OBKOELKNAIILNK-LJQANCHMSA-N 1 0 412.575 2.576 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)C1CC1 ZINC000806985145 1080197221 /nfs/dbraw/zinc/19/72/21/1080197221.db2.gz BUGNRAPOOJPZOM-NRFANRHFSA-N 1 0 409.530 2.879 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000807055389 1080238636 /nfs/dbraw/zinc/23/86/36/1080238636.db2.gz UFFPNGIEUQLZMG-WFASDCNBSA-N 1 0 405.486 2.682 20 0 HFADRO C[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@@H]1c1ccccc1 ZINC000807088252 1080266658 /nfs/dbraw/zinc/26/66/58/1080266658.db2.gz NERQWHNUAFJPPB-VABKMULXSA-N 1 0 421.541 2.832 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000807089582 1080267592 /nfs/dbraw/zinc/26/75/92/1080267592.db2.gz IAOBDMFORPXAFL-VXKWHMMOSA-N 1 0 413.562 2.747 20 0 HFADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807090314 1080270221 /nfs/dbraw/zinc/27/02/21/1080270221.db2.gz QBUYDTRXWIAAIG-QFIPXVFZSA-N 1 0 415.578 2.851 20 0 HFADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807090313 1080270232 /nfs/dbraw/zinc/27/02/32/1080270232.db2.gz QBUYDTRXWIAAIG-JOCHJYFZSA-N 1 0 415.578 2.851 20 0 HFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807091951 1080270508 /nfs/dbraw/zinc/27/05/08/1080270508.db2.gz QDVYPZZERGNJLV-NHCUHLMSSA-N 1 0 401.551 2.603 20 0 HFADRO CC(C)NC(=O)CSc1ccccc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000747372769 1080286008 /nfs/dbraw/zinc/28/60/08/1080286008.db2.gz AVZNQKCWCKKULN-NZSAHSFTSA-N 1 0 419.591 2.627 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000807112660 1080289990 /nfs/dbraw/zinc/28/99/90/1080289990.db2.gz ACVAVLQGFCNZBG-QFBILLFUSA-N 1 0 414.937 2.720 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807113848 1080290438 /nfs/dbraw/zinc/29/04/38/1080290438.db2.gz IKECZIJJASANGP-IHPCNDPISA-N 1 0 402.539 2.817 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)N(C)OCc1ccccc1 ZINC000807115074 1080291657 /nfs/dbraw/zinc/29/16/57/1080291657.db2.gz VAVGZPBNHKODGL-RTBURBONSA-N 1 0 409.530 2.849 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)no1 ZINC000807114413 1080292056 /nfs/dbraw/zinc/29/20/56/1080292056.db2.gz MJDJAXCSCFDCCS-LZJOCLMNSA-N 1 0 424.545 2.919 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000807148316 1080304826 /nfs/dbraw/zinc/30/48/26/1080304826.db2.gz VIOYZLUQMVEYEF-UXHICEINSA-N 1 0 402.539 2.817 20 0 HFADRO CCOC(=O)N1CCC([C@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)CC1 ZINC000807149721 1080306171 /nfs/dbraw/zinc/30/61/71/1080306171.db2.gz GTSBEZNKVIUEDW-OXJNMPFZSA-N 1 0 420.554 2.854 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)ccc1=O ZINC000807156596 1080314202 /nfs/dbraw/zinc/31/42/02/1080314202.db2.gz HHRVFPORKNWVAW-HXUWFJFHSA-N 1 0 402.882 2.585 20 0 HFADRO COCCn1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c(=O)cc1C ZINC000807192549 1080341969 /nfs/dbraw/zinc/34/19/69/1080341969.db2.gz ITMHOZDPAGDYQI-UHFFFAOYSA-N 1 0 412.534 2.586 20 0 HFADRO CS[C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807200029 1080348548 /nfs/dbraw/zinc/34/85/48/1080348548.db2.gz CEJRAVBDIBNSSR-NNMXDRDESA-N 1 0 403.592 2.805 20 0 HFADRO CCNC(=O)C[C@@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807204146 1080350228 /nfs/dbraw/zinc/35/02/28/1080350228.db2.gz WIFDYNLKKVFLGW-NZQKXSOJSA-N 1 0 400.567 2.989 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)C2)cc1F ZINC000807213344 1080365349 /nfs/dbraw/zinc/36/53/49/1080365349.db2.gz FCTQVFFGORBAJU-XIRDDKMYSA-N 1 0 404.486 2.596 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000807215601 1080368372 /nfs/dbraw/zinc/36/83/72/1080368372.db2.gz WEFZWTLVYCXUFT-IBGZPJMESA-N 1 0 400.523 2.632 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000807181264 1080375353 /nfs/dbraw/zinc/37/53/53/1080375353.db2.gz PJLKLSFSYLYSAB-RBUKOAKNSA-N 1 0 412.575 2.578 20 0 HFADRO CN1CCc2nc3ccccc3c(C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)c2C1 ZINC000747377774 1080380088 /nfs/dbraw/zinc/38/00/88/1080380088.db2.gz ZUCHYGDILUTRDG-KNXBSLHKSA-N 1 0 408.546 2.546 20 0 HFADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000747381974 1080389834 /nfs/dbraw/zinc/38/98/34/1080389834.db2.gz YTTNSHJKRWXODG-GOSISDBHSA-N 1 0 417.579 2.502 20 0 HFADRO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807246628 1080403487 /nfs/dbraw/zinc/40/34/87/1080403487.db2.gz NDNVERQGCXJQNN-FVELJTHGSA-N 1 0 407.599 2.857 20 0 HFADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@@H](c4ccccn4)C3)CC2)C1 ZINC001170519721 1080403589 /nfs/dbraw/zinc/40/35/89/1080403589.db2.gz RCEWYVQLASRNEB-TZIWHRDSSA-N 1 0 412.578 2.758 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC000807254058 1080412383 /nfs/dbraw/zinc/41/23/83/1080412383.db2.gz QFJKMKQKEKUBEI-SFHVURJKSA-N 1 0 403.523 2.645 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccccc1-c1noc(C)n1)c1ccco1 ZINC000807310528 1080504856 /nfs/dbraw/zinc/50/48/56/1080504856.db2.gz LPFOUEILZMAPJC-GUYCJALGSA-N 1 0 411.462 2.822 20 0 HFADRO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000807354120 1080514406 /nfs/dbraw/zinc/51/44/06/1080514406.db2.gz FVCQZYBEPMZWKW-RDJZCZTQSA-N 1 0 401.507 2.620 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000807355175 1080516351 /nfs/dbraw/zinc/51/63/51/1080516351.db2.gz PJJXTSXSGRSCCE-APWZRJJASA-N 1 0 401.507 2.667 20 0 HFADRO Cc1ccc([C@H](O)[C@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000807347997 1080553341 /nfs/dbraw/zinc/55/33/41/1080553341.db2.gz RWIXBTYJZKUDGI-CWFSZBLJSA-N 1 0 411.502 2.557 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000807394549 1080561373 /nfs/dbraw/zinc/56/13/73/1080561373.db2.gz SAIDDSAZNFMFBA-KRWDZBQOSA-N 1 0 404.511 2.963 20 0 HFADRO C[C@@H](CNC(=O)c1ccccc1CSC1=NCCS1)C[NH+]1CCN(C)CC1 ZINC000747394614 1080570162 /nfs/dbraw/zinc/57/01/62/1080570162.db2.gz VGYKMBYSUPBXQO-INIZCTEOSA-N 1 0 406.621 2.636 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1cnc(OCCOC)cn1 ZINC001170522722 1080585459 /nfs/dbraw/zinc/58/54/59/1080585459.db2.gz SCHMDOZJKASOJP-UHFFFAOYSA-N 1 0 412.490 2.637 20 0 HFADRO Cc1cc(C)cc(CCNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807427349 1080587909 /nfs/dbraw/zinc/58/79/09/1080587909.db2.gz QYNYOEVDYFSBIN-RUZDIDTESA-N 1 0 407.558 2.991 20 0 HFADRO COc1cc(OC)cc([C@H](O)CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000807400013 1080595122 /nfs/dbraw/zinc/59/51/22/1080595122.db2.gz WFFGYWOLVOFRHN-LPTQZCDUSA-N 1 0 401.507 2.728 20 0 HFADRO COc1ccc(OC)c([C@H](O)CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000807401265 1080596277 /nfs/dbraw/zinc/59/62/77/1080596277.db2.gz LNEZVRHXTIGCIJ-QFIXIFRTSA-N 1 0 401.507 2.728 20 0 HFADRO CN(C)c1ccc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1Cl ZINC000807413187 1080608797 /nfs/dbraw/zinc/60/87/97/1080608797.db2.gz FQIQWXMNCGOETA-UHFFFAOYSA-N 1 0 406.914 2.918 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1C ZINC000807413395 1080608939 /nfs/dbraw/zinc/60/89/39/1080608939.db2.gz MQZDNTRSKUANGK-UHFFFAOYSA-N 1 0 416.478 2.685 20 0 HFADRO COC(=O)Nc1cc(NC(=O)C(=O)N(C)CCC[N@H+](C)Cc2ccco2)ccc1F ZINC000807413909 1080611829 /nfs/dbraw/zinc/61/18/29/1080611829.db2.gz YZQXSRPKFXOFAL-UHFFFAOYSA-N 1 0 420.441 2.516 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000807454617 1080635430 /nfs/dbraw/zinc/63/54/30/1080635430.db2.gz WXLUYRPAYGCHHN-VQIMIIECSA-N 1 0 401.507 2.667 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)c1ccco1 ZINC000807441169 1080661700 /nfs/dbraw/zinc/66/17/00/1080661700.db2.gz BPWKLJDVJLRPOS-CVEARBPZSA-N 1 0 407.584 2.917 20 0 HFADRO CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000807486090 1080668755 /nfs/dbraw/zinc/66/87/55/1080668755.db2.gz BVTAFAITDVMCPQ-LJQANCHMSA-N 1 0 415.465 2.750 20 0 HFADRO Cc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000807486759 1080670241 /nfs/dbraw/zinc/67/02/41/1080670241.db2.gz WEICWHZIXWZBJA-HNNXBMFYSA-N 1 0 423.286 2.649 20 0 HFADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 ZINC000807511983 1080719050 /nfs/dbraw/zinc/71/90/50/1080719050.db2.gz HHXIQJFALYWNAS-UHFFFAOYSA-N 1 0 415.578 2.513 20 0 HFADRO CN(C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)C1CCC(F)(F)CC1 ZINC000807534684 1080750133 /nfs/dbraw/zinc/75/01/33/1080750133.db2.gz WLWBETZGPHQKEZ-UHFFFAOYSA-N 1 0 408.493 2.803 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1C ZINC000807543477 1080758363 /nfs/dbraw/zinc/75/83/63/1080758363.db2.gz OVZCLCBKNXWZRS-OXQOHEQNSA-N 1 0 424.501 2.891 20 0 HFADRO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)cc2C1 ZINC000807543632 1080760264 /nfs/dbraw/zinc/76/02/64/1080760264.db2.gz JWYCSGXZPOGWTB-HVETUWLQSA-N 1 0 407.514 2.518 20 0 HFADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543549 1080761091 /nfs/dbraw/zinc/76/10/91/1080761091.db2.gz IQESSYBYVMTGMS-OXJNMPFZSA-N 1 0 424.501 2.607 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C)CCC2 ZINC000807546917 1080763589 /nfs/dbraw/zinc/76/35/89/1080763589.db2.gz SLGUXJLSOXQPIP-KYNGSXCRSA-N 1 0 412.559 2.582 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807551640 1080768146 /nfs/dbraw/zinc/76/81/46/1080768146.db2.gz XSVPDTRRFKJOIW-DYESRHJHSA-N 1 0 412.575 2.575 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)cccc1F ZINC000807522184 1080774233 /nfs/dbraw/zinc/77/42/33/1080774233.db2.gz SSCHZXLHOFENTD-LJQANCHMSA-N 1 0 412.509 2.658 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCCSC3)cc2F)CC1 ZINC000807522608 1080775953 /nfs/dbraw/zinc/77/59/53/1080775953.db2.gz ZWLFYYFARKAEIR-HNNXBMFYSA-N 1 0 422.570 2.554 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000807524947 1080777703 /nfs/dbraw/zinc/77/77/03/1080777703.db2.gz QJAFNRLKBDURQQ-FQEVSTJZSA-N 1 0 402.539 2.771 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000807526302 1080778072 /nfs/dbraw/zinc/77/80/72/1080778072.db2.gz BDBMVQBXGHYAKA-GOSISDBHSA-N 1 0 402.539 2.771 20 0 HFADRO Cc1cc(CNC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)ccc1Cl ZINC000807582094 1080794102 /nfs/dbraw/zinc/79/41/02/1080794102.db2.gz SHUWXXJNNUZAIA-UHFFFAOYSA-N 1 0 401.938 2.898 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000807583082 1080794912 /nfs/dbraw/zinc/79/49/12/1080794912.db2.gz ZBCRLWZSANABRJ-HHXXYDBFSA-N 1 0 416.547 2.907 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000807560077 1080815043 /nfs/dbraw/zinc/81/50/43/1080815043.db2.gz LMZMABNDJCVSHQ-UHFFFAOYSA-N 1 0 424.879 2.528 20 0 HFADRO OCC1([NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)Cc2ccccc2C1 ZINC000553790366 1126096982 /nfs/dbraw/zinc/09/69/82/1126096982.db2.gz TZRBQABADTWRKS-UHFFFAOYSA-N 1 0 416.949 2.671 20 0 HFADRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1 ZINC000466921267 1126094431 /nfs/dbraw/zinc/09/44/31/1126094431.db2.gz WUPVSOILUDZQMC-NRFANRHFSA-N 1 0 412.530 2.698 20 0 HFADRO OC[C@]1([NH2+]Cc2nccn2CC(F)F)CCc2cc(Br)ccc2C1 ZINC001171949495 1126148561 /nfs/dbraw/zinc/14/85/61/1126148561.db2.gz TYGSLIKNKKCPHZ-KRWDZBQOSA-N 1 0 400.267 2.920 20 0 HFADRO COc1ccc2nc(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)[nH]c2n1 ZINC001198219745 1126155115 /nfs/dbraw/zinc/15/51/15/1126155115.db2.gz RTYZWKTXELWASK-GOSISDBHSA-N 1 0 405.296 2.812 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC001474698114 1126205324 /nfs/dbraw/zinc/20/53/24/1126205324.db2.gz LTNJRCLDGOEHHJ-NRFANRHFSA-N 1 0 402.495 2.916 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)s1 ZINC001560182173 1126208358 /nfs/dbraw/zinc/20/83/58/1126208358.db2.gz ATNVPBYHHJVRRO-KRWDZBQOSA-N 1 0 402.969 2.735 20 0 HFADRO Cn1ncc2cc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)cnc21 ZINC001560532523 1126211714 /nfs/dbraw/zinc/21/17/14/1126211714.db2.gz MNRLSHZEUSZDIN-LJQANCHMSA-N 1 0 401.308 2.740 20 0 HFADRO COC(=O)c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cn1C ZINC001560532520 1126211787 /nfs/dbraw/zinc/21/17/87/1126211787.db2.gz MNOHNAFUJPTJOZ-IBGZPJMESA-N 1 0 407.308 2.584 20 0 HFADRO O=C1CN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)CC2(CC[NH2+]CC2)N1 ZINC001164391577 718809322 /nfs/dbraw/zinc/80/93/22/718809322.db2.gz VVONMVAEXIBBFD-UHFFFAOYSA-N 1 0 422.863 2.885 20 0 HFADRO C(c1nc2sc3c(c2c(N2CC[C@H]4[NH2+]CCO[C@@H]4C2)n1)CCCC3)N1CCCC1 ZINC001164389433 718824878 /nfs/dbraw/zinc/82/48/78/718824878.db2.gz IIIBMZNALAPJRX-IAGOWNOFSA-N 1 0 413.591 2.733 20 0 HFADRO Clc1ccc(-c2ccc(C3OCCCO3)c(N3CCN4CC[NH2+]C[C@H]4C3)c2)cn1 ZINC001164402325 718837556 /nfs/dbraw/zinc/83/75/56/718837556.db2.gz GDSYLCMKXPOGRV-SFHVURJKSA-N 1 0 414.937 2.931 20 0 HFADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCOCC35C[NH2+]C5)n2)CCC4)CC1 ZINC001164407725 718860719 /nfs/dbraw/zinc/86/07/19/718860719.db2.gz ZZPHCLDRRGPZGS-UHFFFAOYSA-N 1 0 413.591 2.591 20 0 HFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001164410608 718872765 /nfs/dbraw/zinc/87/27/65/718872765.db2.gz DUCVBPBQJXXSSG-GJZGRUSLSA-N 1 0 408.836 2.973 20 0 HFADRO Fc1cccc2c(Cl)nc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)nc12 ZINC001164415363 718884790 /nfs/dbraw/zinc/88/47/90/718884790.db2.gz HMQUACDVSPNKIB-UHFFFAOYSA-N 1 0 423.830 2.658 20 0 HFADRO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164423824 718917913 /nfs/dbraw/zinc/91/79/13/718917913.db2.gz JWXPZGSGCWFTOX-IBGZPJMESA-N 1 0 424.879 2.927 20 0 HFADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1Cl ZINC001164425876 718939686 /nfs/dbraw/zinc/93/96/86/718939686.db2.gz XNJYRTPGICKVOV-HUUCEWRRSA-N 1 0 408.836 2.927 20 0 HFADRO [NH3+][C@@H]1[C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164441474 718986359 /nfs/dbraw/zinc/98/63/59/718986359.db2.gz ZSTHMZNEVZUPRR-IGOJGBNBSA-N 1 0 407.543 2.584 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)ncn1)C2 ZINC001164617229 719006640 /nfs/dbraw/zinc/00/66/40/719006640.db2.gz NFNFYPIUUZSUDB-SCLBCKFNSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cncc(Cl)n1)C2 ZINC001164614435 719009808 /nfs/dbraw/zinc/00/98/08/719009808.db2.gz FJZRJTFVCGMGEA-ACJLOTCBSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)cc(C)c3C(=O)OC)CC2)CC1 ZINC001164614534 719025938 /nfs/dbraw/zinc/02/59/38/719025938.db2.gz UMEVFXGAGHRMDR-UHFFFAOYSA-N 1 0 403.523 2.729 20 0 HFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164622349 719047652 /nfs/dbraw/zinc/04/76/52/719047652.db2.gz KPVCOSMUJPBBCM-HNAYVOBHSA-N 1 0 406.864 2.962 20 0 HFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000301667340 719467294 /nfs/dbraw/zinc/46/72/94/719467294.db2.gz OXUHVJUVNVLSKE-ZWKOTPCHSA-N 1 0 409.559 2.939 20 0 HFADRO CCN(CC)C(=O)c1cc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164683242 719628001 /nfs/dbraw/zinc/62/80/01/719628001.db2.gz ROUUWTCRKHVHNC-UHFFFAOYSA-N 1 0 418.973 2.889 20 0 HFADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc3ccc(Cl)nc3[nH]2)c2c1CC[NH2+]C2 ZINC001164679465 719642367 /nfs/dbraw/zinc/64/23/67/719642367.db2.gz BLJYLLJMRCUKHD-UHFFFAOYSA-N 1 0 409.872 2.891 20 0 HFADRO COc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164684110 719655146 /nfs/dbraw/zinc/65/51/46/719655146.db2.gz WEWAXZMYBDAABV-GOSISDBHSA-N 1 0 423.561 2.579 20 0 HFADRO Cc1ccnnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681784 719663018 /nfs/dbraw/zinc/66/30/18/719663018.db2.gz QWKOLXZMQCECQV-LJQANCHMSA-N 1 0 407.562 2.878 20 0 HFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164810001 720113372 /nfs/dbraw/zinc/11/33/72/720113372.db2.gz JCOJWWNAFHJRAW-YADARESESA-N 1 0 424.545 2.991 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(CC(=O)OC)n1)CC2 ZINC001164717364 720114837 /nfs/dbraw/zinc/11/48/37/720114837.db2.gz NRJPOCKONFJHKB-NRFANRHFSA-N 1 0 424.545 2.700 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(N3CCCC3)n1)CC2 ZINC001164710426 720131300 /nfs/dbraw/zinc/13/13/00/720131300.db2.gz BIFDTXRIPHRGLG-NRFANRHFSA-N 1 0 422.577 2.979 20 0 HFADRO COc1ccc2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2c1 ZINC001164715441 720187478 /nfs/dbraw/zinc/18/74/78/720187478.db2.gz CEGJYONQEUBXAD-OAQYLSRUSA-N 1 0 422.533 2.588 20 0 HFADRO COc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc2ccccc21 ZINC001164714504 720190262 /nfs/dbraw/zinc/19/02/62/720190262.db2.gz FZRARKFGGWENFO-HXUWFJFHSA-N 1 0 422.533 2.588 20 0 HFADRO Cn1nnc2c1CCN(c1ccc3cccc(F)c3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713998 720192934 /nfs/dbraw/zinc/19/29/34/720192934.db2.gz FNTRVLUFGMPTLE-LJQANCHMSA-N 1 0 410.497 2.719 20 0 HFADRO CSc1nc(Cl)ncc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812029 720223936 /nfs/dbraw/zinc/22/39/36/720223936.db2.gz CPWWHNLLGALFCW-UHFFFAOYSA-N 1 0 408.959 2.659 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(Cl)c3ccncc32)CC1 ZINC001164825967 720300246 /nfs/dbraw/zinc/30/02/46/720300246.db2.gz UVOREVWHMUQCHQ-ROUUACIJSA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@H](F)Oc2ccnc(Cl)c2)CC1 ZINC001164822568 720306697 /nfs/dbraw/zinc/30/66/97/720306697.db2.gz NDPXIJPCLIVATI-HLIPFELVSA-N 1 0 410.921 2.774 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164832418 720318645 /nfs/dbraw/zinc/31/86/45/720318645.db2.gz SYFWFQHJYZXDOS-CABCVRRESA-N 1 0 409.987 2.763 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)c3ccoc32)CC1 ZINC001164833031 720328307 /nfs/dbraw/zinc/32/83/07/720328307.db2.gz VWOLVOTXUYRWBB-HZPDHXFCSA-N 1 0 403.914 2.788 20 0 HFADRO CC(C)n1ccc2c1ncnc2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164834251 720333816 /nfs/dbraw/zinc/33/38/16/720333816.db2.gz YYDXKHYHXWFWSJ-UXHICEINSA-N 1 0 410.566 2.924 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nccnc2Cl)CC1 ZINC001164829485 720334035 /nfs/dbraw/zinc/33/40/35/720334035.db2.gz MSUBFMYMUKCKOS-HUUCEWRRSA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccnc(Cc3ccccc3)n2)CC1 ZINC001164827463 720345022 /nfs/dbraw/zinc/34/50/22/720345022.db2.gz LRNQIMJQAKFRIA-VXKWHMMOSA-N 1 0 419.573 2.979 20 0 HFADRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)o1 ZINC001164829560 720345727 /nfs/dbraw/zinc/34/57/27/720345727.db2.gz SNIDGRPCJQNQDR-UXHICEINSA-N 1 0 409.534 2.957 20 0 HFADRO c1cc2nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729887 720348499 /nfs/dbraw/zinc/34/84/99/720348499.db2.gz YTUBGJSIXNZSMY-RBUKOAKNSA-N 1 0 422.558 2.776 20 0 HFADRO CSc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(SC)n1 ZINC001164828292 720354092 /nfs/dbraw/zinc/35/40/92/720354092.db2.gz OBSXJOSNJLQQGV-JKSUJKDBSA-N 1 0 421.636 2.832 20 0 HFADRO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1OC ZINC001164727044 720425071 /nfs/dbraw/zinc/42/50/71/720425071.db2.gz CXGAJRKAIXRWHI-CVEARBPZSA-N 1 0 402.882 2.778 20 0 HFADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC(C)C ZINC001164839375 720505036 /nfs/dbraw/zinc/50/50/36/720505036.db2.gz SZYXKJQZMVOUEJ-GBESFXJTSA-N 1 0 413.570 2.880 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1Cl ZINC001164733233 720509782 /nfs/dbraw/zinc/50/97/82/720509782.db2.gz YQGRVICGZCEPLK-GFCCVEGCSA-N 1 0 412.321 2.960 20 0 HFADRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1C(N)=O ZINC001164839402 720511277 /nfs/dbraw/zinc/51/12/77/720511277.db2.gz UAYJFAYQDWFLSK-BRWVUGGUSA-N 1 0 416.957 2.717 20 0 HFADRO CCOc1cc2ncnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2cc1OCC ZINC001164728094 720515232 /nfs/dbraw/zinc/51/52/32/720515232.db2.gz IDZAFSBJWYDEHK-MRXNPFEDSA-N 1 0 410.522 2.822 20 0 HFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834951 720517640 /nfs/dbraw/zinc/51/76/40/720517640.db2.gz IQEVTEOWVWKUGZ-IMFGXOCKSA-N 1 0 415.513 2.972 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)c(F)cc3C(N)=O)CC[C@@H]21 ZINC001164834749 720523410 /nfs/dbraw/zinc/52/34/10/720523410.db2.gz HLIABADHFZVABA-KEYYUXOJSA-N 1 0 420.920 2.547 20 0 HFADRO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838411 720524231 /nfs/dbraw/zinc/52/42/31/720524231.db2.gz QTHQMNBEXKVNHP-CMKODMSKSA-N 1 0 412.538 2.536 20 0 HFADRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1ccc(C(N)=O)c(Cl)n1 ZINC001164736036 720542735 /nfs/dbraw/zinc/54/27/35/720542735.db2.gz UNUJMGOLKYFCQQ-LBPRGKRZSA-N 1 0 416.900 2.895 20 0 HFADRO COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(SC)n1 ZINC001164836660 720544106 /nfs/dbraw/zinc/54/41/06/720544106.db2.gz KNUPHALXGLLXGH-IXDOHACOSA-N 1 0 402.568 2.781 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc-2n1 ZINC001164836682 720583745 /nfs/dbraw/zinc/58/37/45/720583745.db2.gz GJBABZWLXHWAKQ-DBXWQHBBSA-N 1 0 422.533 2.924 20 0 HFADRO COc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841630 720584589 /nfs/dbraw/zinc/58/45/89/720584589.db2.gz TZTGJRQRSIKDBY-ABSDTBQOSA-N 1 0 407.522 2.608 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3ncn4C3CC3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841507 720611472 /nfs/dbraw/zinc/61/14/72/720611472.db2.gz SLFWPBNIWCNRHZ-NZSAHSFTSA-N 1 0 406.538 2.736 20 0 HFADRO CSc1nc2sccc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740841 720630319 /nfs/dbraw/zinc/63/03/19/720630319.db2.gz JLBZXRNZNMAZCP-CHWSQXEVSA-N 1 0 400.533 2.545 20 0 HFADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc21 ZINC001164737120 720691342 /nfs/dbraw/zinc/69/13/42/720691342.db2.gz DMOYOSFNLLVTNT-IRXDYDNUSA-N 1 0 419.485 2.543 20 0 HFADRO Cc1ccc(C)c(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164741139 720773238 /nfs/dbraw/zinc/77/32/38/720773238.db2.gz MJSXQVCMJXQPGQ-MOPGFXCFSA-N 1 0 402.502 2.892 20 0 HFADRO CCc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738038 720779630 /nfs/dbraw/zinc/77/96/30/720779630.db2.gz DOLQXZACYIMAPQ-VQTJNVASSA-N 1 0 402.502 2.838 20 0 HFADRO Fc1cccc(F)c1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164738239 720781781 /nfs/dbraw/zinc/78/17/81/720781781.db2.gz FGZVOCSWLKDDHZ-LSDHHAIUSA-N 1 0 410.428 2.554 20 0 HFADRO Cc1cc(-c2ccccc2F)nnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752662 720801387 /nfs/dbraw/zinc/80/13/87/720801387.db2.gz ZNURLOZYLNDMLB-IRXDYDNUSA-N 1 0 406.465 2.723 20 0 HFADRO Cc1cc(-c2ccccc2F)nnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752670 720801769 /nfs/dbraw/zinc/80/17/69/720801769.db2.gz ZNURLOZYLNDMLB-SJORKVTESA-N 1 0 406.465 2.723 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NCC1CC1 ZINC001164750389 720808207 /nfs/dbraw/zinc/80/82/07/720808207.db2.gz VLBVVEKUKFJZID-PCCBWWKXSA-N 1 0 422.581 2.578 20 0 HFADRO FC(F)(c1cc(Cl)ncn1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748266 720808533 /nfs/dbraw/zinc/80/85/33/720808533.db2.gz QFOGFWFBJYYLQA-ARFHVFGLSA-N 1 0 423.899 2.646 20 0 HFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164743384 720808748 /nfs/dbraw/zinc/80/87/48/720808748.db2.gz FSWBSWOJWZWBMJ-YQVWRLOYSA-N 1 0 409.563 2.971 20 0 HFADRO Cc1nc2sccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743405 720808774 /nfs/dbraw/zinc/80/87/74/720808774.db2.gz FWJLULJXGUITAL-ZIFCJYIRSA-N 1 0 409.563 2.971 20 0 HFADRO Clc1nc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742373 720809301 /nfs/dbraw/zinc/80/93/01/720809301.db2.gz CYALROXLJJMMGK-ZMSDIMECSA-N 1 0 412.929 2.582 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743849 720816052 /nfs/dbraw/zinc/81/60/52/720816052.db2.gz SVYMPGCXZKKVCI-BFYDXBDKSA-N 1 0 419.986 2.823 20 0 HFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743288 720820426 /nfs/dbraw/zinc/82/04/26/720820426.db2.gz RXDBXICLPVFXLK-QXOCSCLMSA-N 1 0 420.920 2.833 20 0 HFADRO COc1cc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738801 720822048 /nfs/dbraw/zinc/82/20/48/720822048.db2.gz GTXVKHIPTPGRDQ-YESZJQIVSA-N 1 0 402.930 2.715 20 0 HFADRO Cc1cccc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc12 ZINC001164738765 720824655 /nfs/dbraw/zinc/82/46/55/720824655.db2.gz GGTDXCMYRRTPDY-SVFBPWRDSA-N 1 0 403.534 2.909 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745116 720828573 /nfs/dbraw/zinc/82/85/73/720828573.db2.gz WJYIZRZOWIPBED-HRCADAONSA-N 1 0 419.986 2.823 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)cc4)nn3)CC[C@H]2C1 ZINC001164854233 720838799 /nfs/dbraw/zinc/83/87/99/720838799.db2.gz QFWWWDQWCYFNSN-PXNSSMCTSA-N 1 0 402.926 2.971 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1Cl ZINC001164751844 720841068 /nfs/dbraw/zinc/84/10/68/720841068.db2.gz ZDUHATVSYJFMHE-SOLBZPMBSA-N 1 0 402.930 2.715 20 0 HFADRO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742532 720843082 /nfs/dbraw/zinc/84/30/82/720843082.db2.gz HGRNZJAHJOVEEG-SFHLNBCPSA-N 1 0 420.565 2.983 20 0 HFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccccn5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746115 720851961 /nfs/dbraw/zinc/85/19/61/720851961.db2.gz FSIBXMAHTSYCMV-CNNODRBYSA-N 1 0 416.533 2.510 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc2ccccc21 ZINC001164854953 720853540 /nfs/dbraw/zinc/85/35/40/720853540.db2.gz LWBVMJSCCSZHCN-DYESRHJHSA-N 1 0 413.518 2.585 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3ccn4C(C)C)CC[C@@H]2C1 ZINC001164856041 720871204 /nfs/dbraw/zinc/87/12/04/720871204.db2.gz NXRHLGRVVKKTCL-WBVHZDCISA-N 1 0 407.946 2.839 20 0 HFADRO COc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755743 720872019 /nfs/dbraw/zinc/87/20/19/720872019.db2.gz YOYZWJXIUDCECM-OFNKIYASSA-N 1 0 409.534 2.635 20 0 HFADRO COc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752200 720873150 /nfs/dbraw/zinc/87/31/50/720873150.db2.gz MACFQAODVGTOEK-NZQKXSOJSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@@H]2C1 ZINC001164861262 720874177 /nfs/dbraw/zinc/87/41/77/720874177.db2.gz PLCXCEILPIRTDY-DENIHFKCSA-N 1 0 419.529 2.865 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(C)c(-c4ccccc4F)n3)CC[C@H]2C1 ZINC001164857443 720888845 /nfs/dbraw/zinc/88/88/45/720888845.db2.gz JRYPARYJKZXBBN-FXAWDEMLSA-N 1 0 400.498 2.765 20 0 HFADRO COc1nc(C)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755385 720889952 /nfs/dbraw/zinc/88/99/52/720889952.db2.gz LSMHMVRMBXXALB-XUZZJYLKSA-N 1 0 423.561 2.944 20 0 HFADRO CON(C)C(=O)c1cc(C)cnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863583 720991258 /nfs/dbraw/zinc/99/12/58/720991258.db2.gz WVVLZHKACFACAV-INIZCTEOSA-N 1 0 400.527 2.641 20 0 HFADRO CCCNC(=O)c1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164861390 721024371 /nfs/dbraw/zinc/02/43/71/721024371.db2.gz OHIHNPNDWNHISW-AWEZNQCLSA-N 1 0 419.961 2.888 20 0 HFADRO Fc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164866096 721044819 /nfs/dbraw/zinc/04/48/19/721044819.db2.gz CSFLFLVQTSOXFC-ZIAGYGMSSA-N 1 0 402.861 2.625 20 0 HFADRO Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870896 721049549 /nfs/dbraw/zinc/04/95/49/721049549.db2.gz XEBDEMGDDNXALH-JKSUJKDBSA-N 1 0 409.868 2.858 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)SCC2 ZINC001164870624 721074004 /nfs/dbraw/zinc/07/40/04/721074004.db2.gz WKXGQVMXGXSYNW-LSDHHAIUSA-N 1 0 403.939 2.653 20 0 HFADRO CCOC(=O)c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1Cl ZINC001164763620 721081426 /nfs/dbraw/zinc/08/14/26/721081426.db2.gz GDYOXQHTZUAHEH-JKSUJKDBSA-N 1 0 403.914 2.604 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(NC(=O)OC(C)(C)C)ncn4)C[C@@H]3C2)cn1 ZINC001164762109 721091059 /nfs/dbraw/zinc/09/10/59/721091059.db2.gz CNDSYSFWCSRHSH-SJORKVTESA-N 1 0 413.526 2.515 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(OCc5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164766549 721093605 /nfs/dbraw/zinc/09/36/05/721093605.db2.gz KTPXMAADUPRKID-SFTDATJTSA-N 1 0 404.518 2.747 20 0 HFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164771391 721107043 /nfs/dbraw/zinc/10/70/43/721107043.db2.gz SNEAYXHVNJRNER-IAGOWNOFSA-N 1 0 417.941 2.912 20 0 HFADRO COC(=O)c1ccc2ccnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164764819 721114736 /nfs/dbraw/zinc/11/47/36/721114736.db2.gz IBXVCDASRWVIQM-UXHICEINSA-N 1 0 405.502 2.713 20 0 HFADRO Nc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164879022 721133309 /nfs/dbraw/zinc/13/33/09/721133309.db2.gz RLCSTXVSHVRIAY-CVEARBPZSA-N 1 0 409.868 2.737 20 0 HFADRO COc1cccc2nc(Cl)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c21 ZINC001164761658 721147168 /nfs/dbraw/zinc/14/71/68/721147168.db2.gz ACUAETIEKLXFAS-CVEARBPZSA-N 1 0 412.925 2.984 20 0 HFADRO CC1CCN(c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164877650 721148181 /nfs/dbraw/zinc/14/81/81/721148181.db2.gz POKVEQCTTURBDF-NHCUHLMSSA-N 1 0 408.550 2.588 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762074 721148485 /nfs/dbraw/zinc/14/84/85/721148485.db2.gz BUIVBDYFNYJIQY-DLBZAZTESA-N 1 0 417.941 2.912 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(OCc5ccccc5)cnn4)C[C@@H]3C2)cn1 ZINC001164772740 721153133 /nfs/dbraw/zinc/15/31/33/721153133.db2.gz VUWZKHWESJMAPM-RTWAWAEBSA-N 1 0 404.518 2.747 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164876522 721160346 /nfs/dbraw/zinc/16/03/46/721160346.db2.gz MZWOOWGUOXZKBK-RTWAWAEBSA-N 1 0 402.502 2.722 20 0 HFADRO COC(=O)c1cccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc21 ZINC001164770814 721225361 /nfs/dbraw/zinc/22/53/61/721225361.db2.gz OOHHQIMOEYBMBA-ROUUACIJSA-N 1 0 405.502 2.713 20 0 HFADRO Cc1nc(C)c(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)s1 ZINC001164761884 721229543 /nfs/dbraw/zinc/22/95/43/721229543.db2.gz JSAONBFECJYINF-ROUUACIJSA-N 1 0 409.563 2.909 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)nc4ccsc43)CC2)C1 ZINC001164870432 721269182 /nfs/dbraw/zinc/26/91/82/721269182.db2.gz YOAJCVMOOUREMV-UHFFFAOYSA-N 1 0 422.982 2.957 20 0 HFADRO O=C(Nc1nncs1)c1cnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c(Cl)c1 ZINC001164769850 721300018 /nfs/dbraw/zinc/30/00/18/721300018.db2.gz PAEJNLQFSUMJNZ-UHFFFAOYSA-N 1 0 404.927 2.761 20 0 HFADRO C[N@H+](Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164890181 721351899 /nfs/dbraw/zinc/35/18/99/721351899.db2.gz ZZAOOJBWKMZRAG-UNMCSNQZSA-N 1 0 406.530 2.653 20 0 HFADRO C[N@H+](Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164890179 721352000 /nfs/dbraw/zinc/35/20/00/721352000.db2.gz ZZAOOJBWKMZRAG-RBBKRZOGSA-N 1 0 406.530 2.653 20 0 HFADRO Cc1cc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2[nH]1 ZINC001164780753 721355686 /nfs/dbraw/zinc/35/56/86/721355686.db2.gz HBNZXXTYKPYFSG-QFIPXVFZSA-N 1 0 410.522 2.990 20 0 HFADRO Cc1nc2ccsc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889276 721379868 /nfs/dbraw/zinc/37/98/68/721379868.db2.gz LLIUQXRESJKKRE-UWJYYQICSA-N 1 0 401.580 2.765 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892508 721417156 /nfs/dbraw/zinc/41/71/56/721417156.db2.gz YPECOUBUILWDML-UUOWRZLLSA-N 1 0 420.561 2.877 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccncc5)cn4)C3)O2)CC1 ZINC001164893666 721431882 /nfs/dbraw/zinc/43/18/82/721431882.db2.gz JWPHVIMOPXHNDS-LADGPHEKSA-N 1 0 407.562 2.909 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CCC3)CC2 ZINC001164784515 721452814 /nfs/dbraw/zinc/45/28/14/721452814.db2.gz FVSKJQBAISZZDJ-LJQANCHMSA-N 1 0 400.567 2.699 20 0 HFADRO CCOc1ccnc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164788573 721456071 /nfs/dbraw/zinc/45/60/71/721456071.db2.gz UFIOQVRMRKTHHU-IBGZPJMESA-N 1 0 404.555 2.609 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)cc(OC)n1)CC2 ZINC001164789395 721459593 /nfs/dbraw/zinc/45/95/93/721459593.db2.gz XQBLCCGDGNBGBS-LJQANCHMSA-N 1 0 419.566 2.833 20 0 HFADRO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164896558 721501582 /nfs/dbraw/zinc/50/15/82/721501582.db2.gz IJCRLLRAGMOMIA-HXUWFJFHSA-N 1 0 400.567 2.825 20 0 HFADRO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164896087 721502287 /nfs/dbraw/zinc/50/22/87/721502287.db2.gz HABSBELLRFDVFD-FQEVSTJZSA-N 1 0 400.567 2.824 20 0 HFADRO CCc1ccc(-c2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nn2)cc1 ZINC001164795118 721520186 /nfs/dbraw/zinc/52/01/86/721520186.db2.gz JRMOINITNPOLMN-UHFFFAOYSA-N 1 0 417.561 2.670 20 0 HFADRO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795194 721521162 /nfs/dbraw/zinc/52/11/62/721521162.db2.gz LQMYVFRNIBKBQR-OAHLLOKOSA-N 1 0 417.989 2.916 20 0 HFADRO CC(C)c1nc(N(C)C)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911539 721541919 /nfs/dbraw/zinc/54/19/19/721541919.db2.gz XCOTXHYAYHONDB-SJLPKXTDSA-N 1 0 400.502 2.542 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C(=O)NC(C)(C)C)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164801390 721568781 /nfs/dbraw/zinc/56/87/81/721568781.db2.gz GLZQBQDOKPRWCL-SJBKTWHCSA-N 1 0 423.561 2.873 20 0 HFADRO NC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907107 721585262 /nfs/dbraw/zinc/58/52/62/721585262.db2.gz RZSMJGWMARVRDT-IBGZPJMESA-N 1 0 421.879 2.967 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c2CCCCC3)CC1 ZINC001165011606 721736283 /nfs/dbraw/zinc/73/62/83/721736283.db2.gz SIZDCWZZRSWKPJ-UHFFFAOYSA-N 1 0 405.974 2.922 20 0 HFADRO CC(C)n1cnc2c1nc(Cl)nc2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011297 721742673 /nfs/dbraw/zinc/74/26/73/721742673.db2.gz UQRDRNCVYNINQG-UHFFFAOYSA-N 1 0 419.961 2.584 20 0 HFADRO CCc1cc2c(nc(Cl)nc2N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)[nH]1 ZINC001165009267 721743042 /nfs/dbraw/zinc/74/30/42/721743042.db2.gz ARBRPHMURTXYBT-UHFFFAOYSA-N 1 0 404.946 2.697 20 0 HFADRO COc1cc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ccc2c(OC)c1 ZINC001165012751 721748902 /nfs/dbraw/zinc/74/89/02/721748902.db2.gz NEGUIJTYOXSOTH-UHFFFAOYSA-N 1 0 412.534 2.775 20 0 HFADRO CCCSc1ncnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1OC ZINC001165012579 721749471 /nfs/dbraw/zinc/74/94/71/721749471.db2.gz KYXXKJSNDFDVIA-UHFFFAOYSA-N 1 0 407.584 2.510 20 0 HFADRO CON(C)C(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025317 721819545 /nfs/dbraw/zinc/81/95/45/721819545.db2.gz MHZIMMXQYSBJRN-IOMROCGXSA-N 1 0 409.534 2.847 20 0 HFADRO CON(C)C(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025319 721819550 /nfs/dbraw/zinc/81/95/50/721819550.db2.gz MHZIMMXQYSBJRN-WMQCIHAUSA-N 1 0 409.534 2.847 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 ZINC001165022353 721821223 /nfs/dbraw/zinc/82/12/23/721821223.db2.gz GXZLRHQFCHOMEP-FFZOFVMBSA-N 1 0 400.548 2.617 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@H]21 ZINC001165022358 721821367 /nfs/dbraw/zinc/82/13/67/721821367.db2.gz GXZLRHQFCHOMEP-PWIZWCRZSA-N 1 0 400.548 2.617 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3NC(=O)CS4)C[C@H]21 ZINC001165023132 721831380 /nfs/dbraw/zinc/83/13/80/721831380.db2.gz HUEYGHXEVXYRLV-DJIMGWMZSA-N 1 0 410.547 2.653 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(Cl)c(C(N)=O)n2)CC1 ZINC001165022498 721838719 /nfs/dbraw/zinc/83/87/19/721838719.db2.gz UJFXPOHCNKLLID-UHFFFAOYSA-N 1 0 418.925 2.952 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(OC)c(OC)n2)CC1 ZINC001165019239 721840889 /nfs/dbraw/zinc/84/08/89/721840889.db2.gz AURKGRJMBHPXER-UHFFFAOYSA-N 1 0 402.495 2.612 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164930905 721877191 /nfs/dbraw/zinc/87/71/91/721877191.db2.gz DHLDOCLSHLOAQA-HZPDHXFCSA-N 1 0 422.911 2.952 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc(C(=O)N2CCCCC2)cc1Cl ZINC001164935509 721881392 /nfs/dbraw/zinc/88/13/92/721881392.db2.gz XEBUJIBZTIRMAM-MOPGFXCFSA-N 1 0 405.974 2.576 20 0 HFADRO CC(C)(C)OC(=O)Nc1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c2[nH]cnc21 ZINC001165039066 721916658 /nfs/dbraw/zinc/91/66/58/721916658.db2.gz PZMWPISXOWQKPO-CQSZACIVSA-N 1 0 402.499 2.606 20 0 HFADRO CON(C)C(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940111 721929093 /nfs/dbraw/zinc/92/90/93/721929093.db2.gz QFLZVLUUYUBFFF-UHFFFAOYSA-N 1 0 424.545 2.895 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)CC3)C2)cc1 ZINC001164941406 721933707 /nfs/dbraw/zinc/93/37/07/721933707.db2.gz HNIPFOZZUJVCTP-UHFFFAOYSA-N 1 0 421.545 2.633 20 0 HFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCC(C[NH+](C)C)CC2)cc1 ZINC001165042190 721943034 /nfs/dbraw/zinc/94/30/34/721943034.db2.gz IZUFUUNEDALZNV-UHFFFAOYSA-N 1 0 413.547 2.755 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC(C[NH+](C)C)CC3)nc2N1C1CCCC1 ZINC001165041505 721945526 /nfs/dbraw/zinc/94/55/26/721945526.db2.gz AMNAQRAMEJBCQH-GOSISDBHSA-N 1 0 400.571 2.759 20 0 HFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[NH+](CCOc3ccccc3)CC2)[nH]1 ZINC001165045376 721957823 /nfs/dbraw/zinc/95/78/23/721957823.db2.gz SXOZFNNHKBLRTA-UHFFFAOYSA-N 1 0 415.881 2.599 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3CN(S(C)(=O)=O)C[C@H]32)nc1 ZINC001164951999 721985744 /nfs/dbraw/zinc/98/57/44/721985744.db2.gz NYHOZFSWMNTYQA-XUVXKRRUSA-N 1 0 406.596 2.879 20 0 HFADRO Cc1nc2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2n1C ZINC001164964084 722056252 /nfs/dbraw/zinc/05/62/52/722056252.db2.gz RHPCTYGNERFWNA-UHFFFAOYSA-N 1 0 406.534 2.791 20 0 HFADRO Cc1cnc2c(ccnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960019 722060834 /nfs/dbraw/zinc/06/08/34/722060834.db2.gz CWOXZKQXDNWCTM-UHFFFAOYSA-N 1 0 404.518 2.847 20 0 HFADRO c1cc2c(cc1-c1ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn1)OCCCO2 ZINC001164966560 722076592 /nfs/dbraw/zinc/07/65/92/722076592.db2.gz BEZFUASQRVHFCA-KDURUIRLSA-N 1 0 408.502 2.604 20 0 HFADRO CC(=O)N1CCC[C@]2(C1)CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CCO2 ZINC001164968519 722083428 /nfs/dbraw/zinc/08/34/28/722083428.db2.gz DDOFCBXIFPPKDZ-VWLOTQADSA-N 1 0 420.557 2.858 20 0 HFADRO CS(=O)(=O)N1C[C@H]2CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2c2ccccc21 ZINC001164972356 722091043 /nfs/dbraw/zinc/09/10/43/722091043.db2.gz GHTMCDMOJWQEKL-QUCCMNQESA-N 1 0 412.559 2.677 20 0 HFADRO CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980802 722101950 /nfs/dbraw/zinc/10/19/50/722101950.db2.gz KKUOAIRNOXGEPC-BWQMBOKRSA-N 1 0 422.529 2.780 20 0 HFADRO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164985883 722102762 /nfs/dbraw/zinc/10/27/62/722102762.db2.gz XLAHKDARRWYHCX-AEFFLSMTSA-N 1 0 416.909 2.644 20 0 HFADRO Clc1nnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cnccc12 ZINC001164984366 722104353 /nfs/dbraw/zinc/10/43/53/722104353.db2.gz SUPKHEPUYFXPMQ-VQIMIIECSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1nc2cccnc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982298 722106497 /nfs/dbraw/zinc/10/64/97/722106497.db2.gz NDXDCTYXARBFRJ-FUHWJXTLSA-N 1 0 410.909 2.801 20 0 HFADRO COc1ccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164986414 722106573 /nfs/dbraw/zinc/10/65/73/722106573.db2.gz YZQQRRCAQZHYEV-AVRDEDQJSA-N 1 0 405.502 2.761 20 0 HFADRO Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CSC2 ZINC001164982737 722108890 /nfs/dbraw/zinc/10/88/90/722108890.db2.gz XUTALWWDVLBPBJ-YJBOKZPZSA-N 1 0 417.966 2.999 20 0 HFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983179 722109648 /nfs/dbraw/zinc/10/96/48/722109648.db2.gz YKNXANYCPDLHQO-SJLPKXTDSA-N 1 0 412.925 2.744 20 0 HFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983176 722109741 /nfs/dbraw/zinc/10/97/41/722109741.db2.gz YKNXANYCPDLHQO-FUHWJXTLSA-N 1 0 412.925 2.744 20 0 HFADRO Cn1ccc2c1nc(Cl)nc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983181 722109776 /nfs/dbraw/zinc/10/97/76/722109776.db2.gz YKNXANYCPDLHQO-WMZOPIPTSA-N 1 0 412.925 2.744 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975620 722118560 /nfs/dbraw/zinc/11/85/60/722118560.db2.gz KBOINCRWEJDADR-AVRDEDQJSA-N 1 0 405.502 2.761 20 0 HFADRO Clc1nc2ncsc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983649 722120080 /nfs/dbraw/zinc/12/00/80/722120080.db2.gz YVJMQWOGZVFAHH-GJZGRUSLSA-N 1 0 416.938 2.862 20 0 HFADRO Clc1cnc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981984 722125478 /nfs/dbraw/zinc/12/54/78/722125478.db2.gz VLIBYTVZXMBPNS-APWZRJJASA-N 1 0 410.909 2.801 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@@H]3C2)c1 ZINC001164978153 722125667 /nfs/dbraw/zinc/12/56/67/722125667.db2.gz NPNZLRSQECQLDM-RTWAWAEBSA-N 1 0 402.502 2.661 20 0 HFADRO O=C(c1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1)N1CCOCC1 ZINC001164995458 722192858 /nfs/dbraw/zinc/19/28/58/722192858.db2.gz UZWSSKXKZLHGQL-DEOSSOPVSA-N 1 0 424.520 2.938 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc3cccc(Cl)c3n1)CCC2 ZINC001164999625 722251811 /nfs/dbraw/zinc/25/18/11/722251811.db2.gz FMGKCOVEHIRUFO-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc(OCc3ccccc3)n1)CCC2 ZINC001165001839 722253305 /nfs/dbraw/zinc/25/33/05/722253305.db2.gz GUHZNODZGJPOCV-UHFFFAOYSA-N 1 0 422.533 2.741 20 0 HFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000772754647 1078044050 /nfs/dbraw/zinc/04/40/50/1078044050.db2.gz BAPJJXYNEIVEKT-SFHVURJKSA-N 1 0 409.958 2.506 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)nc1Br ZINC000793008752 1078047138 /nfs/dbraw/zinc/04/71/38/1078047138.db2.gz IFSGYFLZEUZWCZ-AWEZNQCLSA-N 1 0 411.344 2.575 20 0 HFADRO Cc1ccccc1-n1nccc1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000793015053 1078049675 /nfs/dbraw/zinc/04/96/75/1078049675.db2.gz CHPMVOWUTGPDSH-UHFFFAOYSA-N 1 0 402.442 2.584 20 0 HFADRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC(c4cccnc4)=NO3)CC2)cc1 ZINC000790532558 1078052614 /nfs/dbraw/zinc/05/26/14/1078052614.db2.gz BXIZZQQKAILZKH-QFIPXVFZSA-N 1 0 408.502 2.612 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000790537274 1078053296 /nfs/dbraw/zinc/05/32/96/1078053296.db2.gz CKHIPTAFUUSJDI-LJQANCHMSA-N 1 0 400.523 2.831 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793042658 1078054295 /nfs/dbraw/zinc/05/42/95/1078054295.db2.gz PWVHDAHFJLEWDK-INIZCTEOSA-N 1 0 401.898 2.582 20 0 HFADRO COC(=O)c1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1Br ZINC000772825840 1078054571 /nfs/dbraw/zinc/05/45/71/1078054571.db2.gz DFTKSRXSTGRIPE-HIFRSBDPSA-N 1 0 411.344 2.647 20 0 HFADRO C[C@H](NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000793045170 1078055144 /nfs/dbraw/zinc/05/51/44/1078055144.db2.gz WPRSHEKTUULJQA-AZUAARDMSA-N 1 0 414.550 2.985 20 0 HFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000793050290 1078056524 /nfs/dbraw/zinc/05/65/24/1078056524.db2.gz MDMPLHZAIMWLQV-MLGOLLRUSA-N 1 0 405.296 2.590 20 0 HFADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCc1cc(F)ccc1F ZINC000747100499 1078066432 /nfs/dbraw/zinc/06/64/32/1078066432.db2.gz ISQSVOXFTIFGCM-CQSZACIVSA-N 1 0 403.882 2.815 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)nc1Br ZINC000793058297 1078068685 /nfs/dbraw/zinc/06/86/85/1078068685.db2.gz VTLRRNDTPUGPPI-UHFFFAOYSA-N 1 0 419.323 2.512 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc(Br)n1)[NH+](C)C ZINC000793059227 1078068947 /nfs/dbraw/zinc/06/89/47/1078068947.db2.gz WPUXJUFWRQQGKH-GUYCJALGSA-N 1 0 419.323 2.899 20 0 HFADRO COCCOC1CCC(C(=O)NC2CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC000793126954 1078072741 /nfs/dbraw/zinc/07/27/41/1078072741.db2.gz FXGOKOMBVFHJIX-UHFFFAOYSA-N 1 0 404.551 2.998 20 0 HFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)[C@@H]1C ZINC000790609956 1078074583 /nfs/dbraw/zinc/07/45/83/1078074583.db2.gz QYXBOOSSAZEGFU-IFMNFUMOSA-N 1 0 413.518 2.979 20 0 HFADRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)[C@@H]1C ZINC000790609959 1078074996 /nfs/dbraw/zinc/07/49/96/1078074996.db2.gz QYXBOOSSAZEGFU-LZOXNYCHSA-N 1 0 413.518 2.979 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O ZINC001170428854 1078109992 /nfs/dbraw/zinc/10/99/92/1078109992.db2.gz PDTZVTUQDKONNA-FHWLQOOXSA-N 1 0 419.566 2.757 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000793300430 1078122359 /nfs/dbraw/zinc/12/23/59/1078122359.db2.gz XOXGHRVXIFQIPO-UHFFFAOYSA-N 1 0 418.579 2.984 20 0 HFADRO C[NH+](C)CCCNC(=S)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000793308441 1078124337 /nfs/dbraw/zinc/12/43/37/1078124337.db2.gz RXAXINVNUPJGGP-GHTZIAJQSA-N 1 0 417.550 2.993 20 0 HFADRO COC(=O)[C@]12C[N@H+](Cc3c(C)nn(Cc4ccccc4)c3Cl)C[C@H]1COCC2 ZINC000793344277 1078131565 /nfs/dbraw/zinc/13/15/65/1078131565.db2.gz LHMCJBCVZFEWKU-LAUBAEHRSA-N 1 0 403.910 2.905 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000793321452 1078136783 /nfs/dbraw/zinc/13/67/83/1078136783.db2.gz IDONZPQEPSHZKA-HXUWFJFHSA-N 1 0 424.636 2.750 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000793379152 1078154103 /nfs/dbraw/zinc/15/41/03/1078154103.db2.gz FENFOPPLQDXCHF-XXTHSBEZSA-N 1 0 409.530 2.733 20 0 HFADRO CSC1(CNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC[NH+](C)CC1 ZINC000793368808 1078150549 /nfs/dbraw/zinc/15/05/49/1078150549.db2.gz XAGWUEHTWDTDRG-HKWRFOASSA-N 1 0 424.570 2.796 20 0 HFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000772762930 1078154237 /nfs/dbraw/zinc/15/42/37/1078154237.db2.gz XSKZYJGODAQVHH-JOCHJYFZSA-N 1 0 405.558 2.904 20 0 HFADRO COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC(c4cccnc4)=NO3)CC[N@@H+]2C2CC2)c1 ZINC000790857423 1078152462 /nfs/dbraw/zinc/15/24/62/1078152462.db2.gz OSKKGONOTHPVJV-KSEOMHKRSA-N 1 0 406.486 2.677 20 0 HFADRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CC(c2cccnc2)=NO1 ZINC000790884020 1078170273 /nfs/dbraw/zinc/17/02/73/1078170273.db2.gz QJDNVUARFYAXNN-YYTDSSBASA-N 1 0 404.514 2.992 20 0 HFADRO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000790896542 1078175443 /nfs/dbraw/zinc/17/54/43/1078175443.db2.gz QJTXRCNLIPPJCM-OALUTQOASA-N 1 0 402.539 2.928 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000793514442 1078196722 /nfs/dbraw/zinc/19/67/22/1078196722.db2.gz CVAWFIOCISTDEO-ROUUACIJSA-N 1 0 403.523 2.671 20 0 HFADRO CCOC(=O)[C@@]1(COC)CCCN(CN2CC[C@H](CCc3ccccc3)C2=O)C1 ZINC000793515499 1078197084 /nfs/dbraw/zinc/19/70/84/1078197084.db2.gz KAYSFHTZOZSIQR-REWPJTCUSA-N 1 0 402.535 2.717 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000793515353 1078197330 /nfs/dbraw/zinc/19/73/30/1078197330.db2.gz DOPPYYYXTYEVEN-RTWAWAEBSA-N 1 0 411.502 2.998 20 0 HFADRO Cc1cc([C@H](C)[NH2+]CCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)n(C)n1 ZINC000793523876 1078198828 /nfs/dbraw/zinc/19/88/28/1078198828.db2.gz GROWWKNYWXCQSY-IBGZPJMESA-N 1 0 405.587 2.656 20 0 HFADRO CC[NH+](CC)CCCCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793493117 1078201019 /nfs/dbraw/zinc/20/10/19/1078201019.db2.gz KOFZOBZUYITDJE-BGYRXZFFSA-N 1 0 412.534 2.817 20 0 HFADRO C[N@H+](CCOCCNC(=O)OC(C)(C)C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170434078 1078201978 /nfs/dbraw/zinc/20/19/78/1078201978.db2.gz FJLKBNJQJZLCOU-UHFFFAOYSA-N 1 0 401.548 2.907 20 0 HFADRO Cc1nc2ccc(Br)cn2c1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793495693 1078202305 /nfs/dbraw/zinc/20/23/05/1078202305.db2.gz CPSAIYJKWQPJAK-INIZCTEOSA-N 1 0 421.339 2.778 20 0 HFADRO COC(=O)c1cn(CC[NH2+][C@@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)nn1 ZINC000793569892 1078207828 /nfs/dbraw/zinc/20/78/28/1078207828.db2.gz QWBMMYFHHZEJSE-HOTGVXAUSA-N 1 0 409.531 2.613 20 0 HFADRO COCC1(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793577829 1078213224 /nfs/dbraw/zinc/21/32/24/1078213224.db2.gz WKQOEWQDOPXOCB-IRXDYDNUSA-N 1 0 418.600 2.596 20 0 HFADRO CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793584162 1078214721 /nfs/dbraw/zinc/21/47/21/1078214721.db2.gz MTCMTTCHQNOAFU-SFHVURJKSA-N 1 0 410.971 2.879 20 0 HFADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793584535 1078215166 /nfs/dbraw/zinc/21/51/66/1078215166.db2.gz OFQCQOGLBMMHOB-SJLPKXTDSA-N 1 0 404.942 2.948 20 0 HFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793585111 1078215190 /nfs/dbraw/zinc/21/51/90/1078215190.db2.gz LTCNBSHRPDEAPG-IOMROCGXSA-N 1 0 424.545 2.769 20 0 HFADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793584534 1078215299 /nfs/dbraw/zinc/21/52/99/1078215299.db2.gz OFQCQOGLBMMHOB-FUHWJXTLSA-N 1 0 404.942 2.948 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000793598345 1078219227 /nfs/dbraw/zinc/21/92/27/1078219227.db2.gz CPIMZKNBTQKLJC-FHWLQOOXSA-N 1 0 411.587 2.981 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000793596579 1078219258 /nfs/dbraw/zinc/21/92/58/1078219258.db2.gz RBJIBWMCCPGUOO-GOSISDBHSA-N 1 0 409.571 2.735 20 0 HFADRO CN(CCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C(=O)OCc1ccccc1 ZINC000793597907 1078219432 /nfs/dbraw/zinc/21/94/32/1078219432.db2.gz XLXNQCFQXJZPDX-UHFFFAOYSA-N 1 0 417.550 2.749 20 0 HFADRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1 ZINC000793606237 1078222976 /nfs/dbraw/zinc/22/29/76/1078222976.db2.gz JUZJWBZRDZBQHY-HSZRJFAPSA-N 1 0 407.470 2.988 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000793625944 1078231489 /nfs/dbraw/zinc/23/14/89/1078231489.db2.gz WIBQXVQRMXHSLI-VXKWHMMOSA-N 1 0 409.530 2.743 20 0 HFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793635948 1078236222 /nfs/dbraw/zinc/23/62/22/1078236222.db2.gz JDFCQCIIYDOGIB-KNQAVFIVSA-N 1 0 423.557 2.727 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000793641260 1078238453 /nfs/dbraw/zinc/23/84/53/1078238453.db2.gz WKZBSYLKTIUFCI-SELNLUPBSA-N 1 0 423.557 2.868 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)[N@H+](C)Cc1ccccc1 ZINC000793662450 1078243434 /nfs/dbraw/zinc/24/34/34/1078243434.db2.gz GULSKVHOBLBUNF-IBGZPJMESA-N 1 0 419.529 2.515 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3csc(CCNC(=O)OC(C)(C)C)n3)CC[C@H]21 ZINC000793676954 1078250815 /nfs/dbraw/zinc/25/08/15/1078250815.db2.gz FYRZTIRWBZIDRQ-GDBMZVCRSA-N 1 0 408.568 2.767 20 0 HFADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000793709689 1078260240 /nfs/dbraw/zinc/26/02/40/1078260240.db2.gz PEWRLZXZRIFLHP-NRSPTQNISA-N 1 0 401.551 2.570 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1cccc(COc2ccccc2)c1)[NH+]1CCCCC1 ZINC000793714627 1078262609 /nfs/dbraw/zinc/26/26/09/1078262609.db2.gz QNYOTVNZYTUXCZ-IBGZPJMESA-N 1 0 409.530 2.872 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000793715507 1078263009 /nfs/dbraw/zinc/26/30/09/1078263009.db2.gz ZIQSQGPCZWJEQO-WBVHZDCISA-N 1 0 400.548 2.950 20 0 HFADRO Cc1nc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000793718017 1078263829 /nfs/dbraw/zinc/26/38/29/1078263829.db2.gz ABYIZEYULMOQRM-CQSZACIVSA-N 1 0 418.925 2.910 20 0 HFADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C2CC2)cnc1Cl ZINC000793721722 1078265781 /nfs/dbraw/zinc/26/57/81/1078265781.db2.gz MQZJAMYVLVBFED-IBGZPJMESA-N 1 0 414.937 2.631 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001170436551 1078267902 /nfs/dbraw/zinc/26/79/02/1078267902.db2.gz IYAXIDVDPUCTSQ-CTAFRAEOSA-N 1 0 416.518 2.770 20 0 HFADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793726983 1078268074 /nfs/dbraw/zinc/26/80/74/1078268074.db2.gz UXZQCQZLVWLBML-GOTSBHOMSA-N 1 0 423.557 2.560 20 0 HFADRO Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000793698461 1078272526 /nfs/dbraw/zinc/27/25/26/1078272526.db2.gz JPWZJVFRNNMNTJ-HXUWFJFHSA-N 1 0 423.561 2.613 20 0 HFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H](C)COc1ccccc1 ZINC000793700877 1078274226 /nfs/dbraw/zinc/27/42/26/1078274226.db2.gz MNQSNRKLPXKBMY-UNMCSNQZSA-N 1 0 423.557 2.941 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1)[NH+]1CCCCC1 ZINC000793706362 1078276277 /nfs/dbraw/zinc/27/62/77/1078276277.db2.gz CABCOOVTJNZSPM-HUUCEWRRSA-N 1 0 415.456 2.796 20 0 HFADRO COc1ccc2[nH]cc(C3=CCN(C(=O)C(=O)NC[C@@H](C)[NH+]4CCCCC4)CC3)c2c1 ZINC000793708088 1078277278 /nfs/dbraw/zinc/27/72/78/1078277278.db2.gz IFMMDQIEZUHKQE-QGZVFWFLSA-N 1 0 424.545 2.783 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000793742912 1078287691 /nfs/dbraw/zinc/28/76/91/1078287691.db2.gz QAMYUGQRNVRXLU-MRXNPFEDSA-N 1 0 420.985 2.662 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000793781180 1078292399 /nfs/dbraw/zinc/29/23/99/1078292399.db2.gz FDFVMVAZWVOGRQ-SFTDATJTSA-N 1 0 415.578 2.993 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000793777705 1078309330 /nfs/dbraw/zinc/30/93/30/1078309330.db2.gz FOWTWZVIRWLSDI-HXUWFJFHSA-N 1 0 409.530 2.613 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)[N@H+](C)C1CC1 ZINC000793870628 1078328833 /nfs/dbraw/zinc/32/88/33/1078328833.db2.gz BLQDOIDDERUSOL-QGZVFWFLSA-N 1 0 414.594 2.668 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793832378 1078320638 /nfs/dbraw/zinc/32/06/38/1078320638.db2.gz ZHUWLRWVKIYDIO-UFYCRDLUSA-N 1 0 410.518 2.567 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793878816 1078322123 /nfs/dbraw/zinc/32/21/23/1078322123.db2.gz QFIQHPSYZJNBKJ-NRFANRHFSA-N 1 0 414.594 2.670 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000747155095 1078328143 /nfs/dbraw/zinc/32/81/43/1078328143.db2.gz SFJZPLBPCYQEFE-UHFFFAOYSA-N 1 0 423.966 2.958 20 0 HFADRO C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC[N@@H+]1C ZINC000793868889 1078328588 /nfs/dbraw/zinc/32/85/88/1078328588.db2.gz GFICKWUFWPENJS-FXAWDEMLSA-N 1 0 414.594 2.668 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000793867779 1078328645 /nfs/dbraw/zinc/32/86/45/1078328645.db2.gz RKAZAYYGACXDEJ-QGZVFWFLSA-N 1 0 407.580 2.633 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)[C@H](C)C1 ZINC000793874027 1078330535 /nfs/dbraw/zinc/33/05/35/1078330535.db2.gz KKYLQQOVEHQFKM-MSYCTHLASA-N 1 0 412.530 2.603 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C1 ZINC000793874873 1078331328 /nfs/dbraw/zinc/33/13/28/1078331328.db2.gz OUDWQOJGQKXFHX-JENIJYKNSA-N 1 0 405.539 2.556 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000793909540 1078335090 /nfs/dbraw/zinc/33/50/90/1078335090.db2.gz HRZIAJAMOHGHSE-HCXYKTFWSA-N 1 0 419.566 2.567 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C1 ZINC000793909545 1078335164 /nfs/dbraw/zinc/33/51/64/1078335164.db2.gz HRZIAJAMOHGHSE-ZSYWTGECSA-N 1 0 419.566 2.567 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000793953444 1078346111 /nfs/dbraw/zinc/34/61/11/1078346111.db2.gz UYRGRQJFAQPIIJ-OALUTQOASA-N 1 0 407.599 2.716 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)COCc1ccccc1 ZINC000793955049 1078346970 /nfs/dbraw/zinc/34/69/70/1078346970.db2.gz KFMAHJZPPBYCDP-KPQWGBOZSA-N 1 0 415.578 2.869 20 0 HFADRO CC(C)(CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C[NH+]1CCCC1 ZINC000793958661 1078347483 /nfs/dbraw/zinc/34/74/83/1078347483.db2.gz HDAGKXDQFSXALX-BGYRXZFFSA-N 1 0 424.545 2.817 20 0 HFADRO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793977393 1078350719 /nfs/dbraw/zinc/35/07/19/1078350719.db2.gz XLVWLESEAWJIHC-KSZLIROESA-N 1 0 409.571 2.734 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793978685 1078350897 /nfs/dbraw/zinc/35/08/97/1078350897.db2.gz BHUXSBXWQFQVSI-UFYCRDLUSA-N 1 0 424.545 2.815 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000793945480 1078354007 /nfs/dbraw/zinc/35/40/07/1078354007.db2.gz DHECAKYGJSIZDY-UXHICEINSA-N 1 0 407.599 2.526 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001170440952 1078355303 /nfs/dbraw/zinc/35/53/03/1078355303.db2.gz DXJGVMDFALXLLU-ZVVDCOBXSA-N 1 0 410.518 2.658 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H]2COC[C@H]21 ZINC001170441405 1078360575 /nfs/dbraw/zinc/36/05/75/1078360575.db2.gz HJKQVAIWUQYRCB-WJFTUGDTSA-N 1 0 414.527 2.927 20 0 HFADRO C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000794051476 1078366014 /nfs/dbraw/zinc/36/60/14/1078366014.db2.gz QFHMIRQJACMCHP-SFHVURJKSA-N 1 0 415.515 2.715 20 0 HFADRO CC1=C(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)n2ncnc2N1C ZINC000794146834 1078377826 /nfs/dbraw/zinc/37/78/26/1078377826.db2.gz HLAGMWIAIBRKLM-AZUAARDMSA-N 1 0 408.550 2.981 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001170444919 1078395893 /nfs/dbraw/zinc/39/58/93/1078395893.db2.gz VOBDXNNKSBQXAY-MOPGFXCFSA-N 1 0 400.519 2.697 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)[C@@H](c1cnn(C)c1)CC(=O)N2C ZINC001170445684 1078416932 /nfs/dbraw/zinc/41/69/32/1078416932.db2.gz XCCDAQWRQUEFJK-WOJBJXKFSA-N 1 0 424.545 2.950 20 0 HFADRO C[C@@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000794411860 1078433403 /nfs/dbraw/zinc/43/34/03/1078433403.db2.gz OLCJBXRSSYZUSB-CABCVRRESA-N 1 0 407.461 2.774 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000804395996 1078452413 /nfs/dbraw/zinc/45/24/13/1078452413.db2.gz YWPLDDFEAALKEQ-QWYBNYMASA-N 1 0 400.441 2.660 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001170448845 1078460018 /nfs/dbraw/zinc/46/00/18/1078460018.db2.gz DTPBLGKDYNNAHD-IBGZPJMESA-N 1 0 409.534 2.949 20 0 HFADRO O=C(CNC(=O)[C@H]1CCc2cc(Br)ccc21)NCC[NH+]1CCCCCC1 ZINC001129457621 1078461341 /nfs/dbraw/zinc/46/13/41/1078461341.db2.gz FZKDIIHZIXAPQH-SFHVURJKSA-N 1 0 422.367 2.587 20 0 HFADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCCC[C@H]3COC(=O)N(C)C)CC2)c1 ZINC000804659863 1078497913 /nfs/dbraw/zinc/49/79/13/1078497913.db2.gz MRHWADHJLOGVFB-NRFANRHFSA-N 1 0 416.566 2.586 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC001129807554 1078505221 /nfs/dbraw/zinc/50/52/21/1078505221.db2.gz DQUDAVOMVVCFNG-UHFFFAOYSA-N 1 0 417.529 2.731 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)CC1 ZINC001129808208 1078505249 /nfs/dbraw/zinc/50/52/49/1078505249.db2.gz KJUIEFXUZIYVGZ-UHFFFAOYSA-N 1 0 419.570 2.879 20 0 HFADRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)CC1 ZINC001129808322 1078506105 /nfs/dbraw/zinc/50/61/05/1078506105.db2.gz OZKKJCXDNUZTPS-HNNXBMFYSA-N 1 0 416.488 2.866 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001129813150 1078511023 /nfs/dbraw/zinc/51/10/23/1078511023.db2.gz JRMHBROEIDEMNU-ODOSVJCGSA-N 1 0 412.578 2.869 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSC[C@H]1CCCCO1 ZINC001129813850 1078511793 /nfs/dbraw/zinc/51/17/93/1078511793.db2.gz WFZRQQRLJKBERV-NJDAHSKKSA-N 1 0 406.592 2.942 20 0 HFADRO O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446220 1078512390 /nfs/dbraw/zinc/51/23/90/1078512390.db2.gz BAFYWZKJXUQEBQ-LADGPHEKSA-N 1 0 418.541 2.923 20 0 HFADRO C[C@H](Oc1ccc(C=O)cc1)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447549 1078515052 /nfs/dbraw/zinc/51/50/52/1078515052.db2.gz GCUUHMREMDVYSR-REWPJTCUSA-N 1 0 421.541 2.685 20 0 HFADRO CNc1cc(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc(Cl)n1 ZINC000804446678 1078513229 /nfs/dbraw/zinc/51/32/29/1078513229.db2.gz AEBGXIRQCQYWQK-LJQANCHMSA-N 1 0 413.953 2.809 20 0 HFADRO COC(=O)Nc1ccccc1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804449380 1078515129 /nfs/dbraw/zinc/51/51/29/1078515129.db2.gz WRLBUKAOODQGPY-HXUWFJFHSA-N 1 0 422.529 2.897 20 0 HFADRO CC(=O)c1ccc(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804684209 1078524767 /nfs/dbraw/zinc/52/47/67/1078524767.db2.gz WGTPAXCZODBNKW-OAQYLSRUSA-N 1 0 401.532 2.861 20 0 HFADRO COC(=O)c1cnc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)cc1C(F)(F)F ZINC000804462715 1078525889 /nfs/dbraw/zinc/52/58/89/1078525889.db2.gz DPXPHWTXBLPVRN-VIFPVBQESA-N 1 0 401.414 2.634 20 0 HFADRO COc1cc(I)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001129801957 1078526135 /nfs/dbraw/zinc/52/61/35/1078526135.db2.gz VIAOCVYRSWXVGD-ZDUSSCGKSA-N 1 0 402.276 2.855 20 0 HFADRO CCOC(=O)C1(CC(=O)Nc2cccc(NC(=O)C[NH+](CC)CC)c2)CCOCC1 ZINC001129548159 1078538148 /nfs/dbraw/zinc/53/81/48/1078538148.db2.gz CKGSYPUYJHPFFN-UHFFFAOYSA-N 1 0 419.522 2.655 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2nc3cc(Cl)ccn3n2)[C@H](c2cnn(C)c2)C1 ZINC001129566443 1078560278 /nfs/dbraw/zinc/56/02/78/1078560278.db2.gz GUTFJTDFSGRVQE-CVEARBPZSA-N 1 0 401.902 2.569 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccn2c(I)cnc12 ZINC000804524421 1078562946 /nfs/dbraw/zinc/56/29/46/1078562946.db2.gz BEIKHZOOVURTRO-STQMWFEESA-N 1 0 424.286 2.638 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000804526450 1078564782 /nfs/dbraw/zinc/56/47/82/1078564782.db2.gz RMWQCLQENSMCSJ-KTDKUFGQSA-N 1 0 404.514 2.938 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000804527710 1078566410 /nfs/dbraw/zinc/56/64/10/1078566410.db2.gz RTYWOORCLASBFK-SJLPKXTDSA-N 1 0 420.517 2.539 20 0 HFADRO COC(=O)c1cnc(N2CCC(OCC[NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000804529131 1078566958 /nfs/dbraw/zinc/56/69/58/1078566958.db2.gz RMFXANCLXXNOIU-UHFFFAOYSA-N 1 0 401.429 2.968 20 0 HFADRO CC(C)(C)Oc1cccc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)n1 ZINC001129871041 1078568497 /nfs/dbraw/zinc/56/84/97/1078568497.db2.gz DFYDPXSULPVVSP-UHFFFAOYSA-N 1 0 424.545 2.886 20 0 HFADRO COc1ccc(C(C)(C)C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001129872148 1078568835 /nfs/dbraw/zinc/56/88/35/1078568835.db2.gz KFKFUVIODGBTAO-UHFFFAOYSA-N 1 0 423.557 2.987 20 0 HFADRO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000804532876 1078570306 /nfs/dbraw/zinc/57/03/06/1078570306.db2.gz NLRWFDOTXVQAGF-SFHVURJKSA-N 1 0 407.580 2.976 20 0 HFADRO COCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C1CC[NH+](C)CC1 ZINC001129599704 1078573741 /nfs/dbraw/zinc/57/37/41/1078573741.db2.gz IJSIVCPVAQSEAY-IBGZPJMESA-N 1 0 401.551 2.616 20 0 HFADRO C[C@]1(CC(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CCS(=O)(=O)N1 ZINC001129606879 1078577308 /nfs/dbraw/zinc/57/73/08/1078577308.db2.gz CCXVTESZQUZVPW-LJQANCHMSA-N 1 0 413.971 2.631 20 0 HFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2)C1 ZINC001129906027 1078578031 /nfs/dbraw/zinc/57/80/31/1078578031.db2.gz VFBMMLPCCQCJTC-LMMKCTJWSA-N 1 0 407.580 2.519 20 0 HFADRO Cc1cc(N2C[C@@H](C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2=O)ccc1Br ZINC001129906040 1078578358 /nfs/dbraw/zinc/57/83/58/1078578358.db2.gz VJUOMIODOIVAGC-GOEBONIOSA-N 1 0 408.340 2.663 20 0 HFADRO CC[NH+](CC)[C@@H](C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1)c1ccccc1 ZINC001129610819 1078581597 /nfs/dbraw/zinc/58/15/97/1078581597.db2.gz CUBBHQSOUGFZQA-QFBILLFUSA-N 1 0 400.548 2.899 20 0 HFADRO O=C(Cc1cnn(-c2ccccc2)n1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804536580 1078584529 /nfs/dbraw/zinc/58/45/29/1078584529.db2.gz WQSGIMKWADYWNX-DEOSSOPVSA-N 1 0 401.514 2.934 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000804775683 1078600871 /nfs/dbraw/zinc/60/08/71/1078600871.db2.gz LYFFYXNZXNZQER-INIZCTEOSA-N 1 0 403.552 2.623 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCC[N@@H+](C)C3CC3)CC2)cc1C ZINC001129628083 1078601513 /nfs/dbraw/zinc/60/15/13/1078601513.db2.gz FMYRCFWVHGQVSU-UHFFFAOYSA-N 1 0 421.607 2.695 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000804560809 1078596312 /nfs/dbraw/zinc/59/63/12/1078596312.db2.gz MBCNHQUIAXVMRY-OQIJWPOYSA-N 1 0 416.541 2.709 20 0 HFADRO CN(C(=O)/C=C/c1ccc(I)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564839 1078599677 /nfs/dbraw/zinc/59/96/77/1078599677.db2.gz PPNYYASIBSLAKN-AHRUWENYSA-N 1 0 400.260 2.981 20 0 HFADRO CC(C)[C@H](C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+]1CCCCC1 ZINC000804761329 1078611496 /nfs/dbraw/zinc/61/14/96/1078611496.db2.gz BWFAQYASGMZZSE-VQTJNVASSA-N 1 0 422.614 2.651 20 0 HFADRO CN1C(=O)C[C@@H](C(=O)NCc2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001129666646 1078626807 /nfs/dbraw/zinc/62/68/07/1078626807.db2.gz FFDRLGWYMHVJHL-DNVCBOLYSA-N 1 0 400.841 2.963 20 0 HFADRO C[N@H+](CCNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000804818756 1078659726 /nfs/dbraw/zinc/65/97/26/1078659726.db2.gz XEMRFNGCJHSSIR-HXUWFJFHSA-N 1 0 421.969 2.603 20 0 HFADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC001129678594 1078666486 /nfs/dbraw/zinc/66/64/86/1078666486.db2.gz CRQDYGIOBBJWNN-OAHLLOKOSA-N 1 0 415.987 2.972 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000804828727 1078667767 /nfs/dbraw/zinc/66/77/67/1078667767.db2.gz XTLXIVAWVORZLQ-UXHICEINSA-N 1 0 414.594 2.872 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000804828382 1078668248 /nfs/dbraw/zinc/66/82/48/1078668248.db2.gz PAXHOJUJRKYPRJ-FQEVSTJZSA-N 1 0 422.573 2.882 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000804832811 1078672276 /nfs/dbraw/zinc/67/22/76/1078672276.db2.gz VTNNZWCVJIWASD-RXVVDRJESA-N 1 0 408.546 2.538 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000804832770 1078672295 /nfs/dbraw/zinc/67/22/95/1078672295.db2.gz VDMAXVZPLRTYRD-OAQYLSRUSA-N 1 0 408.546 2.540 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804642917 1078695322 /nfs/dbraw/zinc/69/53/22/1078695322.db2.gz AAFXOGQGVOZKFZ-OXJNMPFZSA-N 1 0 412.534 2.510 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000804643991 1078698918 /nfs/dbraw/zinc/69/89/18/1078698918.db2.gz VLEYENLHMBLXPH-UGKGYDQZSA-N 1 0 408.546 2.642 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000747219813 1078700752 /nfs/dbraw/zinc/70/07/52/1078700752.db2.gz BKDQARHFNISGNU-MRXNPFEDSA-N 1 0 403.552 2.575 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000804645724 1078701571 /nfs/dbraw/zinc/70/15/71/1078701571.db2.gz XBHGWRYIURJUMD-GGPKGHCWSA-N 1 0 407.555 2.537 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000747220337 1078714955 /nfs/dbraw/zinc/71/49/55/1078714955.db2.gz IOPXWZPCCOWYAP-QGZVFWFLSA-N 1 0 417.579 2.965 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000804944624 1078771786 /nfs/dbraw/zinc/77/17/86/1078771786.db2.gz ZVIKCEGWWDCHOP-ICSRJNTNSA-N 1 0 403.523 2.831 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000804945865 1078772726 /nfs/dbraw/zinc/77/27/26/1078772726.db2.gz UGNVXCYFAWDLOR-HSZRJFAPSA-N 1 0 410.562 2.529 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000804945478 1078774047 /nfs/dbraw/zinc/77/40/47/1078774047.db2.gz FWAQVWZOVYUVGQ-UHFFFAOYSA-N 1 0 400.479 2.805 20 0 HFADRO O=C(NCCn1cc(Br)cn1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000804990219 1078794335 /nfs/dbraw/zinc/79/43/35/1078794335.db2.gz PIUPBCXEAUEIKT-UHFFFAOYSA-N 1 0 420.355 2.857 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000804975816 1078810800 /nfs/dbraw/zinc/81/08/00/1078810800.db2.gz BAEBUUGOBAEUEI-IYOUNJFTSA-N 1 0 407.477 2.880 20 0 HFADRO C[C@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804977439 1078812793 /nfs/dbraw/zinc/81/27/93/1078812793.db2.gz QLWSKTNMVNILMF-ZOBUZTSGSA-N 1 0 414.472 2.605 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000805017718 1078828697 /nfs/dbraw/zinc/82/86/97/1078828697.db2.gz KWFLUHFXABAICY-GOSISDBHSA-N 1 0 405.461 2.778 20 0 HFADRO COC(=O)N1CCC[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000805051231 1078865291 /nfs/dbraw/zinc/86/52/91/1078865291.db2.gz UFMMWUJLUGQHHP-SIKLNZKXSA-N 1 0 400.523 2.525 20 0 HFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000805104579 1078888351 /nfs/dbraw/zinc/88/83/51/1078888351.db2.gz XEBIWDKOZHRKBE-LEOABGAYSA-N 1 0 406.493 2.594 20 0 HFADRO CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000805111318 1078896972 /nfs/dbraw/zinc/89/69/72/1078896972.db2.gz UIXFBYOHCVNNGZ-OAQYLSRUSA-N 1 0 407.580 2.507 20 0 HFADRO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1nc2ccccc2s1 ZINC000805119260 1078903218 /nfs/dbraw/zinc/90/32/18/1078903218.db2.gz BWQYOFZICBEZAE-HNSVSWJLSA-N 1 0 415.563 2.740 20 0 HFADRO COC1(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCC(c2ccccc2)CC1 ZINC000805074813 1078906512 /nfs/dbraw/zinc/90/65/12/1078906512.db2.gz QBBZJFKOIDQMKR-WBWZNMHFSA-N 1 0 401.551 2.892 20 0 HFADRO O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000805075255 1078907292 /nfs/dbraw/zinc/90/72/92/1078907292.db2.gz VNCJEXQFSHMMLS-VAMGGRTRSA-N 1 0 407.942 2.970 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000805089129 1078916887 /nfs/dbraw/zinc/91/68/87/1078916887.db2.gz LEKVEIVBDITJNI-RDJZCZTQSA-N 1 0 412.575 2.573 20 0 HFADRO COC[C@H](C)n1c(SCC(=O)N(C)C[C@H]2CCC[N@@H+]2C)nnc1-c1ccccc1 ZINC001130097847 1078948094 /nfs/dbraw/zinc/94/80/94/1078948094.db2.gz GWUNIOXBKJSMFE-FUHWJXTLSA-N 1 0 417.579 2.797 20 0 HFADRO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC001130099495 1078949899 /nfs/dbraw/zinc/94/98/99/1078949899.db2.gz VKHJMHOJQFYNCN-HXUWFJFHSA-N 1 0 421.607 2.890 20 0 HFADRO COC[C@]1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000805156641 1078950196 /nfs/dbraw/zinc/95/01/96/1078950196.db2.gz DCRXPKBBPTXKTN-MLOZMYIXSA-N 1 0 424.586 2.717 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000747232077 1078956523 /nfs/dbraw/zinc/95/65/23/1078956523.db2.gz QZQAAUHDJBMNHZ-SJBKTWHCSA-N 1 0 406.482 2.734 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000805176744 1078962148 /nfs/dbraw/zinc/96/21/48/1078962148.db2.gz NQIJCEXIWYRWOD-FXAWDEMLSA-N 1 0 402.539 2.817 20 0 HFADRO CCOC(=O)c1cnn(C2CCN(C(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2)c1C ZINC000805182099 1078965264 /nfs/dbraw/zinc/96/52/64/1078965264.db2.gz CXADAIDSQAWOIK-MRXNPFEDSA-N 1 0 405.543 2.589 20 0 HFADRO COC[C@]1(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000805191832 1078968550 /nfs/dbraw/zinc/96/85/50/1078968550.db2.gz RNKXDUAAYXWWNV-HRAATJIYSA-N 1 0 414.591 2.678 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(CCC[NH+](C)C)Cc2ccccc2)ccc1F ZINC000747236807 1079010146 /nfs/dbraw/zinc/01/01/46/1079010146.db2.gz GVOQLNONZSQLQQ-UHFFFAOYSA-N 1 0 408.495 2.755 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000805331250 1079021698 /nfs/dbraw/zinc/02/16/98/1079021698.db2.gz IPVCCXGGPIAWIA-BBRMVZONSA-N 1 0 405.955 2.972 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000805332608 1079022695 /nfs/dbraw/zinc/02/26/95/1079022695.db2.gz ZZEPKJNJHFAQAE-WFASDCNBSA-N 1 0 415.353 2.551 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000805332335 1079022955 /nfs/dbraw/zinc/02/29/55/1079022955.db2.gz RFTMYHRXUZIBBI-WMZOPIPTSA-N 1 0 420.554 2.618 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1F ZINC000805332378 1079023038 /nfs/dbraw/zinc/02/30/38/1079023038.db2.gz SRSAODAJGWDATB-CRAIPNDOSA-N 1 0 411.543 2.555 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000805336077 1079024349 /nfs/dbraw/zinc/02/43/49/1079024349.db2.gz DARKKRWCRZSYMU-KKSFZXQISA-N 1 0 418.497 2.790 20 0 HFADRO C[C@]1(CNC(=O)NCC2(S(C)(=O)=O)CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000805436819 1079064278 /nfs/dbraw/zinc/06/42/78/1079064278.db2.gz ABTGHHDJUOTIOQ-HXUWFJFHSA-N 1 0 407.580 2.555 20 0 HFADRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)NCCc1ccc(OC(F)(F)F)cc1 ZINC001170481616 1079077608 /nfs/dbraw/zinc/07/76/08/1079077608.db2.gz WFTYIQXKQHBXOO-KURKYZTESA-N 1 0 400.441 2.869 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(Cl)cc1Cl ZINC000747246199 1079102471 /nfs/dbraw/zinc/10/24/71/1079102471.db2.gz BYQJITGYLLSZEG-NSHDSACASA-N 1 0 409.335 2.933 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc1 ZINC000747251590 1079127893 /nfs/dbraw/zinc/12/78/93/1079127893.db2.gz XFPCPLHDLCJLJO-JYRVWZFOSA-N 1 0 420.506 2.764 20 0 HFADRO CNC(=O)c1cncc(/C=C/C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001130257195 1079146247 /nfs/dbraw/zinc/14/62/47/1079146247.db2.gz MUCAZIMHHFPKIK-DGSRBQDKSA-N 1 0 406.530 2.966 20 0 HFADRO CC(C)(C)n1nnc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)n1 ZINC001130281324 1079152340 /nfs/dbraw/zinc/15/23/40/1079152340.db2.gz IHLPJZXTRIWABY-VQTJNVASSA-N 1 0 410.566 2.983 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)C1 ZINC000805636741 1079190243 /nfs/dbraw/zinc/19/02/43/1079190243.db2.gz BGMGXITUNRRXDC-MJGOQNOKSA-N 1 0 417.598 2.974 20 0 HFADRO O=C(COC(=O)c1ccc2oc(=O)[nH]c2c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000805655048 1079205562 /nfs/dbraw/zinc/20/55/62/1079205562.db2.gz CXEVAVQVICJIKN-UHFFFAOYSA-N 1 0 409.442 2.602 20 0 HFADRO CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC001130360330 1079230064 /nfs/dbraw/zinc/23/00/64/1079230064.db2.gz VNNZWIIROVNSTR-UHFFFAOYSA-N 1 0 413.522 2.537 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000805792125 1079257409 /nfs/dbraw/zinc/25/74/09/1079257409.db2.gz CGSGKWNEOQVANP-OAQYLSRUSA-N 1 0 423.579 2.600 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000805762729 1079263578 /nfs/dbraw/zinc/26/35/78/1079263578.db2.gz DWIGFAIJFSGYDY-QGZVFWFLSA-N 1 0 400.527 2.974 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001130369497 1079267864 /nfs/dbraw/zinc/26/78/64/1079267864.db2.gz FPSKLIKXMNORAY-WWNBULGVSA-N 1 0 414.550 2.903 20 0 HFADRO CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000805816302 1079289101 /nfs/dbraw/zinc/28/91/01/1079289101.db2.gz XBAFEKAMLXYCDY-UHFFFAOYSA-N 1 0 411.550 2.603 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)CNC(=O)CO3)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170489611 1079293809 /nfs/dbraw/zinc/29/38/09/1079293809.db2.gz CKZJERYHBFEJBK-BCDXTJNWSA-N 1 0 409.571 2.924 20 0 HFADRO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2COC(=O)NC2CCCCC2)CC1 ZINC000805828875 1079298801 /nfs/dbraw/zinc/29/88/01/1079298801.db2.gz CRUBSNSVENOFRV-FQEVSTJZSA-N 1 0 408.587 2.500 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000805831823 1079300079 /nfs/dbraw/zinc/30/00/79/1079300079.db2.gz SQISFMPPPJELGF-QZTJIDSGSA-N 1 0 402.539 2.769 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc(C(N)=O)c4ccccc4n3)cc2)CC1 ZINC001170490378 1079315585 /nfs/dbraw/zinc/31/55/85/1079315585.db2.gz RJARTCLFPZNQOG-KLAILNCOSA-N 1 0 417.513 2.705 20 0 HFADRO CC[C@H](C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000805915614 1079330837 /nfs/dbraw/zinc/33/08/37/1079330837.db2.gz IQMQRPGUSKLSIJ-ZWKOTPCHSA-N 1 0 421.929 2.845 20 0 HFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000747276893 1079335745 /nfs/dbraw/zinc/33/57/45/1079335745.db2.gz HTRCUZYLEGSOSJ-NTEUORMPSA-N 1 0 417.369 2.792 20 0 HFADRO CS(=O)(=O)CCCOc1cccc2c1CC[C@H]2OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000805888168 1079339743 /nfs/dbraw/zinc/33/97/43/1079339743.db2.gz LSQKFWQJSGCPFU-OAQYLSRUSA-N 1 0 421.559 2.905 20 0 HFADRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747281514 1079353032 /nfs/dbraw/zinc/35/30/32/1079353032.db2.gz KJFPHAJOJBWKNT-LLVKDONJSA-N 1 0 409.335 2.742 20 0 HFADRO CC[C@H]1CC([N@@H+]2CCN(CC(N)=O)C(C)(C)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170494418 1079377187 /nfs/dbraw/zinc/37/71/87/1079377187.db2.gz VCZKKMYRGNXQBL-IRXDYDNUSA-N 1 0 410.603 2.825 20 0 HFADRO COC(=O)CC[C@@H]1CC[C@H](C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)O1 ZINC001130459008 1079382929 /nfs/dbraw/zinc/38/29/29/1079382929.db2.gz YJEUXMVRAQZUPE-GCGJSEPQSA-N 1 0 402.535 2.997 20 0 HFADRO CC[C@@H]1C[C@@H](N([C@H]2CCC[NH2+]C2)S(C)(=O)=O)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170495857 1079391285 /nfs/dbraw/zinc/39/12/85/1079391285.db2.gz DJMPSGXFCNKTSI-MHORFTMASA-N 1 0 417.616 2.957 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000806039703 1079410509 /nfs/dbraw/zinc/41/05/09/1079410509.db2.gz UNUXPPCIYYJJMS-SJLPKXTDSA-N 1 0 409.958 2.994 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000806041272 1079411188 /nfs/dbraw/zinc/41/11/88/1079411188.db2.gz GEGLVROXSXMNFE-UAGQMJEPSA-N 1 0 423.989 2.763 20 0 HFADRO O=S(=O)(c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1)N1CCOCC1 ZINC000806128192 1079458575 /nfs/dbraw/zinc/45/85/75/1079458575.db2.gz OMKZAOYYAGEBSD-KRWDZBQOSA-N 1 0 407.923 2.533 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000806170534 1079461510 /nfs/dbraw/zinc/46/15/10/1079461510.db2.gz VNMUQLFSIJIIJG-IRXDYDNUSA-N 1 0 417.554 2.958 20 0 HFADRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccc1SC(F)F ZINC000806171321 1079462899 /nfs/dbraw/zinc/46/28/99/1079462899.db2.gz YOLBCCSSETWIEM-GXTWGEPZSA-N 1 0 423.551 2.931 20 0 HFADRO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000806174159 1079463298 /nfs/dbraw/zinc/46/32/98/1079463298.db2.gz RWFULIMOEJQOGP-ZBFHGGJFSA-N 1 0 411.568 2.890 20 0 HFADRO C[C@H](C[C@H](C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000806183189 1079478010 /nfs/dbraw/zinc/47/80/10/1079478010.db2.gz OYAAWBLOZIRLDG-BBWFWOEESA-N 1 0 411.568 2.731 20 0 HFADRO COc1cc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)ccc1S(=O)(=O)C(F)F ZINC000806179030 1079498438 /nfs/dbraw/zinc/49/84/38/1079498438.db2.gz NYBBFLLWCUJKMD-IUODEOHRSA-N 1 0 400.447 2.513 20 0 HFADRO COc1cc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)ccc1S(=O)(=O)C(F)F ZINC000806179031 1079498521 /nfs/dbraw/zinc/49/85/21/1079498521.db2.gz NYBBFLLWCUJKMD-SWLSCSKDSA-N 1 0 400.447 2.513 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000806179830 1079498891 /nfs/dbraw/zinc/49/88/91/1079498891.db2.gz WIQAJZFOCNRVBM-MTQWCTHYSA-N 1 0 405.539 2.552 20 0 HFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000787332479 1076744757 /nfs/dbraw/zinc/74/47/57/1076744757.db2.gz LNDJXQIMLBDQKC-AOIWGVFYSA-N 1 0 424.586 2.527 20 0 HFADRO CC(C)n1ncc2cc(C=CC(=O)NCc3ccc(CC[NH+](C)C)cc3)c(=O)[nH]c21 ZINC000787334721 1076746438 /nfs/dbraw/zinc/74/64/38/1076746438.db2.gz CYZYMFNRDAUOJE-MDZDMXLPSA-N 1 0 407.518 2.739 20 0 HFADRO COC(=O)/C=C1\SCC(=O)N1CCCN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000746675373 1076748616 /nfs/dbraw/zinc/74/86/16/1076748616.db2.gz CKAMPINEKUGGSC-IGCAKMCNSA-N 1 0 417.575 2.563 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)n[nH]2)C1 ZINC000787300420 1076749139 /nfs/dbraw/zinc/74/91/39/1076749139.db2.gz JXLVBZRYSVORLV-AWEZNQCLSA-N 1 0 423.477 2.967 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H](C)C1 ZINC000787303305 1076752097 /nfs/dbraw/zinc/75/20/97/1076752097.db2.gz KYDWMALSXHAFDZ-MAUKXSAKSA-N 1 0 404.523 2.910 20 0 HFADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000787335175 1076755010 /nfs/dbraw/zinc/75/50/10/1076755010.db2.gz HBIUIFOGMVJYDZ-KGENOOAVSA-N 1 0 408.481 2.539 20 0 HFADRO COc1cccc2[nH]cc(CCNC(=O)N3CC[N@@H+](C4CCOCC4)C[C@H]3C)c21 ZINC000787310731 1076757050 /nfs/dbraw/zinc/75/70/50/1076757050.db2.gz PBFGRAXGTDTFJY-MRXNPFEDSA-N 1 0 400.523 2.614 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787377439 1076779831 /nfs/dbraw/zinc/77/98/31/1076779831.db2.gz NQRVWXYHTABTRC-HOTGVXAUSA-N 1 0 405.543 2.738 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787347024 1076788362 /nfs/dbraw/zinc/78/83/62/1076788362.db2.gz RYPRBDSIJFBROL-HOTGVXAUSA-N 1 0 405.543 2.738 20 0 HFADRO CC(C)C[C@H](CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)[NH+](C)C ZINC000787350056 1076790169 /nfs/dbraw/zinc/79/01/69/1076790169.db2.gz VHFSKRVHZKOOPN-JKSUJKDBSA-N 1 0 407.559 2.840 20 0 HFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393285 1076806435 /nfs/dbraw/zinc/80/64/35/1076806435.db2.gz IDJQRZQVHQRHCJ-DLBZAZTESA-N 1 0 419.570 2.938 20 0 HFADRO COc1cc(F)c(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c(OC)c1 ZINC001170074626 1076849874 /nfs/dbraw/zinc/84/98/74/1076849874.db2.gz UBUVMFHSHMZOPC-UHFFFAOYSA-N 1 0 405.451 2.545 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000746688383 1076856165 /nfs/dbraw/zinc/85/61/65/1076856165.db2.gz DZMTXUGWVZTFKM-UHFFFAOYSA-N 1 0 411.550 2.666 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCC(C)(C)C[NH+]3CCCC3)[nH]n2)C1 ZINC000787578647 1076870536 /nfs/dbraw/zinc/87/05/36/1076870536.db2.gz WDNLFUBNWJJCQR-INIZCTEOSA-N 1 0 419.570 2.986 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccccc1SC(F)F ZINC000787606773 1076875962 /nfs/dbraw/zinc/87/59/62/1076875962.db2.gz KSNMTQGQARQCQY-CYBMUJFWSA-N 1 0 413.490 2.652 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)[NH+]1CCCCC1 ZINC000787611719 1076878388 /nfs/dbraw/zinc/87/83/88/1076878388.db2.gz VSUZPIZNGQTDTM-XLIONFOSSA-N 1 0 420.985 2.584 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000787616382 1076879309 /nfs/dbraw/zinc/87/93/09/1076879309.db2.gz LUHSUNSOBVXUCH-OAQYLSRUSA-N 1 0 402.583 2.632 20 0 HFADRO CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000787630934 1076884155 /nfs/dbraw/zinc/88/41/55/1076884155.db2.gz FFDXCNHBHUIUHH-LJQANCHMSA-N 1 0 414.937 2.647 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1cc(C)on1)[N@@H+]1CCc2ccccc2C1 ZINC000787632927 1076885255 /nfs/dbraw/zinc/88/52/55/1076885255.db2.gz UNVUSPDMUAETGJ-FPOVZHCZSA-N 1 0 410.518 2.600 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000787674211 1076889598 /nfs/dbraw/zinc/88/95/98/1076889598.db2.gz TUZUDKZFCSCRMS-IBGZPJMESA-N 1 0 421.541 2.795 20 0 HFADRO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674491 1076890080 /nfs/dbraw/zinc/89/00/80/1076890080.db2.gz HRILGBLJYYYGTJ-KGLIPLIRSA-N 1 0 401.429 2.611 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)c1ccccc1 ZINC000787638461 1076892177 /nfs/dbraw/zinc/89/21/77/1076892177.db2.gz MOUZHQBOBVYXIR-CPJSRVTESA-N 1 0 422.573 2.656 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)c1ccccc1 ZINC000787638463 1076892197 /nfs/dbraw/zinc/89/21/97/1076892197.db2.gz MOUZHQBOBVYXIR-NLFFAJNJSA-N 1 0 422.573 2.656 20 0 HFADRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000787689653 1076913483 /nfs/dbraw/zinc/91/34/83/1076913483.db2.gz MHZVNPJJWQLVOZ-NMNUPHIUSA-N 1 0 408.546 2.885 20 0 HFADRO Cc1ccc(N2CCNC2=O)cc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000787700967 1076917923 /nfs/dbraw/zinc/91/79/23/1076917923.db2.gz REEPYZVHJRXTSS-UHFFFAOYSA-N 1 0 407.518 2.675 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H](N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000787710115 1076921382 /nfs/dbraw/zinc/92/13/82/1076921382.db2.gz ZZSBBOCIUIKABM-NFBKMPQASA-N 1 0 403.567 2.607 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000787709546 1076921702 /nfs/dbraw/zinc/92/17/02/1076921702.db2.gz XVPSRLKMFWJTFJ-KNKQGSTJSA-N 1 0 415.578 2.755 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCC(c3nnc4ccccn43)CC2)C1 ZINC000787718718 1076925216 /nfs/dbraw/zinc/92/52/16/1076925216.db2.gz SYSTZIMBFOVXSN-VGOFRKELSA-N 1 0 415.538 2.669 20 0 HFADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000787751927 1076927045 /nfs/dbraw/zinc/92/70/45/1076927045.db2.gz QTTXTPBRDDJRPY-JXFKEZNVSA-N 1 0 421.969 2.603 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000787754512 1076927701 /nfs/dbraw/zinc/92/77/01/1076927701.db2.gz AAZRKKVIURQLOK-FZKCQIBNSA-N 1 0 409.493 2.779 20 0 HFADRO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000787760381 1076929346 /nfs/dbraw/zinc/92/93/46/1076929346.db2.gz IFNJGZJNKNAAFV-KRWDZBQOSA-N 1 0 421.563 2.586 20 0 HFADRO CN(C(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CCCCCCC1 ZINC000787742202 1076937975 /nfs/dbraw/zinc/93/79/75/1076937975.db2.gz ZURGZUBZZMYXLX-JOCHJYFZSA-N 1 0 414.594 2.663 20 0 HFADRO Cc1csc([C@@](O)(CC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C(F)(F)F)n1 ZINC000787773331 1076942563 /nfs/dbraw/zinc/94/25/63/1076942563.db2.gz QDIQRNMGVJDQFD-INIZCTEOSA-N 1 0 417.457 2.693 20 0 HFADRO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1)[NH+]1CCCCC1 ZINC000787871573 1076967998 /nfs/dbraw/zinc/96/79/98/1076967998.db2.gz BRFKRWYMGVZOKZ-MOPGFXCFSA-N 1 0 424.545 2.828 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2cc(C)oc2C)cc1 ZINC000787887130 1076978249 /nfs/dbraw/zinc/97/82/49/1076978249.db2.gz TVQIZZOPUHRDNN-JOCHJYFZSA-N 1 0 401.507 2.701 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000787891246 1076980131 /nfs/dbraw/zinc/98/01/31/1076980131.db2.gz WWFCZWRGXZZPIE-CQSZACIVSA-N 1 0 401.898 2.719 20 0 HFADRO CCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1OC ZINC000787867841 1076987668 /nfs/dbraw/zinc/98/76/68/1076987668.db2.gz FRDSUQGJNHHQJZ-DLBZAZTESA-N 1 0 405.539 2.652 20 0 HFADRO CCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1OC ZINC000787867844 1076987743 /nfs/dbraw/zinc/98/77/43/1076987743.db2.gz FRDSUQGJNHHQJZ-SJORKVTESA-N 1 0 405.539 2.652 20 0 HFADRO CCCn1c(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc2ccccc21 ZINC000787867923 1076987988 /nfs/dbraw/zinc/98/79/88/1076987988.db2.gz AOMQDDNMRJKKPC-LJQANCHMSA-N 1 0 415.534 2.681 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000787909785 1076991833 /nfs/dbraw/zinc/99/18/33/1076991833.db2.gz JQSVPBLZVSFAHS-YRPNKDGESA-N 1 0 419.566 2.568 20 0 HFADRO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)C2)cc1 ZINC000787913046 1076993230 /nfs/dbraw/zinc/99/32/30/1076993230.db2.gz UXRUQPUEZJIKLE-SFTDATJTSA-N 1 0 414.594 2.708 20 0 HFADRO CC1(C(=O)OCCNS(=O)(=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000772709038 1077005367 /nfs/dbraw/zinc/00/53/67/1077005367.db2.gz FKERJPYUFZBLIU-UHFFFAOYSA-N 1 0 416.543 2.810 20 0 HFADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2cccc(SC(F)F)c2)cn1 ZINC000746722529 1077009682 /nfs/dbraw/zinc/00/96/82/1077009682.db2.gz KPZGRPCRNOXFPI-UHFFFAOYSA-N 1 0 412.466 2.520 20 0 HFADRO C[NH+](C)CCOc1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)ccn1 ZINC000787966039 1077011338 /nfs/dbraw/zinc/01/13/38/1077011338.db2.gz IEHINQGHWOOYIT-UHFFFAOYSA-N 1 0 411.380 2.836 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000787972975 1077013782 /nfs/dbraw/zinc/01/37/82/1077013782.db2.gz FZXNZUPUMKHADX-ZXYWRSMDSA-N 1 0 421.900 2.929 20 0 HFADRO C[C@@H](Cc1ccccc1F)NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787975336 1077015065 /nfs/dbraw/zinc/01/50/65/1077015065.db2.gz PEDILXADKRBWLH-MHECFPHRSA-N 1 0 411.521 2.901 20 0 HFADRO C[C@H](Cc1ccccc1F)NC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787975334 1077015091 /nfs/dbraw/zinc/01/50/91/1077015091.db2.gz PEDILXADKRBWLH-HOYKHHGWSA-N 1 0 411.521 2.901 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000787941003 1077018086 /nfs/dbraw/zinc/01/80/86/1077018086.db2.gz ORIUCJIGCXMJGC-QTPAZIJBSA-N 1 0 409.530 2.744 20 0 HFADRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787994198 1077021664 /nfs/dbraw/zinc/02/16/64/1077021664.db2.gz ACCRGWOXMXQZKP-DJIMGWMZSA-N 1 0 414.474 2.559 20 0 HFADRO NC(=O)c1c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)sc2c1CCCC2 ZINC000787995926 1077022836 /nfs/dbraw/zinc/02/28/36/1077022836.db2.gz OBWONSKKUHAKFK-VHSSKADRSA-N 1 0 403.548 2.602 20 0 HFADRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000787995969 1077022938 /nfs/dbraw/zinc/02/29/38/1077022938.db2.gz PFIGDOWCBGOJKB-HKUYNNGSSA-N 1 0 408.502 2.690 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000788035416 1077035554 /nfs/dbraw/zinc/03/55/54/1077035554.db2.gz SRGFNDFKPDXOLG-MQCDJQTNSA-N 1 0 402.539 2.887 20 0 HFADRO O=C1C(=O)N(CN2CC[C@H]([NH+]3CCCC3)C2)c2ccc(Br)c(Cl)c21 ZINC000788046212 1077040311 /nfs/dbraw/zinc/04/03/11/1077040311.db2.gz KAZJJZZJTLSENB-NSHDSACASA-N 1 0 412.715 2.759 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)C1 ZINC000746725245 1077047459 /nfs/dbraw/zinc/04/74/59/1077047459.db2.gz OKSOKMZRGZREHN-SFHVURJKSA-N 1 0 416.522 2.613 20 0 HFADRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)C1 ZINC001626111832 1077048568 /nfs/dbraw/zinc/04/85/68/1077048568.db2.gz SWXBEXAJVAACGW-CVEARBPZSA-N 1 0 405.543 2.704 20 0 HFADRO C[C@]1(C(=O)O[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000788070104 1077051930 /nfs/dbraw/zinc/05/19/30/1077051930.db2.gz IHSXJUFJBWGSLB-MBSDFSHPSA-N 1 0 423.517 2.513 20 0 HFADRO O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000788183706 1077068120 /nfs/dbraw/zinc/06/81/20/1077068120.db2.gz KMKWAGUFGJAOAP-UHFFFAOYSA-N 1 0 407.470 2.945 20 0 HFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CC2CCC3(CC2)OCCO3)CC1 ZINC000788158467 1077071249 /nfs/dbraw/zinc/07/12/49/1077071249.db2.gz FJUFGKHMOONPRN-UHFFFAOYSA-N 1 0 415.578 2.764 20 0 HFADRO COCCOC(=O)c1c(C)[nH]c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1C ZINC000788157427 1077071329 /nfs/dbraw/zinc/07/13/29/1077071329.db2.gz XIPVLZYZFMZQIG-UHFFFAOYSA-N 1 0 405.539 2.843 20 0 HFADRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)C1 ZINC000788207172 1077079579 /nfs/dbraw/zinc/07/95/79/1077079579.db2.gz FGMRYPRFQDPTQD-ZJSXRUAMSA-N 1 0 408.498 2.670 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCc2ccc(-c3ccccc3)cc2)CCSC1 ZINC000788240598 1077084757 /nfs/dbraw/zinc/08/47/57/1077084757.db2.gz DAUXUNCOQNKMKO-HSZRJFAPSA-N 1 0 411.571 2.566 20 0 HFADRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788243761 1077085386 /nfs/dbraw/zinc/08/53/86/1077085386.db2.gz JWZYUYJQJXCTPU-DLBZAZTESA-N 1 0 403.589 2.616 20 0 HFADRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788243764 1077085651 /nfs/dbraw/zinc/08/56/51/1077085651.db2.gz JWZYUYJQJXCTPU-SJORKVTESA-N 1 0 403.589 2.616 20 0 HFADRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788243763 1077085715 /nfs/dbraw/zinc/08/57/15/1077085715.db2.gz JWZYUYJQJXCTPU-IRXDYDNUSA-N 1 0 403.589 2.616 20 0 HFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1=O ZINC000788251614 1077087115 /nfs/dbraw/zinc/08/71/15/1077087115.db2.gz GYTANNGJTSNMPW-KQDGPHEJSA-N 1 0 408.543 2.523 20 0 HFADRO CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000788252679 1077087238 /nfs/dbraw/zinc/08/72/38/1077087238.db2.gz PWHBMSHWSFLCQZ-GOSISDBHSA-N 1 0 417.497 2.607 20 0 HFADRO COc1ccc([C@@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000788260776 1077088381 /nfs/dbraw/zinc/08/83/81/1077088381.db2.gz HFLVYPXCRBRRKX-VQIMIIECSA-N 1 0 410.522 2.525 20 0 HFADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)ncc1Cl ZINC000788307610 1077093205 /nfs/dbraw/zinc/09/32/05/1077093205.db2.gz KQKHJCMPNVCGLV-HUUCEWRRSA-N 1 0 416.747 2.995 20 0 HFADRO Cc1sc(Br)nc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000788309040 1077093373 /nfs/dbraw/zinc/09/33/73/1077093373.db2.gz RHOWUJQIARCNEH-QWHCGFSZSA-N 1 0 402.358 2.712 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C(F)(F)C3(O)CCCC3)CC2)c1 ZINC000788281973 1077097088 /nfs/dbraw/zinc/09/70/88/1077097088.db2.gz OFSJQLYNYGNPNX-UHFFFAOYSA-N 1 0 409.521 2.954 20 0 HFADRO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)C(F)(F)C1(O)CCCC1 ZINC000788282521 1077097304 /nfs/dbraw/zinc/09/73/04/1077097304.db2.gz JFLUJNKNQWPMCT-UHFFFAOYSA-N 1 0 409.521 2.641 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000788439326 1077147700 /nfs/dbraw/zinc/14/77/00/1077147700.db2.gz WQWIXPVVQOITLU-WNHJNPCNSA-N 1 0 409.571 2.685 20 0 HFADRO C[C@H](OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)NC(=O)NC(C)(C)C ZINC000772720147 1077155015 /nfs/dbraw/zinc/15/50/15/1077155015.db2.gz ZWLYYYLLYUXOGK-INIZCTEOSA-N 1 0 403.523 2.845 20 0 HFADRO COc1ccc([C@@H](CNc2ccnc(C(=O)N3CCCCC3)c2)[NH+](C)C)cc1OC ZINC000788450787 1077163735 /nfs/dbraw/zinc/16/37/35/1077163735.db2.gz YUEHAGTYLQAHQR-HXUWFJFHSA-N 1 0 412.534 2.862 20 0 HFADRO COc1cc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cnc1Br ZINC000788453538 1077164808 /nfs/dbraw/zinc/16/48/08/1077164808.db2.gz NXNFOGJUYKNMTD-CYBMUJFWSA-N 1 0 406.280 2.822 20 0 HFADRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476652 1077172443 /nfs/dbraw/zinc/17/24/43/1077172443.db2.gz SEDSHPBPJOEMHE-RBUKOAKNSA-N 1 0 410.603 2.556 20 0 HFADRO CC(=O)Nc1cccc2c1CC[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000788478335 1077173584 /nfs/dbraw/zinc/17/35/84/1077173584.db2.gz GXRPDQQDFIVLQP-UHFFFAOYSA-N 1 0 402.539 2.556 20 0 HFADRO O=C(CC1CCC2(CC1)OCCO2)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000788510931 1077186996 /nfs/dbraw/zinc/18/69/96/1077186996.db2.gz FZNYVNIVAADQGA-UHFFFAOYSA-N 1 0 402.535 2.583 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000788539193 1077193061 /nfs/dbraw/zinc/19/30/61/1077193061.db2.gz NIZSHOIAIDFCSA-UHFFFAOYSA-N 1 0 415.987 2.928 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCn2cnc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788568866 1077208815 /nfs/dbraw/zinc/20/88/15/1077208815.db2.gz DYYAIROSDIEPCZ-WMZOPIPTSA-N 1 0 402.495 2.567 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCc2ccc(OC)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788586533 1077213472 /nfs/dbraw/zinc/21/34/72/1077213472.db2.gz CWCKLEANGJQDGJ-SJLPKXTDSA-N 1 0 410.486 2.908 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000788611924 1077220414 /nfs/dbraw/zinc/22/04/14/1077220414.db2.gz SPSVVMKOHFRVFM-UKRRQHHQSA-N 1 0 414.344 2.988 20 0 HFADRO CCCC[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788650271 1077225048 /nfs/dbraw/zinc/22/50/48/1077225048.db2.gz PONSGGXCWDOZTJ-OYRHEFFESA-N 1 0 424.545 2.959 20 0 HFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000788618980 1077230522 /nfs/dbraw/zinc/23/05/22/1077230522.db2.gz CDWKLJMNZGTBDL-WTOYTKOKSA-N 1 0 404.551 2.915 20 0 HFADRO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCO1 ZINC000746754016 1077233796 /nfs/dbraw/zinc/23/37/96/1077233796.db2.gz ITKQMRJJKSNRHW-IBGZPJMESA-N 1 0 409.571 2.783 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000790924720 1077234418 /nfs/dbraw/zinc/23/44/18/1077234418.db2.gz RWYDCBDLXGYGTM-UHFFFAOYSA-N 1 0 416.499 2.554 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000790924752 1077234501 /nfs/dbraw/zinc/23/45/01/1077234501.db2.gz AOUXQPWVUVRAGJ-NRFANRHFSA-N 1 0 401.482 2.832 20 0 HFADRO CCC[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788625810 1077234765 /nfs/dbraw/zinc/23/47/65/1077234765.db2.gz UEBXVQBTDVFVGU-BGYRXZFFSA-N 1 0 410.518 2.569 20 0 HFADRO COc1ccc([C@@H](O)CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000790926803 1077235504 /nfs/dbraw/zinc/23/55/04/1077235504.db2.gz OUFUEQLBACZAKV-QFIPXVFZSA-N 1 0 413.518 2.701 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC[C@@H](C4(C)OCCO4)C3)cc2)CC1 ZINC000790926805 1077235554 /nfs/dbraw/zinc/23/55/54/1077235554.db2.gz OUUQFEVUHXPKIT-LJQANCHMSA-N 1 0 417.550 2.844 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)CCN1C(=O)OC(C)(C)C ZINC000788641154 1077243506 /nfs/dbraw/zinc/24/35/06/1077243506.db2.gz VMZZGLVTYTTWQW-RBUKOAKNSA-N 1 0 414.506 2.903 20 0 HFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3nc(Br)cs3)cc2)CC1 ZINC000788642899 1077244806 /nfs/dbraw/zinc/24/48/06/1077244806.db2.gz GAQQLZVTAGBKLF-UHFFFAOYSA-N 1 0 409.353 2.583 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000788643503 1077245070 /nfs/dbraw/zinc/24/50/70/1077245070.db2.gz FXDCYIIBHOBPCA-MSOLQXFVSA-N 1 0 423.579 2.911 20 0 HFADRO CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788691600 1077252972 /nfs/dbraw/zinc/25/29/72/1077252972.db2.gz ZDDYLGXSCFSTLR-NHCUHLMSSA-N 1 0 412.509 2.871 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)o1 ZINC000788656184 1077254412 /nfs/dbraw/zinc/25/44/12/1077254412.db2.gz KYLXYOODROIWSO-WBVHZDCISA-N 1 0 420.510 2.511 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(C)c1Cl ZINC000788657664 1077255894 /nfs/dbraw/zinc/25/58/94/1077255894.db2.gz JJBDMDYZEFUAHP-LLVKDONJSA-N 1 0 408.973 2.847 20 0 HFADRO C[C@@H]1[C@@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788660079 1077256572 /nfs/dbraw/zinc/25/65/72/1077256572.db2.gz AEJHJGURASDAFB-HZPDHXFCSA-N 1 0 411.568 2.767 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000790967430 1077257434 /nfs/dbraw/zinc/25/74/34/1077257434.db2.gz FPZWVOZUVDGWFP-HXUWFJFHSA-N 1 0 410.518 2.836 20 0 HFADRO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)Cn3cc(Br)ccc3=O)C2=O)cc1 ZINC000788665477 1077259772 /nfs/dbraw/zinc/25/97/72/1077259772.db2.gz ODROMDOKJROPDE-RHSMWYFYSA-N 1 0 404.308 2.703 20 0 HFADRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)cc1 ZINC000788695011 1077274399 /nfs/dbraw/zinc/27/43/99/1077274399.db2.gz YQADMCDQBQVULU-APWZRJJASA-N 1 0 405.539 2.937 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC001170147615 1077276331 /nfs/dbraw/zinc/27/63/31/1077276331.db2.gz ADGKQLZZUHWRIC-FZKQIMNGSA-N 1 0 422.444 2.582 20 0 HFADRO COCC(=O)Nc1ccc(NC(=O)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000746762133 1077279190 /nfs/dbraw/zinc/27/91/90/1077279190.db2.gz LSUYVQQDIUCXQX-UHFFFAOYSA-N 1 0 400.479 2.534 20 0 HFADRO CCN(CC)C(=O)C1CCN(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000746761605 1077281166 /nfs/dbraw/zinc/28/11/66/1077281166.db2.gz CPTKGTIQFIMZOJ-UHFFFAOYSA-N 1 0 415.582 2.941 20 0 HFADRO C[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)[N@@H+]1CCc2ccccc2C1 ZINC000788730577 1077284093 /nfs/dbraw/zinc/28/40/93/1077284093.db2.gz APAUPROPDZXRKB-CVDCTZTESA-N 1 0 420.557 2.876 20 0 HFADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788745986 1077288301 /nfs/dbraw/zinc/28/83/01/1077288301.db2.gz BOWPXJSMRXABCD-ICSRJNTNSA-N 1 0 400.567 2.939 20 0 HFADRO O=C(NC[C@@H]1CCN(c2ccccc2)C1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000788812312 1077295199 /nfs/dbraw/zinc/29/51/99/1077295199.db2.gz CCWRWCDNDAQLHW-YMISUZCDSA-N 1 0 412.578 2.542 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)CCN1C(=O)OC(C)(C)C ZINC000788777219 1077298088 /nfs/dbraw/zinc/29/80/88/1077298088.db2.gz OLATWUDOEANTRP-AOIWGVFYSA-N 1 0 420.554 2.852 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)CCN1C(=O)OC(C)(C)C ZINC000788779604 1077299372 /nfs/dbraw/zinc/29/93/72/1077299372.db2.gz XOYAOAGCTMPJRS-HKUYNNGSSA-N 1 0 404.507 2.695 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000746765202 1077301784 /nfs/dbraw/zinc/30/17/84/1077301784.db2.gz GJIDPNLGXHISMD-ZWKOTPCHSA-N 1 0 412.575 2.528 20 0 HFADRO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000788787819 1077304173 /nfs/dbraw/zinc/30/41/73/1077304173.db2.gz SURQQXDDCFGHNP-KNQAVFIVSA-N 1 0 408.546 2.949 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H](O)c2cc(C)cc(C)c2)CCN1C(=O)OC(C)(C)C ZINC000788821636 1077309525 /nfs/dbraw/zinc/30/95/25/1077309525.db2.gz YCEUBAUWQFIYTH-QRVBRYPASA-N 1 0 406.523 2.868 20 0 HFADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788826020 1077311178 /nfs/dbraw/zinc/31/11/78/1077311178.db2.gz NPIINJHAXHEDJD-DENIHFKCSA-N 1 0 408.546 2.949 20 0 HFADRO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000746978287 1077312155 /nfs/dbraw/zinc/31/21/55/1077312155.db2.gz ACDAVKSHALJUFR-UHFFFAOYSA-N 1 0 409.490 2.617 20 0 HFADRO COC(=O)c1nc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)ccc1OC ZINC001170148922 1077315946 /nfs/dbraw/zinc/31/59/46/1077315946.db2.gz KRBPGMQDBCAVFC-UHFFFAOYSA-N 1 0 420.473 2.786 20 0 HFADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CCC(C3CCOCC3)CC2)C1 ZINC000788845708 1077318322 /nfs/dbraw/zinc/31/83/22/1077318322.db2.gz CMQSCRHXRMZBAJ-GOSISDBHSA-N 1 0 423.598 2.888 20 0 HFADRO CC(C)C[C@@H](C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1)NC(=O)OC(C)(C)C ZINC000788847198 1077318471 /nfs/dbraw/zinc/31/84/71/1077318471.db2.gz SMPHPFRGBYPIKA-FQEVSTJZSA-N 1 0 424.630 2.802 20 0 HFADRO COC(=O)c1cn(C2CC[NH+](C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)nn1 ZINC000788850979 1077319883 /nfs/dbraw/zinc/31/98/83/1077319883.db2.gz AABDCXPKUUMPQY-HNNXBMFYSA-N 1 0 409.531 2.641 20 0 HFADRO CN(C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2)c1ccc(OCC[NH+](C)C)cc1 ZINC000788855154 1077334693 /nfs/dbraw/zinc/33/46/93/1077334693.db2.gz LQTJWGFKKLCIBX-SFHVURJKSA-N 1 0 403.523 2.847 20 0 HFADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000791214691 1077346763 /nfs/dbraw/zinc/34/67/63/1077346763.db2.gz LQEVDVHNHUDNDR-MRXNPFEDSA-N 1 0 415.481 2.770 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000788911425 1077350086 /nfs/dbraw/zinc/35/00/86/1077350086.db2.gz DDBMLPJBEPXRAY-NWDGAFQWSA-N 1 0 423.348 2.996 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000788911427 1077350257 /nfs/dbraw/zinc/35/02/57/1077350257.db2.gz DDBMLPJBEPXRAY-VXGBXAGGSA-N 1 0 423.348 2.996 20 0 HFADRO COc1cccc([C@@H](CNC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)[NH+](C)C)c1 ZINC000791301336 1077363408 /nfs/dbraw/zinc/36/34/08/1077363408.db2.gz QHTDKGBQEPOLKG-RTBURBONSA-N 1 0 403.429 2.886 20 0 HFADRO CCCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000747000078 1077364087 /nfs/dbraw/zinc/36/40/87/1077364087.db2.gz BMTBELOYXNBUCM-UHFFFAOYSA-N 1 0 412.509 2.955 20 0 HFADRO COc1ccc2nc(C[NH2+]CC3CCN(S(=O)(=O)C(F)F)CC3)sc2c1 ZINC000788964964 1077365527 /nfs/dbraw/zinc/36/55/27/1077365527.db2.gz SEWFIIAQYWUMNK-UHFFFAOYSA-N 1 0 405.492 2.659 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000788988078 1077374466 /nfs/dbraw/zinc/37/44/66/1077374466.db2.gz PHJUZEZCMXSAMT-MISYRCLQSA-N 1 0 409.571 2.689 20 0 HFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000791326133 1077374677 /nfs/dbraw/zinc/37/46/77/1077374677.db2.gz JMCHZQWUGFUBOQ-IBGZPJMESA-N 1 0 400.429 2.634 20 0 HFADRO Cc1c(Cl)c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)sc1S(N)(=O)=O ZINC000791330425 1077376305 /nfs/dbraw/zinc/37/63/05/1077376305.db2.gz LSXOMXXVKHTKAI-UHFFFAOYSA-N 1 0 417.940 2.550 20 0 HFADRO COC(=O)[C@H](C)C[N@H+](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000772728676 1077380294 /nfs/dbraw/zinc/38/02/94/1077380294.db2.gz IHPBRHPUDWVRRI-IKGGRYGDSA-N 1 0 403.523 2.512 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000791346133 1077381067 /nfs/dbraw/zinc/38/10/67/1077381067.db2.gz LKWCKIJHULDRNA-UHFFFAOYSA-N 1 0 424.545 2.533 20 0 HFADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000788980422 1077382407 /nfs/dbraw/zinc/38/24/07/1077382407.db2.gz FMQSVFLCWGOXGT-PXNSSMCTSA-N 1 0 415.559 2.976 20 0 HFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000788980425 1077382421 /nfs/dbraw/zinc/38/24/21/1077382421.db2.gz FMQSVFLCWGOXGT-XLIONFOSSA-N 1 0 415.559 2.976 20 0 HFADRO CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H](O)c1ccccc1 ZINC000789040675 1077391288 /nfs/dbraw/zinc/39/12/88/1077391288.db2.gz VIUKVUDHXFVQHH-FCHUYYIVSA-N 1 0 416.610 2.994 20 0 HFADRO COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000789062676 1077395017 /nfs/dbraw/zinc/39/50/17/1077395017.db2.gz QCGQELDDWOVLIT-OAHLLOKOSA-N 1 0 401.482 2.732 20 0 HFADRO C[C@H](OC(=O)c1c[nH]nc1-c1ccoc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789076268 1077397933 /nfs/dbraw/zinc/39/79/33/1077397933.db2.gz BJDFSQXNSQLVIC-MAUKXSAKSA-N 1 0 408.458 2.606 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)[NH+]1CCCCC1 ZINC000746786678 1077407320 /nfs/dbraw/zinc/40/73/20/1077407320.db2.gz KLXLGJWUBGOCEJ-MRXNPFEDSA-N 1 0 414.481 2.729 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 ZINC000746788485 1077408821 /nfs/dbraw/zinc/40/88/21/1077408821.db2.gz SKHJGKGDGWFNGR-UHFFFAOYSA-N 1 0 420.941 2.784 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000747015140 1077423459 /nfs/dbraw/zinc/42/34/59/1077423459.db2.gz SLJRVNVAMFTMLL-FQEVSTJZSA-N 1 0 406.530 2.783 20 0 HFADRO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)CCN2C[C@@H](O)c2ccccc2)cn1 ZINC000791486567 1077426740 /nfs/dbraw/zinc/42/67/40/1077426740.db2.gz MHTPRXQBZHCNSW-RBZQAINGSA-N 1 0 406.530 2.546 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)C2)c1 ZINC000791469781 1077442229 /nfs/dbraw/zinc/44/22/29/1077442229.db2.gz BYBMOFXBSRGENC-QFIPXVFZSA-N 1 0 408.502 2.887 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3cccc(OCC[NH+](C)C)c3)C2)c1 ZINC000791514474 1077451858 /nfs/dbraw/zinc/45/18/58/1077451858.db2.gz NHDANXNXTQOFDN-NRFANRHFSA-N 1 0 413.474 2.776 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)C2)c1 ZINC000791574730 1077467854 /nfs/dbraw/zinc/46/78/54/1077467854.db2.gz LCYXNNYVGRLJRH-KKSFZXQISA-N 1 0 401.507 2.674 20 0 HFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CCCC1 ZINC000791583137 1077471202 /nfs/dbraw/zinc/47/12/02/1077471202.db2.gz LIGSNRJTZCRHPB-UHFFFAOYSA-N 1 0 413.474 2.614 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792910 1077484456 /nfs/dbraw/zinc/48/44/56/1077484456.db2.gz JEKXDVUGSCITLI-UHFFFAOYSA-N 1 0 419.476 2.805 20 0 HFADRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)C(=O)Nc1ccnn1C1CCCC1 ZINC000746794053 1077487333 /nfs/dbraw/zinc/48/73/33/1077487333.db2.gz QOJFUAFKXMSVKW-UHFFFAOYSA-N 1 0 411.550 2.960 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nc(Br)ccc2F)[C@H](C)C1 ZINC000791595765 1077497291 /nfs/dbraw/zinc/49/72/91/1077497291.db2.gz XWWNCPWFRMWYAN-OCCSQVGLSA-N 1 0 402.308 2.850 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)c1 ZINC000746796782 1077499625 /nfs/dbraw/zinc/49/96/25/1077499625.db2.gz FAFZFOVVUAQSPQ-UHFFFAOYSA-N 1 0 424.501 2.658 20 0 HFADRO O=C(CC[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NC(=O)NCC(F)(F)F ZINC000789309437 1077508813 /nfs/dbraw/zinc/50/88/13/1077508813.db2.gz BUSNJEGPGAUDOZ-UHFFFAOYSA-N 1 0 422.835 2.604 20 0 HFADRO Cc1cc(=O)n2nc(C[NH+]3CCC(COc4ccc(Cl)nc4)CC3)sc2n1 ZINC000789310388 1077509499 /nfs/dbraw/zinc/50/94/99/1077509499.db2.gz CMQNRZISNADQPO-UHFFFAOYSA-N 1 0 405.911 2.799 20 0 HFADRO O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789311469 1077509854 /nfs/dbraw/zinc/50/98/54/1077509854.db2.gz KXXTWOLANCLJOU-UHFFFAOYSA-N 1 0 406.914 2.690 20 0 HFADRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789313072 1077510221 /nfs/dbraw/zinc/51/02/21/1077510221.db2.gz KJJWARXQINWQAM-SFHVURJKSA-N 1 0 423.941 2.770 20 0 HFADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2C)[NH+]2CCCC2)c1 ZINC000789353398 1077513877 /nfs/dbraw/zinc/51/38/77/1077513877.db2.gz SWOSVXQNZQGHBS-SFHVURJKSA-N 1 0 416.909 2.944 20 0 HFADRO CC(C)[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000791629580 1077519431 /nfs/dbraw/zinc/51/94/31/1077519431.db2.gz WSAQZNWWDZQHBO-KRWDZBQOSA-N 1 0 411.337 2.699 20 0 HFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000789344024 1077528706 /nfs/dbraw/zinc/52/87/06/1077528706.db2.gz NRIAVDSXGIVFCV-UYRXBGFRSA-N 1 0 420.506 2.700 20 0 HFADRO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)[C@@H]1CCCO1 ZINC000789384155 1077530480 /nfs/dbraw/zinc/53/04/80/1077530480.db2.gz UUYNWYIHJRRISU-RTWAWAEBSA-N 1 0 411.502 2.969 20 0 HFADRO CN(C)c1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2cccc(Cl)c2)cc1 ZINC000789395122 1077536462 /nfs/dbraw/zinc/53/64/62/1077536462.db2.gz WJPNETYUKGEBLW-UHFFFAOYSA-O 1 0 415.930 2.625 20 0 HFADRO Cc1ccc(C)c(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(N(C)C)cc2)c1 ZINC000789395523 1077537064 /nfs/dbraw/zinc/53/70/64/1077537064.db2.gz UXAIGRAHJAMBIJ-UHFFFAOYSA-O 1 0 409.539 2.589 20 0 HFADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(c3cccnc3)=NO2)CC1 ZINC000791785832 1077569579 /nfs/dbraw/zinc/56/95/79/1077569579.db2.gz YILNWINDWQGRKD-QFIPXVFZSA-N 1 0 407.518 2.991 20 0 HFADRO CON(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000746818515 1077571241 /nfs/dbraw/zinc/57/12/41/1077571241.db2.gz BXABXJORRNMXLT-SFHVURJKSA-N 1 0 417.531 2.719 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000791827086 1077575789 /nfs/dbraw/zinc/57/57/89/1077575789.db2.gz WWPLLWGDVHYFRX-NRFANRHFSA-N 1 0 404.514 2.803 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000791828375 1077576181 /nfs/dbraw/zinc/57/61/81/1077576181.db2.gz NDYNSXVLVSRHIM-DLBZAZTESA-N 1 0 413.440 2.788 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000746813911 1077577952 /nfs/dbraw/zinc/57/79/52/1077577952.db2.gz LZBVSNPZOBYDAL-HNNXBMFYSA-N 1 0 415.506 2.899 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCCN2c2ncnc3sccc32)CC1 ZINC000791840982 1077581276 /nfs/dbraw/zinc/58/12/76/1077581276.db2.gz COHGRHGIGYIUTJ-SFHVURJKSA-N 1 0 417.579 2.619 20 0 HFADRO O=C(CN1CCc2ccccc2C1=O)O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000789461706 1077583163 /nfs/dbraw/zinc/58/31/63/1077583163.db2.gz DUKYIZNUNRUCLU-JOCHJYFZSA-N 1 0 404.510 2.991 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c2)CC1 ZINC000791866047 1077591989 /nfs/dbraw/zinc/59/19/89/1077591989.db2.gz PKYKCVDZQFYISA-MRXNPFEDSA-N 1 0 405.543 2.863 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OC[C@H]1CCCS(=O)(=O)C1 ZINC000791877062 1077595551 /nfs/dbraw/zinc/59/55/51/1077595551.db2.gz XOMNDNQSIUWDKP-QZTJIDSGSA-N 1 0 409.548 2.921 20 0 HFADRO O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791939506 1077599813 /nfs/dbraw/zinc/59/98/13/1077599813.db2.gz MNTZEORPQJWGDV-AQNXPRMDSA-N 1 0 407.489 2.769 20 0 HFADRO O=C(COc1ccc2ccc(=O)oc2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791938894 1077599994 /nfs/dbraw/zinc/59/99/94/1077599994.db2.gz JOZXHCHWSPVGBO-BGYRXZFFSA-N 1 0 404.466 2.762 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000791913855 1077608598 /nfs/dbraw/zinc/60/85/98/1077608598.db2.gz XGWHZBUPZOKNFP-TZIWHRDSSA-N 1 0 421.969 2.819 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 ZINC000791972367 1077615416 /nfs/dbraw/zinc/61/54/16/1077615416.db2.gz WZJLTPVCQZKYLU-UHFFFAOYSA-N 1 0 410.584 2.630 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000791979469 1077620060 /nfs/dbraw/zinc/62/00/60/1077620060.db2.gz ICPKUDFSWDYUHL-AVRDEDQJSA-N 1 0 402.498 2.883 20 0 HFADRO CCn1c(=O)[nH]c2cc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@@H]43)ccc2c1=O ZINC000791979952 1077621260 /nfs/dbraw/zinc/62/12/60/1077621260.db2.gz PZGSFFPMXVTUCJ-RXVVDRJESA-N 1 0 418.497 2.879 20 0 HFADRO CCc1nc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)nn1-c1ccccc1F ZINC000791951061 1077627303 /nfs/dbraw/zinc/62/73/03/1077627303.db2.gz BEJNBZYBIKSGNO-UHFFFAOYSA-N 1 0 403.502 2.542 20 0 HFADRO CCC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H](O)c1ccccc1 ZINC000792006814 1077646397 /nfs/dbraw/zinc/64/63/97/1077646397.db2.gz OIDDSXDYWAFBJL-IFMALSPDSA-N 1 0 411.550 2.535 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)C2)c1 ZINC000792028970 1077658023 /nfs/dbraw/zinc/65/80/23/1077658023.db2.gz SYRQGSWYSPKYMA-FPOVZHCZSA-N 1 0 415.465 2.755 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)C2)c1 ZINC000792056678 1077661739 /nfs/dbraw/zinc/66/17/39/1077661739.db2.gz HXWMZURUJWRKGN-KKSFZXQISA-N 1 0 403.523 2.825 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000792057011 1077664222 /nfs/dbraw/zinc/66/42/22/1077664222.db2.gz LSUGZUSFBOGVRX-FDDCHVKYSA-N 1 0 423.513 2.978 20 0 HFADRO Cc1nc(COc2cccc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)c2)no1 ZINC000792070311 1077678079 /nfs/dbraw/zinc/67/80/79/1077678079.db2.gz TZLRIEXVZMOFSS-UHFFFAOYSA-N 1 0 402.495 2.530 20 0 HFADRO C[C@]1(c2ccc(Br)cc2)CC(=O)N(C[N@@H+]2CC[C@@]3(C2)CCCOC3)C1=O ZINC000789563774 1077683005 /nfs/dbraw/zinc/68/30/05/1077683005.db2.gz GIKXQPDFTXORJQ-WOJBJXKFSA-N 1 0 421.335 2.926 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792103017 1077697783 /nfs/dbraw/zinc/69/77/83/1077697783.db2.gz DQWCARLDSANTQV-VAMGGRTRSA-N 1 0 422.614 2.793 20 0 HFADRO Cc1ccc(N2CC[C@@H](NC(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)C2=O)cc1 ZINC000792105564 1077698805 /nfs/dbraw/zinc/69/88/05/1077698805.db2.gz KGSWBEWAWHTZAS-FUPPJEDESA-N 1 0 418.541 2.874 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000792106020 1077699550 /nfs/dbraw/zinc/69/95/50/1077699550.db2.gz RHHUFZZECAKUOC-UHFFFAOYSA-N 1 0 400.976 2.970 20 0 HFADRO Cc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000792108198 1077700363 /nfs/dbraw/zinc/70/03/63/1077700363.db2.gz SNOUDROJMODJJC-UNMCSNQZSA-N 1 0 406.530 2.922 20 0 HFADRO CC[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@H](O)c1ccccc1 ZINC000789601423 1077704980 /nfs/dbraw/zinc/70/49/80/1077704980.db2.gz OEVIWGMZTJANMM-DFQSSKMNSA-N 1 0 411.502 2.639 20 0 HFADRO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000746836346 1077708289 /nfs/dbraw/zinc/70/82/89/1077708289.db2.gz GRKZPKOQYDTOBM-KRWDZBQOSA-N 1 0 404.555 2.876 20 0 HFADRO COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=[NH2+])NOCC(=O)NC2CCCC2)cc1 ZINC000789633105 1077712182 /nfs/dbraw/zinc/71/21/82/1077712182.db2.gz PEWXKJSAGPAJFJ-GOSISDBHSA-N 1 0 420.510 2.818 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)C2)c1 ZINC000792132261 1077717724 /nfs/dbraw/zinc/71/77/24/1077717724.db2.gz KCFCMPFRCZSSAB-IIBYNOLFSA-N 1 0 401.507 2.674 20 0 HFADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000746846657 1077728274 /nfs/dbraw/zinc/72/82/74/1077728274.db2.gz DTWFTPGSOSZFBB-DNTLXXRNSA-N 1 0 412.513 2.983 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC(C[NH+]4CCCC4)CC3)C2)c1 ZINC000792172787 1077733874 /nfs/dbraw/zinc/73/38/74/1077733874.db2.gz SLHVIFCGVCSLEX-NRFANRHFSA-N 1 0 401.507 2.531 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC[N@@H+](C4CCCC4)CC3)C2)c1 ZINC000792193871 1077740020 /nfs/dbraw/zinc/74/00/20/1077740020.db2.gz KXVVKRFWLVEIAN-OAQYLSRUSA-N 1 0 401.507 2.674 20 0 HFADRO CCOC(=O)C1(C[NH2+]C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CCCC1 ZINC000792196875 1077741051 /nfs/dbraw/zinc/74/10/51/1077741051.db2.gz XGULTSFKGVKKOI-UHFFFAOYSA-N 1 0 424.563 2.561 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)C2)c1 ZINC000792199634 1077742853 /nfs/dbraw/zinc/74/28/53/1077742853.db2.gz SEPABAYTABEQDN-WZONZLPQSA-N 1 0 423.513 2.930 20 0 HFADRO CSCC[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000792231892 1077754604 /nfs/dbraw/zinc/75/46/04/1077754604.db2.gz QBRUNFODEUEIAD-QGZVFWFLSA-N 1 0 406.596 2.722 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)CC2)cc1 ZINC000789726421 1077760660 /nfs/dbraw/zinc/76/06/60/1077760660.db2.gz MBVQLPXLFMTJPL-OAQYLSRUSA-N 1 0 422.529 2.668 20 0 HFADRO C[NH+](C)CCN(Cc1cccs1)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792214032 1077768570 /nfs/dbraw/zinc/76/85/70/1077768570.db2.gz GGUGDBRTNKYAID-UHFFFAOYSA-N 1 0 424.611 2.581 20 0 HFADRO CCc1ccc(N2C[C@@H](C(=O)NCc3ccccc3OCC[NH+](C)C)CC2=O)cc1 ZINC000746854631 1077768603 /nfs/dbraw/zinc/76/86/03/1077768603.db2.gz ANAQGUVOLVNIKQ-FQEVSTJZSA-N 1 0 409.530 2.859 20 0 HFADRO CC(C)(C)OC(=O)NC(C)(C)c1noc([C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000789767003 1077768957 /nfs/dbraw/zinc/76/89/57/1077768957.db2.gz DXTAEOFZLVHVJH-NRFANRHFSA-N 1 0 402.495 2.923 20 0 HFADRO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000789768672 1077770554 /nfs/dbraw/zinc/77/05/54/1077770554.db2.gz HRRXMODBPIFRMP-GOSISDBHSA-N 1 0 415.600 2.524 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000792280904 1077773469 /nfs/dbraw/zinc/77/34/69/1077773469.db2.gz JVZSSTKEEICPHZ-OAQYLSRUSA-N 1 0 417.550 2.747 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)Nc3ccccc3C[NH+]3CCC(O)CC3)C2)c1 ZINC000792284496 1077775134 /nfs/dbraw/zinc/77/51/34/1077775134.db2.gz LZRIHIYPYMSSRL-QFIPXVFZSA-N 1 0 409.486 2.784 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(C(C)(C)O)cc3)cccc21 ZINC000789746353 1077778469 /nfs/dbraw/zinc/77/84/69/1077778469.db2.gz WMMNRYXAHOSUBC-LJQANCHMSA-N 1 0 411.502 2.554 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000789752184 1077782898 /nfs/dbraw/zinc/78/28/98/1077782898.db2.gz ODUGEAKYHJADGK-QGZVFWFLSA-N 1 0 415.925 2.890 20 0 HFADRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC000792257371 1077783261 /nfs/dbraw/zinc/78/32/61/1077783261.db2.gz KQKZAAYZQUMERW-CQSZACIVSA-N 1 0 414.497 2.951 20 0 HFADRO O=C(NC[C@@H](O)c1cccc(F)c1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792276977 1077790905 /nfs/dbraw/zinc/79/09/05/1077790905.db2.gz MVYQIGKZCKIRIB-OFLPRAFFSA-N 1 0 403.420 2.964 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(C(=O)N(C)OC)cc2)c1 ZINC000792302560 1077796808 /nfs/dbraw/zinc/79/68/08/1077796808.db2.gz SDDOBFVAEKHSCS-UHFFFAOYSA-N 1 0 414.506 2.924 20 0 HFADRO C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000792308804 1077799309 /nfs/dbraw/zinc/79/93/09/1077799309.db2.gz HNGVXMMNNDHLME-MOPGFXCFSA-N 1 0 422.614 2.698 20 0 HFADRO CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000789797985 1077803245 /nfs/dbraw/zinc/80/32/45/1077803245.db2.gz WELBOWFVYDRJGL-UHFFFAOYSA-N 1 0 401.479 2.509 20 0 HFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nc(Br)cs1 ZINC000792318856 1077804786 /nfs/dbraw/zinc/80/47/86/1077804786.db2.gz ZYDKSNPKWMVFPI-UHFFFAOYSA-N 1 0 410.337 2.792 20 0 HFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000789830135 1077811571 /nfs/dbraw/zinc/81/15/71/1077811571.db2.gz NAELPEPYTFEHBD-LEWJYISDSA-N 1 0 413.518 2.570 20 0 HFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000789830139 1077811680 /nfs/dbraw/zinc/81/16/80/1077811680.db2.gz NAELPEPYTFEHBD-SFTDATJTSA-N 1 0 413.518 2.570 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000792366076 1077817258 /nfs/dbraw/zinc/81/72/58/1077817258.db2.gz CSRSMDUJBQSVCZ-HNNXBMFYSA-N 1 0 420.485 2.973 20 0 HFADRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n[nH]nc2cc1F ZINC000789819330 1077826256 /nfs/dbraw/zinc/82/62/56/1077826256.db2.gz RQZZNEPUYURSOP-HNNXBMFYSA-N 1 0 405.437 2.993 20 0 HFADRO C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000792387959 1077830414 /nfs/dbraw/zinc/83/04/14/1077830414.db2.gz OTFKICKMTRFKLQ-YOEHRIQHSA-N 1 0 412.456 2.566 20 0 HFADRO COC(=O)c1ccc(OC(F)F)c(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c1 ZINC001170165816 1077833906 /nfs/dbraw/zinc/83/39/06/1077833906.db2.gz IHIYVOSVGODDAE-UHFFFAOYSA-N 1 0 420.416 2.943 20 0 HFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1nc(Br)ccc1O ZINC000789922560 1077848339 /nfs/dbraw/zinc/84/83/39/1077848339.db2.gz IHVCJBHMGQIQAO-UHFFFAOYSA-N 1 0 405.296 2.701 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)C2=O)c(C)c1 ZINC000789922226 1077848565 /nfs/dbraw/zinc/84/85/65/1077848565.db2.gz WOLMEGWOLZPNLO-VQTJNVASSA-N 1 0 401.551 2.627 20 0 HFADRO C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCC(=O)OC(C)(C)C)C1 ZINC001170122438 1077859165 /nfs/dbraw/zinc/85/91/65/1077859165.db2.gz QVHFZKPDTWENEF-MOPGFXCFSA-N 1 0 403.560 2.563 20 0 HFADRO CC(C)(CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)C[NH+]1CCCC1 ZINC000792464588 1077859473 /nfs/dbraw/zinc/85/94/73/1077859473.db2.gz IGTCMFKVDILRDR-UHFFFAOYSA-N 1 0 417.735 2.674 20 0 HFADRO O=C(CNC(=O)OCC(F)(F)F)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000746866030 1077862962 /nfs/dbraw/zinc/86/29/62/1077862962.db2.gz NUZNVVKJCCWPKB-IBGZPJMESA-N 1 0 413.440 2.790 20 0 HFADRO CS(=O)(=O)Nc1ccc(/C=C\C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792495064 1077866692 /nfs/dbraw/zinc/86/66/92/1077866692.db2.gz JMOLIHQNKUHRAS-FNUUXAGOSA-N 1 0 413.543 2.710 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)c1 ZINC000792473650 1077873246 /nfs/dbraw/zinc/87/32/46/1077873246.db2.gz BRKBQROHWRPOHN-JOCHJYFZSA-N 1 0 411.502 2.617 20 0 HFADRO CC[C@]1(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000772797377 1077873693 /nfs/dbraw/zinc/87/36/93/1077873693.db2.gz FKTVPJBTYIMSIG-PGRDOPGGSA-N 1 0 409.571 2.879 20 0 HFADRO CCOC(=O)Cc1ccc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)cc1F ZINC001170168814 1077890191 /nfs/dbraw/zinc/89/01/91/1077890191.db2.gz VHQWDIUOGDWNIL-UHFFFAOYSA-N 1 0 400.454 2.799 20 0 HFADRO CC[C@H]1C[C@H]([NH2+]C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)CCO1 ZINC001170169638 1077893447 /nfs/dbraw/zinc/89/34/47/1077893447.db2.gz OPOQXCSSGNQWIA-NJAFHUGGSA-N 1 0 407.486 2.535 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000792508673 1077896702 /nfs/dbraw/zinc/89/67/02/1077896702.db2.gz GZWDHGGMHIPKGP-QGZVFWFLSA-N 1 0 404.555 2.860 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000790031157 1077903568 /nfs/dbraw/zinc/90/35/68/1077903568.db2.gz FHYUWJQBHBMCJT-UXHICEINSA-N 1 0 414.594 2.572 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000772800991 1077907925 /nfs/dbraw/zinc/90/79/25/1077907925.db2.gz UVYSXIZCZMKDQJ-INIZCTEOSA-N 1 0 412.625 2.591 20 0 HFADRO CC[C@@H]1C[C@@H](n2cncc2C[C@H]([NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194069 1077911230 /nfs/dbraw/zinc/91/12/30/1077911230.db2.gz URAXYOMGRQTJGI-HQRMLTQVSA-N 1 0 424.501 2.937 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)Nc3nncs3)cc2)cc1 ZINC000790019079 1077915848 /nfs/dbraw/zinc/91/58/48/1077915848.db2.gz PIJJBPYBPKQRMY-UHFFFAOYSA-N 1 0 418.500 2.620 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224198 1077916801 /nfs/dbraw/zinc/91/68/01/1077916801.db2.gz UITSCTRZWRPBLP-CZAYHTPWSA-N 1 0 402.535 2.702 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCCn2cnc(COCC(=O)N(C)C)c2C1 ZINC001170273998 1077925895 /nfs/dbraw/zinc/92/58/95/1077925895.db2.gz OZALASDBEYLSRB-INIZCTEOSA-N 1 0 404.942 2.978 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001170273211 1077925910 /nfs/dbraw/zinc/92/59/10/1077925910.db2.gz KKUYHQRYDWIQBG-SFFNPBHPSA-N 1 0 406.954 2.857 20 0 HFADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000746874407 1077927805 /nfs/dbraw/zinc/92/78/05/1077927805.db2.gz LMLGAZUNYFGKQO-UHFFFAOYSA-N 1 0 419.469 2.902 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000790050054 1077930536 /nfs/dbraw/zinc/93/05/36/1077930536.db2.gz XDPREGDYUVSXQT-DOTOQJQBSA-N 1 0 411.568 2.672 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000790051340 1077931175 /nfs/dbraw/zinc/93/11/75/1077931175.db2.gz FKLAQVUWZMYPMN-DENIHFKCSA-N 1 0 414.594 2.524 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000790054688 1077933177 /nfs/dbraw/zinc/93/31/77/1077933177.db2.gz VCLLQMWYEPPFNB-HXUWFJFHSA-N 1 0 414.594 2.574 20 0 HFADRO Cn1cc(-c2cc(CNc3ccc(S(=O)(=O)C4CC[NH2+]CC4)cc3)ccn2)cn1 ZINC001170127503 1077935254 /nfs/dbraw/zinc/93/52/54/1077935254.db2.gz CYOODZGJPKHYOU-UHFFFAOYSA-N 1 0 411.531 2.620 20 0 HFADRO O=C(CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)N[C@@H]1CCCc2ccccc21 ZINC001170280115 1077935805 /nfs/dbraw/zinc/93/58/05/1077935805.db2.gz AICAIZMGBUQDJA-ZHALLVOQSA-N 1 0 423.479 2.913 20 0 HFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC001170281091 1077936846 /nfs/dbraw/zinc/93/68/46/1077936846.db2.gz UYBYMKUCWDRXHF-UXHICEINSA-N 1 0 402.535 2.563 20 0 HFADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315052 1077941152 /nfs/dbraw/zinc/94/11/52/1077941152.db2.gz JPSCUGWTMCTBIJ-LLVKDONJSA-N 1 0 407.383 2.996 20 0 HFADRO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC001170315053 1077941245 /nfs/dbraw/zinc/94/12/45/1077941245.db2.gz JPSCUGWTMCTBIJ-NSHDSACASA-N 1 0 407.383 2.996 20 0 HFADRO C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)c1nnnn1C1CC1 ZINC000790114379 1077942288 /nfs/dbraw/zinc/94/22/88/1077942288.db2.gz QAJNQMWSYTXDJV-GOEBONIOSA-N 1 0 403.556 2.903 20 0 HFADRO CCOCc1ccccc1CNC(=O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001170358131 1077949745 /nfs/dbraw/zinc/94/97/45/1077949745.db2.gz MRZRTLMFFOZKLN-UHFFFAOYSA-N 1 0 405.539 2.827 20 0 HFADRO Cc1ccc(CCC2CCN(C(=O)CN3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)CC2)cc1 ZINC001170351836 1077956318 /nfs/dbraw/zinc/95/63/18/1077956318.db2.gz OCWVHCQKEZVLQP-OYRHEFFESA-N 1 0 401.595 2.553 20 0 HFADRO COc1ccc([C@H](CNC(=O)[C@@H]2CC(c3cccnc3)=NO2)[NH+]2CCCCC2)cc1 ZINC000790125516 1077959339 /nfs/dbraw/zinc/95/93/39/1077959339.db2.gz UXGUSQASHCYQLA-VXKWHMMOSA-N 1 0 408.502 2.927 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2cc(C)[nH+]c(C)c2)C1 ZINC001170376302 1077962198 /nfs/dbraw/zinc/96/21/98/1077962198.db2.gz KHTPDLSQLFIEKA-BHDDXSALSA-N 1 0 417.550 2.873 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccc(C[C@@H](C[NH3+])C(=O)OC)cc1 ZINC001170403414 1077965542 /nfs/dbraw/zinc/96/55/42/1077965542.db2.gz AQRIXDPKCCXYSY-PXNSSMCTSA-N 1 0 402.466 2.702 20 0 HFADRO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170410921 1077966329 /nfs/dbraw/zinc/96/63/29/1077966329.db2.gz IOEOJKXGMOYQAG-DLBZAZTESA-N 1 0 419.566 2.803 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000790187449 1077966829 /nfs/dbraw/zinc/96/68/29/1077966829.db2.gz BCTCQDDGPBZFCG-DENIHFKCSA-N 1 0 411.550 2.633 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)cccc21 ZINC000790241214 1077974702 /nfs/dbraw/zinc/97/47/02/1077974702.db2.gz LLSBHCUWRCFYBE-IRXDYDNUSA-N 1 0 405.495 2.646 20 0 HFADRO Cn1ccnc1[C@](O)(CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)C(F)(F)F ZINC000790241244 1077974940 /nfs/dbraw/zinc/97/49/40/1077974940.db2.gz LNQZBSUTCUXLDH-RDTXWAMCSA-N 1 0 412.412 2.584 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1nnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000790249827 1077976821 /nfs/dbraw/zinc/97/68/21/1077976821.db2.gz KYTXOOMSOOWGDO-IUODEOHRSA-N 1 0 413.448 2.672 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N3C[C@@H](OC)[C@@H](OC)C3)cc2Cl)CC1 ZINC000792749154 1077984413 /nfs/dbraw/zinc/98/44/13/1077984413.db2.gz XPEKTQJCSSEJAK-KDURUIRLSA-N 1 0 410.946 2.750 20 0 HFADRO CN(C)S(=O)(=O)c1cccc(NC(=S)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000772819890 1077988239 /nfs/dbraw/zinc/98/82/39/1077988239.db2.gz SQMVMUTYRIYQRG-HNAYVOBHSA-N 1 0 422.620 2.582 20 0 HFADRO NC(CCN1CC[NH+](Cc2ccccc2)CC1)=NOCC1CCC2(CC1)OCCO2 ZINC000792731618 1077989931 /nfs/dbraw/zinc/98/99/31/1077989931.db2.gz RMOAGQOJVKRGIU-UHFFFAOYSA-N 1 0 416.566 2.626 20 0 HFADRO O=C1[C@H]([NH2+]C2(c3cccc(Br)c3)CCOCC2)CCN1C1CCOCC1 ZINC000790311435 1077994168 /nfs/dbraw/zinc/99/41/68/1077994168.db2.gz NCQGERCKCIBRAJ-GOSISDBHSA-N 1 0 423.351 2.824 20 0 HFADRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000790315277 1077995195 /nfs/dbraw/zinc/99/51/95/1077995195.db2.gz WSJHRVBBWGGQSU-RADWXHQJSA-N 1 0 409.571 2.830 20 0 HFADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)[C@@H]2CCCC[C@H]12 ZINC000790315728 1077995225 /nfs/dbraw/zinc/99/52/25/1077995225.db2.gz XXVSASDJHWJUKC-QMPCXHTRSA-N 1 0 419.610 2.950 20 0 HFADRO O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746894191 1077997412 /nfs/dbraw/zinc/99/74/12/1077997412.db2.gz FXWUNTJUAUJRLI-NBVRZTHBSA-N 1 0 419.591 2.880 20 0 HFADRO C[C@]1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792804272 1078000634 /nfs/dbraw/zinc/00/06/34/1078000634.db2.gz PAMHBKZDQVGXTI-QFIPXVFZSA-N 1 0 400.523 2.714 20 0 HFADRO Cn1c2ccc(C[N@H+](C)CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2sc1=O ZINC000792810873 1078001520 /nfs/dbraw/zinc/00/15/20/1078001520.db2.gz CAINFIXORQWRSD-UHFFFAOYSA-N 1 0 420.579 2.585 20 0 HFADRO CCn1c(CNC(=S)NC2CC[NH+](C)CC2)nc2cc(Br)ccc21 ZINC000790354397 1078002634 /nfs/dbraw/zinc/00/26/34/1078002634.db2.gz DYVKYPONJWEPTR-UHFFFAOYSA-N 1 0 410.385 2.877 20 0 HFADRO COCCN(Cc1sccc1Br)C(=S)NC1CC[NH+](C)CC1 ZINC000790354416 1078002660 /nfs/dbraw/zinc/00/26/60/1078002660.db2.gz UHMRTNJXNCXZFC-UHFFFAOYSA-N 1 0 406.415 2.928 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCO[C@H](c3ccc(F)cc3Cl)C1)C[NH+]1CCC2CC1 ZINC000790382097 1078009489 /nfs/dbraw/zinc/00/94/89/1078009489.db2.gz DFEBQLJSIPIYAK-AZUAARDMSA-N 1 0 409.889 2.727 20 0 HFADRO Cc1cc(Br)c2c(c1)CN(CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)CC2 ZINC000790383447 1078010289 /nfs/dbraw/zinc/01/02/89/1078010289.db2.gz JACDFJWJFIVOGM-HXUWFJFHSA-N 1 0 420.351 2.990 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnn(CCO)c3-c3ccccc3)cc2)CC1 ZINC000792843295 1078012999 /nfs/dbraw/zinc/01/29/99/1078012999.db2.gz YBDOUTLCDSGHRC-UHFFFAOYSA-N 1 0 419.529 2.937 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1)OCc1ccccc1 ZINC000792852670 1078014787 /nfs/dbraw/zinc/01/47/87/1078014787.db2.gz CHHBOUOEUWSLKQ-ACRUOGEOSA-N 1 0 414.550 2.961 20 0 HFADRO Fc1cc(F)c(N2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)nc1F ZINC000792880294 1078016288 /nfs/dbraw/zinc/01/62/88/1078016288.db2.gz CUYMUWGVQJAGCL-GOSISDBHSA-N 1 0 420.479 2.912 20 0 HFADRO CN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2)c1ccccc1C(=O)NCc1ccco1 ZINC000792939207 1078021919 /nfs/dbraw/zinc/02/19/19/1078021919.db2.gz GOPHTJVJKBJKKR-HSZRJFAPSA-N 1 0 411.502 2.675 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000790420175 1078022298 /nfs/dbraw/zinc/02/22/98/1078022298.db2.gz GSQDMQHAALHSKF-RBDMOPTHSA-N 1 0 411.550 2.773 20 0 HFADRO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000792943763 1078023115 /nfs/dbraw/zinc/02/31/15/1078023115.db2.gz UEPDLVSBKKALSL-GBXCKJPGSA-N 1 0 422.573 2.709 20 0 HFADRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN2CC[C@H](N3CCCC3=O)C2)c1=S ZINC000790461378 1078027979 /nfs/dbraw/zinc/02/79/79/1078027979.db2.gz SIRGGRMUMSVGSO-DLBZAZTESA-N 1 0 408.616 2.881 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)n1)[NH+]1CCCC1 ZINC000792949044 1078032878 /nfs/dbraw/zinc/03/28/78/1078032878.db2.gz VYDDXAZKJFDTDC-OAHLLOKOSA-N 1 0 402.882 2.635 20 0 HFADRO COC[C@]1(C)CC(=O)N(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000790452885 1078036074 /nfs/dbraw/zinc/03/60/74/1078036074.db2.gz RDRVDUFGDPHYJV-OAQYLSRUSA-N 1 0 409.571 2.942 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000792960374 1078036166 /nfs/dbraw/zinc/03/61/66/1078036166.db2.gz TYDWIXIFFSAQIE-KRWDZBQOSA-N 1 0 415.937 2.872 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 ZINC000790452918 1078036127 /nfs/dbraw/zinc/03/61/27/1078036127.db2.gz RMWLQYPJSMQDMO-HXUWFJFHSA-N 1 0 405.539 2.844 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)N(CCO)Cc2cccnc2Cl)[NH+]2CCCC2)o1 ZINC000792960467 1078036200 /nfs/dbraw/zinc/03/62/00/1078036200.db2.gz OMYVYOFFAWHORA-QGZVFWFLSA-N 1 0 406.914 2.977 20 0 HFADRO O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000747094540 1078036309 /nfs/dbraw/zinc/03/63/09/1078036309.db2.gz DCPJXADYMWSTAB-GHTZIAJQSA-N 1 0 424.501 2.648 20 0 HFADRO Cc1ccc2c(c1)CCN(CN1C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C1=O)C2 ZINC000790453481 1078036407 /nfs/dbraw/zinc/03/64/07/1078036407.db2.gz XMZNUQWSHVVGPK-VWLOTQADSA-N 1 0 418.541 2.897 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CN1C[C@]3(CCOC3)CC1=O)CC2 ZINC000790453443 1078036430 /nfs/dbraw/zinc/03/64/30/1078036430.db2.gz WBJAGQLIOSLMGS-QFIPXVFZSA-N 1 0 407.555 2.696 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000792962259 1078036658 /nfs/dbraw/zinc/03/66/58/1078036658.db2.gz IPEQBJAFJMGKNC-GOSISDBHSA-N 1 0 409.502 2.752 20 0 HFADRO COc1ccc(OC)c([C@H](O)C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)c1 ZINC000790457026 1078037201 /nfs/dbraw/zinc/03/72/01/1078037201.db2.gz DWSHZTFZVLBOHO-LXBDKUERSA-N 1 0 401.503 2.779 20 0 HFADRO COc1ccc(OC)c([C@H](O)C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)c1 ZINC000790457028 1078037238 /nfs/dbraw/zinc/03/72/38/1078037238.db2.gz DWSHZTFZVLBOHO-ODOSVJCGSA-N 1 0 401.503 2.779 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000792968457 1078038330 /nfs/dbraw/zinc/03/83/30/1078038330.db2.gz KNJQYCNNIWDCSN-UHFFFAOYSA-N 1 0 409.328 2.507 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000792968130 1078038410 /nfs/dbraw/zinc/03/84/10/1078038410.db2.gz RLVRPJXVPJRDFN-UHFFFAOYSA-N 1 0 403.502 2.654 20 0 HFADRO Cc1nn(C)c(CNc2ccc(OCCN3CC[NH+](C)CC3)cc2)c1Br ZINC000790470566 1078038949 /nfs/dbraw/zinc/03/89/49/1078038949.db2.gz BETVFTGHAHSNEF-UHFFFAOYSA-N 1 0 422.371 2.729 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)CCSC1 ZINC000792981446 1078039859 /nfs/dbraw/zinc/03/98/59/1078039859.db2.gz IFHFPWONCXGYNW-HXUWFJFHSA-N 1 0 412.600 2.680 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(CCO)Cc1cccnc1Cl ZINC000792981830 1078040320 /nfs/dbraw/zinc/04/03/20/1078040320.db2.gz ZAFGTSROFWZERB-LJQANCHMSA-N 1 0 416.953 2.804 20 0 HFADRO COCC[N@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@H]1CC[C@@H](C)C1 ZINC000790480150 1078040748 /nfs/dbraw/zinc/04/07/48/1078040748.db2.gz QJZPCWIBKRABTJ-VKGHLNKFSA-N 1 0 417.550 2.841 20 0 HFADRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nnnn1C1CC1 ZINC000790479673 1078040998 /nfs/dbraw/zinc/04/09/98/1078040998.db2.gz QGPYMFRDULLONS-SMMRIJLZSA-N 1 0 409.538 2.669 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000792988082 1078041922 /nfs/dbraw/zinc/04/19/22/1078041922.db2.gz WPEOYJXNSSWJGH-IIBYNOLFSA-N 1 0 413.559 2.738 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1Br ZINC000793019831 1078042486 /nfs/dbraw/zinc/04/24/86/1078042486.db2.gz VRFDTTJEBNFRAQ-ZIAGYGMSSA-N 1 0 423.355 2.860 20 0 HFADRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000790486392 1078042558 /nfs/dbraw/zinc/04/25/58/1078042558.db2.gz ADVSLWUZOXHCPU-RTBURBONSA-N 1 0 405.587 2.979 20 0 HFADRO C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1nnnn1C1CC1 ZINC000790490359 1078043044 /nfs/dbraw/zinc/04/30/44/1078043044.db2.gz NNGJKVJNSIXBBP-NHYWBVRUSA-N 1 0 411.432 2.690 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000790491672 1078043063 /nfs/dbraw/zinc/04/30/63/1078043063.db2.gz WZZATFSIAZXYOG-KRWDZBQOSA-N 1 0 407.946 2.518 20 0 HFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N[C@H]2CCCc3nc(C)ncc32)CC1 ZINC000806241360 1079518849 /nfs/dbraw/zinc/51/88/49/1079518849.db2.gz ZQNDNEFSYFZUSR-NRFANRHFSA-N 1 0 415.582 2.639 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000806254050 1079522245 /nfs/dbraw/zinc/52/22/45/1079522245.db2.gz YLSTUEXFDXOKIQ-NHCUHLMSSA-N 1 0 401.551 2.651 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc3ccccc3)C1)CCC2 ZINC000806299384 1079552335 /nfs/dbraw/zinc/55/23/35/1079552335.db2.gz XZDASHJSVGLVKL-SFTDATJTSA-N 1 0 423.561 2.691 20 0 HFADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806303648 1079556354 /nfs/dbraw/zinc/55/63/54/1079556354.db2.gz PXCRDEQCYYWHMJ-HXUWFJFHSA-N 1 0 417.598 2.928 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC001130586731 1079561173 /nfs/dbraw/zinc/56/11/73/1079561173.db2.gz STBOERPVYBUBEP-KURKYZTESA-N 1 0 407.580 2.723 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000806297473 1079587074 /nfs/dbraw/zinc/58/70/74/1079587074.db2.gz OCPTXHOARVWBCD-PMACEKPBSA-N 1 0 415.582 2.871 20 0 HFADRO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000806320251 1079590974 /nfs/dbraw/zinc/59/09/74/1079590974.db2.gz ZIWHBWCNEJZMKK-IBGZPJMESA-N 1 0 420.558 2.700 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000747324675 1079593042 /nfs/dbraw/zinc/59/30/42/1079593042.db2.gz CXMDKHVGQSFAGC-UXHICEINSA-N 1 0 403.486 2.527 20 0 HFADRO Cc1ccc2nc(COc3cccc(C(=O)NC[C@@H]4C[N@@H+]5CCC[C@@H]5CO4)c3)cn2c1 ZINC000747326639 1079631367 /nfs/dbraw/zinc/63/13/67/1079631367.db2.gz TYQHMUDCIIJBAG-IFMALSPDSA-N 1 0 420.513 2.815 20 0 HFADRO CN(C)c1ccc(C2CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC000806390573 1079642082 /nfs/dbraw/zinc/64/20/82/1079642082.db2.gz LVFDSSVUYZVCRG-OAQYLSRUSA-N 1 0 416.610 2.941 20 0 HFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000806363171 1079649510 /nfs/dbraw/zinc/64/95/10/1079649510.db2.gz UFFYZLAANDRHHQ-UHFFFAOYSA-N 1 0 406.530 2.948 20 0 HFADRO COCC1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000806427684 1079673916 /nfs/dbraw/zinc/67/39/16/1079673916.db2.gz NDQJJVSGITZJGL-ZWKOTPCHSA-N 1 0 424.586 2.576 20 0 HFADRO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000806429228 1079673959 /nfs/dbraw/zinc/67/39/59/1079673959.db2.gz RNAPLFZNZYZCET-QWFCFKBJSA-N 1 0 406.571 2.903 20 0 HFADRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCCC[C@@H]3COC(=O)NC)c2)CC1 ZINC000806430824 1079677410 /nfs/dbraw/zinc/67/74/10/1079677410.db2.gz BVPOEWMUIFQYNC-LJQANCHMSA-N 1 0 403.527 2.571 20 0 HFADRO C[C@H](CNC(=O)N1CCCC[C@@H]1COC(=O)N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000806434954 1079681442 /nfs/dbraw/zinc/68/14/42/1079681442.db2.gz ZDEMMFXZRLWCPN-YLJYHZDGSA-N 1 0 402.539 2.696 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000806434512 1079682116 /nfs/dbraw/zinc/68/21/16/1079682116.db2.gz NDMXXWFUDPSSEF-FXAWDEMLSA-N 1 0 402.539 2.743 20 0 HFADRO C[C@]1(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806434580 1079682649 /nfs/dbraw/zinc/68/26/49/1079682649.db2.gz OXMIXIMPINRTEN-HRAATJIYSA-N 1 0 405.926 2.936 20 0 HFADRO Cc1nc2cc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)ccc2s1 ZINC000806403154 1079691285 /nfs/dbraw/zinc/69/12/85/1079691285.db2.gz VWSXBVSWJASFLX-MQVJKMGUSA-N 1 0 401.536 2.810 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C(C)(C)C1 ZINC001130636065 1079726690 /nfs/dbraw/zinc/72/66/90/1079726690.db2.gz WBMMTDSKJWHPRF-HXUWFJFHSA-N 1 0 415.578 2.725 20 0 HFADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC1 ZINC000806465160 1079736298 /nfs/dbraw/zinc/73/62/98/1079736298.db2.gz SWODLHJVGWSYEV-OAQYLSRUSA-N 1 0 421.925 2.614 20 0 HFADRO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000806502133 1079752830 /nfs/dbraw/zinc/75/28/30/1079752830.db2.gz JUPZUWGRWGAWQZ-XSDIEEQYSA-N 1 0 401.551 2.602 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000806480295 1079765142 /nfs/dbraw/zinc/76/51/42/1079765142.db2.gz HDPBLOOHXDDPOW-VQIMIIECSA-N 1 0 418.563 2.601 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)NCCCOC3CC[NH+](Cc4ccccc4)CC3)ccnc1-2 ZINC000806485714 1079771799 /nfs/dbraw/zinc/77/17/99/1079771799.db2.gz AEGTYEVILGPGNY-UHFFFAOYSA-N 1 0 422.533 2.535 20 0 HFADRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC001170510331 1079814628 /nfs/dbraw/zinc/81/46/28/1079814628.db2.gz UAXUTNBDHCONDL-SCDSUCTJSA-N 1 0 402.310 2.599 20 0 HFADRO C[NH+]1CCC(CNC(=S)N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000806593730 1079836275 /nfs/dbraw/zinc/83/62/75/1079836275.db2.gz DSBYFTXHUQOFJO-NRFANRHFSA-N 1 0 410.628 2.926 20 0 HFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806596734 1079840118 /nfs/dbraw/zinc/84/01/18/1079840118.db2.gz BQTNPQUUNKZKRK-QGZVFWFLSA-N 1 0 414.937 2.517 20 0 HFADRO O=C(NCCc1ccc(Cl)nc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000806603738 1079846065 /nfs/dbraw/zinc/84/60/65/1079846065.db2.gz WPRTUDCBGDGMQB-GOSISDBHSA-N 1 0 406.958 2.508 20 0 HFADRO O=C(NCCO[C@@H]1CC1(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001130690434 1079852451 /nfs/dbraw/zinc/85/24/51/1079852451.db2.gz PXFXFZYSAMDWIK-BRWVUGGUSA-N 1 0 407.486 2.899 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806619686 1079854793 /nfs/dbraw/zinc/85/47/93/1079854793.db2.gz JRAQWGJIIBQDKI-UXHICEINSA-N 1 0 402.539 2.819 20 0 HFADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1nccn1-c1ccccc1 ZINC000806615688 1079856863 /nfs/dbraw/zinc/85/68/63/1079856863.db2.gz RSXMBAOHVZLHGN-CYBMUJFWSA-N 1 0 402.442 2.837 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000806633488 1079889069 /nfs/dbraw/zinc/88/90/69/1079889069.db2.gz SLYATYBLTKWEQL-IBGZPJMESA-N 1 0 420.554 2.826 20 0 HFADRO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)[NH+]2CCCC2)o1 ZINC000806672463 1079906114 /nfs/dbraw/zinc/90/61/14/1079906114.db2.gz DDOBLIQHYXVFDB-MSOLQXFVSA-N 1 0 406.527 2.987 20 0 HFADRO Cc1cc(I)cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000806684176 1079912371 /nfs/dbraw/zinc/91/23/71/1079912371.db2.gz RPVCOTYZZDVPQB-HUUCEWRRSA-N 1 0 415.275 2.584 20 0 HFADRO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000806741691 1079932548 /nfs/dbraw/zinc/93/25/48/1079932548.db2.gz MVXZSIZZOOWFFX-LJQANCHMSA-N 1 0 424.586 2.722 20 0 HFADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@@H]2CCCC23OCCO3)cc1 ZINC000806730123 1079955684 /nfs/dbraw/zinc/95/56/84/1079955684.db2.gz HEQPDPKGOIPIAI-IBGZPJMESA-N 1 0 401.507 2.983 20 0 HFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000806730735 1079957371 /nfs/dbraw/zinc/95/73/71/1079957371.db2.gz ZYNUYULQWAPLSK-UHFFFAOYSA-N 1 0 423.557 2.653 20 0 HFADRO Cc1ccc(CC(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c(Cl)n1 ZINC000806734530 1079959310 /nfs/dbraw/zinc/95/93/10/1079959310.db2.gz LIZYUFFZKMZNCB-UHFFFAOYSA-N 1 0 414.937 2.964 20 0 HFADRO COc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000806737553 1079963555 /nfs/dbraw/zinc/96/35/55/1079963555.db2.gz QDOGAPDCMSFBRH-XMMPIXPASA-N 1 0 409.530 2.648 20 0 HFADRO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130732685 1079969828 /nfs/dbraw/zinc/96/98/28/1079969828.db2.gz AVLQKTPYDYVSPR-PDIWNELESA-N 1 0 410.562 2.717 20 0 HFADRO CC(=O)Nc1ccc(CC(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130733061 1079971476 /nfs/dbraw/zinc/97/14/76/1079971476.db2.gz IIRFNBQUPOGJMM-DHIUTWEWSA-N 1 0 407.514 2.689 20 0 HFADRO O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000806757317 1079975328 /nfs/dbraw/zinc/97/53/28/1079975328.db2.gz WOHIAUUQFOQOAZ-UHFFFAOYSA-N 1 0 422.913 2.637 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3cccnc3N3CCCC3)cc2)CC1 ZINC001130741650 1080004688 /nfs/dbraw/zinc/00/46/88/1080004688.db2.gz AOQQPYMATXCMAU-UHFFFAOYSA-N 1 0 423.561 2.950 20 0 HFADRO O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806813890 1080027943 /nfs/dbraw/zinc/02/79/43/1080027943.db2.gz DASWNBAYLKIGIV-ZWKOTPCHSA-N 1 0 415.456 2.681 20 0 HFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)C2)CC1 ZINC000806844814 1080029842 /nfs/dbraw/zinc/02/98/42/1080029842.db2.gz VJCUWKCJYPNZJE-QVKFZJNVSA-N 1 0 404.942 2.508 20 0 HFADRO C[NH+](C)Cc1ccccc1NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747359358 1080032762 /nfs/dbraw/zinc/03/27/62/1080032762.db2.gz IPVYESSMHWXOSI-UHFFFAOYSA-N 1 0 410.518 2.641 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)ccc2c1 ZINC000806849881 1080035912 /nfs/dbraw/zinc/03/59/12/1080035912.db2.gz JDVULHRSLCLADV-OAQYLSRUSA-N 1 0 411.502 2.500 20 0 HFADRO CC[C@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000806835169 1080048543 /nfs/dbraw/zinc/04/85/43/1080048543.db2.gz ANFFIEHHJNRWBZ-OAQYLSRUSA-N 1 0 409.530 2.806 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000806840194 1080053011 /nfs/dbraw/zinc/05/30/11/1080053011.db2.gz OKGVEFUTAWIKCQ-UHFFFAOYSA-N 1 0 409.530 2.806 20 0 HFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3nc(Br)sc3C3CC3)CC2)C1 ZINC000806867073 1080068282 /nfs/dbraw/zinc/06/82/82/1080068282.db2.gz NWDOHRBWRJOHMO-ZDUSSCGKSA-N 1 0 413.385 2.635 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000806917378 1080087474 /nfs/dbraw/zinc/08/74/74/1080087474.db2.gz RMOBYBUDFQQNEV-IHPCNDPISA-N 1 0 402.539 2.817 20 0 HFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Cc2ccc(C)nc2Cl)CC1 ZINC000806921619 1080089821 /nfs/dbraw/zinc/08/98/21/1080089821.db2.gz DNKJWBQDMVVXJY-UHFFFAOYSA-N 1 0 408.974 2.673 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)N3CCC(OCCC[NH+](C)C)CC3)ccc2c1 ZINC000806927050 1080095976 /nfs/dbraw/zinc/09/59/76/1080095976.db2.gz AZARYVIVZRULEJ-UHFFFAOYSA-N 1 0 413.518 2.746 20 0 HFADRO O=C(NC1CCC([NH+]2CCCCC2)CC1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000806930150 1080097473 /nfs/dbraw/zinc/09/74/73/1080097473.db2.gz FLBBCDIYIQVWAE-GPJFCIFZSA-N 1 0 405.587 2.763 20 0 HFADRO CC(C)[NH+](CCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)C(C)C ZINC000806897037 1080105001 /nfs/dbraw/zinc/10/50/01/1080105001.db2.gz NSCGCOUZUYWRLS-RBUKOAKNSA-N 1 0 412.575 2.575 20 0 HFADRO CC(C)CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)n2)O1 ZINC001130782789 1080120153 /nfs/dbraw/zinc/12/01/53/1080120153.db2.gz DFINUSKESILTDW-ICBNADEASA-N 1 0 401.555 2.879 20 0 HFADRO O=C(Nc1nc(C2CCOCC2)cs1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806935217 1080142959 /nfs/dbraw/zinc/14/29/59/1080142959.db2.gz BJIYXWWSIRYMML-UHFFFAOYSA-N 1 0 420.579 2.889 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806935360 1080142969 /nfs/dbraw/zinc/14/29/69/1080142969.db2.gz XIJGVYRBHDFNQJ-UWJYYQICSA-N 1 0 409.530 2.879 20 0 HFADRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(F)CCS(=O)(=O)C1 ZINC001130814789 1080216609 /nfs/dbraw/zinc/21/66/09/1080216609.db2.gz DVUQEGYDEQSSLS-GOSISDBHSA-N 1 0 404.935 2.537 20 0 HFADRO C[NH+](C)C1CCN(CCNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000807031033 1080224649 /nfs/dbraw/zinc/22/46/49/1080224649.db2.gz UOAHRSOWUWKSNT-DEOSSOPVSA-N 1 0 424.589 2.958 20 0 HFADRO CSCC[C@@H](C)NC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000807055387 1080238563 /nfs/dbraw/zinc/23/85/63/1080238563.db2.gz UFFPNGIEUQLZMG-IUODEOHRSA-N 1 0 405.486 2.682 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000807055388 1080238754 /nfs/dbraw/zinc/23/87/54/1080238754.db2.gz UFFPNGIEUQLZMG-SWLSCSKDSA-N 1 0 405.486 2.682 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807068709 1080250725 /nfs/dbraw/zinc/25/07/25/1080250725.db2.gz OEEAJZYFDLKVAY-HXUWFJFHSA-N 1 0 417.554 2.998 20 0 HFADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2nc(Br)sc2C2CC2)CC1 ZINC000807068301 1080251308 /nfs/dbraw/zinc/25/13/08/1080251308.db2.gz VGEOQLVWKSWBQF-UHFFFAOYSA-N 1 0 402.358 2.748 20 0 HFADRO CC(=O)c1cc(NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000807072248 1080255729 /nfs/dbraw/zinc/25/57/29/1080255729.db2.gz KUTMMLWQADTEIL-QHCPKHFHSA-N 1 0 411.477 2.995 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)C(C)C ZINC000807085227 1080263084 /nfs/dbraw/zinc/26/30/84/1080263084.db2.gz UPZWYTQSPWOIQU-NRFANRHFSA-N 1 0 403.567 2.896 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000747373354 1080268304 /nfs/dbraw/zinc/26/83/04/1080268304.db2.gz LEIKUFLCHLIDBD-XYPHTWIQSA-N 1 0 419.913 2.659 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000807091957 1080270680 /nfs/dbraw/zinc/27/06/80/1080270680.db2.gz MTGQFERXYJTCCK-QFIPXVFZSA-N 1 0 413.562 2.747 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807092163 1080272261 /nfs/dbraw/zinc/27/22/61/1080272261.db2.gz SVKZDPGOXXLNPU-VQTJNVASSA-N 1 0 401.551 2.507 20 0 HFADRO CC(C)NC(=O)CSc1ccccc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000747372771 1080285878 /nfs/dbraw/zinc/28/58/78/1080285878.db2.gz AVZNQKCWCKKULN-YTQUADARSA-N 1 0 419.591 2.627 20 0 HFADRO CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000807129350 1080295685 /nfs/dbraw/zinc/29/56/85/1080295685.db2.gz CVERVXUBWUTWAS-PKOBYXMFSA-N 1 0 406.527 2.607 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 ZINC000807123169 1080296204 /nfs/dbraw/zinc/29/62/04/1080296204.db2.gz GEGZJEYHCLSVPQ-YUVVGHDESA-N 1 0 412.534 2.823 20 0 HFADRO CN(CC1C[NH+](C)C1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001130852091 1080296661 /nfs/dbraw/zinc/29/66/61/1080296661.db2.gz OTOYAMYOBGHCOC-UHFFFAOYSA-N 1 0 404.864 2.990 20 0 HFADRO COC(=O)N1CCC([C@H](C)NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000807147575 1080302935 /nfs/dbraw/zinc/30/29/35/1080302935.db2.gz GEBYFLODHJTACC-ZWOKBUDYSA-N 1 0 402.539 2.816 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000807162812 1080319482 /nfs/dbraw/zinc/31/94/82/1080319482.db2.gz AUSFAWXRISRDOM-FQEVSTJZSA-N 1 0 404.555 2.943 20 0 HFADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H](C)C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000807170861 1080325167 /nfs/dbraw/zinc/32/51/67/1080325167.db2.gz MKGCWVDTLJPSEO-GOSISDBHSA-N 1 0 422.614 2.506 20 0 HFADRO CC1(C)CN(C(=O)N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC[N@@H+]1CCO ZINC000807174473 1080329124 /nfs/dbraw/zinc/32/91/24/1080329124.db2.gz LNOAQYFKMTVSLX-CQSZACIVSA-N 1 0 402.322 2.915 20 0 HFADRO CCO[C@H]1C[C@H](NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C12CCCC2 ZINC000807198125 1080346073 /nfs/dbraw/zinc/34/60/73/1080346073.db2.gz DGNLCHSVYHJYLZ-GUMHCPJTSA-N 1 0 405.583 2.754 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)Nc2cnn(-c3ccccc3)n2)c1-c1ccccc1 ZINC000807184389 1080379283 /nfs/dbraw/zinc/37/92/83/1080379283.db2.gz YCLOGXDFBVUBHU-UHFFFAOYSA-N 1 0 401.474 2.945 20 0 HFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnc(C2OCCO2)s1 ZINC000807187331 1080381174 /nfs/dbraw/zinc/38/11/74/1080381174.db2.gz BHNQBQYOVCVWMB-UHFFFAOYSA-N 1 0 402.520 2.962 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000807233713 1080391946 /nfs/dbraw/zinc/39/19/46/1080391946.db2.gz ZBGWIGAJZKNMEB-VOTSOKGWSA-N 1 0 402.539 2.639 20 0 HFADRO Cc1cnc(C(C)(C)NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)s1 ZINC000807276466 1080431814 /nfs/dbraw/zinc/43/18/14/1080431814.db2.gz WPTDPUYZJKTVJK-UHFFFAOYSA-N 1 0 415.563 2.583 20 0 HFADRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001130895630 1080432630 /nfs/dbraw/zinc/43/26/30/1080432630.db2.gz UADJQUNRIVEBRJ-CHWSQXEVSA-N 1 0 420.000 2.544 20 0 HFADRO O=C(NCCC1N=NC(=S)N1C1CC1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000747386790 1080460402 /nfs/dbraw/zinc/46/04/02/1080460402.db2.gz QMOQDGJGNYYLLC-QGZVFWFLSA-N 1 0 403.527 2.754 20 0 HFADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC(c3ccccc3)CC2)Cc2ccccc2C1 ZINC000807298143 1080491715 /nfs/dbraw/zinc/49/17/15/1080491715.db2.gz WEQJJHHSUVQREJ-UHFFFAOYSA-N 1 0 405.542 2.608 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1ncc(C(=O)OC)nc1C ZINC001170522031 1080494889 /nfs/dbraw/zinc/49/48/89/1080494889.db2.gz UQZPGEFSYYCNJE-UHFFFAOYSA-N 1 0 410.474 2.707 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCc4cc(C)c(C)cc43)cc2)CC1 ZINC000807307934 1080500907 /nfs/dbraw/zinc/50/09/07/1080500907.db2.gz IAQVLTLEUMEZSA-UHFFFAOYSA-N 1 0 406.530 2.973 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)OC)cc1)c1ccco1 ZINC000807310673 1080504495 /nfs/dbraw/zinc/50/44/95/1080504495.db2.gz PHFBUHXRLIQDRR-XJKSGUPXSA-N 1 0 402.451 2.642 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)c1ccco1 ZINC000807313375 1080507200 /nfs/dbraw/zinc/50/72/00/1080507200.db2.gz ZHHLSDUUVZZJLQ-HOCLYGCPSA-N 1 0 413.453 2.789 20 0 HFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1N1CCSCC1 ZINC000807355559 1080518089 /nfs/dbraw/zinc/51/80/89/1080518089.db2.gz RYVPIIPIVFKBGP-MJGOQNOKSA-N 1 0 416.591 2.572 20 0 HFADRO CON(CC(C)(C)C)C(=O)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807359320 1080520063 /nfs/dbraw/zinc/52/00/63/1080520063.db2.gz HOGKFQDLRSWDFF-SFHVURJKSA-N 1 0 413.522 2.705 20 0 HFADRO CON(CC(C)(C)C)C(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807359318 1080520090 /nfs/dbraw/zinc/52/00/90/1080520090.db2.gz HOGKFQDLRSWDFF-GOSISDBHSA-N 1 0 413.522 2.705 20 0 HFADRO CCOC(=O)C1=C(Nc2ccc(C(=O)N(C)OC)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522310 1080539364 /nfs/dbraw/zinc/53/93/64/1080539364.db2.gz HUQGOIWSFFBBMI-UHFFFAOYSA-N 1 0 424.501 2.850 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000747393485 1080563309 /nfs/dbraw/zinc/56/33/09/1080563309.db2.gz FIKDBAPHXYRQGA-VXKWHMMOSA-N 1 0 403.542 2.940 20 0 HFADRO C[C@@H]1CC[C@H]1NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000807410134 1080604767 /nfs/dbraw/zinc/60/47/67/1080604767.db2.gz UUSQQBZPEJHOMR-VQIMIIECSA-N 1 0 400.523 2.744 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000807454524 1080635439 /nfs/dbraw/zinc/63/54/39/1080635439.db2.gz WXLUYRPAYGCHHN-APWZRJJASA-N 1 0 401.507 2.667 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000807458172 1080635479 /nfs/dbraw/zinc/63/54/79/1080635479.db2.gz UTXHAOBHSJBENU-FQEVSTJZSA-N 1 0 401.555 2.570 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)c1ccco1 ZINC000807443535 1080664867 /nfs/dbraw/zinc/66/48/67/1080664867.db2.gz NIVOOHLCDDADPU-KVSKMBFKSA-N 1 0 403.527 2.598 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000807491991 1080681192 /nfs/dbraw/zinc/68/11/92/1080681192.db2.gz CTJBFZCDSJCDDE-QZTJIDSGSA-N 1 0 417.554 2.565 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)C1 ZINC000807496178 1080689437 /nfs/dbraw/zinc/68/94/37/1080689437.db2.gz JADMDELLSGGBCR-YOSAUDMPSA-N 1 0 415.578 2.513 20 0 HFADRO CN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000807499959 1080697872 /nfs/dbraw/zinc/69/78/72/1080697872.db2.gz NIUKHVNXCLVFNS-VWLOTQADSA-N 1 0 423.557 2.523 20 0 HFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CC1 ZINC000807504756 1080705543 /nfs/dbraw/zinc/70/55/43/1080705543.db2.gz RNSMHOIYMLLNJV-RUZDIDTESA-N 1 0 423.557 2.523 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)n2)[NH+](C)C)cc1 ZINC000807509447 1080711419 /nfs/dbraw/zinc/71/14/19/1080711419.db2.gz JPPHGOXOMXSZNY-MRXNPFEDSA-N 1 0 404.898 2.880 20 0 HFADRO C[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC(c2ccccc2Cl)=NO1 ZINC000807481509 1080738397 /nfs/dbraw/zinc/73/83/97/1080738397.db2.gz GTHONUFGXLXNGH-KKSFZXQISA-N 1 0 405.926 2.794 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccc(Cl)c(Cl)c1 ZINC001170526711 1080743956 /nfs/dbraw/zinc/74/39/56/1080743956.db2.gz SBNNJMAMCMUDMG-HNNXBMFYSA-N 1 0 409.273 2.752 20 0 HFADRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)Nc3ccc(C4(O)COC4)cc3)cc2)C1 ZINC000807532112 1080744980 /nfs/dbraw/zinc/74/49/80/1080744980.db2.gz WHWHDUKRHBDICX-QGZVFWFLSA-N 1 0 423.513 2.714 20 0 HFADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000807543217 1080757988 /nfs/dbraw/zinc/75/79/88/1080757988.db2.gz KQWYEAPTFCASGE-UKRRQHHQSA-N 1 0 417.307 2.562 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543260 1080758013 /nfs/dbraw/zinc/75/80/13/1080758013.db2.gz DMERBEGWZHKEIH-DNVCBOLYSA-N 1 0 410.474 2.583 20 0 HFADRO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)CC[N@@H+]1Cc1ccccc1 ZINC000807543216 1080758210 /nfs/dbraw/zinc/75/82/10/1080758210.db2.gz KQWYEAPTFCASGE-HIFRSBDPSA-N 1 0 417.307 2.562 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)N[C@H](C2CC2)C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000807546186 1080762210 /nfs/dbraw/zinc/76/22/10/1080762210.db2.gz IUBQYHBSYUYEFS-QGZVFWFLSA-N 1 0 412.456 2.613 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000807547094 1080763602 /nfs/dbraw/zinc/76/36/02/1080763602.db2.gz XBNNWQBTNHFTAA-NQERJWCQSA-N 1 0 411.933 2.560 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807549582 1080766038 /nfs/dbraw/zinc/76/60/38/1080766038.db2.gz DORDLHSYOOXYPG-XMSQKQJNSA-N 1 0 424.586 2.530 20 0 HFADRO COC[C@]1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807550593 1080767215 /nfs/dbraw/zinc/76/72/15/1080767215.db2.gz IHJIWWUPEFBBMS-CSODHUTKSA-N 1 0 412.575 2.527 20 0 HFADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C[C@H]1C ZINC000747400984 1080778668 /nfs/dbraw/zinc/77/86/68/1080778668.db2.gz BAQDDVVHMANWSX-NVXWUHKLSA-N 1 0 417.579 2.964 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807582894 1080795091 /nfs/dbraw/zinc/79/50/91/1080795091.db2.gz WIACLPMSTQSCRV-FXAWDEMLSA-N 1 0 414.575 2.733 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1 ZINC000807556545 1080806351 /nfs/dbraw/zinc/80/63/51/1080806351.db2.gz RGMLKGVBGXCQHO-UHFFFAOYSA-N 1 0 416.953 2.683 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000807557507 1080807744 /nfs/dbraw/zinc/80/77/44/1080807744.db2.gz BVRLRFNVYRGQNB-UHFFFAOYSA-N 1 0 423.344 2.903 20 0 HFADRO CCN(C(=O)C(=O)NCc1cc(C)cc(Cl)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807557640 1080810345 /nfs/dbraw/zinc/81/03/45/1080810345.db2.gz FMIBEKKCBMKTDW-LJQANCHMSA-N 1 0 414.937 2.783 20 0 HFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000500241647 1126095271 /nfs/dbraw/zinc/09/52/71/1126095271.db2.gz KAZAERBIEYXMGM-HXUWFJFHSA-N 1 0 422.928 2.883 20 0 HFADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC001203281972 1126157773 /nfs/dbraw/zinc/15/77/73/1126157773.db2.gz CSVONAZERSCPOU-IBGZPJMESA-N 1 0 416.323 2.567 20 0 HFADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1OC ZINC001203581375 1126158999 /nfs/dbraw/zinc/15/89/99/1126158999.db2.gz LXIDIIQOLOMOOW-OFNKIYASSA-N 1 0 401.503 2.955 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC001460696795 1126191938 /nfs/dbraw/zinc/19/19/38/1126191938.db2.gz QGZJADJWIIMUQY-MSOLQXFVSA-N 1 0 416.465 2.561 20 0 HFADRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC001473839896 1126200155 /nfs/dbraw/zinc/20/01/55/1126200155.db2.gz MDKZAHRWTOMYJM-IBGZPJMESA-N 1 0 420.282 2.679 20 0 HFADRO COc1ccc2nc(C[NH2+][C@]3(CO)CCc4cc(Br)ccc4C3)[nH]c2n1 ZINC001559997278 1126207145 /nfs/dbraw/zinc/20/71/45/1126207145.db2.gz RMZTZBOFIAHFQB-LJQANCHMSA-N 1 0 417.307 2.739 20 0 HFADRO CNC(=O)c1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC001559997334 1126207175 /nfs/dbraw/zinc/20/71/75/1126207175.db2.gz SVWMTSOJJUYGKV-FQEVSTJZSA-N 1 0 403.320 2.818 20 0 HFADRO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)cnc2Cl)c1 ZINC001164401276 718855073 /nfs/dbraw/zinc/85/50/73/718855073.db2.gz AFPHRDKOHFLLRI-HNAYVOBHSA-N 1 0 409.864 2.974 20 0 HFADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCOCC23C[NH2+]C3)cc1 ZINC001164407053 718860382 /nfs/dbraw/zinc/86/03/82/718860382.db2.gz VYXJNMPRQRRRDM-UHFFFAOYSA-N 1 0 423.847 2.912 20 0 HFADRO FC(F)(c1ccc2nc(Cl)cnc2c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416202 718884950 /nfs/dbraw/zinc/88/49/50/718884950.db2.gz UNBKAVMDGUXZDS-UHFFFAOYSA-N 1 0 405.840 2.519 20 0 HFADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425865 718916885 /nfs/dbraw/zinc/91/68/85/718916885.db2.gz WAXBVRWXUXFRSA-WOJBJXKFSA-N 1 0 422.888 2.510 20 0 HFADRO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425528 718918024 /nfs/dbraw/zinc/91/80/24/718918024.db2.gz SUWFUTUJWIRUNR-AWEZNQCLSA-N 1 0 415.790 2.884 20 0 HFADRO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1Cl ZINC001164425877 718939604 /nfs/dbraw/zinc/93/96/04/718939604.db2.gz XNJYRTPGICKVOV-LSDHHAIUSA-N 1 0 408.836 2.927 20 0 HFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164423263 718941360 /nfs/dbraw/zinc/94/13/60/718941360.db2.gz FWTVVYJWUDSYRO-HOTGVXAUSA-N 1 0 421.879 2.587 20 0 HFADRO Cc1cccc(CN2C(=O)COC3(CCN(c4cc(C[NH+](C)C)ccn4)CC3)[C@@H]2C)n1 ZINC001164427125 718951952 /nfs/dbraw/zinc/95/19/52/718951952.db2.gz AYSFHWGDGLFGQS-IBGZPJMESA-N 1 0 423.561 2.633 20 0 HFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164432043 718967745 /nfs/dbraw/zinc/96/77/45/718967745.db2.gz FCJNZZANXJCNNC-ZIAGYGMSSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(Cl)nn1)C2 ZINC001164618311 719007666 /nfs/dbraw/zinc/00/76/66/719007666.db2.gz SDVFMCSRSUKDKU-SCLBCKFNSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164620239 719013786 /nfs/dbraw/zinc/01/37/86/719013786.db2.gz YAUDBQYJASTGRO-MIMYLULJSA-N 1 0 402.854 2.619 20 0 HFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001164619665 719017740 /nfs/dbraw/zinc/01/77/40/719017740.db2.gz WRPUDRMHWBUQGL-BPNCWPANSA-N 1 0 412.824 2.665 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)ncc3C(=O)OC)CC2)CC1 ZINC001164615931 719021160 /nfs/dbraw/zinc/02/11/60/719021160.db2.gz JVAGNAXMMPRWMW-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c(F)cc3C(=O)OC)CC2)CC1 ZINC001164618379 719026635 /nfs/dbraw/zinc/02/66/35/719026635.db2.gz VBYNRKKZFKXJRS-UHFFFAOYSA-N 1 0 407.486 2.560 20 0 HFADRO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)cnc1Cl ZINC001164619582 719126908 /nfs/dbraw/zinc/12/69/08/719126908.db2.gz FQUUIKWYMOBNNY-JQWIXIFHSA-N 1 0 411.877 2.587 20 0 HFADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccc(OC)c2)c1 ZINC001164634287 719138714 /nfs/dbraw/zinc/13/87/14/719138714.db2.gz UKVDHNMXDGKFGO-INIZCTEOSA-N 1 0 411.836 2.907 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CC[NH+](CC(C)C)CC3)nc2N1C1CCCC1 ZINC001164653374 719333449 /nfs/dbraw/zinc/33/34/49/719333449.db2.gz AJKAVGBKPLFSCI-GOSISDBHSA-N 1 0 400.571 2.759 20 0 HFADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[NH+](CC(C)C)CC3)c2c1C ZINC000301056634 719337116 /nfs/dbraw/zinc/33/71/16/719337116.db2.gz LBNWXNBDSOBLHU-UHFFFAOYSA-N 1 0 403.596 2.918 20 0 HFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3ccn4COCC[Si](C)(C)C)C[C@@H]21 ZINC001164671580 719412441 /nfs/dbraw/zinc/41/24/41/719412441.db2.gz QEQHRFBMCZIKMS-JKSUJKDBSA-N 1 0 424.021 2.916 20 0 HFADRO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1C ZINC001164666451 719441303 /nfs/dbraw/zinc/44/13/03/719441303.db2.gz CLSCISJIEJEFEJ-SJORKVTESA-N 1 0 401.580 2.813 20 0 HFADRO COc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681665 719657327 /nfs/dbraw/zinc/65/73/27/719657327.db2.gz PQRODBOEHRCEHZ-SFHVURJKSA-N 1 0 423.561 2.579 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164685231 719702852 /nfs/dbraw/zinc/70/28/52/719702852.db2.gz SPOQPLVFMPMQKS-UHFFFAOYSA-N 1 0 408.280 2.509 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(N)=O)nc(C4CC4)n2)CC3)cs1 ZINC001164697280 719817357 /nfs/dbraw/zinc/81/73/57/719817357.db2.gz BBLMBHSEGBXURU-UHFFFAOYSA-N 1 0 412.563 2.853 20 0 HFADRO COc1cnc2c(c1)ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698349 719897000 /nfs/dbraw/zinc/89/70/00/719897000.db2.gz RSPRQXNUHYEBPV-UHFFFAOYSA-N 1 0 411.531 2.966 20 0 HFADRO CCOC(=O)c1cc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2[nH]1 ZINC001164809059 720102244 /nfs/dbraw/zinc/10/22/44/720102244.db2.gz GNPGGEZWSISTAF-MBSDFSHPSA-N 1 0 412.534 2.924 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cccnc3n1)CC2 ZINC001164716281 720113729 /nfs/dbraw/zinc/11/37/29/720113729.db2.gz KFVPLRPSZAIMGP-IBGZPJMESA-N 1 0 404.518 2.927 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(NC(C)=O)n1)CC2 ZINC001164715502 720117389 /nfs/dbraw/zinc/11/73/89/720117389.db2.gz GNUWFYKRGMHDBB-FQEVSTJZSA-N 1 0 409.534 2.943 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3cnccc3cc1C(=O)OC)C2 ZINC001164816523 720126503 /nfs/dbraw/zinc/12/65/03/720126503.db2.gz ZUSMJNRBXWJVLP-MBSDFSHPSA-N 1 0 410.518 2.601 20 0 HFADRO Cc1cccc2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc12 ZINC001164715773 720165313 /nfs/dbraw/zinc/16/53/13/720165313.db2.gz WOKZMPNCIAYVSV-HXUWFJFHSA-N 1 0 406.534 2.888 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164816251 720173650 /nfs/dbraw/zinc/17/36/50/720173650.db2.gz KLQXVICYJXCRMN-QAPCUYQASA-N 1 0 416.900 2.782 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001164816249 720174288 /nfs/dbraw/zinc/17/42/88/720174288.db2.gz KLQXVICYJXCRMN-CRAIPNDOSA-N 1 0 416.900 2.782 20 0 HFADRO Cn1nnc2c1CCN(c1ccc3cc(F)ccc3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719159 720178529 /nfs/dbraw/zinc/17/85/29/720178529.db2.gz SWCHQIKWOIDKFQ-HXUWFJFHSA-N 1 0 410.497 2.719 20 0 HFADRO Cc1ccc2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164716545 720180663 /nfs/dbraw/zinc/18/06/63/720180663.db2.gz GXJISMJCENHXAR-OAQYLSRUSA-N 1 0 406.534 2.888 20 0 HFADRO Cn1nnc2c1CCN(c1cccc(OC(C)(C)C)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719520 720187205 /nfs/dbraw/zinc/18/72/05/720187205.db2.gz VPASPSYLRKHLSB-GOSISDBHSA-N 1 0 414.554 2.604 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c(OC)cc(OC)cc31)C2 ZINC001164811521 720200426 /nfs/dbraw/zinc/20/04/26/720200426.db2.gz JGFKSKCVCJNWNK-HXOBKFHXSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164815169 720202372 /nfs/dbraw/zinc/20/23/72/720202372.db2.gz WRMAGLFYJKPHGJ-WMLDXEAASA-N 1 0 402.873 2.739 20 0 HFADRO CCc1cc2c(ccnc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)o1 ZINC001164718503 720204576 /nfs/dbraw/zinc/20/45/76/720204576.db2.gz MNDLSSIAJJHVPP-LJQANCHMSA-N 1 0 410.522 2.735 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3ncccc32)CC1 ZINC001164819582 720301295 /nfs/dbraw/zinc/30/12/95/720301295.db2.gz DLGKPCLYWZFIHK-IRXDYDNUSA-N 1 0 414.941 2.590 20 0 HFADRO Cc1nc2ccc(F)cc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164825977 720306920 /nfs/dbraw/zinc/30/69/20/720306920.db2.gz UWNFYQNCHKCOAE-NHCUHLMSSA-N 1 0 411.525 2.989 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2SCC3)CC1 ZINC001164828226 720311253 /nfs/dbraw/zinc/31/12/53/720311253.db2.gz ZEWRMEMRPZJFIO-CVEARBPZSA-N 1 0 421.998 2.690 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828954 720318612 /nfs/dbraw/zinc/31/86/12/720318612.db2.gz KSSXYWRIWYKYIH-NHCUHLMSSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nnc(Cl)c3cccnc32)CC1 ZINC001164824745 720319126 /nfs/dbraw/zinc/31/91/26/720319126.db2.gz DBQBRMNIUKMVBI-DLBZAZTESA-N 1 0 414.941 2.590 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833871 720321604 /nfs/dbraw/zinc/32/16/04/720321604.db2.gz XUQJPBZLGZSYGH-GJZGRUSLSA-N 1 0 409.987 2.763 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164827804 720346205 /nfs/dbraw/zinc/34/62/05/720346205.db2.gz MRYSAVGBCHYMRN-ROUUACIJSA-N 1 0 403.596 2.889 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3c(nc2Cl)CCCC3)CC1 ZINC001164830668 720354801 /nfs/dbraw/zinc/35/48/01/720354801.db2.gz WLGNRHLBBYIDEM-RTBURBONSA-N 1 0 417.985 2.920 20 0 HFADRO c1ccc2nc(N3CCOCC3)c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164721763 720379600 /nfs/dbraw/zinc/37/96/00/720379600.db2.gz AYOWSRYMMGXTMA-YADHBBJMSA-N 1 0 416.529 2.715 20 0 HFADRO C[N@H+](Cc1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1)C1CC1 ZINC001164836104 720502322 /nfs/dbraw/zinc/50/23/22/720502322.db2.gz MOPAABMQBZAFMU-KSEOMHKRSA-N 1 0 412.578 2.920 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)C1 ZINC001164730015 720517549 /nfs/dbraw/zinc/51/75/49/720517549.db2.gz PRWRGURETHATPF-CQSZACIVSA-N 1 0 404.946 2.658 20 0 HFADRO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839979 720524736 /nfs/dbraw/zinc/52/47/36/720524736.db2.gz VCHYUDMTEUQJRB-NLWGTHIKSA-N 1 0 412.538 2.536 20 0 HFADRO COC(=O)c1c[nH]c2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc12 ZINC001164840068 720525467 /nfs/dbraw/zinc/52/54/67/720525467.db2.gz WGTVKXOQXUZDEA-MBOZVWFJSA-N 1 0 422.533 2.924 20 0 HFADRO COC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ncc1F ZINC001164833753 720526550 /nfs/dbraw/zinc/52/65/50/720526550.db2.gz DQJRANIAQQNKPN-GPMSIDNRSA-N 1 0 401.486 2.582 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+][n-]c(Cl)c4ncnc3-4)CC[C@@H]21 ZINC001164836824 720565888 /nfs/dbraw/zinc/56/58/88/720565888.db2.gz LGEBYMWCSMCGBA-KKUMJFAQSA-N 1 0 400.918 2.581 20 0 HFADRO COc1nc(Cl)ncc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736521 720577811 /nfs/dbraw/zinc/57/78/11/720577811.db2.gz MQTARMBNTVCAIR-UHFFFAOYSA-N 1 0 412.872 2.539 20 0 HFADRO COc1cnc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841633 720585084 /nfs/dbraw/zinc/58/50/84/720585084.db2.gz TZTGJRQRSIKDBY-FUHIMQAGSA-N 1 0 407.522 2.608 20 0 HFADRO CSc1nc2sccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740844 720630630 /nfs/dbraw/zinc/63/06/30/720630630.db2.gz JLBZXRNZNMAZCP-OLZOCXBDSA-N 1 0 400.533 2.545 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2c1ccn2C ZINC001164843586 720641513 /nfs/dbraw/zinc/64/15/13/720641513.db2.gz YIWLWPLBFAHHCM-ZHALLVOQSA-N 1 0 409.538 2.551 20 0 HFADRO Fc1cccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738993 720668282 /nfs/dbraw/zinc/66/82/82/720668282.db2.gz LWMCPIZPCJNOPM-OLZOCXBDSA-N 1 0 400.845 2.554 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)CCCCC2 ZINC001164740627 720687649 /nfs/dbraw/zinc/68/76/49/720687649.db2.gz REFJJAXGGDAHKR-GJZGRUSLSA-N 1 0 400.914 2.531 20 0 HFADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001164839667 720687943 /nfs/dbraw/zinc/68/79/43/720687943.db2.gz BAVXPSYHDOWODV-LJQANCHMSA-N 1 0 410.518 2.913 20 0 HFADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nn1 ZINC001164839346 720702686 /nfs/dbraw/zinc/70/26/86/720702686.db2.gz LJCPYQWYYLZFCB-NRFANRHFSA-N 1 0 424.545 2.842 20 0 HFADRO CCOC(=O)c1nccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836965 720717189 /nfs/dbraw/zinc/71/71/89/720717189.db2.gz CDBKFGSALNFEIC-IBGZPJMESA-N 1 0 410.518 2.913 20 0 HFADRO COc1cc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc(Cl)n1 ZINC001164845286 720739798 /nfs/dbraw/zinc/73/97/98/720739798.db2.gz YXZTWLFYXDABDY-UHFFFAOYSA-N 1 0 412.872 2.932 20 0 HFADRO COc1nnc(Cl)cc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844354 720740121 /nfs/dbraw/zinc/74/01/21/720740121.db2.gz QGZUDLQZLHCRKD-UHFFFAOYSA-N 1 0 412.872 2.932 20 0 HFADRO CCN(c1ccccc1)c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164744082 720790786 /nfs/dbraw/zinc/79/07/86/720790786.db2.gz HIKJGEZFPXKXDB-VQTJNVASSA-N 1 0 417.517 2.767 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1NC(C)C ZINC001164741346 720808341 /nfs/dbraw/zinc/80/83/41/720808341.db2.gz BBDKKKHJGGEDQR-HSALFYBXSA-N 1 0 410.570 2.576 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164749799 720808615 /nfs/dbraw/zinc/80/86/15/720808615.db2.gz UOGNWOKMOPAPEB-SFHLNBCPSA-N 1 0 424.549 2.538 20 0 HFADRO Clc1cc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164747759 720813553 /nfs/dbraw/zinc/81/35/53/720813553.db2.gz PHHKMSUZXOPRMH-OFQRWUPVSA-N 1 0 408.337 2.754 20 0 HFADRO FC(F)(c1cnc(Cl)cn1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747488 720813772 /nfs/dbraw/zinc/81/37/72/720813772.db2.gz OEJLITSLFIQWSE-OWCLPIDISA-N 1 0 423.899 2.646 20 0 HFADRO COc1ccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164739756 720818671 /nfs/dbraw/zinc/81/86/71/720818671.db2.gz IHVDUJRMJYNUOW-NPPFBWRTSA-N 1 0 419.533 2.609 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c1 ZINC001164738135 720821034 /nfs/dbraw/zinc/82/10/34/720821034.db2.gz DUBKTSAVQMNNGB-NJDAHSKKSA-N 1 0 424.549 2.538 20 0 HFADRO c1coc(-c2cnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cn2)c1 ZINC001164745562 720824340 /nfs/dbraw/zinc/82/43/40/720824340.db2.gz WTZCKCQNAOOEDA-CMKODMSKSA-N 1 0 405.506 2.708 20 0 HFADRO Clc1nc2cccnc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743246 720827773 /nfs/dbraw/zinc/82/77/73/720827773.db2.gz RPNHBAVCJIABCJ-SOLBZPMBSA-N 1 0 424.940 2.649 20 0 HFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737666 720829077 /nfs/dbraw/zinc/82/90/77/720829077.db2.gz BLYKSKQJKSHMRO-LJCCNALRSA-N 1 0 420.920 2.833 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC[C@@H]2C1 ZINC001164849798 720837346 /nfs/dbraw/zinc/83/73/46/720837346.db2.gz DEPZTJUEYRSYEZ-VXGBXAGGSA-N 1 0 411.280 2.502 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2occc21 ZINC001164742954 720838342 /nfs/dbraw/zinc/83/83/42/720838342.db2.gz HOURRFZODSEZNF-BFYDXBDKSA-N 1 0 413.913 2.847 20 0 HFADRO CC(C)n1ccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164742533 720842859 /nfs/dbraw/zinc/84/28/59/720842859.db2.gz HGRNZJAHJOVEEG-SVFBPWRDSA-N 1 0 420.565 2.983 20 0 HFADRO COc1nnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc21 ZINC001164748019 720846409 /nfs/dbraw/zinc/84/64/09/720846409.db2.gz SETUTENOHPLPPY-WAOWUJCRSA-N 1 0 419.533 2.609 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@H](C)C5)CC[C@@H]2C1 ZINC001164852742 720853670 /nfs/dbraw/zinc/85/36/70/720853670.db2.gz FPKFRLDTBULVSM-LZLYRXPVSA-N 1 0 416.591 2.990 20 0 HFADRO Cc1cc2cccnc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748879 720854044 /nfs/dbraw/zinc/85/40/44/720854044.db2.gz MTMKDBXNSMJYDQ-QHAWAJNXSA-N 1 0 403.534 2.909 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(-c4cccc(Cl)n4)n3)CC[C@@H]2C1 ZINC001164854998 720855816 /nfs/dbraw/zinc/85/58/16/720855816.db2.gz LYKHEWWKABUVQL-VQIMIIECSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)ncc3-c3ccccc3)CC[C@@H]2C1 ZINC001164852643 720856907 /nfs/dbraw/zinc/85/69/07/720856907.db2.gz FCBWIGUMDIURIN-MJGOQNOKSA-N 1 0 402.926 2.971 20 0 HFADRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)n1 ZINC001164757893 720887532 /nfs/dbraw/zinc/88/75/32/720887532.db2.gz WFCAQVXUCARTGD-XUZZJYLKSA-N 1 0 423.561 2.944 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(C)c(-c4ccccc4F)n3)CC[C@@H]2C1 ZINC001164857447 720889015 /nfs/dbraw/zinc/88/90/15/720889015.db2.gz JRYPARYJKZXBBN-XLIONFOSSA-N 1 0 400.498 2.765 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001164859134 720914546 /nfs/dbraw/zinc/91/45/46/720914546.db2.gz OZAVSSRIDUXKDV-UKPHBRMFSA-N 1 0 404.898 2.725 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncccc1OCc1ccccc1)CC2 ZINC001164753672 720962870 /nfs/dbraw/zinc/96/28/70/720962870.db2.gz HVAZTSQYTGIZNC-UHFFFAOYSA-N 1 0 421.501 2.503 20 0 HFADRO COCCOC(=O)c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164863973 721016625 /nfs/dbraw/zinc/01/66/25/721016625.db2.gz WDMOEDYEAZRMGD-INIZCTEOSA-N 1 0 401.511 2.503 20 0 HFADRO CCOC(=O)c1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164869069 721052906 /nfs/dbraw/zinc/05/29/06/721052906.db2.gz RHWBJPBBVITXTL-DLBZAZTESA-N 1 0 416.909 2.786 20 0 HFADRO c1ccc(COc2cncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867125 721062752 /nfs/dbraw/zinc/06/27/52/721062752.db2.gz IHCRXZYOEDFWRL-FCHUYYIVSA-N 1 0 417.513 2.930 20 0 HFADRO CC1(C)OCc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869984 721069729 /nfs/dbraw/zinc/06/97/29/721069729.db2.gz VBMQSTVLWWXUJI-CVEARBPZSA-N 1 0 415.925 2.770 20 0 HFADRO COC(=O)c1ccc2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164865560 721076261 /nfs/dbraw/zinc/07/62/61/721076261.db2.gz MVQYPCXSHCAOJI-RTWAWAEBSA-N 1 0 418.497 2.896 20 0 HFADRO CCOC(=O)c1cc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001164865512 721076939 /nfs/dbraw/zinc/07/69/39/721076939.db2.gz MDOBNKLTTTUDLB-RBUKOAKNSA-N 1 0 421.501 2.614 20 0 HFADRO COC(=O)c1ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001164863527 721079258 /nfs/dbraw/zinc/07/92/58/721079258.db2.gz CNZOYPXFVNVFGN-SFTDATJTSA-N 1 0 418.497 2.896 20 0 HFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867636 721094914 /nfs/dbraw/zinc/09/49/14/721094914.db2.gz YZBUSVUDPSWTJM-HUUCEWRRSA-N 1 0 409.868 2.737 20 0 HFADRO COc1ccc2nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c(Cl)nc2c1 ZINC001164770948 721112202 /nfs/dbraw/zinc/11/22/02/721112202.db2.gz RQCRQLNOLUEIEB-CVEARBPZSA-N 1 0 412.925 2.984 20 0 HFADRO Fc1ncccc1-c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864364 721116892 /nfs/dbraw/zinc/11/68/92/721116892.db2.gz FPBRMEXUAIUDOF-MSOLQXFVSA-N 1 0 406.465 2.552 20 0 HFADRO Nc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164879025 721133388 /nfs/dbraw/zinc/13/33/88/721133388.db2.gz RLCSTXVSHVRIAY-HZPDHXFCSA-N 1 0 409.868 2.737 20 0 HFADRO COC(=O)c1ccc2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164871105 721135145 /nfs/dbraw/zinc/13/51/45/721135145.db2.gz DRHYUMSDOHWOBO-FCHUYYIVSA-N 1 0 418.497 2.896 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164879821 721137503 /nfs/dbraw/zinc/13/75/03/721137503.db2.gz UHOBTLXOCTTXPL-VQTJNVASSA-N 1 0 402.502 2.722 20 0 HFADRO COc1cc2c(cc1Cl)ncnc2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164768981 721138071 /nfs/dbraw/zinc/13/80/71/721138071.db2.gz OOTFLMHHBBHPPL-HOTGVXAUSA-N 1 0 412.925 2.984 20 0 HFADRO CCOC(=O)c1cnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164773311 721139489 /nfs/dbraw/zinc/13/94/89/721139489.db2.gz YEQYYQNRTQXRFU-NVXWUHKLSA-N 1 0 403.914 2.604 20 0 HFADRO Fc1cccc(-c2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876459 721157637 /nfs/dbraw/zinc/15/76/37/721157637.db2.gz MNKKMEVTEWSMAJ-WOJBJXKFSA-N 1 0 406.465 2.552 20 0 HFADRO COc1cc2ccc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nc2cc1OC ZINC001164763458 721158961 /nfs/dbraw/zinc/15/89/61/721158961.db2.gz GBQPUVBUEDHUGR-RTBURBONSA-N 1 0 407.518 2.944 20 0 HFADRO COc1cccc(-c2ccnc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164773829 721166998 /nfs/dbraw/zinc/16/69/98/721166998.db2.gz XIVVKWLFHOQMST-WOJBJXKFSA-N 1 0 404.518 2.844 20 0 HFADRO COc1cccc(Oc2cncc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164765086 721169950 /nfs/dbraw/zinc/16/99/50/721169950.db2.gz HRIWUMAQJDNHTM-RBUKOAKNSA-N 1 0 420.517 2.969 20 0 HFADRO CCOC(=O)c1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1Cl ZINC001164761333 721179354 /nfs/dbraw/zinc/17/93/54/721179354.db2.gz APSJKAYDFQTELY-HZPDHXFCSA-N 1 0 403.914 2.604 20 0 HFADRO CSc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(SC)n1 ZINC001164869308 721188007 /nfs/dbraw/zinc/18/80/07/721188007.db2.gz QFSBUMNRRDXWGD-HOTGVXAUSA-N 1 0 403.577 2.795 20 0 HFADRO COc1cc(OC)c2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868747 721189519 /nfs/dbraw/zinc/18/95/19/721189519.db2.gz NOWDVFSZWSROHH-MJGOQNOKSA-N 1 0 421.501 2.522 20 0 HFADRO COc1cc(C)c2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867889 721198310 /nfs/dbraw/zinc/19/83/10/721198310.db2.gz IYMKVDJNZCUMTI-ICSRJNTNSA-N 1 0 405.502 2.822 20 0 HFADRO COc1ccccc1-c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncn1 ZINC001164762635 721210431 /nfs/dbraw/zinc/21/04/31/721210431.db2.gz DBTCDFITVPVJRV-RBUKOAKNSA-N 1 0 404.518 2.844 20 0 HFADRO COc1cc2nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c(OC)c1 ZINC001164768076 721234840 /nfs/dbraw/zinc/23/48/40/721234840.db2.gz XVZICBHFMKWMEA-MSOLQXFVSA-N 1 0 407.518 2.944 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3OCCN(c4cnccn4)[C@@H]3C2)nc1 ZINC001164769334 721266264 /nfs/dbraw/zinc/26/62/64/721266264.db2.gz XMUMXKINKFCRNG-NJDAHSKKSA-N 1 0 408.550 2.903 20 0 HFADRO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164872880 721284015 /nfs/dbraw/zinc/28/40/15/721284015.db2.gz HAHJOFJRDCSHTH-UHFFFAOYSA-N 1 0 419.957 2.532 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3c2ccc(C)nn2)nc1 ZINC001164775697 721313617 /nfs/dbraw/zinc/31/36/17/721313617.db2.gz ILJNWTQOCLTGQY-NJYVYQBISA-N 1 0 408.550 2.821 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892841 721397150 /nfs/dbraw/zinc/39/71/50/721397150.db2.gz TXRUSRMRYXABTR-JTSKRJEESA-N 1 0 404.986 2.989 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cnc4Cl)C3)O2)CC1 ZINC001164884000 721407261 /nfs/dbraw/zinc/40/72/61/721407261.db2.gz CUCRECPWUKMOAD-KDOFPFPSSA-N 1 0 400.354 2.549 20 0 HFADRO Cc1cc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2s1 ZINC001164889575 721428617 /nfs/dbraw/zinc/42/86/17/721428617.db2.gz BUILMXJXPHKTSK-UWJYYQICSA-N 1 0 401.580 2.765 20 0 HFADRO CCOc1cc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ncn1 ZINC001164790599 721467360 /nfs/dbraw/zinc/46/73/60/721467360.db2.gz RVDXFPCTYIWAGV-LJQANCHMSA-N 1 0 404.555 2.609 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(COC)cn1)CC2 ZINC001164790000 721467876 /nfs/dbraw/zinc/46/78/76/721467876.db2.gz PVVSQAILDQBJAG-OAQYLSRUSA-N 1 0 403.567 2.962 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(COC)cn1)CC2 ZINC001164789997 721468116 /nfs/dbraw/zinc/46/81/16/721468116.db2.gz PVVSQAILDQBJAG-NRFANRHFSA-N 1 0 403.567 2.962 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164796819 721501417 /nfs/dbraw/zinc/50/14/17/721501417.db2.gz ZDCHAWOPCMKGJJ-UHFFFAOYSA-N 1 0 416.529 2.904 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc4ccc(F)cc42)CC3)CC1 ZINC001164794135 721511115 /nfs/dbraw/zinc/51/11/15/721511115.db2.gz HBMBJAIHYUQJCY-UHFFFAOYSA-N 1 0 414.916 2.991 20 0 HFADRO Cc1cccc2c(Cl)nnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164794481 721513158 /nfs/dbraw/zinc/51/31/58/721513158.db2.gz QSCPMEKFDVDYJQ-UHFFFAOYSA-N 1 0 411.941 2.556 20 0 HFADRO Cc1ccc(F)c2cc(C)c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc12 ZINC001164796808 721515813 /nfs/dbraw/zinc/51/58/13/721515813.db2.gz CSNLRWVHKNAHPD-UHFFFAOYSA-N 1 0 408.525 2.955 20 0 HFADRO CCCCOc1cnc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c(Cl)c1 ZINC001164797795 721517552 /nfs/dbraw/zinc/51/75/52/721517552.db2.gz NLZOCLSDDWFXIN-UHFFFAOYSA-N 1 0 418.973 2.878 20 0 HFADRO COC(=O)c1cc(F)c(C)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909734 721534366 /nfs/dbraw/zinc/53/43/66/721534366.db2.gz RRZAGRBUQHEWNI-RDJZCZTQSA-N 1 0 403.429 2.797 20 0 HFADRO COc1cccc2c1ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164806166 721538136 /nfs/dbraw/zinc/53/81/36/721538136.db2.gz OFTAMZNJFOGMCT-DXIQSLLYSA-N 1 0 405.502 2.902 20 0 HFADRO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncc5ncnc(Cl)c5n4)CC[N@@H+]3C2)c1 ZINC001164910233 721545467 /nfs/dbraw/zinc/54/54/67/721545467.db2.gz TVTXTXYRQDWBPX-UKRRQHHQSA-N 1 0 400.845 2.554 20 0 HFADRO COc1ccc2c(c1)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810473 721553953 /nfs/dbraw/zinc/55/39/53/721553953.db2.gz YLELSKGWFQOGLQ-BHIFYINESA-N 1 0 405.502 2.902 20 0 HFADRO CN(C)C(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164907572 721556189 /nfs/dbraw/zinc/55/61/89/721556189.db2.gz OOTLUBPQIIWABX-AEFFLSMTSA-N 1 0 418.900 2.918 20 0 HFADRO NC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164904654 721557349 /nfs/dbraw/zinc/55/73/49/721557349.db2.gz FBIKUPNDWSYHSJ-MJGOQNOKSA-N 1 0 406.461 2.815 20 0 HFADRO CC1CCN(c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)CC1 ZINC001164802568 721579285 /nfs/dbraw/zinc/57/92/85/721579285.db2.gz GKAPZHDVXMKIKT-HFMPRLQTSA-N 1 0 422.577 2.976 20 0 HFADRO CON(C)C(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025321 721819594 /nfs/dbraw/zinc/81/95/94/721819594.db2.gz MHZIMMXQYSBJRN-YYWHXJBOSA-N 1 0 409.534 2.847 20 0 HFADRO CON(C)C(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165023015 721827643 /nfs/dbraw/zinc/82/76/43/721827643.db2.gz HEUJRZVEIWOAIQ-TYPHKJRUSA-N 1 0 409.534 2.847 20 0 HFADRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164921128 721836642 /nfs/dbraw/zinc/83/66/42/721836642.db2.gz BWKKSUMTVBUNPK-NZQKXSOJSA-N 1 0 408.550 2.732 20 0 HFADRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164921126 721836702 /nfs/dbraw/zinc/83/67/02/721836702.db2.gz BWKKSUMTVBUNPK-NFBKMPQASA-N 1 0 408.550 2.732 20 0 HFADRO CCNC(=O)c1cccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022622 721841963 /nfs/dbraw/zinc/84/19/63/721841963.db2.gz QKMJIENEQLDYFE-UHFFFAOYSA-N 1 0 412.534 2.949 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926957 721867244 /nfs/dbraw/zinc/86/72/44/721867244.db2.gz TWHYCOIMFYCJJR-SFTDATJTSA-N 1 0 408.525 2.833 20 0 HFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N(C)CC2CC[NH+](C)CC2)cc1 ZINC001165041142 721931312 /nfs/dbraw/zinc/93/13/12/721931312.db2.gz ZPNFZCBQAGSWLY-UHFFFAOYSA-N 1 0 413.547 2.755 20 0 HFADRO c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc(CN4CCOCC4)cn2)CC3)c1 ZINC001164953246 722013467 /nfs/dbraw/zinc/01/34/67/722013467.db2.gz CWSYKBLYRUSYDM-UHFFFAOYSA-N 1 0 407.562 2.801 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001164960849 722046126 /nfs/dbraw/zinc/04/61/26/722046126.db2.gz XXKOXLPBIUFZGC-MRXNPFEDSA-N 1 0 407.942 2.700 20 0 HFADRO CCOC(=O)Cc1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963970 722056069 /nfs/dbraw/zinc/05/60/69/722056069.db2.gz QBXMKCQFDYQOGP-UHFFFAOYSA-N 1 0 424.545 2.701 20 0 HFADRO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164963691 722064993 /nfs/dbraw/zinc/06/49/93/722064993.db2.gz BYRAHLGUKMKHGD-ZWKOTPCHSA-N 1 0 413.547 2.506 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977208 722100688 /nfs/dbraw/zinc/10/06/88/722100688.db2.gz FBCNYVLHVSKFNZ-HZPDHXFCSA-N 1 0 405.955 2.974 20 0 HFADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cnccc12 ZINC001164984365 722104412 /nfs/dbraw/zinc/10/44/12/722104412.db2.gz SUPKHEPUYFXPMQ-QFBILLFUSA-N 1 0 410.909 2.801 20 0 HFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980738 722104602 /nfs/dbraw/zinc/10/46/02/722104602.db2.gz KBVYDDJJDIFGSP-YLJYHZDGSA-N 1 0 414.481 2.520 20 0 HFADRO COC(=O)c1cc(Cl)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983356 722106004 /nfs/dbraw/zinc/10/60/04/722106004.db2.gz PQMPOTMKZQIIAY-LPHOPBHVSA-N 1 0 416.909 2.644 20 0 HFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976310 722108137 /nfs/dbraw/zinc/10/81/37/722108137.db2.gz LENXIFHATMFBTC-POAQFYNOSA-N 1 0 406.889 2.985 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001164981831 722108732 /nfs/dbraw/zinc/10/87/32/722108732.db2.gz VGFWTRAIIUSVPE-PZJWPPBQSA-N 1 0 410.518 2.689 20 0 HFADRO CCOc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981771 722123165 /nfs/dbraw/zinc/12/31/65/722123165.db2.gz VEHGVNZPKHSSCY-DLBZAZTESA-N 1 0 403.914 2.651 20 0 HFADRO CCOC(=O)/C=C/c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164978068 722129480 /nfs/dbraw/zinc/12/94/80/722129480.db2.gz JMXWMOPXQHTLFU-ALUHFNSBSA-N 1 0 422.529 2.780 20 0 HFADRO Fc1ncccc1-c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984238 722131837 /nfs/dbraw/zinc/13/18/37/722131837.db2.gz WPWHUGYTEOYFPR-WIYYLYMNSA-N 1 0 420.492 2.800 20 0 HFADRO Cc1noc(-c2cccnc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982217 722142109 /nfs/dbraw/zinc/14/21/09/722142109.db2.gz RKYVIPSFJWUWEF-AZUAARDMSA-N 1 0 406.490 2.562 20 0 HFADRO Fc1cccc(-c2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164978915 722145991 /nfs/dbraw/zinc/14/59/91/722145991.db2.gz KXLZWMIUPAATDG-FPOVZHCZSA-N 1 0 420.492 2.800 20 0 HFADRO c1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)nc1 ZINC001164983882 722148158 /nfs/dbraw/zinc/14/81/58/722148158.db2.gz VYKTVTDETINTRT-SIKLNZKXSA-N 1 0 402.502 2.661 20 0 HFADRO C[NH+]1CCN(c2ccc(N3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)nn2)CC1 ZINC001164975960 722163521 /nfs/dbraw/zinc/16/35/21/722163521.db2.gz ASCWMDMUIPVCBS-NZQKXSOJSA-N 1 0 415.582 2.563 20 0 HFADRO O=C(c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1)N1CCOCC1 ZINC001164995461 722193034 /nfs/dbraw/zinc/19/30/34/722193034.db2.gz UZWSSKXKZLHGQL-XMMPIXPASA-N 1 0 424.520 2.938 20 0 HFADRO O=C(Nc1cccnc1)c1noc2c1CN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001165001215 722248274 /nfs/dbraw/zinc/24/82/74/722248274.db2.gz ORSOZNRCSVDDFZ-UHFFFAOYSA-N 1 0 404.474 2.875 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc3c(n1)-c1ccccc1CC3)CCC2 ZINC001165002339 722255457 /nfs/dbraw/zinc/25/54/57/722255457.db2.gz NSUOESMDCKUXTF-UHFFFAOYSA-N 1 0 418.545 2.927 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(C3CCC3)nc3[nH]ccc31)CCC2 ZINC001165004609 722258242 /nfs/dbraw/zinc/25/82/42/722258242.db2.gz UEENTNRLWUFLRV-UHFFFAOYSA-N 1 0 409.538 2.910 20 0 HFADRO C[NH+]1CCN(c2ccc(N3CC[C@@H](OCC4CC4)[C@@H]3Cc3ccccc3)nn2)CC1 ZINC001165005929 722271218 /nfs/dbraw/zinc/27/12/18/722271218.db2.gz KMBDBFKQHYMDIQ-FCHUYYIVSA-N 1 0 407.562 2.845 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000792998888 1078044778 /nfs/dbraw/zinc/04/47/78/1078044778.db2.gz CZGQOQDIDAQGSW-UHFFFAOYSA-N 1 0 409.328 2.696 20 0 HFADRO COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000790501010 1078046105 /nfs/dbraw/zinc/04/61/05/1078046105.db2.gz DNBFGJNNINMEAO-IEBWSBKVSA-N 1 0 420.554 2.635 20 0 HFADRO COCCN1[C@H]2CC[N@@H+]([C@H]3CC[C@H](C)C3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001170139014 1078049304 /nfs/dbraw/zinc/04/93/04/1078049304.db2.gz TVGSIFWRMWJHFU-VJANTYMQSA-N 1 0 408.564 2.738 20 0 HFADRO CCOC1CC(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)(N2CCOCC2)C1 ZINC000790589923 1078062632 /nfs/dbraw/zinc/06/26/32/1078062632.db2.gz HEPSTDUPNORSRR-UHFFFAOYSA-N 1 0 418.969 2.944 20 0 HFADRO C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cn1 ZINC000793020908 1078058230 /nfs/dbraw/zinc/05/82/30/1078058230.db2.gz FAGQGLVEYMEWTJ-BBRMVZONSA-N 1 0 411.344 2.848 20 0 HFADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N(CCO)Cc1cccnc1Cl ZINC000793023185 1078058617 /nfs/dbraw/zinc/05/86/17/1078058617.db2.gz VYOFYBJGCLOHOB-LJQANCHMSA-N 1 0 402.926 2.904 20 0 HFADRO CCC[NH+]1CCC(NC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000793057745 1078068018 /nfs/dbraw/zinc/06/80/18/1078068018.db2.gz AECOJLGYMGBJNF-JOCHJYFZSA-N 1 0 402.539 2.961 20 0 HFADRO COCC1(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793059793 1078068991 /nfs/dbraw/zinc/06/89/91/1078068991.db2.gz QGJZERLRBVEDDE-MSOLQXFVSA-N 1 0 411.587 2.887 20 0 HFADRO Cc1cc(C)n2c(C[NH2+]Cc3ccc(N4C(=O)N[C@@](C)(C5CC5)C4=O)cc3)cnc2n1 ZINC000790611966 1078075461 /nfs/dbraw/zinc/07/54/61/1078075461.db2.gz ZNZOVSXIKCUGEQ-QHCPKHFHSA-N 1 0 418.501 2.861 20 0 HFADRO COC(=O)c1cn(CC[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)(C)C)nn1 ZINC000790615740 1078077249 /nfs/dbraw/zinc/07/72/49/1078077249.db2.gz YBIMTPFJZXVFPK-UHFFFAOYSA-N 1 0 416.913 2.991 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1nc(-c2cccc(Br)c2)no1 ZINC000790616676 1078077898 /nfs/dbraw/zinc/07/78/98/1078077898.db2.gz WDYLVZYBIINSPB-CQSZACIVSA-N 1 0 424.368 2.948 20 0 HFADRO C[C@H]1CCC[N@H+](CCNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790673516 1078087122 /nfs/dbraw/zinc/08/71/22/1078087122.db2.gz OYWJSZRXDQHCLY-ULQDDVLXSA-N 1 0 400.539 2.707 20 0 HFADRO C[C@H](NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000793146813 1078089833 /nfs/dbraw/zinc/08/98/33/1078089833.db2.gz BXYIMPCLEMMZBH-HTAPYJJXSA-N 1 0 400.523 2.737 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)NCCSCc2ccnc(Cl)c2)CC1 ZINC000793149535 1078090822 /nfs/dbraw/zinc/09/08/22/1078090822.db2.gz HMBVXUDCPHBEIO-UHFFFAOYSA-N 1 0 421.954 2.904 20 0 HFADRO COCC1(C[NH2+]Cc2ccc3c(c2)nnn3C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790653008 1078094167 /nfs/dbraw/zinc/09/41/67/1078094167.db2.gz OBAJASQXMZIHKF-UHFFFAOYSA-N 1 0 403.527 2.722 20 0 HFADRO CN1CCC([NH+]2CCC(NC(=O)N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)CC2)CC1 ZINC000790707647 1078102588 /nfs/dbraw/zinc/10/25/88/1078102588.db2.gz BLNMZUZONUJIOE-FUHWJXTLSA-N 1 0 403.398 2.770 20 0 HFADRO COCC1(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790770392 1078111025 /nfs/dbraw/zinc/11/10/25/1078111025.db2.gz QSTUMVVYLCPWJC-IAGOWNOFSA-N 1 0 424.586 2.575 20 0 HFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000790764408 1078113676 /nfs/dbraw/zinc/11/36/76/1078113676.db2.gz ZKKJAMHNGQAJDT-IKGGRYGDSA-N 1 0 400.539 2.850 20 0 HFADRO Cc1cc(C)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1I ZINC000793290811 1078119487 /nfs/dbraw/zinc/11/94/87/1078119487.db2.gz IAFWZSJQCQRUDK-KBPBESRZSA-N 1 0 414.287 2.501 20 0 HFADRO COCCn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793293722 1078120414 /nfs/dbraw/zinc/12/04/14/1078120414.db2.gz MIUNGVUBUMIVAD-UHFFFAOYSA-N 1 0 409.509 2.977 20 0 HFADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001691696283 1078122834 /nfs/dbraw/zinc/12/28/34/1078122834.db2.gz SVUKHZCXQCVXME-SVFBPWRDSA-N 1 0 418.630 2.964 20 0 HFADRO C[C@H](NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000790771653 1078129596 /nfs/dbraw/zinc/12/95/96/1078129596.db2.gz VNFQFZLVECQJFT-JYJNAYRXSA-N 1 0 402.555 2.952 20 0 HFADRO C[C@H](CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000790795941 1078136959 /nfs/dbraw/zinc/13/69/59/1078136959.db2.gz BIELOHGUUFGPSN-GOSISDBHSA-N 1 0 418.582 2.966 20 0 HFADRO CSC1(CNC(=O)COc2ccc(C=O)cc2Br)CC[NH+](C)CC1 ZINC000793356169 1078146280 /nfs/dbraw/zinc/14/62/80/1078146280.db2.gz ANAKSFSGULRIEH-UHFFFAOYSA-N 1 0 415.353 2.584 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000793379149 1078154066 /nfs/dbraw/zinc/15/40/66/1078154066.db2.gz FENFOPPLQDXCHF-CWKRKGSWSA-N 1 0 409.530 2.733 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000793352401 1078156983 /nfs/dbraw/zinc/15/69/83/1078156983.db2.gz MZJJALRKIZYYQA-HSZRJFAPSA-N 1 0 417.550 2.652 20 0 HFADRO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000793445082 1078173220 /nfs/dbraw/zinc/17/32/20/1078173220.db2.gz YWMAAUBOVSLMDF-IBGZPJMESA-N 1 0 419.566 2.931 20 0 HFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793416784 1078177042 /nfs/dbraw/zinc/17/70/42/1078177042.db2.gz IGCWQBFSLYFPSE-XUVXKRRUSA-N 1 0 410.518 2.521 20 0 HFADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793416781 1078177144 /nfs/dbraw/zinc/17/71/44/1078177144.db2.gz IGCWQBFSLYFPSE-UFYCRDLUSA-N 1 0 410.518 2.521 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000793514438 1078196693 /nfs/dbraw/zinc/19/66/93/1078196693.db2.gz CVAWFIOCISTDEO-QZTJIDSGSA-N 1 0 403.523 2.671 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000793492518 1078201178 /nfs/dbraw/zinc/20/11/78/1078201178.db2.gz VBKSYAPTFFMAPC-LBPRGKRZSA-N 1 0 404.552 2.593 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C[C@@H]1C ZINC000793550301 1078208020 /nfs/dbraw/zinc/20/80/20/1078208020.db2.gz AGSDKFIBQDQJFX-VRXWPRPYSA-N 1 0 424.545 2.910 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C[C@H]1C ZINC000793550294 1078208072 /nfs/dbraw/zinc/20/80/72/1078208072.db2.gz AGSDKFIBQDQJFX-RCOXNQKVSA-N 1 0 424.545 2.910 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000793534592 1078206052 /nfs/dbraw/zinc/20/60/52/1078206052.db2.gz QEKUQXSEXPGZBM-GFCCVEGCSA-N 1 0 405.536 2.926 20 0 HFADRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)c1cc(C)nn1C)CC2 ZINC000793543031 1078207084 /nfs/dbraw/zinc/20/70/84/1078207084.db2.gz YAKUSMQCQIZEDJ-INIZCTEOSA-N 1 0 400.523 2.761 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cs1 ZINC000793551475 1078208844 /nfs/dbraw/zinc/20/88/44/1078208844.db2.gz YRQZCVWRDJTVCU-HNNXBMFYSA-N 1 0 408.568 2.768 20 0 HFADRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C(=O)NCc1ccn(-c2ccccc2)n1 ZINC000793668897 1078246522 /nfs/dbraw/zinc/24/65/22/1078246522.db2.gz HFYZYYVDWXEVJZ-UHFFFAOYSA-N 1 0 423.561 2.651 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000793681954 1078252833 /nfs/dbraw/zinc/25/28/33/1078252833.db2.gz NWOXPSNSHPGKRX-VQTJNVASSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000793657249 1078259239 /nfs/dbraw/zinc/25/92/39/1078259239.db2.gz NJGIJLQLRAJWEI-HXUWFJFHSA-N 1 0 423.557 2.523 20 0 HFADRO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c2ccccc2O1 ZINC000793657856 1078259844 /nfs/dbraw/zinc/25/98/44/1078259844.db2.gz NFODGJHRHHWAGC-MAUKXSAKSA-N 1 0 403.523 2.988 20 0 HFADRO COC(=O)[C@H]1CC(=O)N(CN2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)C1 ZINC000793726642 1078268265 /nfs/dbraw/zinc/26/82/65/1078268265.db2.gz YFPRVGXKRIKAIW-VXKWHMMOSA-N 1 0 415.578 2.631 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Br)c(F)c1)[NH+]1CCCCC1 ZINC000793715261 1078262407 /nfs/dbraw/zinc/26/24/07/1078262407.db2.gz XFXPEMJKNLLNKH-ZDUSSCGKSA-N 1 0 414.319 2.537 20 0 HFADRO Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000793716229 1078263352 /nfs/dbraw/zinc/26/33/52/1078263352.db2.gz ZBGBBUOHZOREOM-ZWKOTPCHSA-N 1 0 420.985 2.582 20 0 HFADRO CCCN(C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000793726460 1078267602 /nfs/dbraw/zinc/26/76/02/1078267602.db2.gz RZNCGPWCUDVVRJ-RBUKOAKNSA-N 1 0 416.566 2.633 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000793692568 1078270095 /nfs/dbraw/zinc/27/00/95/1078270095.db2.gz ZWPTVXZYHJENSE-FQEVSTJZSA-N 1 0 423.557 2.941 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC001170436658 1078278163 /nfs/dbraw/zinc/27/81/63/1078278163.db2.gz JMAFXYWUVDVRNP-VGOFRKELSA-N 1 0 401.507 2.824 20 0 HFADRO CCN(Cc1cccc(Br)c1)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793699138 1078272705 /nfs/dbraw/zinc/27/27/05/1078272705.db2.gz MFZHNFRWWNWEPV-HNNXBMFYSA-N 1 0 410.356 2.788 20 0 HFADRO COCCN(Cc1ccc(C)cc1C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793738342 1078285663 /nfs/dbraw/zinc/28/56/63/1078285663.db2.gz PMXDKVLMPBZYOB-UHFFFAOYSA-N 1 0 403.567 2.658 20 0 HFADRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000793740834 1078287188 /nfs/dbraw/zinc/28/71/88/1078287188.db2.gz IDNYVRGUJQDDCX-FQEVSTJZSA-N 1 0 421.557 2.723 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@]4(CC[N@H+](C)C4)C3)c2ccc1Br ZINC000793750900 1078291037 /nfs/dbraw/zinc/29/10/37/1078291037.db2.gz ZGHBTTILPKIUSC-SFHVURJKSA-N 1 0 407.312 2.571 20 0 HFADRO CC[C@@H]1c2ccsc2CCN1C(=O)C(=O)NCc1cccnc1-n1ccnc1C ZINC000793807736 1078306284 /nfs/dbraw/zinc/30/62/84/1078306284.db2.gz IZTYMUAVWSIROG-QGZVFWFLSA-N 1 0 409.515 2.789 20 0 HFADRO C[C@@H](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000793805570 1078304355 /nfs/dbraw/zinc/30/43/55/1078304355.db2.gz RQIFLGHSCHOFFF-DZFGPLHGSA-N 1 0 424.545 2.959 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000793792519 1078298309 /nfs/dbraw/zinc/29/83/09/1078298309.db2.gz PIYUFKCKGXFTIJ-XQBPLPMBSA-N 1 0 409.530 2.515 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000793808998 1078306500 /nfs/dbraw/zinc/30/65/00/1078306500.db2.gz DFDPCDMVIVAVCS-QMHWCDLVSA-N 1 0 403.567 2.504 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793777063 1078308773 /nfs/dbraw/zinc/30/87/73/1078308773.db2.gz DCYGHTVEDOXQSB-FPOVZHCZSA-N 1 0 409.530 2.611 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000793777842 1078309079 /nfs/dbraw/zinc/30/90/79/1078309079.db2.gz HEDORUXGBAUMRG-ZJOUEHCJSA-N 1 0 409.530 2.830 20 0 HFADRO CCc1cc(CNC(=O)C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)[nH]n1 ZINC000793839363 1078310988 /nfs/dbraw/zinc/31/09/88/1078310988.db2.gz ZWDLMUGCHBGXNA-UHFFFAOYSA-N 1 0 411.550 2.669 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccccc2SCC(=O)N2CCCC2)C1 ZINC000793840914 1078311822 /nfs/dbraw/zinc/31/18/22/1078311822.db2.gz JWBLRAAFEATJBL-GOSISDBHSA-N 1 0 420.575 2.915 20 0 HFADRO C[N@H+](CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1)Cc1ccccc1 ZINC000793846628 1078313040 /nfs/dbraw/zinc/31/30/40/1078313040.db2.gz XTPJVHTYCYYCAR-QFIPXVFZSA-N 1 0 409.530 2.519 20 0 HFADRO C[C@H]1CCC[C@](CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)([NH+](C)C)C1 ZINC000793812318 1078314848 /nfs/dbraw/zinc/31/48/48/1078314848.db2.gz LCVQURWFVIVOCN-UUEIVBGNSA-N 1 0 415.578 2.560 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793814675 1078315830 /nfs/dbraw/zinc/31/58/30/1078315830.db2.gz MSMONIMNSHJQDP-LWYYNNOASA-N 1 0 422.614 2.697 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(C1)COCCN(CCOC)C2 ZINC001170438544 1078322572 /nfs/dbraw/zinc/32/25/72/1078322572.db2.gz TXJQREBOZIDUJR-NZQKXSOJSA-N 1 0 404.551 2.797 20 0 HFADRO COc1cc(CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)ccc1C ZINC000793867198 1078327988 /nfs/dbraw/zinc/32/79/88/1078327988.db2.gz IWEZLTGJLDEDDH-UHFFFAOYSA-N 1 0 401.551 2.781 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793905006 1078334157 /nfs/dbraw/zinc/33/41/57/1078334157.db2.gz ZCQXTOYEDCTNGF-DBXWQHBBSA-N 1 0 401.551 2.507 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000793909537 1078335096 /nfs/dbraw/zinc/33/50/96/1078335096.db2.gz HRZIAJAMOHGHSE-FCGDIQPGSA-N 1 0 419.566 2.567 20 0 HFADRO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2s1 ZINC000793913280 1078336497 /nfs/dbraw/zinc/33/64/97/1078336497.db2.gz QQFAFNLOTXTJLR-XUWVNRHRSA-N 1 0 402.564 2.956 20 0 HFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793915617 1078337082 /nfs/dbraw/zinc/33/70/82/1078337082.db2.gz ZQZSWBXDASEYQI-WEMPKCCASA-N 1 0 415.578 2.753 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000793948762 1078344602 /nfs/dbraw/zinc/34/46/02/1078344602.db2.gz LAHUWWWQCSIRFD-UXHICEINSA-N 1 0 407.599 2.526 20 0 HFADRO Cn1ccnc1[C@](O)(CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000747163631 1078349288 /nfs/dbraw/zinc/34/92/88/1078349288.db2.gz JRSPBLUEUTUJHC-FXAWDEMLSA-N 1 0 424.467 2.589 20 0 HFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793972319 1078349902 /nfs/dbraw/zinc/34/99/02/1078349902.db2.gz WBQDKJMSCIZMCQ-PCCBWWKXSA-N 1 0 422.529 2.711 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793978686 1078350863 /nfs/dbraw/zinc/35/08/63/1078350863.db2.gz BHUXSBXWQFQVSI-ZCNNSNEGSA-N 1 0 424.545 2.815 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793978684 1078350960 /nfs/dbraw/zinc/35/09/60/1078350960.db2.gz BHUXSBXWQFQVSI-HSALFYBXSA-N 1 0 424.545 2.815 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001170443035 1078372898 /nfs/dbraw/zinc/37/28/98/1078372898.db2.gz NAUYZZRIZHYFJF-WOIUINJBSA-N 1 0 410.518 2.754 20 0 HFADRO O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCC[N@H+]1CC=CCC1 ZINC000794117395 1078374206 /nfs/dbraw/zinc/37/42/06/1078374206.db2.gz DPYSNBRZFNTBCV-UHFFFAOYSA-N 1 0 405.498 2.903 20 0 HFADRO O=C(NCC[N@H+]1CC=CCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000794118004 1078374507 /nfs/dbraw/zinc/37/45/07/1078374507.db2.gz IVZUCXPFGWDGSC-UHFFFAOYSA-N 1 0 411.955 2.506 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccn2c(I)cnc12 ZINC000794210695 1078393873 /nfs/dbraw/zinc/39/38/73/1078393873.db2.gz VLXFHRTYCFAVCT-UHFFFAOYSA-N 1 0 424.286 2.686 20 0 HFADRO C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)c1ccc(N2CCCCC2=O)cc1 ZINC000794216974 1078394534 /nfs/dbraw/zinc/39/45/34/1078394534.db2.gz AJMNNDQUZKQOMM-SFHVURJKSA-N 1 0 421.545 2.841 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000794341883 1078420208 /nfs/dbraw/zinc/42/02/08/1078420208.db2.gz APCJIANIDDASFK-FUHWJXTLSA-N 1 0 418.538 2.774 20 0 HFADRO CS(=O)(=O)c1cc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)co1 ZINC001129406468 1078440146 /nfs/dbraw/zinc/44/01/46/1078440146.db2.gz BVFMZHJPZBBCKC-UHFFFAOYSA-N 1 0 402.516 2.811 20 0 HFADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C2=O ZINC001129395943 1078437812 /nfs/dbraw/zinc/43/78/12/1078437812.db2.gz WTGIHPGWKIMNTM-JPYJTQIMSA-N 1 0 418.582 2.744 20 0 HFADRO CSC1(CNC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+](C)CC1 ZINC001129413954 1078446231 /nfs/dbraw/zinc/44/62/31/1078446231.db2.gz YGRSDORLOWWIOL-LSDHHAIUSA-N 1 0 403.564 2.525 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3cc(F)ccc3F)cc2)CC1 ZINC000804396949 1078454073 /nfs/dbraw/zinc/45/40/73/1078454073.db2.gz QSVPTTHBYSUYST-UHFFFAOYSA-N 1 0 403.429 2.902 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001170448846 1078459980 /nfs/dbraw/zinc/45/99/80/1078459980.db2.gz DTPBLGKDYNNAHD-LJQANCHMSA-N 1 0 409.534 2.949 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000804429006 1078474489 /nfs/dbraw/zinc/47/44/89/1078474489.db2.gz ATXCNDLAOZDHOA-PBHICJAKSA-N 1 0 423.989 2.763 20 0 HFADRO C[C@@H](C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)n1cccn1 ZINC001129497768 1078487776 /nfs/dbraw/zinc/48/77/76/1078487776.db2.gz TUUCLBHRMMELOH-KRWDZBQOSA-N 1 0 401.942 2.911 20 0 HFADRO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000804656979 1078491231 /nfs/dbraw/zinc/49/12/31/1078491231.db2.gz LBKFDXBVGUEOBT-YFPIXMDGSA-N 1 0 403.523 2.720 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cc2)CC1 ZINC000804660191 1078497767 /nfs/dbraw/zinc/49/77/67/1078497767.db2.gz FYAAHTPPKJEADF-HXUWFJFHSA-N 1 0 402.539 2.521 20 0 HFADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC(C)(C)C[NH+](C)C)ccc2Cl)C1 ZINC001129488438 1078508439 /nfs/dbraw/zinc/50/84/39/1078508439.db2.gz SFOGVNHVFNDLCA-CQSZACIVSA-N 1 0 415.987 2.831 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000804442488 1078509266 /nfs/dbraw/zinc/50/92/66/1078509266.db2.gz DAZSHOXDIPBOFM-OYRHEFFESA-N 1 0 424.545 2.913 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CSC[C@@H]1CCCCO1 ZINC001129813851 1078511894 /nfs/dbraw/zinc/51/18/94/1078511894.db2.gz WFZRQQRLJKBERV-QHAWAJNXSA-N 1 0 406.592 2.942 20 0 HFADRO O=Cc1ccc(OCCC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804448538 1078516781 /nfs/dbraw/zinc/51/67/81/1078516781.db2.gz OMDRRMWXBLZJGS-HSZRJFAPSA-N 1 0 421.541 2.687 20 0 HFADRO COc1ccc(NC(=O)CC[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1Cl ZINC001170452314 1078520252 /nfs/dbraw/zinc/52/02/52/1078520252.db2.gz VKOQEDVQAQLCEV-LSDHHAIUSA-N 1 0 401.894 2.958 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccccc1 ZINC000804695262 1078536364 /nfs/dbraw/zinc/53/63/64/1078536364.db2.gz FQHIVUDBDXJGJT-XOYOTBSWSA-N 1 0 421.632 2.728 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC[C@](C)(O)c1ccccc1)c1ccccc1 ZINC000804696139 1078537649 /nfs/dbraw/zinc/53/76/49/1078537649.db2.gz GUXMYQYPYWDLIC-KOSHJBKYSA-N 1 0 411.546 2.646 20 0 HFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)c1ccccc1 ZINC000804697161 1078538919 /nfs/dbraw/zinc/53/89/19/1078538919.db2.gz WKPULSNDVWEYGG-KRWDZBQOSA-N 1 0 411.546 2.776 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)c1 ZINC001129548584 1078539400 /nfs/dbraw/zinc/53/94/00/1078539400.db2.gz RBIWSVSYBGTURW-JOCHJYFZSA-N 1 0 400.523 2.602 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCc1ccc(Cl)nc1)c1ccccc1 ZINC000804697872 1078540398 /nfs/dbraw/zinc/54/03/98/1078540398.db2.gz NLBDGHRAZPYHBG-OAHLLOKOSA-N 1 0 402.926 2.639 20 0 HFADRO CCOC(=O)c1nc([C@H]2CCC[NH2+]C2)n([C@H](CC)Cc2ccc3c(c2)OCO3)n1 ZINC001170454653 1078542311 /nfs/dbraw/zinc/54/23/11/1078542311.db2.gz CITJQNHVLOPJKS-JKSUJKDBSA-N 1 0 400.479 2.844 20 0 HFADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC001129570969 1078563880 /nfs/dbraw/zinc/56/38/80/1078563880.db2.gz CBCXBENIDKBJFX-NQIIRXRSSA-N 1 0 421.545 2.707 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000804523503 1078562514 /nfs/dbraw/zinc/56/25/14/1078562514.db2.gz UHONMPRKRULLCC-HUUCEWRRSA-N 1 0 408.568 2.909 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000804524866 1078564298 /nfs/dbraw/zinc/56/42/98/1078564298.db2.gz XISAPYIDIOIHBJ-YGPBLSMFSA-N 1 0 419.566 2.534 20 0 HFADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001129571752 1078564807 /nfs/dbraw/zinc/56/48/07/1078564807.db2.gz LQILVBDIZVUTCT-QZTJIDSGSA-N 1 0 414.550 2.840 20 0 HFADRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C2CC2)n1 ZINC001129871018 1078568338 /nfs/dbraw/zinc/56/83/38/1078568338.db2.gz DDLXNILXLDWJJS-UHFFFAOYSA-N 1 0 406.530 2.895 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@H]3Cc4ccc(Cl)cc43)cc2)CC1 ZINC001129871689 1078568737 /nfs/dbraw/zinc/56/87/37/1078568737.db2.gz HKTGQMCGJQFZTG-NRFANRHFSA-N 1 0 411.933 2.993 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1c1nc2ccccc2c(NCCO)n1)C(=O)OC(C)(C)C ZINC000804704013 1078570995 /nfs/dbraw/zinc/57/09/95/1078570995.db2.gz AZADQSXYQMXGGH-GJZGRUSLSA-N 1 0 419.501 2.818 20 0 HFADRO COc1ccc(Cn2ncc3cc(C(=O)N(C)C[C@H]4CCC[N@@H+]4C)cnc32)c(OC)c1 ZINC001129905222 1078576971 /nfs/dbraw/zinc/57/69/71/1078576971.db2.gz KHNNZCCEJZYYOX-LJQANCHMSA-N 1 0 423.517 2.663 20 0 HFADRO COc1ccc([C@@H](CC(=O)N(CC[NH+](C)C)Cc2ccsc2)NC(C)=O)cc1 ZINC001129585013 1078583629 /nfs/dbraw/zinc/58/36/29/1078583629.db2.gz MSENCBRGVJTEJH-HXUWFJFHSA-N 1 0 403.548 2.914 20 0 HFADRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000804535825 1078583718 /nfs/dbraw/zinc/58/37/18/1078583718.db2.gz XVANNFPHGVESMJ-UHFFFAOYSA-N 1 0 408.470 2.568 20 0 HFADRO CC(C)CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001129941367 1078603504 /nfs/dbraw/zinc/60/35/04/1078603504.db2.gz XQHRQPOXOODDQH-AFDCHOCNSA-N 1 0 403.571 2.509 20 0 HFADRO CN1C(=O)C[C@H](C(=O)NCc2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001129666647 1078626889 /nfs/dbraw/zinc/62/68/89/1078626889.db2.gz FFDRLGWYMHVJHL-HNAYVOBHSA-N 1 0 400.841 2.963 20 0 HFADRO COC[C@@]1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000804794061 1078627938 /nfs/dbraw/zinc/62/79/38/1078627938.db2.gz JYAXITLPLSFPNT-QFIPXVFZSA-N 1 0 405.539 2.894 20 0 HFADRO O=C(Nc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1)Nc1ccccc1 ZINC000747214716 1078634363 /nfs/dbraw/zinc/63/43/63/1078634363.db2.gz AQXRGNIPXRPLFN-HZPDHXFCSA-N 1 0 400.504 2.985 20 0 HFADRO CN(CCCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)C(=O)c1ccncc1 ZINC001129680363 1078644946 /nfs/dbraw/zinc/64/49/46/1078644946.db2.gz XVNMUFMDHBIRPS-UHFFFAOYSA-N 1 0 414.472 2.809 20 0 HFADRO C[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000804819471 1078660728 /nfs/dbraw/zinc/66/07/28/1078660728.db2.gz WCROTMRSJQAGPI-ZDUSSCGKSA-N 1 0 401.429 2.753 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC(=O)N(C(CC)CC)C1 ZINC001129967237 1078661193 /nfs/dbraw/zinc/66/11/93/1078661193.db2.gz LXXMYVIWFQKUIL-TUNNFDKTSA-N 1 0 415.578 2.677 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)Nc2cccc3c2CCNC3=O)c1-c1ccccc1 ZINC001129703321 1078662014 /nfs/dbraw/zinc/66/20/14/1078662014.db2.gz HSMTYPGMRKWETC-UHFFFAOYSA-N 1 0 403.486 2.650 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000804828728 1078667741 /nfs/dbraw/zinc/66/77/41/1078667741.db2.gz XTLXIVAWVORZLQ-VQTJNVASSA-N 1 0 414.594 2.872 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804833027 1078674327 /nfs/dbraw/zinc/67/43/27/1078674327.db2.gz CPNYQLYGWQHHQS-OAQYLSRUSA-N 1 0 422.573 2.739 20 0 HFADRO CC[C@](O)(C(=O)N1CCC([NH+](CCOC)CCOC)CC1)c1cccc(Cl)c1 ZINC000804627053 1078680136 /nfs/dbraw/zinc/68/01/36/1078680136.db2.gz AEHFBCRMNWLFCX-OAQYLSRUSA-N 1 0 412.958 2.523 20 0 HFADRO C[NH+](C)CCn1cc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cn1 ZINC000747217623 1078680445 /nfs/dbraw/zinc/68/04/45/1078680445.db2.gz GQFKKFZJWXBKIZ-UHFFFAOYSA-N 1 0 422.514 2.522 20 0 HFADRO COc1cccc(/C=C(/C(=O)N(C)CCC[N@H+](C)Cc2ccco2)n2nnnc2C)c1 ZINC000804869920 1078693465 /nfs/dbraw/zinc/69/34/65/1078693465.db2.gz INQOARXSPOUCTR-QNGOZBTKSA-N 1 0 424.505 2.562 20 0 HFADRO CCC[NH+]1CCC(NC(=O)NC[C@]2(COC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000804871724 1078694147 /nfs/dbraw/zinc/69/41/47/1078694147.db2.gz SBVQSNZLNZPWBY-NRFANRHFSA-N 1 0 412.575 2.576 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000804644162 1078698293 /nfs/dbraw/zinc/69/82/93/1078698293.db2.gz YGYVLXWEXUXJKJ-LRQRDZAKSA-N 1 0 410.518 2.816 20 0 HFADRO CC[C@H]1CC([NH2+]CCS(=O)(=O)N2CCCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170469486 1078718577 /nfs/dbraw/zinc/71/85/77/1078718577.db2.gz LHOYNIFPMKQHFV-ROUUACIJSA-N 1 0 417.616 2.958 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3ccnn3C3CCCC3)cc2)CC1 ZINC001129742884 1078716143 /nfs/dbraw/zinc/71/61/43/1078716143.db2.gz WIDMLRHFLRJTQY-UHFFFAOYSA-N 1 0 409.534 2.626 20 0 HFADRO C[C@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000804914249 1078736509 /nfs/dbraw/zinc/73/65/09/1078736509.db2.gz ZYUHEXARZWKMAA-OTJKEOIZSA-N 1 0 406.493 2.736 20 0 HFADRO O=C(NC[C@H]1CC1(Cl)Cl)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804941855 1078766431 /nfs/dbraw/zinc/76/64/31/1078766431.db2.gz FECNVXWQDROJHV-QZTJIDSGSA-N 1 0 411.377 2.782 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)CC1 ZINC000804943838 1078770158 /nfs/dbraw/zinc/77/01/58/1078770158.db2.gz JDPLDLARLUQEIZ-XMSQKQJNSA-N 1 0 421.541 2.838 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000804943241 1078770597 /nfs/dbraw/zinc/77/05/97/1078770597.db2.gz BDAMALPWJJVKEO-QGZVFWFLSA-N 1 0 412.534 2.682 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000804944626 1078771831 /nfs/dbraw/zinc/77/18/31/1078771831.db2.gz ZVIKCEGWWDCHOP-UYAOXDASSA-N 1 0 403.523 2.831 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000804944367 1078772184 /nfs/dbraw/zinc/77/21/84/1078772184.db2.gz XTACYLCAWCLZDX-IBGZPJMESA-N 1 0 408.546 2.814 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000804952089 1078779934 /nfs/dbraw/zinc/77/99/34/1078779934.db2.gz IJPQWOLDEAHNQP-RPWUZVMVSA-N 1 0 424.589 2.960 20 0 HFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000804944960 1078774397 /nfs/dbraw/zinc/77/43/97/1078774397.db2.gz LSYLKJSZOXEADN-AOMKIAJQSA-N 1 0 421.545 2.620 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000747224412 1078788410 /nfs/dbraw/zinc/78/84/10/1078788410.db2.gz QISUEEUFPABMPP-UHFFFAOYSA-N 1 0 417.579 2.965 20 0 HFADRO COC[C@]1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000804932414 1078788876 /nfs/dbraw/zinc/78/88/76/1078788876.db2.gz HWQXWFKFVXBMRH-JOCHJYFZSA-N 1 0 424.586 2.576 20 0 HFADRO C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000805104581 1078888321 /nfs/dbraw/zinc/88/83/21/1078888321.db2.gz XEBIWDKOZHRKBE-QXKUPLGCSA-N 1 0 406.493 2.594 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(F)cc1Cl ZINC000805111555 1078896004 /nfs/dbraw/zinc/89/60/04/1078896004.db2.gz YGRXYPNGRUQBNV-XHDPSFHLSA-N 1 0 404.891 2.513 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1Cl ZINC000805074760 1078906088 /nfs/dbraw/zinc/90/60/88/1078906088.db2.gz ORXHYFIWKMGXOZ-RTBURBONSA-N 1 0 406.958 2.597 20 0 HFADRO CC[C@@H]1CC([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170475362 1078917324 /nfs/dbraw/zinc/91/73/24/1078917324.db2.gz PEXBPMVOIVIGPK-DJIMGWMZSA-N 1 0 403.589 2.567 20 0 HFADRO O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000805131204 1078930520 /nfs/dbraw/zinc/93/05/20/1078930520.db2.gz GLOBVWHVEXAXQA-KBXCAEBGSA-N 1 0 415.456 2.539 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000805132924 1078930548 /nfs/dbraw/zinc/93/05/48/1078930548.db2.gz VFQHHVAADQAELH-WMZHIEFXSA-N 1 0 415.578 2.951 20 0 HFADRO COCCC[NH+]1CCC(NC(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 ZINC000805137778 1078934284 /nfs/dbraw/zinc/93/42/84/1078934284.db2.gz JBOWZTVCOFGPJD-JOCHJYFZSA-N 1 0 403.567 2.951 20 0 HFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137840 1078934422 /nfs/dbraw/zinc/93/44/22/1078934422.db2.gz JYFBDOSMBSWOSY-PGRDOPGGSA-N 1 0 424.586 2.530 20 0 HFADRO CO[C@@H]1C[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCCC2)N(C(=O)OCc2ccccc2)C1 ZINC001130106673 1078959747 /nfs/dbraw/zinc/95/97/47/1078959747.db2.gz WRVIOLJWGVCGQG-WOJBJXKFSA-N 1 0 417.550 2.745 20 0 HFADRO COc1cccc(NC(=O)COc2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2)c1 ZINC001130099049 1078949482 /nfs/dbraw/zinc/94/94/82/1078949482.db2.gz RGLRMYGAVHJNHA-IBGZPJMESA-N 1 0 411.502 2.879 20 0 HFADRO C[C@]1(CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000805199377 1078952671 /nfs/dbraw/zinc/95/26/71/1078952671.db2.gz ZAHJVUHNXHPXGT-GBXCKJPGSA-N 1 0 406.530 2.568 20 0 HFADRO O=C(COCc1ccccn1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000805168014 1078956489 /nfs/dbraw/zinc/95/64/89/1078956489.db2.gz LXXZSDXKMXEWSY-UHFFFAOYSA-N 1 0 417.513 2.954 20 0 HFADRO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184229 1078966012 /nfs/dbraw/zinc/96/60/12/1078966012.db2.gz LDPSLZRXUFWETQ-MJGOQNOKSA-N 1 0 402.539 2.914 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805184546 1078966030 /nfs/dbraw/zinc/96/60/30/1078966030.db2.gz RSINXHSWYZSASD-QMHWVQJVSA-N 1 0 406.493 2.594 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)no1 ZINC000805197541 1078970961 /nfs/dbraw/zinc/97/09/61/1078970961.db2.gz FWCLAWUPEQQOJK-NFBKMPQASA-N 1 0 410.518 2.817 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000747237686 1078998176 /nfs/dbraw/zinc/99/81/76/1078998176.db2.gz AIWYOAIBQHUGOI-JXMROGBWSA-N 1 0 418.515 2.751 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000805279504 1079006677 /nfs/dbraw/zinc/00/66/77/1079006677.db2.gz LGNBHWIZZHENMM-UHFFFAOYSA-N 1 0 401.960 2.714 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000805332878 1079022715 /nfs/dbraw/zinc/02/27/15/1079022715.db2.gz BWFBOFAIAJHFCX-BBRMVZONSA-N 1 0 404.312 2.729 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1F ZINC000805332381 1079023059 /nfs/dbraw/zinc/02/30/59/1079023059.db2.gz SRSAODAJGWDATB-YJBOKZPZSA-N 1 0 411.543 2.555 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1F ZINC000805311026 1079031894 /nfs/dbraw/zinc/03/18/94/1079031894.db2.gz RWBOBVDTASDUQG-HNNXBMFYSA-N 1 0 403.473 2.905 20 0 HFADRO C[C@]1(CNC(=O)NCCn2cc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000805437050 1079063744 /nfs/dbraw/zinc/06/37/44/1079063744.db2.gz HGCISXHCOFAGDQ-LJQANCHMSA-N 1 0 420.355 2.857 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000747241175 1079065221 /nfs/dbraw/zinc/06/52/21/1079065221.db2.gz XTGNWQPJWPQFPI-QGFLDLQWSA-N 1 0 414.527 2.988 20 0 HFADRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cccnc3Cl)ns2)cn1 ZINC001130206199 1079083999 /nfs/dbraw/zinc/08/39/99/1079083999.db2.gz JPRHULVDJHXMBT-GXTWGEPZSA-N 1 0 417.926 2.661 20 0 HFADRO C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)/C=C\c3ccc(F)cc3)cc2)CC1 ZINC000747249151 1079124924 /nfs/dbraw/zinc/12/49/24/1079124924.db2.gz XORINKOOHLKGRJ-GDNBJRDFSA-N 1 0 403.523 2.663 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCCOc2ccc(SC)cc2)CC1=O ZINC000805542175 1079130983 /nfs/dbraw/zinc/13/09/83/1079130983.db2.gz IGBMAGFGZZWRCD-SJORKVTESA-N 1 0 406.548 2.663 20 0 HFADRO CNC(=O)c1cncc(/C=C\C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001130257197 1079146190 /nfs/dbraw/zinc/14/61/90/1079146190.db2.gz MUCAZIMHHFPKIK-MZMPXXGTSA-N 1 0 406.530 2.966 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001130301197 1079192705 /nfs/dbraw/zinc/19/27/05/1079192705.db2.gz IUORDHOGNKMVKI-YXJHDRRASA-N 1 0 420.351 2.935 20 0 HFADRO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301327 1079192765 /nfs/dbraw/zinc/19/27/65/1079192765.db2.gz LJRHLYYSZOIXQR-PMACEKPBSA-N 1 0 419.591 2.963 20 0 HFADRO CCOC(=O)C(C)(C)CC(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000805662336 1079208471 /nfs/dbraw/zinc/20/84/71/1079208471.db2.gz UIIBVKNGDGDGCP-UHFFFAOYSA-N 1 0 418.534 2.552 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000805747843 1079229388 /nfs/dbraw/zinc/22/93/88/1079229388.db2.gz HVDDFTLPKBXBDB-PKOBYXMFSA-N 1 0 409.571 2.783 20 0 HFADRO CC(C)(C)C[C@H](O)CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000805727867 1079237728 /nfs/dbraw/zinc/23/77/28/1079237728.db2.gz VTQLLACGNXMJSV-GOSISDBHSA-N 1 0 408.564 2.904 20 0 HFADRO CCOc1cc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)ccc1OC ZINC000805744902 1079245057 /nfs/dbraw/zinc/24/50/57/1079245057.db2.gz YZXHWPUEWRFRJF-UHFFFAOYSA-N 1 0 417.550 2.623 20 0 HFADRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000805789625 1079255987 /nfs/dbraw/zinc/25/59/87/1079255987.db2.gz HFCUSVWXUOXRMR-HNNXBMFYSA-N 1 0 413.474 2.699 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCC(N)=O)cc1)C2 ZINC000805794611 1079258723 /nfs/dbraw/zinc/25/87/23/1079258723.db2.gz XONAMYJYUOUAEV-QFIPXVFZSA-N 1 0 403.523 2.774 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000805762215 1079264094 /nfs/dbraw/zinc/26/40/94/1079264094.db2.gz FOPGYKCRWWPVLJ-RTBURBONSA-N 1 0 402.539 2.957 20 0 HFADRO COC(=O)/C=C1\SCC(=O)N1CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000805832921 1079273280 /nfs/dbraw/zinc/27/32/80/1079273280.db2.gz NJHBDJVNYYWAPI-DZBQEORWSA-N 1 0 408.520 2.643 20 0 HFADRO C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001130393002 1079273364 /nfs/dbraw/zinc/27/33/64/1079273364.db2.gz DICQHXJZOFVJIZ-KOSHJBKYSA-N 1 0 407.514 2.971 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CC(F)(F)Br)CC1 ZINC000805835259 1079274408 /nfs/dbraw/zinc/27/44/08/1079274408.db2.gz LYEYZBZANCEVMY-UHFFFAOYSA-N 1 0 418.326 2.995 20 0 HFADRO COC(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)n1 ZINC000805763867 1079265525 /nfs/dbraw/zinc/26/55/25/1079265525.db2.gz RLTLTDHQDYNXKZ-OAHLLOKOSA-N 1 0 420.510 2.576 20 0 HFADRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1OC ZINC000805831438 1079300739 /nfs/dbraw/zinc/30/07/39/1079300739.db2.gz JIDFMCQBYDEIPB-CQSZACIVSA-N 1 0 406.504 2.705 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000805831157 1079301027 /nfs/dbraw/zinc/30/10/27/1079301027.db2.gz SYCWLIBYTOZRPO-GOSISDBHSA-N 1 0 402.539 2.771 20 0 HFADRO Cc1c(Cl)nc(N(C)C)nc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170491027 1079302156 /nfs/dbraw/zinc/30/21/56/1079302156.db2.gz ZDCCFNOMLFJGHR-QQFBHYJXSA-N 1 0 416.957 2.876 20 0 HFADRO CCN1C[C@@H](C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)OC1=O ZINC001170490734 1079317891 /nfs/dbraw/zinc/31/78/91/1079317891.db2.gz ODVSBBAECZVYOU-GDBMZVCRSA-N 1 0 414.287 2.996 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(Cl)cc1Cl ZINC000747276277 1079340250 /nfs/dbraw/zinc/34/02/50/1079340250.db2.gz FGTONUNPJVAWRM-YGRLFVJLSA-N 1 0 409.335 2.741 20 0 HFADRO CCOC(=O)Cc1ccncc1-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170496440 1079396140 /nfs/dbraw/zinc/39/61/40/1079396140.db2.gz RSBCCLZQYZLMBU-WWDZGPRUSA-N 1 0 410.518 2.559 20 0 HFADRO CC[C@@H]1CC([NH+]2CCN(c3ncncn3)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496318 1079396166 /nfs/dbraw/zinc/39/61/66/1079396166.db2.gz HIOBBCIVAZZFQZ-IAGOWNOFSA-N 1 0 404.559 2.950 20 0 HFADRO Cn1ncc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000806000898 1079396991 /nfs/dbraw/zinc/39/69/91/1079396991.db2.gz KUROCOYOFGZRRZ-RHSMWYFYSA-N 1 0 410.444 2.716 20 0 HFADRO CC[C@@H]1CC([NH+]2CCC3(CC2)NC(=O)NC3=O)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170497631 1079410747 /nfs/dbraw/zinc/41/07/47/1079410747.db2.gz SKLNVYKYLGPQSX-HUUCEWRRSA-N 1 0 408.543 2.617 20 0 HFADRO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000772846188 1079428997 /nfs/dbraw/zinc/42/89/97/1079428997.db2.gz MLYZSAWQGKSSEY-SZMVWBNQSA-N 1 0 423.579 2.765 20 0 HFADRO O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000747301080 1079434248 /nfs/dbraw/zinc/43/42/48/1079434248.db2.gz PEDNOHWIQHTRSM-KRWDZBQOSA-N 1 0 401.429 2.792 20 0 HFADRO CC(C)NC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130527145 1079436088 /nfs/dbraw/zinc/43/60/88/1079436088.db2.gz ACNLFLFFLKMBKD-GOTSBHOMSA-N 1 0 421.541 2.940 20 0 HFADRO C[C@H](Sc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCCC1 ZINC001130518239 1079449429 /nfs/dbraw/zinc/44/94/29/1079449429.db2.gz ISJUOQDEHSZFOW-QXAKKESOSA-N 1 0 416.591 2.931 20 0 HFADRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518222 1079449465 /nfs/dbraw/zinc/44/94/65/1079449465.db2.gz ILSABPOKXLRZIM-PMACEKPBSA-N 1 0 405.564 2.608 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cnn(C(C)C)c1I ZINC001130523567 1079458527 /nfs/dbraw/zinc/45/85/27/1079458527.db2.gz FFJONQOSMNHQLK-UHFFFAOYSA-N 1 0 406.312 2.776 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC001130523588 1079458584 /nfs/dbraw/zinc/45/85/84/1079458584.db2.gz FWBSAUDNNIUQKX-UHFFFAOYSA-N 1 0 423.604 2.850 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000806169663 1079459933 /nfs/dbraw/zinc/45/99/33/1079459933.db2.gz ISCAQOHPOWPQKT-SFHVURJKSA-N 1 0 417.554 2.961 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806144731 1079466115 /nfs/dbraw/zinc/46/61/15/1079466115.db2.gz TYYRJFANKHTKIT-INIZCTEOSA-N 1 0 408.930 2.829 20 0 HFADRO COCCOc1cccc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130529731 1079466293 /nfs/dbraw/zinc/46/62/93/1079466293.db2.gz YOLTXJXQMMEOAP-PKTZIBPZSA-N 1 0 410.514 2.827 20 0 HFADRO C[C@]1(CNC(=O)C(=O)N[C@H]2CSc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000806151830 1079468068 /nfs/dbraw/zinc/46/80/68/1079468068.db2.gz QZAWPNKGUGBNLG-WMZHIEFXSA-N 1 0 409.555 2.978 20 0 HFADRO COc1ccc(-c2csc3nc(C)nc(NCCN(C)CC[NH3+])c23)cc1OC ZINC001170499827 1079469179 /nfs/dbraw/zinc/46/91/79/1079469179.db2.gz WVGCCZHJGPKFOS-UHFFFAOYSA-N 1 0 401.536 2.986 20 0 HFADRO CC(C)[C@@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000806163871 1079473766 /nfs/dbraw/zinc/47/37/66/1079473766.db2.gz WIUDZXPTAJXLNK-DNVCBOLYSA-N 1 0 402.930 2.533 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3cc(C(F)F)ncn3)cc2)CC1 ZINC001130545097 1079476683 /nfs/dbraw/zinc/47/66/83/1079476683.db2.gz XZKQLRQCVOVDAT-UHFFFAOYSA-N 1 0 405.449 2.683 20 0 HFADRO Cc1cc(C(N)=O)ccc1NC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000806201196 1079489030 /nfs/dbraw/zinc/48/90/30/1079489030.db2.gz BXNDDLRIANIPKC-NRFANRHFSA-N 1 0 421.545 2.518 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cccn(CC(F)(F)F)c3=O)cc2)CC1 ZINC001170501291 1079498531 /nfs/dbraw/zinc/49/85/31/1079498531.db2.gz YELJUECPVABIQC-QQFBHYJXSA-N 1 0 422.451 2.782 20 0 HFADRO Cn1nc(C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)cc1C(F)F ZINC001130543699 1079499414 /nfs/dbraw/zinc/49/94/14/1079499414.db2.gz CTJUPQVXSGQAFZ-UHFFFAOYSA-N 1 0 407.465 2.626 20 0 HFADRO CCOC(=O)C1C(C[N@@H+]2C[C@@H](C)CC2(C)C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000746673558 1076747751 /nfs/dbraw/zinc/74/77/51/1076747751.db2.gz CZSVZYYPAPITQK-IFXJQAMLSA-N 1 0 401.507 2.987 20 0 HFADRO CCc1ccc(CN(C)C(=O)C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000746675002 1076748716 /nfs/dbraw/zinc/74/87/16/1076748716.db2.gz ZCAWTPHCQGZYLW-VWLOTQADSA-N 1 0 409.574 2.824 20 0 HFADRO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787313488 1076758914 /nfs/dbraw/zinc/75/89/14/1076758914.db2.gz ZLWZLEWABJBILU-WOJBJXKFSA-N 1 0 421.900 2.579 20 0 HFADRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787323731 1076766772 /nfs/dbraw/zinc/76/67/72/1076766772.db2.gz QEFVPMUKAFMYLR-INIZCTEOSA-N 1 0 407.559 2.794 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000787323194 1076766990 /nfs/dbraw/zinc/76/69/90/1076766990.db2.gz ARYNJTNROFFFOW-LNLFQRSKSA-N 1 0 424.586 2.527 20 0 HFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787393186 1076806158 /nfs/dbraw/zinc/80/61/58/1076806158.db2.gz GUXYVPXYHCASNF-HOTGVXAUSA-N 1 0 405.543 2.548 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000787450218 1076815975 /nfs/dbraw/zinc/81/59/75/1076815975.db2.gz BGKBQMTUHLWQEK-UHFFFAOYSA-N 1 0 409.962 2.991 20 0 HFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000787489693 1076823417 /nfs/dbraw/zinc/82/34/17/1076823417.db2.gz LZKIOSDWYWYQJS-UHFFFAOYSA-N 1 0 401.551 2.816 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C ZINC000787532643 1076851026 /nfs/dbraw/zinc/85/10/26/1076851026.db2.gz KTJUUVZIIBOSSV-PNLZDCPESA-N 1 0 411.587 2.885 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000787534938 1076851350 /nfs/dbraw/zinc/85/13/50/1076851350.db2.gz YTOOHTPNMKQCCC-UHFFFAOYSA-N 1 0 415.987 2.928 20 0 HFADRO CCN(c1ccc(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1)C(C)C ZINC000787555415 1076858637 /nfs/dbraw/zinc/85/86/37/1076858637.db2.gz GBSASYNRGXWZOM-UHFFFAOYSA-N 1 0 412.538 2.962 20 0 HFADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000787575542 1076869791 /nfs/dbraw/zinc/86/97/91/1076869791.db2.gz ZQGMPBLFXYZMCY-VWLOTQADSA-N 1 0 421.541 2.988 20 0 HFADRO [NH3+]CCN(c1cncc(OC(F)(F)F)c1)S(=O)(=O)c1cccc2cnccc21 ZINC001170074891 1076873469 /nfs/dbraw/zinc/87/34/69/1076873469.db2.gz MACYDHJJYGKEGD-UHFFFAOYSA-N 1 0 412.393 2.682 20 0 HFADRO COC(=O)/C=C\c1ccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc1 ZINC001170075589 1076877205 /nfs/dbraw/zinc/87/72/05/1076877205.db2.gz ANILQEZEXRCLCN-YFHOEESVSA-N 1 0 411.483 2.575 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ncc(C)c(OC)c1C)c1ccsc1 ZINC000787616135 1076879617 /nfs/dbraw/zinc/87/96/17/1076879617.db2.gz LHUAQWPEJDLISQ-SFHVURJKSA-N 1 0 418.563 2.584 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)c1ccsc1 ZINC000787618811 1076880904 /nfs/dbraw/zinc/88/09/04/1076880904.db2.gz ZBUYIHWSCHNVQK-INIZCTEOSA-N 1 0 408.955 2.954 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1cc(C)cc(Cl)n1)Cc1ccccc1 ZINC000787628086 1076883196 /nfs/dbraw/zinc/88/31/96/1076883196.db2.gz UCPMAWINBSGRIH-LJQANCHMSA-N 1 0 416.953 2.729 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)C3(c4ccccc4)CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC000787631246 1076883898 /nfs/dbraw/zinc/88/38/98/1076883898.db2.gz MDAITDLFVFFPAD-KDURUIRLSA-N 1 0 413.562 2.975 20 0 HFADRO CC[C@@H](CNC(=O)C(=O)NCc1ccccc1N(C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000787634007 1076885542 /nfs/dbraw/zinc/88/55/42/1076885542.db2.gz XWNZLANYKSKQDT-QFIPXVFZSA-N 1 0 422.573 2.712 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000787668362 1076904930 /nfs/dbraw/zinc/90/49/30/1076904930.db2.gz FMFITEBBTDCOQX-HKUYNNGSSA-N 1 0 409.571 2.878 20 0 HFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672463 1076906317 /nfs/dbraw/zinc/90/63/17/1076906317.db2.gz SMFIAOOYACXHSG-DOTOQJQBSA-N 1 0 411.468 2.869 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000787689616 1076913474 /nfs/dbraw/zinc/91/34/74/1076913474.db2.gz RQEVJPCJIKCYLI-UHFFFAOYSA-N 1 0 404.511 2.920 20 0 HFADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc(N4CCNC4=O)ccc3C)CC2)c1 ZINC000787701000 1076917911 /nfs/dbraw/zinc/91/79/11/1076917911.db2.gz RWBMUDSCVSJKJS-UHFFFAOYSA-N 1 0 421.545 2.984 20 0 HFADRO C[C@H](NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nc2ccccc2s1 ZINC000787708155 1076920807 /nfs/dbraw/zinc/92/08/07/1076920807.db2.gz RZDFWEJWLCQWPC-XHSDSOJGSA-N 1 0 402.564 2.958 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)C1 ZINC000787710052 1076921718 /nfs/dbraw/zinc/92/17/18/1076921718.db2.gz ZPHSOUXREWXAHL-ZSYWTGECSA-N 1 0 421.607 2.647 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000787710649 1076922641 /nfs/dbraw/zinc/92/26/41/1076922641.db2.gz MUVOAMUHJZPLGW-UWJYYQICSA-N 1 0 423.579 2.703 20 0 HFADRO Cc1occc1C(=O)NC1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787716324 1076924056 /nfs/dbraw/zinc/92/40/56/1076924056.db2.gz HDKHWNYTNAYEIJ-GCJKJVERSA-N 1 0 421.538 2.543 20 0 HFADRO Cc1occc1C(=O)NC1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787716328 1076924111 /nfs/dbraw/zinc/92/41/11/1076924111.db2.gz HDKHWNYTNAYEIJ-XMSQKQJNSA-N 1 0 421.538 2.543 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCC(c3nnc4ccccn43)CC2)C1 ZINC000787718715 1076925212 /nfs/dbraw/zinc/92/52/12/1076925212.db2.gz SYSTZIMBFOVXSN-JTSKRJEESA-N 1 0 415.538 2.669 20 0 HFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000787751930 1076927015 /nfs/dbraw/zinc/92/70/15/1076927015.db2.gz QTTXTPBRDDJRPY-UZLBHIALSA-N 1 0 421.969 2.603 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000787752651 1076927765 /nfs/dbraw/zinc/92/77/65/1076927765.db2.gz ZJWIVUNAMJOVPN-PKOBYXMFSA-N 1 0 414.506 2.903 20 0 HFADRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000787761246 1076929912 /nfs/dbraw/zinc/92/99/12/1076929912.db2.gz SBLQIJCNWWZUFA-LEWJYISDSA-N 1 0 411.933 2.877 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C2CC2)C1 ZINC000787763002 1076930500 /nfs/dbraw/zinc/93/05/00/1076930500.db2.gz TUYREMFANSWLNX-PVAVHDDUSA-N 1 0 421.504 2.875 20 0 HFADRO O=C(NCCSC(F)(F)F)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787736546 1076936431 /nfs/dbraw/zinc/93/64/31/1076936431.db2.gz LGKRWMXGUUWTJN-OAHLLOKOSA-N 1 0 403.470 2.699 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787739943 1076937487 /nfs/dbraw/zinc/93/74/87/1076937487.db2.gz VOMLNJVHLZDUNB-OAQYLSRUSA-N 1 0 412.534 2.684 20 0 HFADRO COC(=O)[C@H]1[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)C1(F)F ZINC000787776142 1076943140 /nfs/dbraw/zinc/94/31/40/1076943140.db2.gz NEPODUAZBYTFDH-BXUZGUMPSA-N 1 0 405.239 2.730 20 0 HFADRO COC(=O)[C@@H]1[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)C1(F)F ZINC000787776156 1076943151 /nfs/dbraw/zinc/94/31/51/1076943151.db2.gz NEPODUAZBYTFDH-FZMZJTMJSA-N 1 0 405.239 2.730 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000787913631 1076992660 /nfs/dbraw/zinc/99/26/60/1076992660.db2.gz WVNQQFMUVZMEBF-FPOVZHCZSA-N 1 0 403.567 2.505 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000787915998 1076994574 /nfs/dbraw/zinc/99/45/74/1076994574.db2.gz UVAAFTIXUOYDGG-NHCUHLMSSA-N 1 0 414.594 2.518 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000746715465 1077002785 /nfs/dbraw/zinc/00/27/85/1077002785.db2.gz BJXSWCHIBLTJGO-HNNXBMFYSA-N 1 0 419.494 2.648 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cccc(CN3CCOC3=O)c2)C1 ZINC000746718154 1077012903 /nfs/dbraw/zinc/01/29/03/1077012903.db2.gz NXCIEDKXUZPKHQ-LJQANCHMSA-N 1 0 404.511 2.603 20 0 HFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000787995978 1077023067 /nfs/dbraw/zinc/02/30/67/1077023067.db2.gz PFIGDOWCBGOJKB-PKOBYXMFSA-N 1 0 408.502 2.690 20 0 HFADRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787997063 1077023295 /nfs/dbraw/zinc/02/32/95/1077023295.db2.gz WNWZHGSRUWQPHW-FUHWJXTLSA-N 1 0 412.465 2.521 20 0 HFADRO CC(C)(C)OC(=O)NC1(CO)CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000788003458 1077025402 /nfs/dbraw/zinc/02/54/02/1077025402.db2.gz GINKDQRWLLYMAL-UHFFFAOYSA-N 1 0 408.495 2.536 20 0 HFADRO CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCCC[NH+]1CCCC1 ZINC000787988636 1077033770 /nfs/dbraw/zinc/03/37/70/1077033770.db2.gz LAVZRPPYFYUTBV-HSZRJFAPSA-N 1 0 413.518 2.651 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC/C=C/CNC(=O)OC(C)(C)C ZINC000788035415 1077035630 /nfs/dbraw/zinc/03/56/30/1077035630.db2.gz SRGFNDFKPDXOLG-GXLYXMFMSA-N 1 0 402.539 2.887 20 0 HFADRO CC(C)C[NH+]1CCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)CC1 ZINC000788041314 1077037887 /nfs/dbraw/zinc/03/78/87/1077037887.db2.gz QXZKFZNXFYZPPJ-UHFFFAOYSA-N 1 0 414.731 2.863 20 0 HFADRO COc1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cnc1Br ZINC000788229866 1077083874 /nfs/dbraw/zinc/08/38/74/1077083874.db2.gz SLTGSHJLSHMYEI-UHFFFAOYSA-N 1 0 412.328 2.570 20 0 HFADRO COc1cc(C(=O)NCc2ccccc2OCC[NH+](C)C)cnc1Br ZINC000788189460 1077084088 /nfs/dbraw/zinc/08/40/88/1077084088.db2.gz UQWGUFQHFWSXOZ-UHFFFAOYSA-N 1 0 408.296 2.723 20 0 HFADRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000788244782 1077085813 /nfs/dbraw/zinc/08/58/13/1077085813.db2.gz ITWWRGWNNIJSMF-ZWKOTPCHSA-N 1 0 411.568 2.910 20 0 HFADRO CCCNC(=O)CN1CCC([NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788250903 1077086877 /nfs/dbraw/zinc/08/68/77/1077086877.db2.gz XSAPHMSDEBJESR-RBUKOAKNSA-N 1 0 410.603 2.793 20 0 HFADRO CCNC(=O)N1CC[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000788257889 1077087957 /nfs/dbraw/zinc/08/79/57/1077087957.db2.gz OSFXADJKFQJPQD-YTQUADARSA-N 1 0 404.555 2.904 20 0 HFADRO COc1cccc([C@@H](O)CNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC000788303371 1077092657 /nfs/dbraw/zinc/09/26/57/1077092657.db2.gz SQHCXGKNVSEKAS-NRFANRHFSA-N 1 0 408.502 2.584 20 0 HFADRO C[NH+](C)[C@H](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccccc1 ZINC000788267531 1077093572 /nfs/dbraw/zinc/09/35/72/1077093572.db2.gz UQTUVXGMJNTFMR-AUSIDOKSSA-N 1 0 408.502 2.654 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cn1 ZINC000746740299 1077099224 /nfs/dbraw/zinc/09/92/24/1077099224.db2.gz FDTZJXMLVCLQOY-UHFFFAOYSA-N 1 0 412.537 2.558 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000788341057 1077109411 /nfs/dbraw/zinc/10/94/11/1077109411.db2.gz NGSQQOVISWVVOR-OALUTQOASA-N 1 0 416.566 2.573 20 0 HFADRO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788436890 1077146200 /nfs/dbraw/zinc/14/62/00/1077146200.db2.gz OPPQZVSWYDFAQO-CVEARBPZSA-N 1 0 400.527 2.904 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)C2CC2)C1 ZINC000788439797 1077147303 /nfs/dbraw/zinc/14/73/03/1077147303.db2.gz YOZROEYNSSNCJW-HSALFYBXSA-N 1 0 421.582 2.782 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)C2CC2)C1 ZINC000788439800 1077147413 /nfs/dbraw/zinc/14/74/13/1077147413.db2.gz YOZROEYNSSNCJW-SLFFLAALSA-N 1 0 421.582 2.782 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000788439329 1077147693 /nfs/dbraw/zinc/14/76/93/1077147693.db2.gz WQWIXPVVQOITLU-WZGPROSRSA-N 1 0 409.571 2.685 20 0 HFADRO COc1cc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cnc1Br ZINC000788451211 1077163455 /nfs/dbraw/zinc/16/34/55/1077163455.db2.gz SKAUJHJWOBYYSK-UHFFFAOYSA-N 1 0 408.300 2.877 20 0 HFADRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)c1 ZINC000788464060 1077168031 /nfs/dbraw/zinc/16/80/31/1077168031.db2.gz MNBPIIOTJPWBSM-JOCHJYFZSA-N 1 0 409.530 2.649 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(COC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000772719820 1077171111 /nfs/dbraw/zinc/17/11/11/1077171111.db2.gz WHULLYRROWKARO-UHFFFAOYSA-N 1 0 420.531 2.875 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCCn2cnc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788503327 1077184511 /nfs/dbraw/zinc/18/45/11/1077184511.db2.gz NBPIYUPMQWSMJZ-HKUYNNGSSA-N 1 0 416.522 2.957 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000788509714 1077186686 /nfs/dbraw/zinc/18/66/86/1077186686.db2.gz YWIKDWWKLNFBIT-SJORKVTESA-N 1 0 422.570 2.866 20 0 HFADRO O=C(CC1CCC2(CC1)OCCO2)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000788514269 1077187713 /nfs/dbraw/zinc/18/77/13/1077187713.db2.gz XEVCUBXSTNEACX-UHFFFAOYSA-N 1 0 402.535 2.583 20 0 HFADRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NCCSC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000788546843 1077196488 /nfs/dbraw/zinc/19/64/88/1077196488.db2.gz MBUYENWLLWNKMY-GDBMZVCRSA-N 1 0 417.497 2.773 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000788549616 1077197457 /nfs/dbraw/zinc/19/74/57/1077197457.db2.gz XNWQRGIKJSWMNX-UHFFFAOYSA-N 1 0 413.559 2.851 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000788589301 1077214244 /nfs/dbraw/zinc/21/42/44/1077214244.db2.gz PQAGUYQRFCSBHB-CYBMUJFWSA-N 1 0 402.333 2.846 20 0 HFADRO CC[C@H](CNS(=O)(=O)CCc1ccc(OC)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000788595309 1077216467 /nfs/dbraw/zinc/21/64/67/1077216467.db2.gz BTHCXAXBZJCHSY-OAQYLSRUSA-N 1 0 402.560 2.994 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]C[C@](C)(O)C(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788594524 1077216685 /nfs/dbraw/zinc/21/66/85/1077216685.db2.gz VWTPBSGEJYUXHA-JXFKEZNVSA-N 1 0 400.560 2.952 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788594527 1077216738 /nfs/dbraw/zinc/21/67/38/1077216738.db2.gz VWTPBSGEJYUXHA-UZLBHIALSA-N 1 0 400.560 2.952 20 0 HFADRO C[C@H]1OCC[C@@]1(O)CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000788595901 1077217287 /nfs/dbraw/zinc/21/72/87/1077217287.db2.gz HLHUZBCDTQLIOQ-VGOFRKELSA-N 1 0 418.538 2.553 20 0 HFADRO Cc1ccc(S(=O)(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(Cl)n1 ZINC000788596724 1077217875 /nfs/dbraw/zinc/21/78/75/1077217875.db2.gz PKNWSLZJOIEXGO-UHFFFAOYSA-N 1 0 422.982 2.530 20 0 HFADRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788600164 1077219283 /nfs/dbraw/zinc/21/92/83/1077219283.db2.gz HBDMWYRKUWCEHZ-UHFFFAOYSA-N 1 0 408.973 2.991 20 0 HFADRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600900 1077219622 /nfs/dbraw/zinc/21/96/22/1077219622.db2.gz FKUKWFVKBRHOIG-DZFGPLHGSA-N 1 0 403.567 2.714 20 0 HFADRO C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788602902 1077220188 /nfs/dbraw/zinc/22/01/88/1077220188.db2.gz DECZXSNCTUTDIS-GOSISDBHSA-N 1 0 422.614 2.556 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000788646364 1077223667 /nfs/dbraw/zinc/22/36/67/1077223667.db2.gz VXLZJDXYKQXNPK-WOJBJXKFSA-N 1 0 424.545 2.957 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c(C)c1Cl ZINC000788649691 1077225627 /nfs/dbraw/zinc/22/56/27/1077225627.db2.gz LWVHBSSHLWEPAE-UHFFFAOYSA-N 1 0 408.973 2.991 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)c1Cl ZINC000788651606 1077226740 /nfs/dbraw/zinc/22/67/40/1077226740.db2.gz JLJVVBZELOBGNM-NEPJUHHUSA-N 1 0 406.957 2.601 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)n1 ZINC000788617052 1077229490 /nfs/dbraw/zinc/22/94/90/1077229490.db2.gz CSGPZLSFZCWAHZ-UHFFFAOYSA-N 1 0 406.918 2.816 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H](O)c3cccc(F)c3)cc2)CC1 ZINC000790927159 1077235311 /nfs/dbraw/zinc/23/53/11/1077235311.db2.gz RAZUWXLNCPAHSM-OAQYLSRUSA-N 1 0 401.482 2.832 20 0 HFADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)C3CN(C(=O)OC(C)(C)C)C3)c2cc1C ZINC000788641307 1077243454 /nfs/dbraw/zinc/24/34/54/1077243454.db2.gz CUXBVCWSTKBGIO-SJLPKXTDSA-N 1 0 402.539 2.859 20 0 HFADRO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)c2cc1C ZINC000788641306 1077243545 /nfs/dbraw/zinc/24/35/45/1077243545.db2.gz CUXBVCWSTKBGIO-FUHWJXTLSA-N 1 0 402.539 2.859 20 0 HFADRO COc1ccc(CN2CC[C@H]([NH2+]C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)C2=O)cc1 ZINC000788641337 1077243570 /nfs/dbraw/zinc/24/35/70/1077243570.db2.gz DCSLUYPQLFZMGJ-IBGZPJMESA-N 1 0 415.534 2.785 20 0 HFADRO C[NH+](C)C1(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CCCC1 ZINC000788640932 1077243856 /nfs/dbraw/zinc/24/38/56/1077243856.db2.gz IBCRPPGQTMJUOC-RTBURBONSA-N 1 0 410.518 2.569 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788641013 1077243862 /nfs/dbraw/zinc/24/38/62/1077243862.db2.gz VBQLFMNZMFLNDS-DLBZAZTESA-N 1 0 414.449 2.874 20 0 HFADRO O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788643191 1077244705 /nfs/dbraw/zinc/24/47/05/1077244705.db2.gz OETKIJNLYGOANF-FUHWJXTLSA-N 1 0 421.950 2.969 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788676419 1077246064 /nfs/dbraw/zinc/24/60/64/1077246064.db2.gz UCYLRUNVHDCVNP-MAUKXSAKSA-N 1 0 411.568 2.672 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000788687656 1077251514 /nfs/dbraw/zinc/25/15/14/1077251514.db2.gz RNNMCEANRBULBC-IUODEOHRSA-N 1 0 414.344 2.892 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000788687654 1077251527 /nfs/dbraw/zinc/25/15/27/1077251527.db2.gz RNNMCEANRBULBC-DOMZBBRYSA-N 1 0 414.344 2.892 20 0 HFADRO CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788691605 1077252996 /nfs/dbraw/zinc/25/29/96/1077252996.db2.gz ZDDYLGXSCFSTLR-SFTDATJTSA-N 1 0 412.509 2.871 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)Cn2cccn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788653827 1077253894 /nfs/dbraw/zinc/25/38/94/1077253894.db2.gz ZAAGUYPRXFVRHK-IRXDYDNUSA-N 1 0 408.543 2.830 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788662384 1077257645 /nfs/dbraw/zinc/25/76/45/1077257645.db2.gz CUKITOQLRIWYAN-HNONPPJISA-N 1 0 410.486 2.778 20 0 HFADRO COc1cc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)ccc1OCC(=O)NC(C)C ZINC001170146560 1077260491 /nfs/dbraw/zinc/26/04/91/1077260491.db2.gz RIBUQOHZTDZLIK-UHFFFAOYSA-N 1 0 417.550 2.689 20 0 HFADRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1)CC2 ZINC000788668764 1077260943 /nfs/dbraw/zinc/26/09/43/1077260943.db2.gz LTJZNKLCRJGABW-KURKYZTESA-N 1 0 419.570 2.897 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H](C)[C@@H](O)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788670288 1077261598 /nfs/dbraw/zinc/26/15/98/1077261598.db2.gz IOUXWLSDMKTDFW-YSHGAJCASA-N 1 0 406.523 2.509 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccccc2-n2cccn2)CCN1C(=O)OC(C)(C)C ZINC000788671706 1077262438 /nfs/dbraw/zinc/26/24/38/1077262438.db2.gz NHSOYQRHDFXHKA-IEBWSBKVSA-N 1 0 414.506 2.903 20 0 HFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(N(C)CCOC)nc1 ZINC000790971854 1077267996 /nfs/dbraw/zinc/26/79/96/1077267996.db2.gz WUKFQNRDKKEVCC-UHFFFAOYSA-N 1 0 413.566 2.927 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000788719176 1077270628 /nfs/dbraw/zinc/27/06/28/1077270628.db2.gz PDEQWTLECQRPBD-QWQRMKEZSA-N 1 0 420.476 2.795 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)CCN1C(=O)OC(C)(C)C ZINC000788754139 1077277290 /nfs/dbraw/zinc/27/72/90/1077277290.db2.gz OTBDBBNLQYPFBR-ZWKOTPCHSA-N 1 0 406.523 2.945 20 0 HFADRO CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000791034917 1077278139 /nfs/dbraw/zinc/27/81/39/1077278139.db2.gz MIFICWWRGGQMPC-UHFFFAOYSA-N 1 0 423.473 2.841 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000788762407 1077279762 /nfs/dbraw/zinc/27/97/62/1077279762.db2.gz GQLWZRFPGVVPSR-ZNMIVQPWSA-N 1 0 414.344 2.846 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000791058730 1077285364 /nfs/dbraw/zinc/28/53/64/1077285364.db2.gz FIFQIAXBGRETMV-MAUKXSAKSA-N 1 0 419.570 2.984 20 0 HFADRO CC[NH+]1CCN(CCNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000791129026 1077296797 /nfs/dbraw/zinc/29/67/97/1077296797.db2.gz IJQYERCTESIXTB-UHFFFAOYSA-N 1 0 404.555 2.720 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CCC(=O)NCC(=O)c1ccccc1 ZINC000796653234 1077300049 /nfs/dbraw/zinc/30/00/49/1077300049.db2.gz GGKAHBWVXVOKIQ-CBGDNZLLSA-N 1 0 417.550 2.999 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc4oc(=O)[nH]c(=O)c4c3)nc3ccc(C)cc3n12 ZINC001170149450 1077314714 /nfs/dbraw/zinc/31/47/14/1077314714.db2.gz OPCFLEWFBAEPRL-UHFFFAOYSA-N 1 0 416.441 2.803 20 0 HFADRO COCCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000788842298 1077317187 /nfs/dbraw/zinc/31/71/87/1077317187.db2.gz QBEJVNIYYKFFBQ-UHFFFAOYSA-N 1 0 419.566 2.673 20 0 HFADRO CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000788843447 1077317310 /nfs/dbraw/zinc/31/73/10/1077317310.db2.gz SJZYTTFPEYCJMY-UHFFFAOYSA-N 1 0 417.531 2.724 20 0 HFADRO C[N@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@H](CCO)c1ccccc1 ZINC000788847048 1077318387 /nfs/dbraw/zinc/31/83/87/1077318387.db2.gz PDRCRONXIGCOFV-UYAOXDASSA-N 1 0 419.566 2.805 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC[N@@H+]1C ZINC000791196733 1077320590 /nfs/dbraw/zinc/32/05/90/1077320590.db2.gz UNJOHTRDJWYMTI-NGIQAFILSA-N 1 0 405.495 2.709 20 0 HFADRO Cc1c(Cl)c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)sc1S(N)(=O)=O ZINC000791199220 1077321770 /nfs/dbraw/zinc/32/17/70/1077321770.db2.gz HPBVKPNVIAXQSZ-UHFFFAOYSA-N 1 0 415.968 2.609 20 0 HFADRO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN(CCC[NH3+])c2ccccc2F)C1 ZINC000788855850 1077334999 /nfs/dbraw/zinc/33/49/99/1077334999.db2.gz QVIRMQHZOQGXLW-KRWDZBQOSA-N 1 0 422.545 2.744 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc4nc(C(N)=O)oc4c3)nc3ccc(C)cc3n12 ZINC001170150577 1077342630 /nfs/dbraw/zinc/34/26/30/1077342630.db2.gz ZDGKSLBOKVZEFC-UHFFFAOYSA-N 1 0 415.457 2.836 20 0 HFADRO CCS(=O)(=O)c1cccnc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170150825 1077346755 /nfs/dbraw/zinc/34/67/55/1077346755.db2.gz MRZWYKRFKCOAEY-UHFFFAOYSA-N 1 0 424.530 2.785 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000746773989 1077347640 /nfs/dbraw/zinc/34/76/40/1077347640.db2.gz XUVFSDWSKZDFQA-NHCUHLMSSA-N 1 0 416.566 2.633 20 0 HFADRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000788970964 1077366741 /nfs/dbraw/zinc/36/67/41/1077366741.db2.gz YCXOIURDLYSZBN-SWLSCSKDSA-N 1 0 422.410 2.836 20 0 HFADRO Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000791311468 1077382780 /nfs/dbraw/zinc/38/27/80/1077382780.db2.gz MYDNLXJHOCXHSD-VJOYDTAOSA-N 1 0 401.532 2.878 20 0 HFADRO O=C(NC[C@@H]1CCCN(c2ccccc2)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000789023397 1077387645 /nfs/dbraw/zinc/38/76/45/1077387645.db2.gz WFUUUGJWOVCQND-UGKGYDQZSA-N 1 0 400.567 2.846 20 0 HFADRO O=C(NC[C@H]1CCCN(c2ccccc2)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000789023394 1077387679 /nfs/dbraw/zinc/38/76/79/1077387679.db2.gz WFUUUGJWOVCQND-DENIHFKCSA-N 1 0 400.567 2.846 20 0 HFADRO Cc1c(Cl)c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)sc1S(N)(=O)=O ZINC000791349908 1077390281 /nfs/dbraw/zinc/39/02/81/1077390281.db2.gz DOFWJTFTNWULFF-UHFFFAOYSA-N 1 0 407.989 2.694 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000789050643 1077401312 /nfs/dbraw/zinc/40/13/12/1077401312.db2.gz BARPTVOVIAWPRR-QRWLVFNGSA-N 1 0 406.552 2.783 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NCc3cc4ccccc4[nH]3)cc2)CC1 ZINC000747012777 1077406785 /nfs/dbraw/zinc/40/67/85/1077406785.db2.gz CLSKHGGIYPARKS-UHFFFAOYSA-N 1 0 405.502 2.565 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000747012791 1077407193 /nfs/dbraw/zinc/40/71/93/1077407193.db2.gz CNWYSOYOWRGFMW-UHFFFAOYSA-N 1 0 424.545 2.872 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 ZINC000746788121 1077411543 /nfs/dbraw/zinc/41/15/43/1077411543.db2.gz MBGQHELWKRYVCQ-UHFFFAOYSA-N 1 0 408.493 2.883 20 0 HFADRO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000746788697 1077423812 /nfs/dbraw/zinc/42/38/12/1077423812.db2.gz VCYVCXDTBCPVEC-UHFFFAOYSA-N 1 0 422.957 2.561 20 0 HFADRO COc1ccc([C@@H](CNC(=O)COC(=O)C2(SC)CC2)[NH+]2CCCCC2)cc1 ZINC000789197673 1077456840 /nfs/dbraw/zinc/45/68/40/1077456840.db2.gz ZLWDNTYFTMQOCF-GOSISDBHSA-N 1 0 406.548 2.777 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)Cc2cccc(Cl)c2Cl)C1 ZINC000789246630 1077471015 /nfs/dbraw/zinc/47/10/15/1077471015.db2.gz VFEWUFWSKZEEDG-OAHLLOKOSA-N 1 0 417.333 2.552 20 0 HFADRO Cc1noc(C)c1C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001086600049 1077480473 /nfs/dbraw/zinc/48/04/73/1077480473.db2.gz XKONLLRPQKBSPM-PRZIMVISSA-N 1 0 407.514 2.799 20 0 HFADRO CC[NH+](CC)[C@@H](C(=O)N1CCN[C@H](c2cnn(C)c2)C1)c1cccc(C(F)(F)F)c1 ZINC001170100473 1077489714 /nfs/dbraw/zinc/48/97/14/1077489714.db2.gz BJQFEISNUIEDDB-RBUKOAKNSA-N 1 0 423.483 2.995 20 0 HFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CCCC1 ZINC000791589625 1077493530 /nfs/dbraw/zinc/49/35/30/1077493530.db2.gz QNQDTVCVXPGWKW-IRXDYDNUSA-N 1 0 403.523 2.704 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)C2)c1 ZINC000791600718 1077499836 /nfs/dbraw/zinc/49/98/36/1077499836.db2.gz AZLMROZLXMVHAH-IERDGZPVSA-N 1 0 401.507 2.674 20 0 HFADRO Cc1ccc([C@H]2CC[N@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)c(C)c1 ZINC000791606567 1077502944 /nfs/dbraw/zinc/50/29/44/1077502944.db2.gz VCVOTKXZIBZXIT-SFHVURJKSA-N 1 0 412.534 2.769 20 0 HFADRO NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC000789310376 1077509472 /nfs/dbraw/zinc/50/94/72/1077509472.db2.gz CDKKXIFCVPDHLB-UHFFFAOYSA-N 1 0 416.909 2.954 20 0 HFADRO NS(=O)(=O)c1ccc(CC[NH+]2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC000789314476 1077511201 /nfs/dbraw/zinc/51/12/01/1077511201.db2.gz ANKBMHQXFHUOMJ-UHFFFAOYSA-N 1 0 409.939 2.716 20 0 HFADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C)C(C)C ZINC000746802584 1077520889 /nfs/dbraw/zinc/52/08/89/1077520889.db2.gz FWWKXLZSRQGJPE-UHFFFAOYSA-N 1 0 410.946 2.605 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)C2)c1 ZINC000791699347 1077532322 /nfs/dbraw/zinc/53/23/22/1077532322.db2.gz GCBGGANKEJNWSC-MCFFVMPBSA-N 1 0 415.534 2.966 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(Br)nc2OC)C1 ZINC000789388692 1077533680 /nfs/dbraw/zinc/53/36/80/1077533680.db2.gz OUXOSJMUCGOIMS-CYBMUJFWSA-N 1 0 415.332 2.817 20 0 HFADRO Cc1c(Cl)cccc1NC(=S)C(C(=O)c1cnn(C)n1)[n+]1cccc(CO)c1 ZINC000789392117 1077534688 /nfs/dbraw/zinc/53/46/88/1077534688.db2.gz HCOMISBETJMDJI-UHFFFAOYSA-O 1 0 416.914 2.880 20 0 HFADRO CNC(=S)C(C(=O)c1cccc(S(C)(=O)=O)c1)[n+]1ccc2c(c1)CCCC2 ZINC000789392897 1077535230 /nfs/dbraw/zinc/53/52/30/1077535230.db2.gz KHHGFWYVQPGSEB-UHFFFAOYSA-O 1 0 403.549 2.687 20 0 HFADRO COc1cccc(/C=C(\C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)n2nnnc2C)c1 ZINC000791716363 1077536432 /nfs/dbraw/zinc/53/64/32/1077536432.db2.gz ULWHBZLVSMZGMR-BRPJJHRWSA-N 1 0 420.517 2.796 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000789360065 1077537003 /nfs/dbraw/zinc/53/70/03/1077537003.db2.gz XUHFZENDPJQNTG-UHFFFAOYSA-N 1 0 400.910 2.805 20 0 HFADRO Cc1ccc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(N(C)C)cc2)cc1C ZINC000789395588 1077537059 /nfs/dbraw/zinc/53/70/59/1077537059.db2.gz XFSGNGZVKWMNIY-UHFFFAOYSA-O 1 0 409.539 2.589 20 0 HFADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000791717440 1077537268 /nfs/dbraw/zinc/53/72/68/1077537268.db2.gz YUTBZNYNGNGPLH-CWRNSKLLSA-N 1 0 401.429 2.957 20 0 HFADRO C[NH+]1CCC(CNC(=S)N2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000789372650 1077543549 /nfs/dbraw/zinc/54/35/49/1077543549.db2.gz RXMOHDXMTUAARX-UHFFFAOYSA-N 1 0 411.413 2.787 20 0 HFADRO CC1(NC(=S)C(C(=O)c2ccc(N3CCCC3=O)cc2)[n+]2cccc(CO)c2)CC1 ZINC000789418328 1077550478 /nfs/dbraw/zinc/55/04/78/1077550478.db2.gz DJFPBHRFJUFUFO-UHFFFAOYSA-O 1 0 424.546 2.947 20 0 HFADRO COC(=O)c1ccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000789420523 1077551860 /nfs/dbraw/zinc/55/18/60/1077551860.db2.gz PXSXQLLSVUAAIE-UHFFFAOYSA-O 1 0 412.535 2.660 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000791753024 1077552705 /nfs/dbraw/zinc/55/27/05/1077552705.db2.gz XZUXDLPQSWLEKZ-FYYLOGMGSA-N 1 0 423.513 2.596 20 0 HFADRO CCO[C@H]1C[C@H]([NH2+]CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C12CCCC2 ZINC001170105654 1077552937 /nfs/dbraw/zinc/55/29/37/1077552937.db2.gz RCAGHSJBCBONSG-OALUTQOASA-N 1 0 406.523 2.656 20 0 HFADRO Cc1ccc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCCCCC(F)(F)F)c1 ZINC000789401033 1077559088 /nfs/dbraw/zinc/55/90/88/1077559088.db2.gz BEXYETZMPOGLHB-UHFFFAOYSA-O 1 0 400.450 2.944 20 0 HFADRO CCC(CC)c1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)NCc2ccon2)cc1 ZINC000789403106 1077560529 /nfs/dbraw/zinc/56/05/29/1077560529.db2.gz LAMFIAKYYKCEQW-UHFFFAOYSA-O 1 0 413.527 2.995 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000789404888 1077562084 /nfs/dbraw/zinc/56/20/84/1077562084.db2.gz KECDMHMXNYBKTK-UZLBHIALSA-N 1 0 411.502 2.902 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)NC[C@H]2CCCCO2)[n+]2ccc(C(C)(C)C)cc2)n1 ZINC000789406165 1077562327 /nfs/dbraw/zinc/56/23/27/1077562327.db2.gz VZYYNGUEVPDTMD-MRXNPFEDSA-O 1 0 416.571 2.770 20 0 HFADRO CCOC(=O)C1(CNC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CCCC1 ZINC000791831773 1077578032 /nfs/dbraw/zinc/57/80/32/1077578032.db2.gz APEVVTCOEQWDNU-UHFFFAOYSA-N 1 0 402.535 2.744 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000789461336 1077583457 /nfs/dbraw/zinc/58/34/57/1077583457.db2.gz BOLATYBPPAUSIY-QGZVFWFLSA-N 1 0 400.910 2.663 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000791881003 1077584864 /nfs/dbraw/zinc/58/48/64/1077584864.db2.gz GQDAYVJXRKLDIF-OAHLLOKOSA-N 1 0 408.547 2.917 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](c2ccccc2)N2CCSCC2)CC1 ZINC000791930680 1077597726 /nfs/dbraw/zinc/59/77/26/1077597726.db2.gz MRZSZHHVOPQGEQ-OAQYLSRUSA-N 1 0 405.608 2.736 20 0 HFADRO Cc1csc([C@](O)(CC(=O)NCc2cccc(C[NH+](C)C)c2)C(F)(F)F)n1 ZINC000746824644 1077598294 /nfs/dbraw/zinc/59/82/94/1077598294.db2.gz UVQXPHHTYOOGGI-QGZVFWFLSA-N 1 0 401.454 2.970 20 0 HFADRO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC000791909198 1077606444 /nfs/dbraw/zinc/60/64/44/1077606444.db2.gz QPDOIEWGHSNWBZ-SNVBAGLBSA-N 1 0 404.824 2.795 20 0 HFADRO C[N@H+](C[C@H](O)COCc1ccccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789519191 1077613440 /nfs/dbraw/zinc/61/34/40/1077613440.db2.gz XOSQMLNUHLCPHT-FPOVZHCZSA-N 1 0 402.922 2.950 20 0 HFADRO COC(=O)/C=C/c1ccc(OCC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000789521193 1077615021 /nfs/dbraw/zinc/61/50/21/1077615021.db2.gz LLHPHTPSGHSTPI-KCQSEKJDSA-N 1 0 408.498 2.985 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 ZINC000791950095 1077626859 /nfs/dbraw/zinc/62/68/59/1077626859.db2.gz KTMXNVBLLUXFFG-UHFFFAOYSA-N 1 0 415.490 2.686 20 0 HFADRO O=C(Nc1nc2c(s1)CCCCCC2)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000789549283 1077639531 /nfs/dbraw/zinc/63/95/31/1077639531.db2.gz PFZCBYRCWOYCRJ-MRXNPFEDSA-N 1 0 420.579 2.500 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000792052926 1077659436 /nfs/dbraw/zinc/65/94/36/1077659436.db2.gz FSOXAFQLHCEBOQ-JOCHJYFZSA-N 1 0 411.587 2.983 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000792066726 1077673840 /nfs/dbraw/zinc/67/38/40/1077673840.db2.gz QYTNEDQCSZNZQD-LJQANCHMSA-N 1 0 405.514 2.988 20 0 HFADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000789558734 1077676973 /nfs/dbraw/zinc/67/69/73/1077676973.db2.gz UQYNULANZVDCPN-LBPRGKRZSA-N 1 0 400.292 2.826 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000792052606 1077695055 /nfs/dbraw/zinc/69/50/55/1077695055.db2.gz KUTGZXJXGPYAHN-HSZRJFAPSA-N 1 0 422.529 2.517 20 0 HFADRO CCOC[C@@H](NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000789610279 1077707610 /nfs/dbraw/zinc/70/76/10/1077707610.db2.gz SMUOUNVHSSPYAP-OAQYLSRUSA-N 1 0 418.582 2.580 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000796653152 1077724820 /nfs/dbraw/zinc/72/48/20/1077724820.db2.gz QABLPCBFSHCIEG-PJIJBLCYSA-N 1 0 405.495 2.977 20 0 HFADRO C[C@H](C[C@@H](O)c1cccs1)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000789685779 1077727011 /nfs/dbraw/zinc/72/70/11/1077727011.db2.gz PHWCUPDVYPBHLI-KBRIMQKVSA-N 1 0 417.531 2.700 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000792161434 1077727208 /nfs/dbraw/zinc/72/72/08/1077727208.db2.gz SVBFMKHZHBKHBU-GCJKJVERSA-N 1 0 409.571 2.593 20 0 HFADRO CC(C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000789692573 1077730695 /nfs/dbraw/zinc/73/06/95/1077730695.db2.gz AHSGZHTVBBSNHD-UFYCRDLUSA-N 1 0 421.969 2.913 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000792170053 1077733383 /nfs/dbraw/zinc/73/33/83/1077733383.db2.gz CPYLVMDCUNBKLC-WMZOPIPTSA-N 1 0 409.324 2.512 20 0 HFADRO Cc1ccc(N2CCC[N@H+](CCN(Cc3ccccc3)S(C)(=O)=O)CC2)cc1 ZINC000792208152 1077738984 /nfs/dbraw/zinc/73/89/84/1077738984.db2.gz KTPGLRFBACBRMU-UHFFFAOYSA-N 1 0 401.576 2.969 20 0 HFADRO CS(=O)(=O)N(CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Cc1ccccc1 ZINC000792205643 1077745174 /nfs/dbraw/zinc/74/51/74/1077745174.db2.gz XNGMZVDWALSKPC-QFIPXVFZSA-N 1 0 402.560 2.894 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000792222673 1077748381 /nfs/dbraw/zinc/74/83/81/1077748381.db2.gz IWRSOFXQTRFBTE-QSAZIKIQSA-N 1 0 423.513 2.976 20 0 HFADRO CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000792230644 1077754106 /nfs/dbraw/zinc/75/41/06/1077754106.db2.gz NQKGUPJIQGEXDR-GOTSBHOMSA-N 1 0 420.557 2.951 20 0 HFADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)C1 ZINC000792234830 1077757169 /nfs/dbraw/zinc/75/71/69/1077757169.db2.gz GQFJIZUBIONMRC-YLJYHZDGSA-N 1 0 418.607 2.864 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000746854669 1077768936 /nfs/dbraw/zinc/76/89/36/1077768936.db2.gz BAQKYVFYEHHRKK-UHFFFAOYSA-N 1 0 417.560 2.552 20 0 HFADRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)C[C@@H](C)O1 ZINC000792216732 1077770162 /nfs/dbraw/zinc/77/01/62/1077770162.db2.gz XJPLDISVXIOUCX-IAGOWNOFSA-N 1 0 420.554 2.977 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)C2)c1 ZINC000792284767 1077774949 /nfs/dbraw/zinc/77/49/49/1077774949.db2.gz JESMGHCHFPSLNP-NYVOZVTQSA-N 1 0 409.486 2.758 20 0 HFADRO C[C@H](CNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)NC(=O)OC(C)(C)C ZINC000792252285 1077780030 /nfs/dbraw/zinc/78/00/30/1077780030.db2.gz PHDCMWCGYLFUDQ-QGZVFWFLSA-N 1 0 419.570 2.643 20 0 HFADRO COC(=O)Nc1ccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000789750783 1077782189 /nfs/dbraw/zinc/78/21/89/1077782189.db2.gz PPFJJDXRGRMVFX-QGZVFWFLSA-N 1 0 412.446 2.827 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)C2)c1 ZINC000792265425 1077786968 /nfs/dbraw/zinc/78/69/68/1077786968.db2.gz XGQHWNKZVSPASO-KKSFZXQISA-N 1 0 403.523 2.681 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000792275047 1077789442 /nfs/dbraw/zinc/78/94/42/1077789442.db2.gz IIRBCTFKKPNHJQ-QQFBHYJXSA-N 1 0 405.461 2.777 20 0 HFADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC001170120232 1077800228 /nfs/dbraw/zinc/80/02/28/1077800228.db2.gz ZMHKZKKDGKNKLQ-ROUUACIJSA-N 1 0 413.609 2.919 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000746856264 1077806138 /nfs/dbraw/zinc/80/61/38/1077806138.db2.gz VVPMNMHTGNAECE-UHFFFAOYSA-N 1 0 412.458 2.553 20 0 HFADRO C[N@H+](Cc1cc2ccccc2nc1N1CCOCC1)C1CCN(c2cnccn2)CC1 ZINC000789772224 1077808008 /nfs/dbraw/zinc/80/80/08/1077808008.db2.gz XCRCZAVUQWYUIW-UHFFFAOYSA-N 1 0 418.545 2.962 20 0 HFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000792347386 1077810481 /nfs/dbraw/zinc/81/04/81/1077810481.db2.gz KGKKLSSSPVYCFR-KRWDZBQOSA-N 1 0 409.534 2.764 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000789836366 1077815185 /nfs/dbraw/zinc/81/51/85/1077815185.db2.gz KNRRUQRVVSCHFE-SFHVURJKSA-N 1 0 415.534 2.839 20 0 HFADRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)ccc3n2)cn1 ZINC000792364240 1077816810 /nfs/dbraw/zinc/81/68/10/1077816810.db2.gz FHTWUTGWLUEDQG-JOCHJYFZSA-N 1 0 417.513 2.955 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000792366077 1077817026 /nfs/dbraw/zinc/81/70/26/1077817026.db2.gz CSRSMDUJBQSVCZ-OAHLLOKOSA-N 1 0 420.485 2.973 20 0 HFADRO Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)o1 ZINC000792366814 1077817870 /nfs/dbraw/zinc/81/78/70/1077817870.db2.gz NIZJVKKUEMXPET-GOSISDBHSA-N 1 0 419.485 2.622 20 0 HFADRO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789883811 1077835671 /nfs/dbraw/zinc/83/56/71/1077835671.db2.gz CLJATWLVNOXIOP-LKAWRWRFSA-N 1 0 421.541 2.900 20 0 HFADRO COC(OC)c1cc(Cl)cnc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170166132 1077843842 /nfs/dbraw/zinc/84/38/42/1077843842.db2.gz JJRZFURIJWNQJM-UHFFFAOYSA-N 1 0 405.886 2.895 20 0 HFADRO CCn1cc([C@H](O)C[N@H+](CCn2cnc3ccccc3c2=O)Cc2ccccc2)cn1 ZINC000792378501 1077844098 /nfs/dbraw/zinc/84/40/98/1077844098.db2.gz QAAOIANBDDIJGH-HSZRJFAPSA-N 1 0 417.513 2.849 20 0 HFADRO CCOC(=O)C1=C(C[NH2+][C@@]2(CC)CCOC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000792430206 1077851442 /nfs/dbraw/zinc/85/14/42/1077851442.db2.gz HLMWWVPOJIRXDG-XLIONFOSSA-N 1 0 407.898 2.670 20 0 HFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1nc(Br)cs1 ZINC000792441374 1077852048 /nfs/dbraw/zinc/85/20/48/1077852048.db2.gz PGLHFJASMMOSMK-AWEZNQCLSA-N 1 0 410.337 2.792 20 0 HFADRO COc1cccc(C[NH+]2CCC(NC(=O)c3cnnn3-c3cccc(F)c3)CC2)c1 ZINC000789901049 1077856181 /nfs/dbraw/zinc/85/61/81/1077856181.db2.gz CMPQRDXZCZATHG-UHFFFAOYSA-N 1 0 409.465 2.809 20 0 HFADRO COCC[N@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CC[C@H](C)C1 ZINC000792461984 1077858536 /nfs/dbraw/zinc/85/85/36/1077858536.db2.gz BKSOSQRPAODVCJ-PXNSSMCTSA-N 1 0 419.541 2.814 20 0 HFADRO COCC[N@H+](CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000792461990 1077858573 /nfs/dbraw/zinc/85/85/73/1077858573.db2.gz BKSOSQRPAODVCJ-YLJYHZDGSA-N 1 0 419.541 2.814 20 0 HFADRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000789947581 1077863737 /nfs/dbraw/zinc/86/37/37/1077863737.db2.gz YBQZKLLLRMBQHL-NHCUHLMSSA-N 1 0 424.545 2.961 20 0 HFADRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000789947583 1077863786 /nfs/dbraw/zinc/86/37/86/1077863786.db2.gz YBQZKLLLRMBQHL-OYRHEFFESA-N 1 0 424.545 2.961 20 0 HFADRO COc1nc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)ccc1Br ZINC001170167474 1077866344 /nfs/dbraw/zinc/86/63/44/1077866344.db2.gz IYVPEDVJAUFJSL-UHFFFAOYSA-N 1 0 406.284 2.721 20 0 HFADRO O=C(CN1C(=S)N=NC1c1cccs1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792497158 1077867473 /nfs/dbraw/zinc/86/74/73/1077867473.db2.gz YXXAERWSQKJPAY-INIZCTEOSA-N 1 0 413.572 2.934 20 0 HFADRO CC[C@H]1C[C@@H]([NH2+]C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)CCO1 ZINC001170169640 1077893229 /nfs/dbraw/zinc/89/32/29/1077893229.db2.gz OPOQXCSSGNQWIA-SZMVWBNQSA-N 1 0 407.486 2.535 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000789993146 1077893771 /nfs/dbraw/zinc/89/37/71/1077893771.db2.gz SHZKRPKMCDFPCL-AFYVEPGGSA-N 1 0 410.518 2.567 20 0 HFADRO CC(C)c1ccc(CN2CCN(C(=O)COC(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000792546473 1077898836 /nfs/dbraw/zinc/89/88/36/1077898836.db2.gz OEYLTSSWJVCLMF-UHFFFAOYSA-N 1 0 420.513 2.959 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000792549800 1077900131 /nfs/dbraw/zinc/90/01/31/1077900131.db2.gz NYNSKQKUOQSERM-GOSISDBHSA-N 1 0 407.426 2.626 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000789972833 1077902454 /nfs/dbraw/zinc/90/24/54/1077902454.db2.gz IXHLILUSCKWBMI-HNNXBMFYSA-N 1 0 408.568 2.911 20 0 HFADRO CC[C@H]1C[C@@H](N(CC(C)C)c2nc3c(cc2C(=O)N(C)C)CC[NH2+]CC3)CCO1 ZINC001170210216 1077908130 /nfs/dbraw/zinc/90/81/30/1077908130.db2.gz WMPCDXUXZJXUJW-OALUTQOASA-N 1 0 402.583 2.892 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2csc(C)n2)[C@@H]3C)CCO1 ZINC001170214223 1077908778 /nfs/dbraw/zinc/90/87/78/1077908778.db2.gz MQXINACSPISQQF-AYOQOUSVSA-N 1 0 407.580 2.991 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001170218964 1077910231 /nfs/dbraw/zinc/91/02/31/1077910231.db2.gz XLDSGSSXUCYXHR-DLBZAZTESA-N 1 0 401.548 2.595 20 0 HFADRO Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=O)[NH2+][C@@H]3CC[C@@H](C)C3)ccc12 ZINC001170125768 1077913425 /nfs/dbraw/zinc/91/34/25/1077913425.db2.gz PARMGGSKWCFKHD-SIIHOXLZSA-N 1 0 414.506 2.635 20 0 HFADRO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1ncnc(C2C[NH2+]C2)c1OC ZINC001170238580 1077914553 /nfs/dbraw/zinc/91/45/53/1077914553.db2.gz OYPRKEUAYORRQL-GMBSWORKSA-N 1 0 422.570 2.770 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc2c(c1)OC(C)(C)CC2 ZINC000790046300 1077915863 /nfs/dbraw/zinc/91/58/63/1077915863.db2.gz NVNHBZXEGUAIEN-UHFFFAOYSA-N 1 0 407.536 2.933 20 0 HFADRO CC[C@H]1C[C@@H]([NH+]2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)CCO1 ZINC001170223536 1077916589 /nfs/dbraw/zinc/91/65/89/1077916589.db2.gz SQDHYLPVQGKISA-OALUTQOASA-N 1 0 406.596 2.518 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)cc1 ZINC000790025198 1077917983 /nfs/dbraw/zinc/91/79/83/1077917983.db2.gz YZMOHZHKRHKRGC-HNNXBMFYSA-N 1 0 421.592 2.532 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncnc3c2ccn3COCC[Si](C)(C)C)O1 ZINC001170270046 1077923765 /nfs/dbraw/zinc/92/37/65/1077923765.db2.gz CIQSZUFVAYKGDH-MBOZVWFJSA-N 1 0 421.618 2.880 20 0 HFADRO C[C@H](Cc1ccccc1Cl)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001170274940 1077926222 /nfs/dbraw/zinc/92/62/22/1077926222.db2.gz SZZKIQYKFDEGCE-XCBAANBCSA-N 1 0 414.937 2.970 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@H+]1Cc2ccnn2C[C@H](COCC(=O)N(C)C)C1 ZINC001170275963 1077926911 /nfs/dbraw/zinc/92/69/11/1077926911.db2.gz KSABKSMAJBYMBN-DLBZAZTESA-N 1 0 404.942 2.704 20 0 HFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790048949 1077929204 /nfs/dbraw/zinc/92/92/04/1077929204.db2.gz BVIPCSRLOZQFDD-NRFANRHFSA-N 1 0 414.594 2.526 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)n1 ZINC000790050064 1077930517 /nfs/dbraw/zinc/93/05/17/1077930517.db2.gz XHPAIBBEAKFGQO-UHFFFAOYSA-N 1 0 401.960 2.557 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000790051409 1077931511 /nfs/dbraw/zinc/93/15/11/1077931511.db2.gz PCQLMJLPQVFIBM-SJORKVTESA-N 1 0 411.568 2.862 20 0 HFADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790055239 1077933747 /nfs/dbraw/zinc/93/37/47/1077933747.db2.gz YGYBULIAICONAC-LJQANCHMSA-N 1 0 414.594 2.524 20 0 HFADRO CCOC(=O)c1cc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])nc2nc(Cl)ccc21 ZINC001170277164 1077933748 /nfs/dbraw/zinc/93/37/48/1077933748.db2.gz IWJHJUYLEXMDID-LPMFXHHGSA-N 1 0 408.886 2.597 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc(Br)cc2Br)O1 ZINC001170278742 1077935117 /nfs/dbraw/zinc/93/51/17/1077935117.db2.gz ZHPIPQJWFOQWOR-WZRBSPASSA-N 1 0 409.122 2.743 20 0 HFADRO NC(=O)CC[N@H+](C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCOc2ccccc21 ZINC001170290295 1077938660 /nfs/dbraw/zinc/93/86/60/1077938660.db2.gz JPYCOUWGVICQJS-OXJNMPFZSA-N 1 0 409.486 2.609 20 0 HFADRO C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790113627 1077941865 /nfs/dbraw/zinc/94/18/65/1077941865.db2.gz LYPQBBORPRPPOG-GUYCJALGSA-N 1 0 403.918 2.859 20 0 HFADRO CCS(=O)(=O)c1ccc(CNc2nc(C[NH3+])ccc2NC(=O)C(C)(C)C)cc1 ZINC001170322548 1077943357 /nfs/dbraw/zinc/94/33/57/1077943357.db2.gz YPPFWJWNGBMHIS-UHFFFAOYSA-N 1 0 404.536 2.931 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)NS(=O)(=O)c1cc(C[C@@H](C)[NH3+])ccc1OC ZINC001170407072 1077966279 /nfs/dbraw/zinc/96/62/79/1077966279.db2.gz IUNVEHGMJYLPGH-RHSMWYFYSA-N 1 0 420.531 2.613 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001170411357 1077966574 /nfs/dbraw/zinc/96/65/74/1077966574.db2.gz JQZFVZUGIRUYAI-PDOICOKGSA-N 1 0 404.507 2.960 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cccnc2-n2ccnc2C)c1 ZINC000790189925 1077966801 /nfs/dbraw/zinc/96/68/01/1077966801.db2.gz DWBHKFSPADMEDR-UHFFFAOYSA-N 1 0 422.533 2.858 20 0 HFADRO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)cccc21 ZINC000790236675 1077973668 /nfs/dbraw/zinc/97/36/68/1077973668.db2.gz LLSBHCUWRCFYBE-DLBZAZTESA-N 1 0 405.495 2.646 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792789039 1077991915 /nfs/dbraw/zinc/99/19/15/1077991915.db2.gz HSCJNHINWZIAFT-QFIPXVFZSA-N 1 0 402.539 2.960 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000790271761 1077992242 /nfs/dbraw/zinc/99/22/42/1077992242.db2.gz ASTWOURJPORYQH-NXHRZFHOSA-N 1 0 409.452 2.764 20 0 HFADRO O=C(CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000772752553 1077992577 /nfs/dbraw/zinc/99/25/77/1077992577.db2.gz YOERXQYPWOOBTC-LJQANCHMSA-N 1 0 412.534 2.617 20 0 HFADRO O=C(NCCNc1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc(Cl)cn1 ZINC001170420207 1077998639 /nfs/dbraw/zinc/99/86/39/1077998639.db2.gz ANSFNFQTSCROHP-FPOVZHCZSA-N 1 0 400.910 2.597 20 0 HFADRO Cc1cc(NC(=S)NCCCN2CCOCC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000790342809 1078007526 /nfs/dbraw/zinc/00/75/26/1078007526.db2.gz SSCIJCUJWUDDQR-UHFFFAOYSA-N 1 0 419.639 2.534 20 0 HFADRO COc1ccccc1COC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790377657 1078008313 /nfs/dbraw/zinc/00/83/13/1078008313.db2.gz XEBTWBLNSUJHKZ-HSZRJFAPSA-N 1 0 415.534 2.550 20 0 HFADRO O=C1O[C@]2(CN1CN1CCC(COc3ccc(Cl)nc3)CC1)C[NH+]1CCC2CC1 ZINC000790388289 1078012605 /nfs/dbraw/zinc/01/26/05/1078012605.db2.gz OQXPTUITJVDMFM-NRFANRHFSA-N 1 0 420.941 2.700 20 0 HFADRO O=C1O[C@]2(CN1CN1CCn3c(cc4cc(Cl)ccc43)C1)C[NH+]1CCC2CC1 ZINC000790390398 1078012942 /nfs/dbraw/zinc/01/29/42/1078012942.db2.gz SXSIEIJRGNIMNC-NRFANRHFSA-N 1 0 400.910 2.984 20 0 HFADRO O=C1OCc2c1cccc2S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000747090402 1078016093 /nfs/dbraw/zinc/01/60/93/1078016093.db2.gz NWPJCHQNCRASIY-UHFFFAOYSA-N 1 0 406.529 2.609 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)NC(=O)OC(C)(C)C ZINC000792885301 1078016974 /nfs/dbraw/zinc/01/69/74/1078016974.db2.gz GNYPGTWQHWAXKV-GOSISDBHSA-N 1 0 418.538 2.822 20 0 HFADRO COc1ccc(OC)c([C@H]2CCCN2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790371182 1078017059 /nfs/dbraw/zinc/01/70/59/1078017059.db2.gz VOXWNJJCBUXLQA-KNQAVFIVSA-N 1 0 401.507 2.715 20 0 HFADRO CN1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1Cc1ccccc1 ZINC000792939624 1078021730 /nfs/dbraw/zinc/02/17/30/1078021730.db2.gz HNDORAJBDZUTNG-OAQYLSRUSA-N 1 0 420.557 2.766 20 0 HFADRO CC(C)NC(=O)c1ccccc1NC(=O)CN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000792939639 1078021977 /nfs/dbraw/zinc/02/19/77/1078021977.db2.gz HPNMCZRXDIQKSJ-HXUWFJFHSA-N 1 0 408.546 2.622 20 0 HFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790430237 1078028673 /nfs/dbraw/zinc/02/86/73/1078028673.db2.gz UZBXKZHFFNYFTA-VQTJNVASSA-N 1 0 420.529 2.541 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)nc1Br ZINC000792978769 1078031410 /nfs/dbraw/zinc/03/14/10/1078031410.db2.gz AYEMPQYFMXEJOW-CQSZACIVSA-N 1 0 409.328 2.568 20 0 HFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1cccc(Br)n1 ZINC000792949894 1078033333 /nfs/dbraw/zinc/03/33/33/1078033333.db2.gz AXYUKYPANARWMX-UHFFFAOYSA-N 1 0 419.323 2.939 20 0 HFADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCCC1 ZINC000792951643 1078033430 /nfs/dbraw/zinc/03/34/30/1078033430.db2.gz NUNOBMUAHBYWSR-CQSZACIVSA-N 1 0 411.344 2.799 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792952403 1078033838 /nfs/dbraw/zinc/03/38/38/1078033838.db2.gz HQZUEPZMVQXSEG-OKILXGFUSA-N 1 0 411.344 2.657 20 0 HFADRO COC(=O)c1c2cnn(C[NH+]3CCC(C4OCCO4)CC3)c2ccc1Br ZINC000790444647 1078033899 /nfs/dbraw/zinc/03/38/99/1078033899.db2.gz CCLQPMSURLUGAU-UHFFFAOYSA-N 1 0 424.295 2.628 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000792960377 1078036121 /nfs/dbraw/zinc/03/61/21/1078036121.db2.gz TYDWIXIFFSAQIE-QGZVFWFLSA-N 1 0 415.937 2.872 20 0 HFADRO COc1cc(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)ccc1OCCO ZINC000790468268 1078038392 /nfs/dbraw/zinc/03/83/92/1078038392.db2.gz RGJKGEIKHBADHH-UHFFFAOYSA-N 1 0 414.502 2.957 20 0 HFADRO C[NH+]1CCC(CCNC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792985221 1078040783 /nfs/dbraw/zinc/04/07/83/1078040783.db2.gz XNHWMWXELDHVLV-JOCHJYFZSA-N 1 0 402.539 2.819 20 0 HFADRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nnnn1C1CC1 ZINC000790479671 1078040973 /nfs/dbraw/zinc/04/09/73/1078040973.db2.gz QGPYMFRDULLONS-LWCVALJOSA-N 1 0 409.538 2.669 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)nc1Br ZINC000792988359 1078041879 /nfs/dbraw/zinc/04/18/79/1078041879.db2.gz UWOBGVGKHZGLCQ-UHFFFAOYSA-N 1 0 411.344 2.863 20 0 HFADRO C[C@@H](CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000792990242 1078042270 /nfs/dbraw/zinc/04/22/70/1078042270.db2.gz SINGTOFAVZOKLW-PKOBYXMFSA-N 1 0 402.539 2.817 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1Br ZINC000793019829 1078042386 /nfs/dbraw/zinc/04/23/86/1078042386.db2.gz VRFDTTJEBNFRAQ-KGLIPLIRSA-N 1 0 423.355 2.860 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000790486440 1078042588 /nfs/dbraw/zinc/04/25/88/1078042588.db2.gz OMDQLSUCDSRFFD-PKOBYXMFSA-N 1 0 419.570 2.553 20 0 HFADRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790492824 1078043269 /nfs/dbraw/zinc/04/32/69/1078043269.db2.gz ITSUFQGPYKIJDE-UHFFFAOYSA-N 1 0 415.925 2.929 20 0 HFADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N[C@@H]2CCCc3nc(C)ncc32)CC1 ZINC000806241361 1079518765 /nfs/dbraw/zinc/51/87/65/1079518765.db2.gz ZQNDNEFSYFZUSR-OAQYLSRUSA-N 1 0 415.582 2.639 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000806254228 1079522041 /nfs/dbraw/zinc/52/20/41/1079522041.db2.gz RENBSQAUMFBGRT-RTWAWAEBSA-N 1 0 421.557 2.724 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C)[NH+]2CCCC2)cc1 ZINC000747312106 1079545044 /nfs/dbraw/zinc/54/50/44/1079545044.db2.gz QXJFKMLTQVRYSD-OAQYLSRUSA-N 1 0 422.529 2.589 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)CCC2 ZINC000806300283 1079550798 /nfs/dbraw/zinc/55/07/98/1079550798.db2.gz KIPBXZDSIMQFSC-GOSISDBHSA-N 1 0 403.571 2.538 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc3ccccc3)C1)CCC2 ZINC000806299383 1079551893 /nfs/dbraw/zinc/55/18/93/1079551893.db2.gz XZDASHJSVGLVKL-RTWAWAEBSA-N 1 0 423.561 2.691 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[NH+](C3CCC(C)CC3)CC1)CCC2 ZINC000806302959 1079554704 /nfs/dbraw/zinc/55/47/04/1079554704.db2.gz JAQBDMPTUJDCMD-UUKMXZOPSA-N 1 0 415.582 2.681 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000806307321 1079560090 /nfs/dbraw/zinc/56/00/90/1079560090.db2.gz BUEZZCWJIRERSC-PMACEKPBSA-N 1 0 404.555 2.860 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000806308921 1079561342 /nfs/dbraw/zinc/56/13/42/1079561342.db2.gz ZHBOMVCHYWFEAF-IBGZPJMESA-N 1 0 400.479 2.976 20 0 HFADRO COc1cccc([C@@H](CNC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)[NH+](C)C)c1 ZINC000806308553 1079562541 /nfs/dbraw/zinc/56/25/41/1079562541.db2.gz VBWRSKQJDWHJLL-IEBWSBKVSA-N 1 0 406.527 2.560 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000806287491 1079572661 /nfs/dbraw/zinc/57/26/61/1079572661.db2.gz GAYLDXBUDZHQSP-FCHUYYIVSA-N 1 0 409.530 2.601 20 0 HFADRO C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806289203 1079573298 /nfs/dbraw/zinc/57/32/98/1079573298.db2.gz HPDVMQVNNDFHLR-DIECFANBSA-N 1 0 414.472 2.776 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[NH+](CC3CCCCC3)CC1)CCC2 ZINC000806295445 1079584343 /nfs/dbraw/zinc/58/43/43/1079584343.db2.gz PTDAJBFIOFRSDR-FQEVSTJZSA-N 1 0 415.582 2.682 20 0 HFADRO CCCCC[C@@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000806321266 1079592027 /nfs/dbraw/zinc/59/20/27/1079592027.db2.gz SKUXKMQTQWIINT-VQTJNVASSA-N 1 0 408.631 2.725 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)C1 ZINC000806321836 1079592996 /nfs/dbraw/zinc/59/29/96/1079592996.db2.gz AVIHDTQBZUIZMW-UXHICEINSA-N 1 0 424.586 2.576 20 0 HFADRO COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596655 1079615068 /nfs/dbraw/zinc/61/50/68/1079615068.db2.gz OJDNSYSHPIUFPB-BFUACXKISA-N 1 0 400.567 2.723 20 0 HFADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000806354026 1079625720 /nfs/dbraw/zinc/62/57/20/1079625720.db2.gz SFJLLZRLQOFBNQ-QTXGHNMQSA-N 1 0 408.568 2.852 20 0 HFADRO CSc1nc2nc(C)c(CC(=O)N[C@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC001130610499 1079630005 /nfs/dbraw/zinc/63/00/05/1079630005.db2.gz RMLMAJBVPSFRRL-JOCHJYFZSA-N 1 0 424.574 2.786 20 0 HFADRO Cc1ccc(NC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c(N(C)C)n1 ZINC000806360274 1079647299 /nfs/dbraw/zinc/64/72/99/1079647299.db2.gz BFQLXLVIRVFHCG-UHFFFAOYSA-N 1 0 410.566 2.738 20 0 HFADRO Cc1sc2nc(CN3CCC(C)CC3)nc(NCCOCCOCC[NH3+])c2c1C ZINC001170507275 1079656277 /nfs/dbraw/zinc/65/62/77/1079656277.db2.gz GCFVUDFLQDVRQS-UHFFFAOYSA-N 1 0 421.611 2.944 20 0 HFADRO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000806429206 1079673978 /nfs/dbraw/zinc/67/39/78/1079673978.db2.gz REGADHUBTPTJSC-ICSRJNTNSA-N 1 0 406.571 2.903 20 0 HFADRO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000806429208 1079674040 /nfs/dbraw/zinc/67/40/40/1079674040.db2.gz REGADHUBTPTJSC-UYAOXDASSA-N 1 0 406.571 2.903 20 0 HFADRO Cn1ncc(NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1C1CC1 ZINC000806428424 1079674689 /nfs/dbraw/zinc/67/46/89/1079674689.db2.gz HAXBNPJUFRDYMX-FQEVSTJZSA-N 1 0 408.550 2.722 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806434394 1079680223 /nfs/dbraw/zinc/68/02/23/1079680223.db2.gz KFNJTQCQADBNBU-PMACEKPBSA-N 1 0 402.539 2.961 20 0 HFADRO C[C@@]1(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC(c2ccccc2Cl)=NO1 ZINC000806434581 1079682477 /nfs/dbraw/zinc/68/24/77/1079682477.db2.gz OXMIXIMPINRTEN-IERDGZPVSA-N 1 0 405.926 2.936 20 0 HFADRO O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000806404274 1079691456 /nfs/dbraw/zinc/69/14/56/1079691456.db2.gz FNPOEKBVTWGLNJ-HXUWFJFHSA-N 1 0 424.586 2.722 20 0 HFADRO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000806406024 1079694274 /nfs/dbraw/zinc/69/42/74/1079694274.db2.gz UDLJVPHHCGSLKI-HXUWFJFHSA-N 1 0 424.586 2.531 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000806437191 1079705795 /nfs/dbraw/zinc/70/57/95/1079705795.db2.gz KHBQBVMYIDWDGC-QGZVFWFLSA-N 1 0 412.600 2.658 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000806477873 1079763649 /nfs/dbraw/zinc/76/36/49/1079763649.db2.gz NUCUFTSTFOEOLX-KRWDZBQOSA-N 1 0 406.531 2.625 20 0 HFADRO COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)CC1 ZINC000806540642 1079779177 /nfs/dbraw/zinc/77/91/77/1079779177.db2.gz FPWRNRULOPRVSD-AZUAARDMSA-N 1 0 424.586 2.530 20 0 HFADRO CN(c1ccc(NC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1)C1CC[NH+](C)CC1 ZINC000806535081 1079807514 /nfs/dbraw/zinc/80/75/14/1079807514.db2.gz MINRUAOAHGGJCX-UHFFFAOYSA-N 1 0 401.898 2.617 20 0 HFADRO COC(=O)[C@]1(NC(=O)c2cccc3ncn(C)c32)CCC[N@H+](Cc2ccccc2)C1 ZINC001130660547 1079808182 /nfs/dbraw/zinc/80/81/82/1079808182.db2.gz HSUVHJWPHOYRSO-QHCPKHFHSA-N 1 0 406.486 2.511 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCCc2cccc3[nH]ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000806580574 1079812350 /nfs/dbraw/zinc/81/23/50/1079812350.db2.gz JMPIOXDEMUVMBR-RUZDIDTESA-N 1 0 418.541 2.855 20 0 HFADRO CN(C(=O)C(=O)NCCc1ccc(Cl)nc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806593126 1079835827 /nfs/dbraw/zinc/83/58/27/1079835827.db2.gz HXNQTVDHONRGJJ-LJQANCHMSA-N 1 0 414.937 2.517 20 0 HFADRO CC(=O)NCC[C@H]1CCCN(C(=S)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000806597220 1079839411 /nfs/dbraw/zinc/83/94/11/1079839411.db2.gz FVJIVYOKZPFVHR-HXUWFJFHSA-N 1 0 402.608 2.764 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806595957 1079839468 /nfs/dbraw/zinc/83/94/68/1079839468.db2.gz QUJUWQACLLUUBU-KRWDZBQOSA-N 1 0 414.937 2.517 20 0 HFADRO O=C(NCCc1ccc(Cl)nc1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000806603714 1079846097 /nfs/dbraw/zinc/84/60/97/1079846097.db2.gz WDACAPKYTMEVPM-UHFFFAOYSA-N 1 0 406.958 2.508 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000806653167 1079871806 /nfs/dbraw/zinc/87/18/06/1079871806.db2.gz WVJBFKMGRHOZOG-RDPSFJRHSA-N 1 0 422.573 2.842 20 0 HFADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747341696 1079876729 /nfs/dbraw/zinc/87/67/29/1079876729.db2.gz HKBLIESKTQHYHR-ROUUACIJSA-N 1 0 402.926 2.795 20 0 HFADRO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000806659614 1079877075 /nfs/dbraw/zinc/87/70/75/1079877075.db2.gz AWNWXFAYIJYGNX-LEEZEASISA-N 1 0 411.546 2.876 20 0 HFADRO O=C(COc1ccc2cc(Br)ccc2c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747340544 1079901204 /nfs/dbraw/zinc/90/12/04/1079901204.db2.gz BCOMGZQLVFYUKV-MJGOQNOKSA-N 1 0 419.319 2.961 20 0 HFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806721314 1079945160 /nfs/dbraw/zinc/94/51/60/1079945160.db2.gz GXWCWBARZYEJNF-SLFFLAALSA-N 1 0 422.614 2.651 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000806724617 1079948123 /nfs/dbraw/zinc/94/81/23/1079948123.db2.gz YTJPFKZFDVLQQR-MGPUTAFESA-N 1 0 410.518 2.877 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000806728191 1079952335 /nfs/dbraw/zinc/95/23/35/1079952335.db2.gz LHBRVACTWVBHHW-UYAOXDASSA-N 1 0 415.578 2.643 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[N@H+](C)Cc1ccccc1 ZINC000806731423 1079956782 /nfs/dbraw/zinc/95/67/82/1079956782.db2.gz FDOUJCCEKDZRNS-SFHVURJKSA-N 1 0 411.546 2.557 20 0 HFADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)CC1 ZINC000806733079 1079958787 /nfs/dbraw/zinc/95/87/87/1079958787.db2.gz JDZXIKITZVCNRM-UHFFFAOYSA-N 1 0 403.567 2.501 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NCc2cccc3c2OCCO3)c1-c1ccccc1 ZINC000806751962 1079968866 /nfs/dbraw/zinc/96/88/66/1079968866.db2.gz STWXAVODIDHIKU-UHFFFAOYSA-N 1 0 406.486 2.813 20 0 HFADRO O=C(c1ccnc(OCC(F)F)c1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130733727 1079973870 /nfs/dbraw/zinc/97/38/70/1079973870.db2.gz XOHFBCQTULDIKB-MOPGFXCFSA-N 1 0 417.456 2.841 20 0 HFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)cc1 ZINC000806771686 1079991197 /nfs/dbraw/zinc/99/11/97/1079991197.db2.gz FWQJYWPDQMKVMP-QGZVFWFLSA-N 1 0 415.456 2.577 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)c3cc(-n4cccn4)ccn3)cc2)CC1 ZINC001130742404 1080006218 /nfs/dbraw/zinc/00/62/18/1080006218.db2.gz VVNNFQNROIHYOV-UHFFFAOYSA-N 1 0 420.517 2.536 20 0 HFADRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000806790201 1080011276 /nfs/dbraw/zinc/01/12/76/1080011276.db2.gz SMRKARQKVGMSHJ-UYAOXDASSA-N 1 0 403.954 2.837 20 0 HFADRO CC(C)OC(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000806796319 1080015576 /nfs/dbraw/zinc/01/55/76/1080015576.db2.gz ZCILDDYLXSCWPQ-PXNSSMCTSA-N 1 0 402.539 2.958 20 0 HFADRO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806814891 1080028320 /nfs/dbraw/zinc/02/83/20/1080028320.db2.gz XKVVQJSCRVNJJU-VQIMIIECSA-N 1 0 416.570 2.665 20 0 HFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 ZINC001130757292 1080043076 /nfs/dbraw/zinc/04/30/76/1080043076.db2.gz AHODWEJCSPOEGM-CMODXEBXSA-N 1 0 400.500 2.839 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806870193 1080071677 /nfs/dbraw/zinc/07/16/77/1080071677.db2.gz FKXRVQGTDQVVCP-UHFFFAOYSA-N 1 0 401.482 2.582 20 0 HFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000806919661 1080088395 /nfs/dbraw/zinc/08/83/95/1080088395.db2.gz RVAWJWGTSKTBCU-LBPRGKRZSA-N 1 0 405.296 2.536 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000806920256 1080089221 /nfs/dbraw/zinc/08/92/21/1080089221.db2.gz UGUYRVMXPJQSNN-HSZRJFAPSA-N 1 0 411.546 2.739 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)N2CCC3(CCCC3)C2)c1 ZINC000806921237 1080090257 /nfs/dbraw/zinc/09/02/57/1080090257.db2.gz MVXKWJKPVFEPAD-UHFFFAOYSA-N 1 0 400.523 2.698 20 0 HFADRO O=C(NCCCN1C(=O)c2ccccc2C1=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806932340 1080098242 /nfs/dbraw/zinc/09/82/42/1080098242.db2.gz YCVSHVOAHJXYFN-UHFFFAOYSA-N 1 0 412.534 2.769 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000806968306 1080136976 /nfs/dbraw/zinc/13/69/76/1080136976.db2.gz AKLXSXIRVMNQKK-QZTJIDSGSA-N 1 0 416.566 2.921 20 0 HFADRO C[C@H](CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)CC1(C)OCCO1 ZINC000806954805 1080165106 /nfs/dbraw/zinc/16/51/06/1080165106.db2.gz HOFGZLZHWFUNIX-KRWDZBQOSA-N 1 0 405.539 2.748 20 0 HFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC001130807045 1080175426 /nfs/dbraw/zinc/17/54/26/1080175426.db2.gz PHTUGEWVVNTKRI-UHFFFAOYSA-N 1 0 424.261 2.560 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807002065 1080180594 /nfs/dbraw/zinc/18/05/94/1080180594.db2.gz HJOYFDVCPYFJOY-UHFFFAOYSA-N 1 0 401.482 2.582 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1 ZINC000807037858 1080227333 /nfs/dbraw/zinc/22/73/33/1080227333.db2.gz DRXKIDGLTZRYGZ-NHCUHLMSSA-N 1 0 412.509 2.919 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807053577 1080237075 /nfs/dbraw/zinc/23/70/75/1080237075.db2.gz ALHIWUNCXHNOGR-QEORTHHSSA-N 1 0 415.962 2.846 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807084140 1080261694 /nfs/dbraw/zinc/26/16/94/1080261694.db2.gz MQUHNHFUOXLTCJ-RLLQIKCJSA-N 1 0 402.539 2.817 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H]2CCCc3nc(C)sc32)CC1 ZINC000807087895 1080264336 /nfs/dbraw/zinc/26/43/36/1080264336.db2.gz SWOSFTZIPUEPEV-GOSISDBHSA-N 1 0 410.584 2.598 20 0 HFADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)N(C)OCc1ccccc1 ZINC000807115072 1080291560 /nfs/dbraw/zinc/29/15/60/1080291560.db2.gz VAVGZPBNHKODGL-OALUTQOASA-N 1 0 409.530 2.849 20 0 HFADRO C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000807147294 1080302981 /nfs/dbraw/zinc/30/29/81/1080302981.db2.gz CVESBHXCXCSGHV-HTAPYJJXSA-N 1 0 407.555 2.707 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000807151675 1080310301 /nfs/dbraw/zinc/31/03/01/1080310301.db2.gz GDOFZGZLTGLBER-SIKLNZKXSA-N 1 0 402.539 2.961 20 0 HFADRO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807200030 1080348523 /nfs/dbraw/zinc/34/85/23/1080348523.db2.gz CEJRAVBDIBNSSR-WOIUINJBSA-N 1 0 403.592 2.805 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000807215602 1080368400 /nfs/dbraw/zinc/36/84/00/1080368400.db2.gz WEFZWTLVYCXUFT-LJQANCHMSA-N 1 0 400.523 2.632 20 0 HFADRO Cc1nn(C)c2nc(C)c(CCC(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)c(C)c12 ZINC000747376428 1080376425 /nfs/dbraw/zinc/37/64/25/1080376425.db2.gz RXRQSZRNIGBJHQ-DFQSSKMNSA-N 1 0 413.566 2.536 20 0 HFADRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000747377516 1080401829 /nfs/dbraw/zinc/40/18/29/1080401829.db2.gz YQVVXWLSYIQXLB-BURNTYAHSA-N 1 0 417.550 2.648 20 0 HFADRO CC(=O)N1CSC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000747378377 1080412710 /nfs/dbraw/zinc/41/27/10/1080412710.db2.gz UPRXENVQRIDPAI-KRWDZBQOSA-N 1 0 415.481 2.661 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1C)c1ccco1 ZINC000807310395 1080503556 /nfs/dbraw/zinc/50/35/56/1080503556.db2.gz HQNKYVVZRHWIKB-DYVFJYSZSA-N 1 0 416.478 2.950 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1C)c1ccco1 ZINC000807310394 1080503631 /nfs/dbraw/zinc/50/36/31/1080503631.db2.gz HQNKYVVZRHWIKB-CXAGYDPISA-N 1 0 416.478 2.950 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccnc1Br)c1ccco1 ZINC000807310517 1080504832 /nfs/dbraw/zinc/50/48/32/1080504832.db2.gz LHBFLQBCFULSMD-YPMHNXCESA-N 1 0 409.284 2.621 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cc(NC(C)=O)c(F)cc1F)c1ccco1 ZINC000807310522 1080504865 /nfs/dbraw/zinc/50/48/65/1080504865.db2.gz LLTZPFIQCAAKNJ-APPDUMDISA-N 1 0 422.432 2.700 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)OC)cc1)c1ccco1 ZINC000807313074 1080506173 /nfs/dbraw/zinc/50/61/73/1080506173.db2.gz WGGVWDQVNDSYND-PBHICJAKSA-N 1 0 416.478 2.666 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000807354179 1080514824 /nfs/dbraw/zinc/51/48/24/1080514824.db2.gz GUSGWBDAMSWPBX-CMPLNLGQSA-N 1 0 415.719 2.521 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807354072 1080515228 /nfs/dbraw/zinc/51/52/28/1080515228.db2.gz DXKBXGXWERKEJJ-RDJZCZTQSA-N 1 0 420.504 2.979 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000807357364 1080519676 /nfs/dbraw/zinc/51/96/76/1080519676.db2.gz CMCLBLBZGQXZTL-UHFFFAOYSA-N 1 0 411.344 2.816 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000807331746 1080531802 /nfs/dbraw/zinc/53/18/02/1080531802.db2.gz GMTLCCPQPNTBCT-RTBURBONSA-N 1 0 416.566 2.573 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807352768 1080559741 /nfs/dbraw/zinc/55/97/41/1080559741.db2.gz BQRWVQDDKUTBHU-GDBMZVCRSA-N 1 0 406.477 2.589 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000807394603 1080561494 /nfs/dbraw/zinc/56/14/94/1080561494.db2.gz URWOUFNCKBYQPN-SFHVURJKSA-N 1 0 404.511 2.820 20 0 HFADRO CNC(=O)Oc1cccc(OC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130932628 1080578500 /nfs/dbraw/zinc/57/85/00/1080578500.db2.gz NMSALWBVWGYGET-OALUTQOASA-N 1 0 400.479 2.558 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000807413907 1080611706 /nfs/dbraw/zinc/61/17/06/1080611706.db2.gz YXJKQKWTQIJTDV-UHFFFAOYSA-N 1 0 413.453 2.523 20 0 HFADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1N1CCSCC1 ZINC000807453020 1080633529 /nfs/dbraw/zinc/63/35/29/1080633529.db2.gz CZJHPWQTNUOEIW-XLIONFOSSA-N 1 0 416.591 2.572 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807454965 1080634780 /nfs/dbraw/zinc/63/47/80/1080634780.db2.gz ZQCKSEVLTDKDAM-PBHICJAKSA-N 1 0 401.898 2.549 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Br)CC2)C1 ZINC001170525240 1080648037 /nfs/dbraw/zinc/64/80/37/1080648037.db2.gz QXMLHZNOJYDJAQ-UKRRQHHQSA-N 1 0 409.324 2.985 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1)c1ccc(F)cc1 ZINC000807486187 1080668773 /nfs/dbraw/zinc/66/87/73/1080668773.db2.gz MHCSNFQECXJOND-LJQANCHMSA-N 1 0 416.472 2.923 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1C ZINC000807486199 1080669404 /nfs/dbraw/zinc/66/94/04/1080669404.db2.gz MMRNNFGBKSCONQ-SFHVURJKSA-N 1 0 416.453 2.670 20 0 HFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000807508454 1080710293 /nfs/dbraw/zinc/71/02/93/1080710293.db2.gz CNCUQMKXLSPFQS-UHFFFAOYSA-N 1 0 417.594 2.759 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)N[C@H](CCO)Cc2ccccc2)c1-c1ccccc1 ZINC000807475847 1080727970 /nfs/dbraw/zinc/72/79/70/1080727970.db2.gz QBJCWYVLQZKEBJ-OAQYLSRUSA-N 1 0 406.530 2.835 20 0 HFADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000807543664 1080760243 /nfs/dbraw/zinc/76/02/43/1080760243.db2.gz KBESXDLCMQSSRL-LPHOPBHVSA-N 1 0 421.476 2.729 20 0 HFADRO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccnc2Br)CC[N@@H+]1Cc1ccccc1 ZINC000807544738 1080761607 /nfs/dbraw/zinc/76/16/07/1080761607.db2.gz ZSNXODSCCHEPAL-ZFWWWQNUSA-N 1 0 417.307 2.562 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000807549657 1080765555 /nfs/dbraw/zinc/76/55/55/1080765555.db2.gz GMCIXFMIQQEPOD-UWJYYQICSA-N 1 0 412.575 2.576 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000747404901 1080786802 /nfs/dbraw/zinc/78/68/02/1080786802.db2.gz JANKKHFUVRVAOO-YJBOKZPZSA-N 1 0 417.579 2.821 20 0 HFADRO Cn1cc(/C=C/C(=O)OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000807581180 1080793129 /nfs/dbraw/zinc/79/31/29/1080793129.db2.gz QLZPVXIPIRBHSQ-SGQUHAKNSA-N 1 0 416.909 2.583 20 0 HFADRO CN(OCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807582527 1080793612 /nfs/dbraw/zinc/79/36/12/1080793612.db2.gz ORIFYPLNVACHLS-MJGOQNOKSA-N 1 0 401.532 2.837 20 0 HFADRO Cc1ccc(N(C)[C@H]2CCCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000807555232 1080805541 /nfs/dbraw/zinc/80/55/41/1080805541.db2.gz XGMHHAOHWBQCLP-IRQNMHNUSA-N 1 0 412.578 2.555 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1cc(C)cc(Cl)n1 ZINC000807559934 1080815117 /nfs/dbraw/zinc/81/51/17/1080815117.db2.gz YPVAAUURBBMNAH-UHFFFAOYSA-N 1 0 402.926 2.770 20 0 HFADRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001203422251 1126158761 /nfs/dbraw/zinc/15/87/61/1126158761.db2.gz QUMUFSYPKUXCCG-QGZVFWFLSA-N 1 0 403.331 2.724 20 0 HFADRO COc1ccc2nc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)[nH]c2n1 ZINC001198219746 1126155050 /nfs/dbraw/zinc/15/50/50/1126155050.db2.gz RTYZWKTXELWASK-SFHVURJKSA-N 1 0 405.296 2.812 20 0 HFADRO NS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001308040328 1126162950 /nfs/dbraw/zinc/16/29/50/1126162950.db2.gz UMWNNBLMIOPJPF-CVEARBPZSA-N 1 0 422.856 2.612 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2c(C)nn(CC(=O)OC(C)C)c2C)cc1 ZINC001462564990 1126197913 /nfs/dbraw/zinc/19/79/13/1126197913.db2.gz MFLISDLZEWSHOY-JOCHJYFZSA-N 1 0 403.523 2.543 20 0 HFADRO NS(=O)(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1Cl ZINC001560330374 1126210064 /nfs/dbraw/zinc/21/00/64/1126210064.db2.gz MDXHRLSSBXPPPN-GOEBONIOSA-N 1 0 422.856 2.612 20 0 HFADRO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)c1C ZINC001560580285 1126213423 /nfs/dbraw/zinc/21/34/23/1126213423.db2.gz PWTPTIDMZRRDIM-QFIPXVFZSA-N 1 0 404.507 2.909 20 0 HFADRO Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCC[N@H+](Cc4ccccc4)CC3)n12 ZINC000032932834 526217183 /nfs/dbraw/zinc/21/71/83/526217183.db2.gz CFJMMBJZXUCZKO-UHFFFAOYSA-N 1 0 416.529 2.598 20 0 HFADRO Cc1ccc(-c2cc(C(F)(F)N3CC(=O)NC4(CC[NH2+]CC4)C3)c(Cl)nn2)cc1 ZINC001164390942 718810015 /nfs/dbraw/zinc/81/00/15/718810015.db2.gz FCGIOLYGGUEIGG-UHFFFAOYSA-N 1 0 421.879 2.709 20 0 HFADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164398326 718834409 /nfs/dbraw/zinc/83/44/09/718834409.db2.gz DBHDZCWIMHJSOS-LJQANCHMSA-N 1 0 406.921 2.953 20 0 HFADRO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399531 718836881 /nfs/dbraw/zinc/83/68/81/718836881.db2.gz YXZASTCEWDNGDJ-HNNXBMFYSA-N 1 0 418.900 2.812 20 0 HFADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164426208 718918090 /nfs/dbraw/zinc/91/80/90/718918090.db2.gz YBUVIEKQGLEZFX-IBGZPJMESA-N 1 0 424.879 2.927 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(Cl)ncn3)CC2)CC1 ZINC001164618275 719020741 /nfs/dbraw/zinc/02/07/41/719020741.db2.gz RVHJOYCHAHJFOK-UHFFFAOYSA-N 1 0 402.873 2.919 20 0 HFADRO O=C(c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1)N1CCOCC1 ZINC001164619605 719057003 /nfs/dbraw/zinc/05/70/03/719057003.db2.gz CXHYGIYDMLDUFI-FGZHOGPDSA-N 1 0 406.530 2.655 20 0 HFADRO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164626655 719083216 /nfs/dbraw/zinc/08/32/16/719083216.db2.gz OXLCHXJACAOBJS-ZIAGYGMSSA-N 1 0 406.317 2.983 20 0 HFADRO O=C1CCC(=O)N1Cc1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164628070 719087703 /nfs/dbraw/zinc/08/77/03/719087703.db2.gz LXSFOKQQBXDTOT-SFTDATJTSA-N 1 0 404.514 2.831 20 0 HFADRO CCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCOCC2)n1 ZINC001164627350 719088038 /nfs/dbraw/zinc/08/80/38/719088038.db2.gz JWMYVLMFORBUAT-IRLDBZIGSA-N 1 0 407.562 2.976 20 0 HFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC000301642838 719465524 /nfs/dbraw/zinc/46/55/24/719465524.db2.gz HAGVHHMUVSWLMK-HOTGVXAUSA-N 1 0 408.531 2.546 20 0 HFADRO Cc1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681356 719662638 /nfs/dbraw/zinc/66/26/38/719662638.db2.gz MDZMEOFSJMSGDB-LJQANCHMSA-N 1 0 407.562 2.878 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)cc(OCc3ccccc3)n1)CC2 ZINC001164689824 719749699 /nfs/dbraw/zinc/74/96/99/719749699.db2.gz KOUVLRQCCBTQBJ-UHFFFAOYSA-N 1 0 409.534 2.545 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164690276 719753681 /nfs/dbraw/zinc/75/36/81/719753681.db2.gz YBXIIZVIZUVQHY-UHFFFAOYSA-N 1 0 422.957 2.871 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)cnc2C(N)=O)CC3)cs1 ZINC001164694438 719807046 /nfs/dbraw/zinc/80/70/46/719807046.db2.gz XSXYXDNDRYCYFY-UHFFFAOYSA-N 1 0 406.943 2.629 20 0 HFADRO CCOC(=O)Cc1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164693665 719809569 /nfs/dbraw/zinc/80/95/69/719809569.db2.gz QSMMMJLQPGLALU-UHFFFAOYSA-N 1 0 415.563 2.982 20 0 HFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccnc(N4CCOCC4)n2)CC3)cs1 ZINC001164693830 719811163 /nfs/dbraw/zinc/81/11/63/719811163.db2.gz RLURHTXJCKNBLH-UHFFFAOYSA-N 1 0 414.579 2.713 20 0 HFADRO CCNC(=O)c1ccc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nn1 ZINC001164692640 719815114 /nfs/dbraw/zinc/81/51/14/719815114.db2.gz QERXTGAQSDZCHL-UHFFFAOYSA-N 1 0 400.552 2.626 20 0 HFADRO Cc1noc([C@]23COC[C@@H]2CN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164807745 720055760 /nfs/dbraw/zinc/05/57/60/720055760.db2.gz WRURMDWTGFKGBY-GBXCKJPGSA-N 1 0 417.513 2.736 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cccnc3n1)CC2 ZINC001164716283 720114208 /nfs/dbraw/zinc/11/42/08/720114208.db2.gz KFVPLRPSZAIMGP-LJQANCHMSA-N 1 0 404.518 2.927 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CCCN3)CC2 ZINC001164716029 720118191 /nfs/dbraw/zinc/11/81/91/720118191.db2.gz IKVWBFPHJZGTQK-LJQANCHMSA-N 1 0 408.550 2.737 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)C2 ZINC001164808084 720134139 /nfs/dbraw/zinc/13/41/39/720134139.db2.gz DLONKKLOWHVFIE-HYBUGGRVSA-N 1 0 422.577 2.789 20 0 HFADRO Cn1nnc2c1CCN(c1nc(Cl)cc3[nH]ccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712915 720172654 /nfs/dbraw/zinc/17/26/54/720172654.db2.gz IGCXLOOIZBZIQK-QGZVFWFLSA-N 1 0 415.929 2.561 20 0 HFADRO COc1cccc2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc21 ZINC001164715909 720173618 /nfs/dbraw/zinc/17/36/18/720173618.db2.gz DJPRJXOIMPWKKT-LJQANCHMSA-N 1 0 422.533 2.588 20 0 HFADRO COc1ccc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)ccc2c1 ZINC001164718355 720176231 /nfs/dbraw/zinc/17/62/31/720176231.db2.gz PBKOJJSUTZZATO-NRFANRHFSA-N 1 0 422.533 2.588 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001164817170 720189163 /nfs/dbraw/zinc/18/91/63/720189163.db2.gz OJIOFZOVWAQHFR-YJYMSZOUSA-N 1 0 423.348 2.911 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c(OC)cc(OC)cc31)C2 ZINC001164811520 720199938 /nfs/dbraw/zinc/19/99/38/720199938.db2.gz JGFKSKCVCJNWNK-GAJHUEQPSA-N 1 0 412.534 2.832 20 0 HFADRO COc1cc(C)c2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164815598 720247948 /nfs/dbraw/zinc/24/79/48/720247948.db2.gz CRUDODJDXCFSGS-UHFFFAOYSA-N 1 0 422.533 2.754 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3cc[nH]c32)CC1 ZINC001164819818 720286306 /nfs/dbraw/zinc/28/63/06/720286306.db2.gz SHSDRCUYSKBMAF-JKSUJKDBSA-N 1 0 402.930 2.523 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3[nH]cc(F)c32)CC1 ZINC001164817584 720288512 /nfs/dbraw/zinc/28/85/12/720288512.db2.gz DQOLFGHJROLELK-GJZGRUSLSA-N 1 0 420.920 2.662 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3ccoc32)CC1 ZINC001164820525 720300417 /nfs/dbraw/zinc/30/04/17/720300417.db2.gz HINUFFHVAJWCDP-CVEARBPZSA-N 1 0 403.914 2.788 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820555 720300914 /nfs/dbraw/zinc/30/09/14/720300914.db2.gz HLBXYDSSZCLQCA-HOTGVXAUSA-N 1 0 409.987 2.763 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3nc(Cl)ccc32)CC1 ZINC001164825150 720301010 /nfs/dbraw/zinc/30/10/10/720301010.db2.gz SSJFFYARIBRSLA-IAGOWNOFSA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nn2)CC1 ZINC001164821032 720302587 /nfs/dbraw/zinc/30/25/87/720302587.db2.gz JFZMHFQSMUTSSU-CABCVRRESA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nn2)CC1 ZINC001164821036 720302805 /nfs/dbraw/zinc/30/28/05/720302805.db2.gz JFZMHFQSMUTSSU-LSDHHAIUSA-N 1 0 413.900 2.586 20 0 HFADRO Cc1nc2cc(F)ccc2c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823129 720307125 /nfs/dbraw/zinc/30/71/25/720307125.db2.gz OPYMRCFIGXLANA-SFTDATJTSA-N 1 0 411.525 2.989 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2SCC3)CC1 ZINC001164828229 720310687 /nfs/dbraw/zinc/31/06/87/720310687.db2.gz ZEWRMEMRPZJFIO-HZPDHXFCSA-N 1 0 421.998 2.690 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(Cl)c3cccnc32)CC1 ZINC001164824747 720319946 /nfs/dbraw/zinc/31/99/46/720319946.db2.gz DBQBRMNIUKMVBI-IRXDYDNUSA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3cc(Cl)cnc32)CC1 ZINC001164828500 720324370 /nfs/dbraw/zinc/32/43/70/720324370.db2.gz JWXAJBRUZGLANN-ZWKOTPCHSA-N 1 0 414.941 2.590 20 0 HFADRO COc1ccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(C)c2c1 ZINC001164823881 720324570 /nfs/dbraw/zinc/32/45/70/720324570.db2.gz BOCBLUGREQTMCF-VXKWHMMOSA-N 1 0 423.561 2.858 20 0 HFADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccccn2)n1 ZINC001164825719 720337017 /nfs/dbraw/zinc/33/70/17/720337017.db2.gz JMBYVFATFOHXEX-SFTDATJTSA-N 1 0 420.561 2.759 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823478 720344113 /nfs/dbraw/zinc/34/41/13/720344113.db2.gz GIVLXILAFOKCSC-FCHUYYIVSA-N 1 0 420.561 2.759 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823480 720344834 /nfs/dbraw/zinc/34/48/34/720344834.db2.gz GIVLXILAFOKCSC-VXKWHMMOSA-N 1 0 420.561 2.759 20 0 HFADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccco2)n1 ZINC001164824257 720344958 /nfs/dbraw/zinc/34/49/58/720344958.db2.gz HTDYLSLIRSJPDQ-RBUKOAKNSA-N 1 0 409.534 2.957 20 0 HFADRO CC(C)Sc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164827802 720346526 /nfs/dbraw/zinc/34/65/26/720346526.db2.gz MRYSAVGBCHYMRN-QZTJIDSGSA-N 1 0 403.596 2.889 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3c(nc2Cl)CCCC3)CC1 ZINC001164830661 720354644 /nfs/dbraw/zinc/35/46/44/720354644.db2.gz WLGNRHLBBYIDEM-MOPGFXCFSA-N 1 0 417.985 2.920 20 0 HFADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724238 720401776 /nfs/dbraw/zinc/40/17/76/720401776.db2.gz IMZYFTOZZZDQJU-PMACEKPBSA-N 1 0 401.518 2.853 20 0 HFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164730253 720428501 /nfs/dbraw/zinc/42/85/01/720428501.db2.gz IXZSLOMQHJWTHF-GJZGRUSLSA-N 1 0 412.881 2.646 20 0 HFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)no1 ZINC001164734796 720431910 /nfs/dbraw/zinc/43/19/10/720431910.db2.gz UOFHDYRTDSXWKC-RTBURBONSA-N 1 0 404.474 2.879 20 0 HFADRO Clc1cc(O[C@@H]2CCOC2)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164729513 720481744 /nfs/dbraw/zinc/48/17/44/720481744.db2.gz RJOFUQCDKLDNDR-IKGGRYGDSA-N 1 0 401.898 2.546 20 0 HFADRO O=C(C[C@@H]1OC[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@H]21)N1CCCCC1 ZINC001164840769 720503215 /nfs/dbraw/zinc/50/32/15/720503215.db2.gz XLPRXPCCWUMVDE-BDTNDASRSA-N 1 0 412.578 2.921 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(C(=O)N3CCCCC3)cc(Cl)n2)C1 ZINC001164727790 720509295 /nfs/dbraw/zinc/50/92/95/720509295.db2.gz DJBQGMKIPHSDHU-INIZCTEOSA-N 1 0 416.957 2.756 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3ncn4C)CC[C@@H]21 ZINC001164836402 720531066 /nfs/dbraw/zinc/53/10/66/720531066.db2.gz JYHTYSYNXCLFSS-PMPSAXMXSA-N 1 0 414.945 2.591 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4ccc(=O)n(C)c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841472 720548136 /nfs/dbraw/zinc/54/81/36/720548136.db2.gz WBHGSDJHCWCXTF-SLFFLAALSA-N 1 0 406.534 2.508 20 0 HFADRO CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836816 720562183 /nfs/dbraw/zinc/56/21/83/720562183.db2.gz LGBTWRIVXALKGH-GBESFXJTSA-N 1 0 412.586 2.635 20 0 HFADRO CNC(=O)c1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1Cl ZINC001164837391 720564587 /nfs/dbraw/zinc/56/45/87/720564587.db2.gz MEROHIVKAOCHPD-XYJFISCASA-N 1 0 416.957 2.669 20 0 HFADRO COc1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(Cl)n1 ZINC001164741625 720595330 /nfs/dbraw/zinc/59/53/30/720595330.db2.gz LVMXDOKKVNULSE-UHFFFAOYSA-N 1 0 412.872 2.539 20 0 HFADRO Fc1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164738126 720630448 /nfs/dbraw/zinc/63/04/48/720630448.db2.gz AJKUNXLIIJFRLD-KBPBESRZSA-N 1 0 400.845 2.554 20 0 HFADRO Clc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164740192 720634544 /nfs/dbraw/zinc/63/45/44/720634544.db2.gz HQGDOPTVWMOYAA-QZTJIDSGSA-N 1 0 408.893 2.929 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H](F)Oc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164842001 720649876 /nfs/dbraw/zinc/64/98/76/720649876.db2.gz ROJFMYCKGSGTRH-PASDCYSWSA-N 1 0 408.909 2.832 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC001164840355 720665386 /nfs/dbraw/zinc/66/53/86/720665386.db2.gz LRVGNBNNIFBPBE-NRFANRHFSA-N 1 0 423.561 2.573 20 0 HFADRO CCOC(=O)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164841854 720679097 /nfs/dbraw/zinc/67/90/97/720679097.db2.gz JNOXBHOVQVITLC-LJQANCHMSA-N 1 0 410.518 2.913 20 0 HFADRO Fc1cccc(Oc2cncc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164739424 720735112 /nfs/dbraw/zinc/73/51/12/720735112.db2.gz IOTYLPKFXAUJMZ-AEFFLSMTSA-N 1 0 408.437 2.540 20 0 HFADRO Clc1ccc2[nH]c3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3c2c1 ZINC001164741567 720750051 /nfs/dbraw/zinc/75/00/51/720750051.db2.gz MTTDGQYHUYGZES-CABCVRRESA-N 1 0 421.892 2.896 20 0 HFADRO Cc1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001164743386 720808834 /nfs/dbraw/zinc/80/88/34/720808834.db2.gz FSWBSWOJWZWBMJ-ZHALLVOQSA-N 1 0 409.563 2.971 20 0 HFADRO Cc1nc2sccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743403 720808971 /nfs/dbraw/zinc/80/89/71/720808971.db2.gz FWJLULJXGUITAL-ZHALLVOQSA-N 1 0 409.563 2.971 20 0 HFADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C ZINC001164743367 720810041 /nfs/dbraw/zinc/81/00/41/720810041.db2.gz FQUFLADRYJMKPI-QKNQBKEWSA-N 1 0 424.549 2.538 20 0 HFADRO Fc1ccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164752080 720814843 /nfs/dbraw/zinc/81/48/43/720814843.db2.gz YOBWCKPYXBVGNM-HGHGUNKESA-N 1 0 407.497 2.740 20 0 HFADRO Clc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744875 720815120 /nfs/dbraw/zinc/81/51/20/720815120.db2.gz JEDONFGVZSBGFM-KZNAEPCWSA-N 1 0 413.957 2.978 20 0 HFADRO COc1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740297 720818765 /nfs/dbraw/zinc/81/87/65/720818765.db2.gz KBGWWJFCCMEIHB-WAOWUJCRSA-N 1 0 419.533 2.609 20 0 HFADRO COc1cc(Cl)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739270 720826253 /nfs/dbraw/zinc/82/62/53/720826253.db2.gz HWXICWPFRZOENO-BPQIPLTHSA-N 1 0 402.930 2.715 20 0 HFADRO FC(F)(c1cnnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737673 720828906 /nfs/dbraw/zinc/82/89/06/720828906.db2.gz BRNKGOYZVGMZNA-USXIJHARSA-N 1 0 423.899 2.646 20 0 HFADRO Clc1nnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ncccc12 ZINC001164740135 720829510 /nfs/dbraw/zinc/82/95/10/720829510.db2.gz JCLFYHCVSHXCEP-SOLBZPMBSA-N 1 0 424.940 2.649 20 0 HFADRO Clc1cc(C2CC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740738 720830743 /nfs/dbraw/zinc/83/07/43/720830743.db2.gz LCYMJTTVWCPFBO-YQVWRLOYSA-N 1 0 413.957 2.978 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc21 ZINC001164747794 720834006 /nfs/dbraw/zinc/83/40/06/720834006.db2.gz RRDOJNSFXAHDBA-LVCYWYKZSA-N 1 0 419.533 2.609 20 0 HFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739950 720834314 /nfs/dbraw/zinc/83/43/14/720834314.db2.gz BCVIBRPHOGUNND-PCCBWWKXSA-N 1 0 416.533 2.510 20 0 HFADRO Clc1cc2[nH]cnc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746545 720835656 /nfs/dbraw/zinc/83/56/56/720835656.db2.gz OJEDVHSRWNXXJP-RVKKMQEKSA-N 1 0 412.929 2.582 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1Cl ZINC001164751842 720841320 /nfs/dbraw/zinc/84/13/20/720841320.db2.gz ZDUHATVSYJFMHE-JFIYKMOQSA-N 1 0 402.930 2.715 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccnc3C3SCCCS3)CC[C@H]2C1 ZINC001164857097 720846970 /nfs/dbraw/zinc/84/69/70/720846970.db2.gz XHUQBFDRPYPXIO-JKSUJKDBSA-N 1 0 410.609 2.519 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@@H]2C1 ZINC001164849292 720849489 /nfs/dbraw/zinc/84/94/89/720849489.db2.gz BYGQOCCNFUFBRU-MOPGFXCFSA-N 1 0 416.953 2.894 20 0 HFADRO CCc1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747298 720850540 /nfs/dbraw/zinc/85/05/40/720850540.db2.gz QCQZTGYIOPADEL-XYJFISCASA-N 1 0 401.946 2.663 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc2ccccc21 ZINC001164854956 720853378 /nfs/dbraw/zinc/85/33/78/720853378.db2.gz LWBVMJSCCSZHCN-LAUBAEHRSA-N 1 0 413.518 2.585 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C(=O)Nc4ccccc4)ccn3)CC[C@@H]2C1 ZINC001164852014 720857633 /nfs/dbraw/zinc/85/76/33/720857633.db2.gz BOURMVXOALZPMU-TZIWHRDSSA-N 1 0 410.518 2.507 20 0 HFADRO c1csc(-c2nccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)n1 ZINC001164750211 720860383 /nfs/dbraw/zinc/86/03/83/720860383.db2.gz ORJVDCWPOHKZAB-RCCFBDPRSA-N 1 0 422.562 2.571 20 0 HFADRO c1cc2nccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2n1 ZINC001164752978 720867488 /nfs/dbraw/zinc/86/74/88/720867488.db2.gz OAQGPLIHTXBFJU-URXFXBBRSA-N 1 0 418.545 2.879 20 0 HFADRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164754817 720868119 /nfs/dbraw/zinc/86/81/19/720868119.db2.gz SPUJCJXCZHNIRC-NZQKXSOJSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@H]2C1 ZINC001164863828 720879291 /nfs/dbraw/zinc/87/92/91/720879291.db2.gz UUPAQJHLLIMHGY-FXAWDEMLSA-N 1 0 402.926 2.971 20 0 HFADRO COc1ncnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164756290 720887399 /nfs/dbraw/zinc/88/73/99/720887399.db2.gz PDBWHHLHQLHJHU-ZJSXRUAMSA-N 1 0 423.561 2.944 20 0 HFADRO Cc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164753115 720930921 /nfs/dbraw/zinc/93/09/21/720930921.db2.gz PWDXVZKNRIESJZ-GGAORHGYSA-N 1 0 408.550 2.639 20 0 HFADRO Cc1nnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C ZINC001164753114 720931551 /nfs/dbraw/zinc/93/15/51/720931551.db2.gz PWDXVZKNRIESJZ-FYYLOGMGSA-N 1 0 408.550 2.639 20 0 HFADRO CCOC(=O)c1nnc(Cl)cc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859978 720953775 /nfs/dbraw/zinc/95/37/75/720953775.db2.gz OSYDYKIBQDYJJD-ZDUSSCGKSA-N 1 0 406.918 2.925 20 0 HFADRO c1ncn2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@@H](COCC1CC1)C2 ZINC001164758966 720977492 /nfs/dbraw/zinc/97/74/92/720977492.db2.gz XRYKVXOHNRPVIF-HXUWFJFHSA-N 1 0 411.550 2.816 20 0 HFADRO c1ncn2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@H](COCC1CC1)C2 ZINC001164758965 720978031 /nfs/dbraw/zinc/97/80/31/720978031.db2.gz XRYKVXOHNRPVIF-FQEVSTJZSA-N 1 0 411.550 2.816 20 0 HFADRO COCCOC(=O)c1ccnc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164863975 721017591 /nfs/dbraw/zinc/01/75/91/721017591.db2.gz WDMOEDYEAZRMGD-MRXNPFEDSA-N 1 0 401.511 2.503 20 0 HFADRO CCCNC(=O)c1cc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861391 721023775 /nfs/dbraw/zinc/02/37/75/721023775.db2.gz OHIHNPNDWNHISW-CQSZACIVSA-N 1 0 419.961 2.888 20 0 HFADRO Fc1c[nH]c2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164866093 721045199 /nfs/dbraw/zinc/04/51/99/721045199.db2.gz CSFLFLVQTSOXFC-KBPBESRZSA-N 1 0 402.861 2.625 20 0 HFADRO COc1ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc(C)c2c1 ZINC001164864603 721103132 /nfs/dbraw/zinc/10/31/32/721103132.db2.gz GNUDMWMKGFOJHW-AZUAARDMSA-N 1 0 405.502 2.822 20 0 HFADRO COc1cc2c(cc1F)ncnc2N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865467 721111222 /nfs/dbraw/zinc/11/12/22/721111222.db2.gz LNNABGDIHMSZLI-IAGOWNOFSA-N 1 0 409.465 2.652 20 0 HFADRO COC(=O)c1ccc2nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001164768164 721116722 /nfs/dbraw/zinc/11/67/22/721116722.db2.gz NNCGWTXZYCUQNC-PMACEKPBSA-N 1 0 405.502 2.713 20 0 HFADRO CCOC(=O)c1cnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164773310 721140619 /nfs/dbraw/zinc/14/06/19/721140619.db2.gz YEQYYQNRTQXRFU-DOTOQJQBSA-N 1 0 403.914 2.604 20 0 HFADRO COc1ccc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164773727 721152162 /nfs/dbraw/zinc/15/21/62/721152162.db2.gz YUXFDCKEWWSVSA-HUUCEWRRSA-N 1 0 411.884 2.980 20 0 HFADRO COC(=O)c1cc2ccccc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880752 721155330 /nfs/dbraw/zinc/15/53/30/721155330.db2.gz XMFXRZDRVKLWTI-VQTJNVASSA-N 1 0 418.497 2.896 20 0 HFADRO Fc1cccc(-c2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876458 721156618 /nfs/dbraw/zinc/15/66/18/721156618.db2.gz MNKKMEVTEWSMAJ-VQTJNVASSA-N 1 0 406.465 2.552 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5nc4N4CCCC4)C[C@H]3C2)cn1 ZINC001164774387 721189074 /nfs/dbraw/zinc/18/90/74/721189074.db2.gz YTENAAAQOKBASX-VQTJNVASSA-N 1 0 417.561 2.922 20 0 HFADRO COc1ccccc1-c1ccc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nn1 ZINC001164770795 721202286 /nfs/dbraw/zinc/20/22/86/721202286.db2.gz OKLJVQWPNYJFEH-RTBURBONSA-N 1 0 404.518 2.844 20 0 HFADRO COc1ccc(-c2cc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncn2)cc1 ZINC001164772873 721209515 /nfs/dbraw/zinc/20/95/15/721209515.db2.gz VTRAALVLGKKNDT-WOJBJXKFSA-N 1 0 404.518 2.844 20 0 HFADRO COc1ccc(-c2cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)ncn2)cc1 ZINC001164772872 721210125 /nfs/dbraw/zinc/21/01/25/721210125.db2.gz VTRAALVLGKKNDT-VQTJNVASSA-N 1 0 404.518 2.844 20 0 HFADRO CCCSc1ncnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1OC ZINC001164760287 721241373 /nfs/dbraw/zinc/24/13/73/721241373.db2.gz DGBCEXYFPIUMFN-IRXDYDNUSA-N 1 0 402.568 2.679 20 0 HFADRO CCOC(=O)c1cnc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1Cl ZINC001164767054 721280579 /nfs/dbraw/zinc/28/05/79/721280579.db2.gz DZHRPXNTQNHLDX-UHFFFAOYSA-N 1 0 400.857 2.774 20 0 HFADRO CC[C@H]1C(=O)N(C)c2cnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc2N1C1CCCC1 ZINC001164773156 721287814 /nfs/dbraw/zinc/28/78/14/721287814.db2.gz NYHVNXKYDQJUAF-IBGZPJMESA-N 1 0 424.593 2.903 20 0 HFADRO CS(=O)(=O)c1cc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)cnc1Cl ZINC001164775067 721303987 /nfs/dbraw/zinc/30/39/87/721303987.db2.gz NWZSOSMVDRUEOT-UHFFFAOYSA-N 1 0 405.898 2.606 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3OCCN(c4ccc(C)nn4)[C@H]3C2)nc1 ZINC001164775695 721313807 /nfs/dbraw/zinc/31/38/07/721313807.db2.gz ILJNWTQOCLTGQY-HKBOAZHASA-N 1 0 408.550 2.821 20 0 HFADRO Cc1nc2ccsc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889275 721380081 /nfs/dbraw/zinc/38/00/81/721380081.db2.gz LLIUQXRESJKKRE-UTKZUKDTSA-N 1 0 401.580 2.765 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893606 721382326 /nfs/dbraw/zinc/38/23/26/721382326.db2.gz WBNGAZPQQHLCAQ-BEFAXECRSA-N 1 0 412.003 2.617 20 0 HFADRO Cc1cc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2s1 ZINC001164889574 721428309 /nfs/dbraw/zinc/42/83/09/721428309.db2.gz BUILMXJXPHKTSK-UTKZUKDTSA-N 1 0 401.580 2.765 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896697 721437926 /nfs/dbraw/zinc/43/79/26/721437926.db2.gz RTTUZHSMSMEGCJ-PGRDOPGGSA-N 1 0 413.591 2.971 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164896708 721440840 /nfs/dbraw/zinc/44/08/40/721440840.db2.gz RUVAPWGOCJIISZ-URXFXBBRSA-N 1 0 422.577 2.612 20 0 HFADRO CCOc1cncc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164789366 721448386 /nfs/dbraw/zinc/44/83/86/721448386.db2.gz UYBJXYSDEQGNGP-LJQANCHMSA-N 1 0 404.555 2.609 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(Cl)[n+]1[O-])CC2 ZINC001164785647 721456123 /nfs/dbraw/zinc/45/61/23/721456123.db2.gz MIPLDTLWRMZFBZ-SFHVURJKSA-N 1 0 409.958 2.707 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(OC)n1)CC2 ZINC001164788493 721460021 /nfs/dbraw/zinc/46/00/21/721460021.db2.gz SXESHUREOZMYCW-LJQANCHMSA-N 1 0 404.555 2.528 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3cccnc3n1)CC2 ZINC001164789934 721460824 /nfs/dbraw/zinc/46/08/24/721460824.db2.gz YPBKLIHFTBOKPN-HXUWFJFHSA-N 1 0 411.550 2.759 20 0 HFADRO CN1CCN(c2nccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)n2)CC1 ZINC001164795505 721502311 /nfs/dbraw/zinc/50/23/11/721502311.db2.gz JJQGPXLESBOLED-UHFFFAOYSA-N 1 0 421.593 2.504 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc(Cl)cc4)nn2)CC3)CC1 ZINC001164794177 721509821 /nfs/dbraw/zinc/50/98/21/721509821.db2.gz JAJCAHDRRBNPPE-UHFFFAOYSA-N 1 0 423.952 2.761 20 0 HFADRO Cc1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C(N)=O ZINC001164897686 721513209 /nfs/dbraw/zinc/51/32/09/721513209.db2.gz GIAZXEMXAXJRKS-GDBMZVCRSA-N 1 0 404.873 2.623 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cccc(-c4cccc(Cl)n4)n2)CC3)CC1 ZINC001164794030 721514080 /nfs/dbraw/zinc/51/40/80/721514080.db2.gz BUDGJYDMCJYTCP-UHFFFAOYSA-N 1 0 423.952 2.761 20 0 HFADRO COC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164899671 721517975 /nfs/dbraw/zinc/51/79/75/721517975.db2.gz LOZYZHJQHJHCRF-IEBWSBKVSA-N 1 0 422.460 2.897 20 0 HFADRO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164799203 721518391 /nfs/dbraw/zinc/51/83/91/721518391.db2.gz YOKYMERMGBZRCP-UHFFFAOYSA-N 1 0 417.989 2.700 20 0 HFADRO CCOC(=O)/C=C\c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810699 721529958 /nfs/dbraw/zinc/52/99/58/721529958.db2.gz YBIXTFJXIDMEJS-UHIWMWCPSA-N 1 0 422.529 2.921 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164912349 721533429 /nfs/dbraw/zinc/53/34/29/721533429.db2.gz YZUWCPSIEGBXOX-FUHWJXTLSA-N 1 0 413.497 2.942 20 0 HFADRO COC(=O)c1cc2ccncc2nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908150 721538277 /nfs/dbraw/zinc/53/82/77/721538277.db2.gz PDABEDQOTVMRKF-HKUYNNGSSA-N 1 0 422.460 2.897 20 0 HFADRO CON(C)C(=O)c1cc(C)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907617 721547893 /nfs/dbraw/zinc/54/78/93/721547893.db2.gz NQLFZHQWEFDRPA-HKUYNNGSSA-N 1 0 414.481 2.504 20 0 HFADRO COc1ccc2c(c1)ncnc2N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810476 721554578 /nfs/dbraw/zinc/55/45/78/721554578.db2.gz YLELSKGWFQOGLQ-FDFHNCONSA-N 1 0 405.502 2.902 20 0 HFADRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3cccnc3)n2)[C@H]2CCCO[C@H]12 ZINC001164806250 721561506 /nfs/dbraw/zinc/56/15/06/721561506.db2.gz PKTIYDBKSBBVNX-VWPQPMDRSA-N 1 0 402.502 2.802 20 0 HFADRO COC(OC)c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807307 721570677 /nfs/dbraw/zinc/57/06/77/721570677.db2.gz SOYSFHUCQNFGCV-HKBOAZHASA-N 1 0 412.534 2.945 20 0 HFADRO NC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907108 721585692 /nfs/dbraw/zinc/58/56/92/721585692.db2.gz RZSMJGWMARVRDT-LJQANCHMSA-N 1 0 421.879 2.967 20 0 HFADRO FC1(F)CCN(c2cncc(-n3ccnc3)n2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906262 721715217 /nfs/dbraw/zinc/71/52/17/721715217.db2.gz LWTDXGWHHKJRJB-FQEVSTJZSA-N 1 0 411.460 2.795 20 0 HFADRO COc1ccc2c(cc[nH+]c2N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC001164913627 721774020 /nfs/dbraw/zinc/77/40/20/721774020.db2.gz YTNPWWKXSYWDJY-XMMPIXPASA-N 1 0 420.513 2.746 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)C[C@@H]21 ZINC001165023931 721821678 /nfs/dbraw/zinc/82/16/78/721821678.db2.gz IVGSLLCXTYYOKJ-BPQIPLTHSA-N 1 0 406.534 2.838 20 0 HFADRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164921134 721836556 /nfs/dbraw/zinc/83/65/56/721836556.db2.gz BWKKSUMTVBUNPK-REWPJTCUSA-N 1 0 408.550 2.732 20 0 HFADRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164925085 721837252 /nfs/dbraw/zinc/83/72/52/721837252.db2.gz NQEZVDXAKYXICR-NFBKMPQASA-N 1 0 408.550 2.732 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926955 721866939 /nfs/dbraw/zinc/86/69/39/721866939.db2.gz TWHYCOIMFYCJJR-RTWAWAEBSA-N 1 0 408.525 2.833 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncnc2c1ccn2Cc1ccc(F)cc1 ZINC001164926953 721867177 /nfs/dbraw/zinc/86/71/77/721867177.db2.gz TWHYCOIMFYCJJR-NHCUHLMSSA-N 1 0 408.525 2.833 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc(C(=O)NC2CCCC2)cc1Cl ZINC001164933491 721880869 /nfs/dbraw/zinc/88/08/69/721880869.db2.gz MKAPJPCZRQOPLJ-RTBURBONSA-N 1 0 405.974 2.622 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC[C@H]([NH+](C)C)C3)nc2N1[C@H]1CCC(F)(F)C1 ZINC001165035235 721894509 /nfs/dbraw/zinc/89/45/09/721894509.db2.gz LWJGVKHOEHZSQQ-HRCADAONSA-N 1 0 422.524 2.756 20 0 HFADRO Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165039843 721905699 /nfs/dbraw/zinc/90/56/99/721905699.db2.gz WGGSDPPVHBATQY-QGZVFWFLSA-N 1 0 412.925 2.829 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(=O)N(C)C)cn4)CC3)C2)cc1 ZINC001164939317 721925363 /nfs/dbraw/zinc/92/53/63/721925363.db2.gz IFAFCPCMOXHCGJ-UHFFFAOYSA-N 1 0 408.546 2.963 20 0 HFADRO CCOC(=O)c1cncc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939375 721926180 /nfs/dbraw/zinc/92/61/80/721926180.db2.gz KPIFCIJBIYUEJY-UHFFFAOYSA-N 1 0 410.518 2.833 20 0 HFADRO CCOC(=O)Cc1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940509 721927258 /nfs/dbraw/zinc/92/72/58/721927258.db2.gz SGRGAGWORMOFFV-UHFFFAOYSA-N 1 0 424.545 2.762 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4C(C)(C)C(=O)N5)CC3)C2)cc1 ZINC001164939669 721929949 /nfs/dbraw/zinc/92/99/49/721929949.db2.gz NWKFQLYHFPUTHF-UHFFFAOYSA-N 1 0 421.545 2.886 20 0 HFADRO COc1cnc2c(c1)ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962456 722058784 /nfs/dbraw/zinc/05/87/84/722058784.db2.gz SCTHNORSKDAVLS-UHFFFAOYSA-N 1 0 420.517 2.547 20 0 HFADRO C[N@H+](Cc1ccc(N2C[C@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001164976605 722090860 /nfs/dbraw/zinc/09/08/60/722090860.db2.gz SCQUPYYWUHDCEZ-PXNSSMCTSA-N 1 0 412.559 2.675 20 0 HFADRO Cc1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1NCC1CC1 ZINC001164986223 722099036 /nfs/dbraw/zinc/09/90/36/722099036.db2.gz YLZKCBYQBJTRAY-LEWJYISDSA-N 1 0 408.550 2.729 20 0 HFADRO Clc1nc2ncccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984700 722104636 /nfs/dbraw/zinc/10/46/36/722104636.db2.gz TZNCDAWGXOVPMB-SJLPKXTDSA-N 1 0 410.909 2.801 20 0 HFADRO COc1ccc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164986420 722106722 /nfs/dbraw/zinc/10/67/22/722106722.db2.gz YZQQRRCAQZHYEV-GCJKJVERSA-N 1 0 405.502 2.761 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164975072 722117221 /nfs/dbraw/zinc/11/72/21/722117221.db2.gz JFYQNOILPPWTML-RTBURBONSA-N 1 0 424.549 2.584 20 0 HFADRO COc1c(Cl)nc(C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981060 722117546 /nfs/dbraw/zinc/11/75/46/722117546.db2.gz SFHCFTPRGAATRX-SJORKVTESA-N 1 0 403.914 2.569 20 0 HFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979802 722118471 /nfs/dbraw/zinc/11/84/71/722118471.db2.gz QENMPUJEJRLNNT-ZWOKBUDYSA-N 1 0 406.889 2.985 20 0 HFADRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc21 ZINC001164973038 722125329 /nfs/dbraw/zinc/12/53/29/722125329.db2.gz GDJRDZYAJFEYTQ-GHTZIAJQSA-N 1 0 405.502 2.761 20 0 HFADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164983351 722138316 /nfs/dbraw/zinc/13/83/16/722138316.db2.gz UOUKDXIJGLQOKM-FCHUYYIVSA-N 1 0 416.529 2.969 20 0 HFADRO COc1cccc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981700 722143074 /nfs/dbraw/zinc/14/30/74/722143074.db2.gz PZXITJWJEXQBAR-GHTZIAJQSA-N 1 0 405.502 2.761 20 0 HFADRO c1ccc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)nc1 ZINC001164980910 722145161 /nfs/dbraw/zinc/14/51/61/722145161.db2.gz NQCZVJLXBRZLPR-UGKGYDQZSA-N 1 0 402.502 2.661 20 0 HFADRO c1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)nc1 ZINC001164983878 722148206 /nfs/dbraw/zinc/14/82/06/722148206.db2.gz VYKTVTDETINTRT-DENIHFKCSA-N 1 0 402.502 2.661 20 0 HFADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc(-n5ccnc5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164990181 722185947 /nfs/dbraw/zinc/18/59/47/722185947.db2.gz QZIMTFMAARCLNY-UXHICEINSA-N 1 0 410.547 2.902 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164995365 722207868 /nfs/dbraw/zinc/20/78/68/722207868.db2.gz MOWVOTPTQREVGY-NRFANRHFSA-N 1 0 418.538 2.716 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc3cc(Cl)ccc3n1)CCC2 ZINC001165001010 722252678 /nfs/dbraw/zinc/25/26/78/722252678.db2.gz YFOVKQPWHQJQIA-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO COC(=O)c1ccc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ccc2c1 ZINC001165001044 722253050 /nfs/dbraw/zinc/25/30/50/722253050.db2.gz ZROUQXZYLCVGGE-UHFFFAOYSA-N 1 0 423.517 2.706 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nnc(Cl)c3c1CCCC3)CCC2 ZINC001165000998 722253091 /nfs/dbraw/zinc/25/30/91/722253091.db2.gz XYIIVDOQILDGJQ-UHFFFAOYSA-N 1 0 404.946 2.694 20 0 HFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001165005986 722268197 /nfs/dbraw/zinc/26/81/97/722268197.db2.gz KXCUVHIZDPMKQR-DEOSSOPVSA-N 1 0 423.536 2.744 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cn1 ZINC000790468690 1078045527 /nfs/dbraw/zinc/04/55/27/1078045527.db2.gz RUKQVRPMALDKRC-XMSQKQJNSA-N 1 0 411.550 2.799 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)nc1Br ZINC000793008755 1078047118 /nfs/dbraw/zinc/04/71/18/1078047118.db2.gz IFSGYFLZEUZWCZ-CQSZACIVSA-N 1 0 411.344 2.575 20 0 HFADRO O[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)COc1ccc2c(c1)OCO2 ZINC000790531394 1078052371 /nfs/dbraw/zinc/05/23/71/1078052371.db2.gz OIPPJAPOTVTDGW-KRWDZBQOSA-N 1 0 415.877 2.843 20 0 HFADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000793034794 1078052535 /nfs/dbraw/zinc/05/25/35/1078052535.db2.gz RVCLLSSYSNVYQT-UHFFFAOYSA-N 1 0 423.286 2.512 20 0 HFADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)Nc1cccc(Cl)n1 ZINC000793039452 1078053672 /nfs/dbraw/zinc/05/36/72/1078053672.db2.gz MMERQPSLVRISSU-UHFFFAOYSA-N 1 0 404.923 2.904 20 0 HFADRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1OC ZINC000793046121 1078055602 /nfs/dbraw/zinc/05/56/02/1078055602.db2.gz ZAOLDQOFSINBDK-VFVRVIDISA-N 1 0 401.429 2.969 20 0 HFADRO O=C(c1nc(Br)ccc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000790571308 1078058094 /nfs/dbraw/zinc/05/80/94/1078058094.db2.gz JVTIICSFNIVZSJ-JTQLQIEISA-N 1 0 403.118 2.917 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N(CCO)Cc1cccnc1Cl ZINC000793023184 1078058661 /nfs/dbraw/zinc/05/86/61/1078058661.db2.gz VYOFYBJGCLOHOB-IBGZPJMESA-N 1 0 402.926 2.904 20 0 HFADRO O=C(Nc1cccc(Cl)n1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000793069942 1078062369 /nfs/dbraw/zinc/06/23/69/1078062369.db2.gz VAEZIEHZYHRMEQ-UHFFFAOYSA-N 1 0 404.820 2.595 20 0 HFADRO C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC(c3cccnc3)=NO2)CCOCC1)c1ccccc1 ZINC000790635433 1078070709 /nfs/dbraw/zinc/07/07/09/1078070709.db2.gz IKBGXHYHUIRVAK-DYESRHJHSA-N 1 0 408.502 2.591 20 0 HFADRO CCOC(=O)N1CCC([NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CC1 ZINC000790611611 1078075821 /nfs/dbraw/zinc/07/58/21/1078075821.db2.gz SSXRBMBGRJDCQR-JOCHJYFZSA-N 1 0 414.506 2.622 20 0 HFADRO C[NH+]1CCC(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000790613387 1078075856 /nfs/dbraw/zinc/07/58/56/1078075856.db2.gz FVBWZOIYROFRQP-UHFFFAOYSA-N 1 0 410.341 2.557 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790641711 1078090278 /nfs/dbraw/zinc/09/02/78/1078090278.db2.gz ADNOHFSTNGYDPP-MJGOQNOKSA-N 1 0 418.419 2.984 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C3(S(C)(=O)=O)CCC3)cc2Cl)CC1 ZINC000793169159 1078093736 /nfs/dbraw/zinc/09/37/36/1078093736.db2.gz TUYYJNUJGSXSJK-UHFFFAOYSA-N 1 0 413.971 2.778 20 0 HFADRO CC(C)(CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)C[NH+]1CCCC1 ZINC000790705136 1078101168 /nfs/dbraw/zinc/10/11/68/1078101168.db2.gz KLONTDMKEWHCJZ-UHFFFAOYSA-N 1 0 407.946 2.520 20 0 HFADRO Cc1ccc(CN2CC[C@H](NC(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)C2=O)cc1 ZINC000790698446 1078099145 /nfs/dbraw/zinc/09/91/45/1078099145.db2.gz RPSJZAVMHFFPRM-QFIPXVFZSA-N 1 0 408.546 2.999 20 0 HFADRO Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000790707698 1078102513 /nfs/dbraw/zinc/10/25/13/1078102513.db2.gz CILNEJSWPYMWBZ-QZTJIDSGSA-N 1 0 406.958 2.733 20 0 HFADRO COc1ccc(-n2cnn(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2=S)cn1 ZINC000772829144 1078106067 /nfs/dbraw/zinc/10/60/67/1078106067.db2.gz RNTGYXYDCCPBAE-MAUKXSAKSA-N 1 0 400.552 2.713 20 0 HFADRO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000790718074 1078107111 /nfs/dbraw/zinc/10/71/11/1078107111.db2.gz MXHAIPOGGQATOJ-QRFRQXIXSA-N 1 0 409.538 2.765 20 0 HFADRO COc1cccc2cc(C[NH2+][C@@H](C(=O)N(C)Cc3nnc4n3CCC4)C(C)C)oc21 ZINC000793247382 1078109493 /nfs/dbraw/zinc/10/94/93/1078109493.db2.gz NIKLBAXOMWRIKF-HXUWFJFHSA-N 1 0 411.506 2.752 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)c2nc(Br)ccc2Br)C[N@@H+]1C1CC1 ZINC000790761874 1078113346 /nfs/dbraw/zinc/11/33/46/1078113346.db2.gz YUEQBTXUAIFQDC-DTWKUNHWSA-N 1 0 403.118 2.962 20 0 HFADRO CC(C)COC(=O)N1CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000793265072 1078113688 /nfs/dbraw/zinc/11/36/88/1078113688.db2.gz FFMFTVNARDXKFF-MRXNPFEDSA-N 1 0 412.328 2.822 20 0 HFADRO COCCn1c(CCOc2ccccc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793289380 1078119175 /nfs/dbraw/zinc/11/91/75/1078119175.db2.gz QNCIMBFIJIQVMN-UHFFFAOYSA-N 1 0 421.545 2.868 20 0 HFADRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000790739452 1078120616 /nfs/dbraw/zinc/12/06/16/1078120616.db2.gz ZTEYLSGUSLUKCW-WGGBDISSSA-N 1 0 404.501 2.995 20 0 HFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790770563 1078129195 /nfs/dbraw/zinc/12/91/95/1078129195.db2.gz RTLSNXGLBQPUPX-IKGGRYGDSA-N 1 0 400.539 2.707 20 0 HFADRO Brc1nc(Br)n(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000772831224 1078137650 /nfs/dbraw/zinc/13/76/50/1078137650.db2.gz ZLQUCENMIAALLC-ZYHUDNBSSA-N 1 0 419.165 2.709 20 0 HFADRO COC(=O)[C@@]1(NC(=O)c2cnc(OC)c(Cl)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000790847314 1078146767 /nfs/dbraw/zinc/14/67/67/1078146767.db2.gz MLYYEOYQVPTSFG-OAQYLSRUSA-N 1 0 417.893 2.681 20 0 HFADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(F)(F)Cc3ccccc3)c2)C1 ZINC000793467220 1078181578 /nfs/dbraw/zinc/18/15/78/1078181578.db2.gz PZWCTZDHNFOXEE-FQEVSTJZSA-N 1 0 415.484 2.878 20 0 HFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C(F)(F)Cc3ccccc3)c2)C1 ZINC000793467221 1078181621 /nfs/dbraw/zinc/18/16/21/1078181621.db2.gz PZWCTZDHNFOXEE-HXUWFJFHSA-N 1 0 415.484 2.878 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793514749 1078196639 /nfs/dbraw/zinc/19/66/39/1078196639.db2.gz MDLNLUPTTGKCFN-RLLQIKCJSA-N 1 0 410.518 2.569 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cnc(Br)c(OC)c2)cc1 ZINC000793516810 1078197398 /nfs/dbraw/zinc/19/73/98/1078197398.db2.gz IIFSOJJNYYZZIN-OAHLLOKOSA-N 1 0 408.296 2.894 20 0 HFADRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000793519135 1078197982 /nfs/dbraw/zinc/19/79/82/1078197982.db2.gz BHCSRFLLCWLOJT-PWIZWCRZSA-N 1 0 417.550 2.856 20 0 HFADRO CC(C)C[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)[NH+](C)C ZINC000793499018 1078203324 /nfs/dbraw/zinc/20/33/24/1078203324.db2.gz ROWLZMSUJHPTIH-SLFFLAALSA-N 1 0 412.534 2.671 20 0 HFADRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2cc(C)nn2C)c1 ZINC000793543454 1078207258 /nfs/dbraw/zinc/20/72/58/1078207258.db2.gz UNULOFMOCPPDJV-CYBMUJFWSA-N 1 0 409.328 2.970 20 0 HFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793580146 1078213817 /nfs/dbraw/zinc/21/38/17/1078213817.db2.gz CAXXRDYKIRYNSV-DZFGPLHGSA-N 1 0 424.545 2.769 20 0 HFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793580154 1078213833 /nfs/dbraw/zinc/21/38/33/1078213833.db2.gz CAXXRDYKIRYNSV-UIFIKXQLSA-N 1 0 424.545 2.769 20 0 HFADRO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc(NC(C)=O)cc2F)[C@@H]1c1cncn1C ZINC000793580112 1078213859 /nfs/dbraw/zinc/21/38/59/1078213859.db2.gz HOLBHUNXKFQJNZ-FOIQADDNSA-N 1 0 416.453 2.813 20 0 HFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000793580157 1078213870 /nfs/dbraw/zinc/21/38/70/1078213870.db2.gz CAXXRDYKIRYNSV-YYWHXJBOSA-N 1 0 424.545 2.769 20 0 HFADRO COC(=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc(F)c2)c(Br)c1 ZINC000793584431 1078215227 /nfs/dbraw/zinc/21/52/27/1078215227.db2.gz OYELFOCJTYFPCN-HNNXBMFYSA-N 1 0 412.255 2.904 20 0 HFADRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793584533 1078215275 /nfs/dbraw/zinc/21/52/75/1078215275.db2.gz OFQCQOGLBMMHOB-AEFFLSMTSA-N 1 0 404.942 2.948 20 0 HFADRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1 ZINC000793606239 1078222931 /nfs/dbraw/zinc/22/29/31/1078222931.db2.gz JUZJWBZRDZBQHY-QHCPKHFHSA-N 1 0 407.470 2.988 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001170435980 1078228593 /nfs/dbraw/zinc/22/85/93/1078228593.db2.gz DIQBQQFFENLVTO-MTQWCTHYSA-N 1 0 400.519 2.742 20 0 HFADRO CC[N@H+](CCC1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)CC1)CC1CC1 ZINC000793655242 1078241976 /nfs/dbraw/zinc/24/19/76/1078241976.db2.gz VFCAYBHBJHMXRC-GOSISDBHSA-N 1 0 415.578 2.717 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000793650509 1078242028 /nfs/dbraw/zinc/24/20/28/1078242028.db2.gz KZKQAUCYFUFYNO-AVRDEDQJSA-N 1 0 423.557 2.773 20 0 HFADRO O=C(NCc1ccn(-c2ccccc2)n1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000793662685 1078244154 /nfs/dbraw/zinc/24/41/54/1078244154.db2.gz SOBPAOACAHBRTL-FQEVSTJZSA-N 1 0 423.561 2.603 20 0 HFADRO COCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793676104 1078250616 /nfs/dbraw/zinc/25/06/16/1078250616.db2.gz AVZPXXSDLDFPLL-ZWKOTPCHSA-N 1 0 409.571 2.593 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000793658068 1078259551 /nfs/dbraw/zinc/25/95/51/1078259551.db2.gz ZVANOMUSLKCLOG-DXIQSLLYSA-N 1 0 423.557 2.773 20 0 HFADRO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c2ccccc2O1 ZINC000793657852 1078259912 /nfs/dbraw/zinc/25/99/12/1078259912.db2.gz NFODGJHRHHWAGC-CRAIPNDOSA-N 1 0 403.523 2.988 20 0 HFADRO O=C(NCCCOCCc1ccccc1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793716549 1078263567 /nfs/dbraw/zinc/26/35/67/1078263567.db2.gz FONZHKBVAPWKFD-UHFFFAOYSA-N 1 0 415.578 2.665 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000793718253 1078263927 /nfs/dbraw/zinc/26/39/27/1078263927.db2.gz IDEKTVUKDBUQQK-YGWFNULRSA-N 1 0 423.557 2.661 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[NH+](C)C)cc1 ZINC000793719576 1078264808 /nfs/dbraw/zinc/26/48/08/1078264808.db2.gz LXYIWTFRTYIQTA-GOTSBHOMSA-N 1 0 423.557 2.998 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000793723274 1078266177 /nfs/dbraw/zinc/26/61/77/1078266177.db2.gz LYAMLKTZNUTOQJ-UONOGXRCSA-N 1 0 401.429 2.753 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000793692489 1078270003 /nfs/dbraw/zinc/27/00/03/1078270003.db2.gz ZNTBAFYKAGJGDF-MBOZVWFJSA-N 1 0 415.559 2.831 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793694666 1078271287 /nfs/dbraw/zinc/27/12/87/1078271287.db2.gz MJFSSGJVWOESJO-TZIWHRDSSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCc1csc(CCc2ccccc2)n1)[NH+]1CCCCC1 ZINC000793698367 1078272506 /nfs/dbraw/zinc/27/25/06/1078272506.db2.gz JSGQVQWMTMQPTE-QGZVFWFLSA-N 1 0 414.575 2.535 20 0 HFADRO Cc1ccc(C[C@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000793703064 1078274894 /nfs/dbraw/zinc/27/48/94/1078274894.db2.gz VXOFTQCQHKHKCA-KNQAVFIVSA-N 1 0 408.546 2.781 20 0 HFADRO COc1ccc(Cc2nn(CN3CC[C@@]4(CC[N@H+](C)C4)C3)c(=S)o2)cc1OC ZINC000793763626 1078281713 /nfs/dbraw/zinc/28/17/13/1078281713.db2.gz DDNBIEBXQDZNJQ-HXUWFJFHSA-N 1 0 404.536 2.799 20 0 HFADRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000747146285 1078285723 /nfs/dbraw/zinc/28/57/23/1078285723.db2.gz NOLJAGMOBIAGLM-RSPOEFSDSA-N 1 0 419.591 2.765 20 0 HFADRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000747146286 1078285751 /nfs/dbraw/zinc/28/57/51/1078285751.db2.gz NOLJAGMOBIAGLM-VBSBHUPXSA-N 1 0 419.591 2.765 20 0 HFADRO C[N@@H+]1CC[C@@]2(CCN(Cn3nc(CN4CCCC4)n(-c4ccccc4)c3=S)C2)C1 ZINC000793745139 1078288526 /nfs/dbraw/zinc/28/85/26/1078288526.db2.gz MLRYAMIQRSVCTC-JOCHJYFZSA-N 1 0 412.607 2.984 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000747148965 1078293853 /nfs/dbraw/zinc/29/38/53/1078293853.db2.gz DNFQZHZLTCAJCB-HKBOAZHASA-N 1 0 415.578 2.814 20 0 HFADRO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793787720 1078296467 /nfs/dbraw/zinc/29/64/67/1078296467.db2.gz WFXVTBHNTXGHHC-KRWDZBQOSA-N 1 0 419.541 2.870 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000793787867 1078296482 /nfs/dbraw/zinc/29/64/82/1078296482.db2.gz DJQVHXYUOHXDIL-IBGZPJMESA-N 1 0 423.598 2.983 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000793792510 1078298343 /nfs/dbraw/zinc/29/83/43/1078298343.db2.gz PIYUFKCKGXFTIJ-DXIQSLLYSA-N 1 0 409.530 2.515 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000793796098 1078300531 /nfs/dbraw/zinc/30/05/31/1078300531.db2.gz WTAJUGKWBHVSRA-OALUTQOASA-N 1 0 424.545 2.615 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000793776571 1078308979 /nfs/dbraw/zinc/30/89/79/1078308979.db2.gz CIEIZGXTLLEXMF-PCCBWWKXSA-N 1 0 415.578 2.992 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)CCC2 ZINC000793815114 1078315791 /nfs/dbraw/zinc/31/57/91/1078315791.db2.gz VVXDTMLVTCGSNY-NRJQMVOHSA-N 1 0 403.571 2.584 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)CCC2 ZINC000793815112 1078315871 /nfs/dbraw/zinc/31/58/71/1078315871.db2.gz VVXDTMLVTCGSNY-CDMIOBSGSA-N 1 0 403.571 2.584 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000793824695 1078318399 /nfs/dbraw/zinc/31/83/99/1078318399.db2.gz MEKZWIQOIATLOK-OAQYLSRUSA-N 1 0 421.557 2.582 20 0 HFADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000793877668 1078321734 /nfs/dbraw/zinc/32/17/34/1078321734.db2.gz ZMGQCDGJGOACEP-NRFANRHFSA-N 1 0 414.594 2.622 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)s1 ZINC000793850983 1078323385 /nfs/dbraw/zinc/32/33/85/1078323385.db2.gz QRBAPZUMIRRLRN-INIZCTEOSA-N 1 0 403.548 2.881 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)N(c1ncccn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001170438816 1078324721 /nfs/dbraw/zinc/32/47/21/1078324721.db2.gz VNTQDEWWEYPUOB-OALUTQOASA-N 1 0 410.518 2.944 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(c1ncccn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001170438818 1078324745 /nfs/dbraw/zinc/32/47/45/1078324745.db2.gz VNTQDEWWEYPUOB-RTBURBONSA-N 1 0 410.518 2.944 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c1 ZINC000793869631 1078328544 /nfs/dbraw/zinc/32/85/44/1078328544.db2.gz PEVIGEWQWKRYLS-UHFFFAOYSA-N 1 0 422.573 2.720 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000793867778 1078328561 /nfs/dbraw/zinc/32/85/61/1078328561.db2.gz RKAZAYYGACXDEJ-KRWDZBQOSA-N 1 0 407.580 2.633 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000793875477 1078330960 /nfs/dbraw/zinc/33/09/60/1078330960.db2.gz RLQYPXBIEAANSN-VJANTYMQSA-N 1 0 411.587 2.573 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000793900107 1078343997 /nfs/dbraw/zinc/34/39/97/1078343997.db2.gz FJDCBQOXHPIVRO-RBSFLKMASA-N 1 0 415.456 2.999 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000793900104 1078344049 /nfs/dbraw/zinc/34/40/49/1078344049.db2.gz FJDCBQOXHPIVRO-ILXRZTDVSA-N 1 0 415.456 2.999 20 0 HFADRO Cn1ccnc1[C@@](O)(CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000747163633 1078349247 /nfs/dbraw/zinc/34/92/47/1078349247.db2.gz JRSPBLUEUTUJHC-XLIONFOSSA-N 1 0 424.467 2.589 20 0 HFADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793972324 1078349944 /nfs/dbraw/zinc/34/99/44/1078349944.db2.gz WBQDKJMSCIZMCQ-PWRODBHTSA-N 1 0 422.529 2.711 20 0 HFADRO COCC1(C(=O)NCC2CC[NH+](C3CC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793972866 1078350122 /nfs/dbraw/zinc/35/01/22/1078350122.db2.gz VJGZQHKATGTNDF-UHFFFAOYSA-N 1 0 409.571 2.641 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793944294 1078353784 /nfs/dbraw/zinc/35/37/84/1078353784.db2.gz WMDLENGOZRAZRB-PMACEKPBSA-N 1 0 412.534 2.769 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000793945481 1078354078 /nfs/dbraw/zinc/35/40/78/1078354078.db2.gz DHECAKYGJSIZDY-VQTJNVASSA-N 1 0 407.599 2.526 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)ccn1 ZINC000793946426 1078354680 /nfs/dbraw/zinc/35/46/80/1078354680.db2.gz GNJDWGKPTRCKRA-OALUTQOASA-N 1 0 418.582 2.607 20 0 HFADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)ccn1 ZINC000793946428 1078354852 /nfs/dbraw/zinc/35/48/52/1078354852.db2.gz GNJDWGKPTRCKRA-RTBURBONSA-N 1 0 418.582 2.607 20 0 HFADRO COC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)cc1 ZINC000794051378 1078366247 /nfs/dbraw/zinc/36/62/47/1078366247.db2.gz PKZBOVFNXAPQCX-KRWDZBQOSA-N 1 0 403.504 2.937 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)c(C)cc1F ZINC000794052399 1078366423 /nfs/dbraw/zinc/36/64/23/1078366423.db2.gz VOTLWJNJLSQBAP-INIZCTEOSA-N 1 0 420.506 2.992 20 0 HFADRO O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NC1CC([NH+]2CCCCC2)C1 ZINC000794209289 1078393538 /nfs/dbraw/zinc/39/35/38/1078393538.db2.gz KFRLBWCIDDWBMB-UHFFFAOYSA-N 1 0 420.517 2.587 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001170444921 1078395901 /nfs/dbraw/zinc/39/59/01/1078395901.db2.gz VOBDXNNKSBQXAY-RBUKOAKNSA-N 1 0 400.519 2.697 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N(CCO)Cc2cccnc2Cl)cc1 ZINC000794323909 1078413579 /nfs/dbraw/zinc/41/35/79/1078413579.db2.gz WZUXGNUEDPLHAQ-JXMROGBWSA-N 1 0 403.910 2.710 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000794339080 1078419115 /nfs/dbraw/zinc/41/91/15/1078419115.db2.gz LMFMCUVKGXYIRJ-NRFANRHFSA-N 1 0 406.486 2.703 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000794387195 1078433575 /nfs/dbraw/zinc/43/35/75/1078433575.db2.gz WOLQMHQQSKWWGL-ZWKOTPCHSA-N 1 0 408.926 2.589 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000804389711 1078448249 /nfs/dbraw/zinc/44/82/49/1078448249.db2.gz WZUGPXPYVDJATJ-RVKKMQEKSA-N 1 0 403.498 2.651 20 0 HFADRO CC(C)Cc1ncnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1I ZINC000804396544 1078461601 /nfs/dbraw/zinc/46/16/01/1078461601.db2.gz JOIJKYYDCLHADK-STQMWFEESA-N 1 0 416.307 2.555 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)[NH+]2CCCC2)cc1 ZINC000747188318 1078468572 /nfs/dbraw/zinc/46/85/72/1078468572.db2.gz HDZRBDKOILERIW-WIYYLYMNSA-N 1 0 419.529 2.587 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000804429009 1078474511 /nfs/dbraw/zinc/47/45/11/1078474511.db2.gz ATXCNDLAOZDHOA-YOEHRIQHSA-N 1 0 423.989 2.763 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000804656977 1078491227 /nfs/dbraw/zinc/49/12/27/1078491227.db2.gz LBKFDXBVGUEOBT-XGCMIMOYSA-N 1 0 403.523 2.720 20 0 HFADRO COC(=O)c1cnc(Sc2nnc(C3CC[NH2+]CC3)n2C)cc1C(F)(F)F ZINC000804463315 1078504311 /nfs/dbraw/zinc/50/43/11/1078504311.db2.gz MSTCKYNQMKUVLE-UHFFFAOYSA-N 1 0 401.414 2.634 20 0 HFADRO O=C(C1=NO[C@H](c2ccccc2)C1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804446222 1078512355 /nfs/dbraw/zinc/51/23/55/1078512355.db2.gz BAFYWZKJXUQEBQ-VWNXMTODSA-N 1 0 418.541 2.923 20 0 HFADRO C[C@@](O)(CC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000804447533 1078515023 /nfs/dbraw/zinc/51/50/23/1078515023.db2.gz FMIUSTNKJPPLMU-UKILVPOCSA-N 1 0 407.558 2.703 20 0 HFADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC001170452420 1078520273 /nfs/dbraw/zinc/52/02/73/1078520273.db2.gz XRZAVKNYNHJRBN-OAQYLSRUSA-N 1 0 411.550 2.614 20 0 HFADRO CC[C@H]1CC([NH2+]C2CCN(S(C)(=O)=O)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170462586 1078529119 /nfs/dbraw/zinc/52/91/19/1078529119.db2.gz DNCYMAATLBVKLT-ROUUACIJSA-N 1 0 417.616 2.957 20 0 HFADRO Cc1nc(-c2ccc(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)s2)cs1 ZINC001129853408 1078535094 /nfs/dbraw/zinc/53/50/94/1078535094.db2.gz YFEGVFAKWWSAAS-UHFFFAOYSA-N 1 0 420.604 2.706 20 0 HFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000804696014 1078538221 /nfs/dbraw/zinc/53/82/21/1078538221.db2.gz BLVNNYUTFRLGDE-FOIQADDNSA-N 1 0 409.534 2.524 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000804698312 1078539405 /nfs/dbraw/zinc/53/94/05/1078539405.db2.gz XTAVPHHZPHQDIO-OAHLLOKOSA-N 1 0 400.523 2.586 20 0 HFADRO CO[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@@H]1CCOC1 ZINC001129564803 1078558993 /nfs/dbraw/zinc/55/89/93/1078558993.db2.gz ZRQIGJLIGYWYPC-PNJWGLBASA-N 1 0 412.505 2.961 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000804523502 1078562599 /nfs/dbraw/zinc/56/25/99/1078562599.db2.gz UHONMPRKRULLCC-GJZGRUSLSA-N 1 0 408.568 2.909 20 0 HFADRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC001129571748 1078564753 /nfs/dbraw/zinc/56/47/53/1078564753.db2.gz LQILVBDIZVUTCT-MSOLQXFVSA-N 1 0 414.550 2.840 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000804527711 1078566526 /nfs/dbraw/zinc/56/65/26/1078566526.db2.gz RTYWOORCLASBFK-WMZOPIPTSA-N 1 0 420.517 2.539 20 0 HFADRO CC1=C(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[C@@H](C)n2ncnc2N1C ZINC000804533265 1078569633 /nfs/dbraw/zinc/56/96/33/1078569633.db2.gz AWRAQQXXDMQXIK-WZONZLPQSA-N 1 0 406.534 2.688 20 0 HFADRO CC1=C(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[C@H](C)n2ncnc2N1C ZINC000804533262 1078569699 /nfs/dbraw/zinc/56/96/99/1078569699.db2.gz AWRAQQXXDMQXIK-FDDCHVKYSA-N 1 0 406.534 2.688 20 0 HFADRO O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804534186 1078570885 /nfs/dbraw/zinc/57/08/85/1078570885.db2.gz DUKIRANLYKIXMI-FXAWDEMLSA-N 1 0 409.452 2.664 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000804553000 1078579268 /nfs/dbraw/zinc/57/92/68/1078579268.db2.gz XUJHIHLOOWGKFI-MBNRZODZSA-N 1 0 400.441 2.946 20 0 HFADRO CC[NH+](CC)[C@H](C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1)c1ccccc1 ZINC001129610818 1078581514 /nfs/dbraw/zinc/58/15/14/1078581514.db2.gz CUBBHQSOUGFZQA-LPHOPBHVSA-N 1 0 400.548 2.899 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccn2c(I)cnc12 ZINC000804777645 1078601789 /nfs/dbraw/zinc/60/17/89/1078601789.db2.gz BYVSPBKJIOTTSX-LBPRGKRZSA-N 1 0 412.275 2.543 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(Cl)c1I ZINC000804778100 1078603403 /nfs/dbraw/zinc/60/34/03/1078603403.db2.gz QZIFXILJNKNHIA-JTQLQIEISA-N 1 0 407.683 2.944 20 0 HFADRO COc1nn(C)cc1C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129612325 1078618822 /nfs/dbraw/zinc/61/88/22/1078618822.db2.gz WAMYZOHDLAAHGE-UHFFFAOYSA-N 1 0 417.941 2.509 20 0 HFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)sc2C1 ZINC001129951070 1078626367 /nfs/dbraw/zinc/62/63/67/1078626367.db2.gz HYKBWVGIMPCAFW-VHSXEESVSA-N 1 0 404.458 2.553 20 0 HFADRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)sc2C1 ZINC001129951071 1078626423 /nfs/dbraw/zinc/62/64/23/1078626423.db2.gz HYKBWVGIMPCAFW-ZJUUUORDSA-N 1 0 404.458 2.553 20 0 HFADRO CN(C(=O)CCNC(=O)OCC(F)(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129680099 1078644179 /nfs/dbraw/zinc/64/41/79/1078644179.db2.gz VGPHLESEZUVQHA-UHFFFAOYSA-N 1 0 407.355 2.540 20 0 HFADRO COC[C@]1(CNC(=O)c2sccc2C[NH+](C)C)CCCN1C(=O)OC(C)(C)C ZINC000804790611 1078646015 /nfs/dbraw/zinc/64/60/15/1078646015.db2.gz FTQMQXRBJGOJSE-HXUWFJFHSA-N 1 0 411.568 2.956 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccnc(N2CCCCC2)n1 ZINC001129971241 1078665208 /nfs/dbraw/zinc/66/52/08/1078665208.db2.gz ZVNQPWUKGICISK-IFMALSPDSA-N 1 0 423.561 2.734 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000804833134 1078674350 /nfs/dbraw/zinc/67/43/50/1078674350.db2.gz HVEYXVRQXJYKTR-RUZDIDTESA-N 1 0 422.573 2.930 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2csc(-c3ccc(O)cc3)n2)CC1 ZINC000804626324 1078676530 /nfs/dbraw/zinc/67/65/30/1078676530.db2.gz HFDMQSKCGWAABB-UHFFFAOYSA-N 1 0 419.547 2.715 20 0 HFADRO COc1cccc(/C=C(\C(=O)N(C)CCC[N@H+](C)Cc2ccco2)n2nnnc2C)c1 ZINC000804869921 1078693309 /nfs/dbraw/zinc/69/33/09/1078693309.db2.gz INQOARXSPOUCTR-RCCKNPSSSA-N 1 0 424.505 2.562 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3ccnc4ccccc43)cc2)CC1 ZINC001129740383 1078709623 /nfs/dbraw/zinc/70/96/23/1078709623.db2.gz AQPFOODNCKMPCU-UHFFFAOYSA-N 1 0 402.498 2.862 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3cc(C(F)(F)F)ccn3)cc2)CC1 ZINC001129742653 1078714941 /nfs/dbraw/zinc/71/49/41/1078714941.db2.gz NKGANTJBIRPZCB-UHFFFAOYSA-N 1 0 420.435 2.728 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000804906068 1078729565 /nfs/dbraw/zinc/72/95/65/1078729565.db2.gz DMSRXYSUIFYOCB-IBGZPJMESA-N 1 0 413.440 2.919 20 0 HFADRO Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000804944962 1078774482 /nfs/dbraw/zinc/77/44/82/1078774482.db2.gz LSYLKJSZOXEADN-KSFYIVLOSA-N 1 0 421.545 2.620 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000804976615 1078811860 /nfs/dbraw/zinc/81/18/60/1078811860.db2.gz HTTQBLKDZAZAGE-GMBSWORKSA-N 1 0 413.440 2.959 20 0 HFADRO CN(C1CC[NH+](CCc2ccccn2)CC1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804977454 1078812832 /nfs/dbraw/zinc/81/28/32/1078812832.db2.gz XGYALXUPLCKVEQ-UHFFFAOYSA-N 1 0 412.918 2.597 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000805052477 1078866069 /nfs/dbraw/zinc/86/60/69/1078866069.db2.gz XPBHZLHXAUMCKS-UHFFFAOYSA-N 1 0 407.939 2.633 20 0 HFADRO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1OC ZINC000805098788 1078885985 /nfs/dbraw/zinc/88/59/85/1078885985.db2.gz MOPQTEMBBPYQRZ-PHSGOXPASA-N 1 0 402.539 2.529 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000805099335 1078886446 /nfs/dbraw/zinc/88/64/46/1078886446.db2.gz HLPGVPPEJOKPAO-SEJPIABJSA-N 1 0 414.550 2.960 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000747228111 1078900885 /nfs/dbraw/zinc/90/08/85/1078900885.db2.gz ANWXBCUZAZZQEB-LJQANCHMSA-N 1 0 409.571 2.594 20 0 HFADRO Cc1nc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(Br)n1C ZINC000805087788 1078916217 /nfs/dbraw/zinc/91/62/17/1078916217.db2.gz PMFADSALXKOFIO-CQSZACIVSA-N 1 0 419.389 2.566 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000805123992 1078921908 /nfs/dbraw/zinc/92/19/08/1078921908.db2.gz DLTITIIRQPDUNZ-KRWDZBQOSA-N 1 0 402.539 2.990 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(NC(=O)OC)c2)[C@@H](C)C1 ZINC000805124515 1078923038 /nfs/dbraw/zinc/92/30/38/1078923038.db2.gz OTISDUVQQUIHQK-LPHOPBHVSA-N 1 0 406.527 2.801 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000805139356 1078936585 /nfs/dbraw/zinc/93/65/85/1078936585.db2.gz REGHGKLGRLFQLE-REWPJTCUSA-N 1 0 414.594 2.619 20 0 HFADRO C[C@@]1(F)CCCCN(C(=O)[C@@H]([NH3+])Cc2ccc(I)cc2)C1 ZINC001157913816 1078945090 /nfs/dbraw/zinc/94/50/90/1078945090.db2.gz BGNNQIDSABSERG-GOEBONIOSA-N 1 0 404.267 2.902 20 0 HFADRO O=C(COc1ccc(C2SCCCS2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747230934 1078945464 /nfs/dbraw/zinc/94/54/64/1078945464.db2.gz DBQUIUUHDRWMIG-SJLPKXTDSA-N 1 0 408.589 2.914 20 0 HFADRO CS[C@@H]1CC[C@H](NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000805159307 1078951402 /nfs/dbraw/zinc/95/14/02/1078951402.db2.gz LKGXTUDPZLPXRH-PCCBWWKXSA-N 1 0 402.608 2.872 20 0 HFADRO C[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805169685 1078957284 /nfs/dbraw/zinc/95/72/84/1078957284.db2.gz QXKVTVQYHDDXNB-ZQIUZPCESA-N 1 0 418.504 2.880 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000805170546 1078957685 /nfs/dbraw/zinc/95/76/85/1078957685.db2.gz HOPGRBNJOFKOPE-PXNSSMCTSA-N 1 0 402.539 2.675 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000805198910 1078971745 /nfs/dbraw/zinc/97/17/45/1078971745.db2.gz VHWMULYDJLLNGH-DQEYMECFSA-N 1 0 423.557 2.571 20 0 HFADRO COC(=O)c1cnc([C@@H](C)NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)s1 ZINC001130117223 1078987129 /nfs/dbraw/zinc/98/71/29/1078987129.db2.gz DEUPGOHULMFAHA-DNGMOHDESA-N 1 0 403.504 2.761 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000805274955 1079004521 /nfs/dbraw/zinc/00/45/21/1079004521.db2.gz XMXTYDWIQCKRJB-XLIONFOSSA-N 1 0 402.539 2.675 20 0 HFADRO Cc1cccc(-n2ncc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2C(F)(F)F)c1 ZINC000747235898 1079004607 /nfs/dbraw/zinc/00/46/07/1079004607.db2.gz JDVFDYXMPDKMOA-CVEARBPZSA-N 1 0 408.424 2.793 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000747236685 1079011809 /nfs/dbraw/zinc/01/18/09/1079011809.db2.gz NUJSXPFXUKUCJT-QWHCGFSZSA-N 1 0 412.387 2.623 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000805331192 1079021434 /nfs/dbraw/zinc/02/14/34/1079021434.db2.gz HHEAYQVOJBBGMZ-KBXCAEBGSA-N 1 0 411.955 2.579 20 0 HFADRO CC[C@@H]1CC([NH2+]CCN2CCCS2(=O)=O)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170479789 1079019487 /nfs/dbraw/zinc/01/94/87/1079019487.db2.gz SRAJHEUQSBNXPN-IAGOWNOFSA-N 1 0 403.589 2.568 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000805332879 1079022675 /nfs/dbraw/zinc/02/26/75/1079022675.db2.gz BWFBOFAIAJHFCX-CJNGLKHVSA-N 1 0 404.312 2.729 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000805332333 1079023073 /nfs/dbraw/zinc/02/30/73/1079023073.db2.gz RFTMYHRXUZIBBI-FUHWJXTLSA-N 1 0 420.554 2.618 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc2ncc(I)n2c1 ZINC000805335510 1079024428 /nfs/dbraw/zinc/02/44/28/1079024428.db2.gz ORVLPMCCHKVXFC-GXTWGEPZSA-N 1 0 424.286 2.638 20 0 HFADRO CC(C)Cc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2F)[NH+](C)C)cc1 ZINC000805309449 1079031605 /nfs/dbraw/zinc/03/16/05/1079031605.db2.gz PCIGILCNZCPZLB-FQEVSTJZSA-N 1 0 421.538 2.704 20 0 HFADRO CC(C)Cc1ccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2F)[NH+](C)C)cc1 ZINC000805309450 1079031906 /nfs/dbraw/zinc/03/19/06/1079031906.db2.gz PCIGILCNZCPZLB-HXUWFJFHSA-N 1 0 421.538 2.704 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(Cl)cc1Cl ZINC000747240486 1079041594 /nfs/dbraw/zinc/04/15/94/1079041594.db2.gz LVVGVIPEXOTHGW-UHFFFAOYSA-N 1 0 407.319 2.685 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC000747246140 1079103964 /nfs/dbraw/zinc/10/39/64/1079103964.db2.gz AXUPSSZMOFYUAH-GJZGRUSLSA-N 1 0 400.516 2.649 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)cc1Cl ZINC000805446813 1079098574 /nfs/dbraw/zinc/09/85/74/1079098574.db2.gz XNGVVXAQJSTGLX-UHFFFAOYSA-N 1 0 422.017 2.760 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1F ZINC000747246142 1079104089 /nfs/dbraw/zinc/10/40/89/1079104089.db2.gz AXUPSSZMOFYUAH-HUUCEWRRSA-N 1 0 400.516 2.649 20 0 HFADRO CC(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[nH]1 ZINC001130224862 1079107857 /nfs/dbraw/zinc/10/78/57/1079107857.db2.gz FZTXAAKVTXNHOW-FKSLSLAPSA-N 1 0 403.571 2.755 20 0 HFADRO COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000805572047 1079143703 /nfs/dbraw/zinc/14/37/03/1079143703.db2.gz VXTYITFWNCWZAD-ZBFHGGJFSA-N 1 0 411.445 2.844 20 0 HFADRO COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC001130259466 1079148432 /nfs/dbraw/zinc/14/84/32/1079148432.db2.gz DXLXYCSGRRPXKZ-ZIFCJYIRSA-N 1 0 405.539 2.587 20 0 HFADRO CNC(=O)c1cncc(/C=C/C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001130257194 1079146090 /nfs/dbraw/zinc/14/60/90/1079146090.db2.gz MUCAZIMHHFPKIK-CZQLGGELSA-N 1 0 406.530 2.966 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)ccc1F ZINC000747250058 1079146742 /nfs/dbraw/zinc/14/67/42/1079146742.db2.gz HKPJNCMNDLMIFK-UHFFFAOYSA-N 1 0 412.458 2.504 20 0 HFADRO COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC001130301390 1079193305 /nfs/dbraw/zinc/19/33/05/1079193305.db2.gz MTUQTOGQYFITCI-OIISXLGYSA-N 1 0 405.926 2.835 20 0 HFADRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)/C=C/c2ccc(F)cc2)c2ccccc2)CC1 ZINC000747262877 1079201675 /nfs/dbraw/zinc/20/16/75/1079201675.db2.gz JRQLRJZDNXWJPE-RBNQXFGJSA-N 1 0 403.523 2.705 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc(Cl)nc4c3CC(=O)N4)cc2)CC1 ZINC001170486093 1079206581 /nfs/dbraw/zinc/20/65/81/1079206581.db2.gz CSCOXXGLFCFOOP-IYXRBSQSSA-N 1 0 413.909 2.601 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000805747838 1079229472 /nfs/dbraw/zinc/22/94/72/1079229472.db2.gz HVDDFTLPKBXBDB-HKUYNNGSSA-N 1 0 409.571 2.783 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000805741405 1079243649 /nfs/dbraw/zinc/24/36/49/1079243649.db2.gz DMWJDMDKUUGNOQ-OAQYLSRUSA-N 1 0 401.551 2.509 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805774558 1079246483 /nfs/dbraw/zinc/24/64/83/1079246483.db2.gz NFUGGYHZXNKBMI-OAHLLOKOSA-N 1 0 424.929 2.758 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000805832364 1079271895 /nfs/dbraw/zinc/27/18/95/1079271895.db2.gz WACBOKHVOPSNOO-WMZOPIPTSA-N 1 0 408.568 2.909 20 0 HFADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000805832923 1079273333 /nfs/dbraw/zinc/27/33/33/1079273333.db2.gz NJHBDJVNYYWAPI-XWAFYUISSA-N 1 0 408.520 2.643 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000805765667 1079265927 /nfs/dbraw/zinc/26/59/27/1079265927.db2.gz OBYXJONASRLXGY-FHWLQOOXSA-N 1 0 409.571 2.926 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000805765694 1079265991 /nfs/dbraw/zinc/26/59/91/1079265991.db2.gz OOSXILUPXSOYQQ-MOPGFXCFSA-N 1 0 417.550 2.876 20 0 HFADRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000805817291 1079290372 /nfs/dbraw/zinc/29/03/72/1079290372.db2.gz HGBDZYXUCDYTBI-UHFFFAOYSA-N 1 0 423.561 2.529 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc(-c4cccnc4)ncn3)cc2)CC1 ZINC001170489682 1079294620 /nfs/dbraw/zinc/29/46/20/1079294620.db2.gz LBRVMDCQJRCICC-WWDZGPRUSA-N 1 0 402.502 2.910 20 0 HFADRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000805827501 1079297757 /nfs/dbraw/zinc/29/77/57/1079297757.db2.gz KXFXCTVMFBGVOV-GJZGRUSLSA-N 1 0 419.291 2.538 20 0 HFADRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)c1OC ZINC000805831722 1079300734 /nfs/dbraw/zinc/30/07/34/1079300734.db2.gz KPARJPCKMOJENU-LBPRGKRZSA-N 1 0 417.531 2.951 20 0 HFADRO COC[C@]1(CNC(=O)N(C)CC2([NH+](C)C)CCC2)CCCN1C(=O)OC(C)(C)C ZINC000805859985 1079307768 /nfs/dbraw/zinc/30/77/68/1079307768.db2.gz XCFDMQNMRDGMQA-OAQYLSRUSA-N 1 0 412.575 2.528 20 0 HFADRO COC[C@]1(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000805862424 1079308941 /nfs/dbraw/zinc/30/89/41/1079308941.db2.gz XIYZYZLGGDIPTO-KGVIQGDOSA-N 1 0 424.586 2.671 20 0 HFADRO CCOC(=O)c1sc2nc(C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)nc(N)c2c1C ZINC001170490470 1079317188 /nfs/dbraw/zinc/31/71/88/1079317188.db2.gz MHINHYCDCHSMST-CZUORRHYSA-N 1 0 404.536 2.645 20 0 HFADRO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170490498 1079317537 /nfs/dbraw/zinc/31/75/37/1079317537.db2.gz MWXWOIWDYFCEDS-WBVHZDCISA-N 1 0 414.331 2.876 20 0 HFADRO Cc1cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)cnc1N1CCOCC1 ZINC001170492600 1079325262 /nfs/dbraw/zinc/32/52/62/1079325262.db2.gz ADMWCWCUFBSHPS-XEVCZEQESA-N 1 0 423.561 2.598 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)COc2ccc(Br)cc2F)C(C)(C)C1 ZINC001130416707 1079335134 /nfs/dbraw/zinc/33/51/34/1079335134.db2.gz AGLIGLPPEHQEOT-UHFFFAOYSA-N 1 0 403.292 2.536 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000805940797 1079343777 /nfs/dbraw/zinc/34/37/77/1079343777.db2.gz CNABHOLNDKYTDC-XXBNENTESA-N 1 0 423.557 2.595 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)cc1Cl ZINC000747279228 1079348313 /nfs/dbraw/zinc/34/83/13/1079348313.db2.gz VXCRHHBRHGUROT-GFCCVEGCSA-N 1 0 421.346 2.886 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1F ZINC000747281653 1079352714 /nfs/dbraw/zinc/35/27/14/1079352714.db2.gz HPFGCJMAVHJFRX-HNNXBMFYSA-N 1 0 408.495 2.801 20 0 HFADRO C[C@H](CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)[N@H+](C)Cc1ccccc1 ZINC000747281771 1079352760 /nfs/dbraw/zinc/35/27/60/1079352760.db2.gz ICNYYENQQBZOAT-MRXNPFEDSA-N 1 0 400.500 2.982 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1F ZINC000747282292 1079355559 /nfs/dbraw/zinc/35/55/59/1079355559.db2.gz MRTNWKKDHQRDGN-MRXNPFEDSA-N 1 0 406.479 2.507 20 0 HFADRO C[C@@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001130455003 1079378959 /nfs/dbraw/zinc/37/89/59/1079378959.db2.gz RYHXUFJTEIWLKB-GUDVDZBRSA-N 1 0 406.530 2.850 20 0 HFADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001130458887 1079382695 /nfs/dbraw/zinc/38/26/95/1079382695.db2.gz WTKQYZBBRJZIND-UVPKRVSESA-N 1 0 405.542 2.954 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cc1 ZINC000747284155 1079384247 /nfs/dbraw/zinc/38/42/47/1079384247.db2.gz XHUGPYUKDRGXLB-YPNIWSFNSA-N 1 0 414.527 2.768 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(C(N)=O)c4[nH]ccc43)cc2)CC1 ZINC001170495765 1079391017 /nfs/dbraw/zinc/39/10/17/1079391017.db2.gz CYWWBSLRJLQZNI-QQFBHYJXSA-N 1 0 405.502 2.638 20 0 HFADRO Cc1cccc(F)c1CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000805995099 1079395586 /nfs/dbraw/zinc/39/55/86/1079395586.db2.gz RBZPDASPMSDTDT-UHFFFAOYSA-N 1 0 413.493 2.541 20 0 HFADRO COC(=O)c1nc2cccc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)c2o1 ZINC001170499620 1079437092 /nfs/dbraw/zinc/43/70/92/1079437092.db2.gz GWAMUJAZKXBBLU-QQFBHYJXSA-N 1 0 422.485 2.986 20 0 HFADRO CCc1ncc(Cl)c(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001130527165 1079436468 /nfs/dbraw/zinc/43/64/68/1079436468.db2.gz ANVHXZJXDWRZDT-ZWKOTPCHSA-N 1 0 400.910 2.808 20 0 HFADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000806170716 1079461477 /nfs/dbraw/zinc/46/14/77/1079461477.db2.gz AEXSPKMKPQLNCS-JWTNVVGKSA-N 1 0 408.568 2.854 20 0 HFADRO Cn1nc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1C(F)(F)F ZINC001130527861 1079464400 /nfs/dbraw/zinc/46/44/00/1079464400.db2.gz IZTLZSLYGSRCGQ-SJORKVTESA-N 1 0 408.424 2.554 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806144732 1079466150 /nfs/dbraw/zinc/46/61/50/1079466150.db2.gz TYYRJFANKHTKIT-MRXNPFEDSA-N 1 0 408.930 2.829 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000806167986 1079475895 /nfs/dbraw/zinc/47/58/95/1079475895.db2.gz QCFDDQSUFBZIPF-IVAOSVALSA-N 1 0 404.551 2.984 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000806182848 1079477171 /nfs/dbraw/zinc/47/71/71/1079477171.db2.gz FCNPVGJSYUTOCG-HKUYNNGSSA-N 1 0 413.543 2.927 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806183924 1079477505 /nfs/dbraw/zinc/47/75/05/1079477505.db2.gz ZFQBUZOEHIWCHK-JENIJYKNSA-N 1 0 423.579 2.685 20 0 HFADRO C[C@H]1CN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001137551705 1079478300 /nfs/dbraw/zinc/47/83/00/1079478300.db2.gz OAGLIADSVXLINB-JSGCOSHPSA-N 1 0 404.864 2.852 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc4c(c3)CNC(=O)N4C)cc2)CC1 ZINC001170501134 1079487366 /nfs/dbraw/zinc/48/73/66/1079487366.db2.gz VAZQYUPKRGILQK-KLAILNCOSA-N 1 0 407.518 2.718 20 0 HFADRO CC(C)N(C)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1F ZINC000806210517 1079495444 /nfs/dbraw/zinc/49/54/44/1079495444.db2.gz SJAFKLQKASXPLH-AYHJJNSGSA-N 1 0 419.545 2.875 20 0 HFADRO O=C(Nc1ccc(-n2nccn2)nc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000806212404 1079497098 /nfs/dbraw/zinc/49/70/98/1079497098.db2.gz PDVGYJPGAWJPSR-QFIPXVFZSA-N 1 0 403.490 2.792 20 0 HFADRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000746676207 1076750547 /nfs/dbraw/zinc/75/05/47/1076750547.db2.gz IEOYNXSHOABBAV-PKOBYXMFSA-N 1 0 412.534 2.616 20 0 HFADRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(S(=O)(=O)C(F)F)cc2)[C@H](C)C1 ZINC000787303307 1076752057 /nfs/dbraw/zinc/75/20/57/1076752057.db2.gz KYDWMALSXHAFDZ-QAPCUYQASA-N 1 0 404.523 2.910 20 0 HFADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787370713 1076777781 /nfs/dbraw/zinc/77/77/81/1076777781.db2.gz CJUJZJBGVPGZPY-HZPDHXFCSA-N 1 0 405.543 2.548 20 0 HFADRO C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000746677668 1076792111 /nfs/dbraw/zinc/79/21/11/1076792111.db2.gz SDGIANYKBAKLEH-CVEARBPZSA-N 1 0 400.548 2.770 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 ZINC000787354260 1076794732 /nfs/dbraw/zinc/79/47/32/1076794732.db2.gz SSRRUEVMUKMNMT-UHFFFAOYSA-N 1 0 418.538 2.546 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CC[C@H](Cc4cnn(C)c4)C3)cc2)C[C@@H](C)O1 ZINC000746679116 1076795400 /nfs/dbraw/zinc/79/54/00/1076795400.db2.gz OAVCRJANBZCFNQ-GUDVDZBRSA-N 1 0 411.550 2.537 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)[C@@H](C)C1 ZINC000787387539 1076804569 /nfs/dbraw/zinc/80/45/69/1076804569.db2.gz MMVMTQPGLHURHS-BXWFABGCSA-N 1 0 419.570 2.936 20 0 HFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787396235 1076807077 /nfs/dbraw/zinc/80/70/77/1076807077.db2.gz YAGYDGQOAZYVGU-DLBZAZTESA-N 1 0 419.570 2.938 20 0 HFADRO C[NH+]1CCC2(CCCN2C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787490802 1076823966 /nfs/dbraw/zinc/82/39/66/1076823966.db2.gz SUCZLULQESPNSC-INIZCTEOSA-N 1 0 417.554 2.835 20 0 HFADRO C[C@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1=CC[N@H+](C)CC1 ZINC000787511916 1076830931 /nfs/dbraw/zinc/83/09/31/1076830931.db2.gz ZYEGEJGAGIOXBQ-GOEBONIOSA-N 1 0 403.527 2.514 20 0 HFADRO C[NH+](C)C1(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)CCC1 ZINC000787467787 1076833776 /nfs/dbraw/zinc/83/37/76/1076833776.db2.gz HCJRIUKIQKWRAW-UHFFFAOYSA-N 1 0 414.333 2.527 20 0 HFADRO C[NH+](C)CC1CCC(NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787468739 1076833966 /nfs/dbraw/zinc/83/39/66/1076833966.db2.gz OKAPUMQQUGNSOG-AQFXKWCLSA-N 1 0 419.570 2.984 20 0 HFADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C[C@@H](O)c2cccc(F)c2)CC1 ZINC000772702214 1076846838 /nfs/dbraw/zinc/84/68/38/1076846838.db2.gz MFALDKSLCGMYOM-OAQYLSRUSA-N 1 0 415.509 2.538 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCc2c(F)cccc2C1)c1ccsc1 ZINC000787616530 1076880071 /nfs/dbraw/zinc/88/00/71/1076880071.db2.gz NNFWBKQSXIPDFG-IBGZPJMESA-N 1 0 403.523 2.971 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1cc(C)cc(Cl)n1)c1ccsc1 ZINC000787618519 1076880796 /nfs/dbraw/zinc/88/07/96/1076880796.db2.gz XQPGJDGDDSPIBR-INIZCTEOSA-N 1 0 408.955 2.920 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1c1cc(C)on1)Cc1ccccc1 ZINC000787623617 1076882395 /nfs/dbraw/zinc/88/23/95/1076882395.db2.gz AZIGLCUFRWDIID-CTNGQTDRSA-N 1 0 412.534 2.716 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)no1 ZINC000787626739 1076882925 /nfs/dbraw/zinc/88/29/25/1076882925.db2.gz OPMUICUOSKGOAI-FQEVSTJZSA-N 1 0 410.518 2.600 20 0 HFADRO Cc1csc([C@@](O)(CC(=O)OCCCN2CC[NH+](C(C)C)CC2)C(F)(F)F)n1 ZINC000787605304 1076889321 /nfs/dbraw/zinc/88/93/21/1076889321.db2.gz AOCLOPZNWWHKDM-KRWDZBQOSA-N 1 0 423.501 2.551 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC000787640767 1076892825 /nfs/dbraw/zinc/89/28/25/1076892825.db2.gz XLYNKXVMBVNWMR-QKLQHJQFSA-N 1 0 412.534 2.624 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)CCC2 ZINC000787642395 1076893363 /nfs/dbraw/zinc/89/33/63/1076893363.db2.gz WOERHEIMJSTTRL-DLBZAZTESA-N 1 0 404.511 2.503 20 0 HFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000787672465 1076906282 /nfs/dbraw/zinc/90/62/82/1076906282.db2.gz SMFIAOOYACXHSG-RDJZCZTQSA-N 1 0 411.468 2.869 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000746701881 1076906294 /nfs/dbraw/zinc/90/62/94/1076906294.db2.gz KOGDTZDEPGCTOV-DFBGVHRSSA-N 1 0 415.968 2.822 20 0 HFADRO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000787684278 1076910362 /nfs/dbraw/zinc/91/03/62/1076910362.db2.gz LIWOKBYQGIPLFC-QHCPKHFHSA-N 1 0 406.486 2.785 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000787688166 1076912112 /nfs/dbraw/zinc/91/21/12/1076912112.db2.gz ZQKOWIQVBGPDHX-AUUYWEPGSA-N 1 0 400.441 2.625 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCc3ccccc3C1)CCC2 ZINC000787707296 1076919807 /nfs/dbraw/zinc/91/98/07/1076919807.db2.gz DAXQXGUJBIKJEE-LJQANCHMSA-N 1 0 412.559 2.510 20 0 HFADRO C[C@@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nc2ccccc2s1 ZINC000787708152 1076920823 /nfs/dbraw/zinc/92/08/23/1076920823.db2.gz RZDFWEJWLCQWPC-BZUAXINKSA-N 1 0 402.564 2.958 20 0 HFADRO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2)CC1 ZINC000787750048 1076926122 /nfs/dbraw/zinc/92/61/22/1076926122.db2.gz BNYNZCFLTDPJHA-GOSISDBHSA-N 1 0 417.531 2.608 20 0 HFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000787751929 1076927023 /nfs/dbraw/zinc/92/70/23/1076927023.db2.gz QTTXTPBRDDJRPY-OXQOHEQNSA-N 1 0 421.969 2.603 20 0 HFADRO CC(C)(C)OC(=O)N1CC([NH2+][C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000787754319 1076927943 /nfs/dbraw/zinc/92/79/43/1076927943.db2.gz LMOCPRAJEOBTSU-IRXDYDNUSA-N 1 0 411.543 2.610 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H]([NH2+]CCCNC(=O)c2cccs2)C2CC2)C1 ZINC000787762592 1076930439 /nfs/dbraw/zinc/93/04/39/1076930439.db2.gz LTCHOUBQSRFHJH-AEFFLSMTSA-N 1 0 423.579 2.872 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+]CCCNC(=O)c2cccs2)C2CC2)C1 ZINC000787762594 1076930485 /nfs/dbraw/zinc/93/04/85/1076930485.db2.gz LTCHOUBQSRFHJH-FUHWJXTLSA-N 1 0 423.579 2.872 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2COc3cc(OC)ccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787766525 1076931304 /nfs/dbraw/zinc/93/13/04/1076931304.db2.gz UKOJRPPMVXQBJQ-WDYCEAGBSA-N 1 0 420.506 2.529 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@@H]2COc3cc(OC)ccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787766520 1076931343 /nfs/dbraw/zinc/93/13/43/1076931343.db2.gz UKOJRPPMVXQBJQ-IEZWGBDMSA-N 1 0 420.506 2.529 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@](C)(O)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000787768045 1076941382 /nfs/dbraw/zinc/94/13/82/1076941382.db2.gz XTOZYUUUHUIHIF-FIKGOQFSSA-N 1 0 410.486 2.564 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000787769922 1076941946 /nfs/dbraw/zinc/94/19/46/1076941946.db2.gz WWGVRWJBKQUCFN-UHFFFAOYSA-N 1 0 401.960 2.538 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1 ZINC000787772140 1076942247 /nfs/dbraw/zinc/94/22/47/1076942247.db2.gz YGBLVKUERDCXOJ-PGRDOPGGSA-N 1 0 409.571 2.737 20 0 HFADRO C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)cc2)CC1 ZINC000787846277 1076962643 /nfs/dbraw/zinc/96/26/43/1076962643.db2.gz YZXZARVGBWRUQO-HXUWFJFHSA-N 1 0 405.901 2.690 20 0 HFADRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000787877342 1076972147 /nfs/dbraw/zinc/97/21/47/1076972147.db2.gz XANKQBAGVRCHAD-RTBURBONSA-N 1 0 403.567 2.902 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cc(C)oc2C)cc1 ZINC000787887134 1076978230 /nfs/dbraw/zinc/97/82/30/1076978230.db2.gz TVQIZZOPUHRDNN-QFIPXVFZSA-N 1 0 401.507 2.701 20 0 HFADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000787908078 1076990440 /nfs/dbraw/zinc/99/04/40/1076990440.db2.gz GWXVZNBERCJXJO-SIKLNZKXSA-N 1 0 415.578 2.899 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)CCC2 ZINC000787916834 1076994748 /nfs/dbraw/zinc/99/47/48/1076994748.db2.gz YQJUMMQTUIHMMU-GGPKGHCWSA-N 1 0 417.598 2.832 20 0 HFADRO CC(C)CCC[C@@H](C)[N@@H+]1CCOC[C@]2(CC[C@@H](CNC(=O)c3cnccn3)O2)C1 ZINC001170079623 1076995311 /nfs/dbraw/zinc/99/53/11/1076995311.db2.gz FESAZUDYQHQNOP-DXIQSLLYSA-N 1 0 404.555 2.671 20 0 HFADRO CC(=O)OCCCS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000787923082 1076998494 /nfs/dbraw/zinc/99/84/94/1076998494.db2.gz WGWMFEHMPZMMTN-UHFFFAOYSA-N 1 0 402.944 2.521 20 0 HFADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000746715808 1077003713 /nfs/dbraw/zinc/00/37/13/1077003713.db2.gz GNJRSNTWYJAYKU-UHFFFAOYSA-N 1 0 412.466 2.520 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000787902109 1077004990 /nfs/dbraw/zinc/00/49/90/1077004990.db2.gz DOWCJLAONFZEEJ-TZIWHRDSSA-N 1 0 403.567 2.648 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000787950040 1077006268 /nfs/dbraw/zinc/00/62/68/1077006268.db2.gz DTBKCYPUDHLPKG-KAGYGMCKSA-N 1 0 409.530 2.840 20 0 HFADRO C[NH+](C)[C@@H](CNC(=O)NC[C@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000746719256 1077014821 /nfs/dbraw/zinc/01/48/21/1077014821.db2.gz AHTLQVFMASBGBH-HKUYNNGSSA-N 1 0 409.889 2.821 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)C1 ZINC000746718647 1077016054 /nfs/dbraw/zinc/01/60/54/1077016054.db2.gz SHLKJTYNMQPVAG-OAQYLSRUSA-N 1 0 412.534 2.861 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@@H](C)C1 ZINC000788038227 1077036485 /nfs/dbraw/zinc/03/64/85/1077036485.db2.gz YXRUOKHHJDYDIH-GJZGRUSLSA-N 1 0 412.987 2.812 20 0 HFADRO C[C@@]1(C(=O)O[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000788070105 1077051965 /nfs/dbraw/zinc/05/19/65/1077051965.db2.gz IHSXJUFJBWGSLB-WZONZLPQSA-N 1 0 423.517 2.513 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000746725754 1077056155 /nfs/dbraw/zinc/05/61/55/1077056155.db2.gz JDNNEIJVSQZFOP-UHFFFAOYSA-N 1 0 424.545 2.862 20 0 HFADRO CC(C)CCC[C@@H](C)[N@@H+]1CCCn2c(=O)cc(CNC(=O)N3CCCC3)nc2C1 ZINC001170082163 1077064999 /nfs/dbraw/zinc/06/49/99/1077064999.db2.gz JELVLOPBOULXHE-GOSISDBHSA-N 1 0 403.571 2.969 20 0 HFADRO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000788203796 1077078566 /nfs/dbraw/zinc/07/85/66/1077078566.db2.gz BSSPLUXBRCJLLS-NRFANRHFSA-N 1 0 404.942 2.730 20 0 HFADRO COc1cc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cnc1Br ZINC000788230980 1077083861 /nfs/dbraw/zinc/08/38/61/1077083861.db2.gz AXQYUIKOJMBEGM-CQSZACIVSA-N 1 0 420.311 2.640 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000788250889 1077086628 /nfs/dbraw/zinc/08/66/28/1077086628.db2.gz XRHXZQQZCQIGOE-KBAYOESNSA-N 1 0 422.522 2.971 20 0 HFADRO COc1ccc(C[NH+]2CCC(CNC(=O)C3=C(C)N(C)c4ncnn4[C@@H]3C)CC2)cc1 ZINC000788294088 1077100375 /nfs/dbraw/zinc/10/03/75/1077100375.db2.gz SPBXGECSFJZRJZ-QGZVFWFLSA-N 1 0 424.549 2.600 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000746742857 1077114211 /nfs/dbraw/zinc/11/42/11/1077114211.db2.gz OLKQRJHIAMNNRJ-SFHVURJKSA-N 1 0 402.539 2.913 20 0 HFADRO C[NH+](C)CC1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788309151 1077115131 /nfs/dbraw/zinc/11/51/31/1077115131.db2.gz SDWOHIXBAUZIJN-JKKSXJTRSA-N 1 0 424.545 2.815 20 0 HFADRO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000788436893 1077146179 /nfs/dbraw/zinc/14/61/79/1077146179.db2.gz OPPQZVSWYDFAQO-JKSUJKDBSA-N 1 0 400.527 2.904 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)C2CC2)C1 ZINC000788438355 1077147428 /nfs/dbraw/zinc/14/74/28/1077147428.db2.gz UCSVUDDZXFMTRU-HBFSDRIKSA-N 1 0 402.539 2.664 20 0 HFADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)C1 ZINC000788443517 1077161218 /nfs/dbraw/zinc/16/12/18/1077161218.db2.gz SCRWOKLHFRZMDI-IBGZPJMESA-N 1 0 415.534 2.646 20 0 HFADRO Cn1ccnc1[C@@](O)(CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F ZINC000788448082 1077162524 /nfs/dbraw/zinc/16/25/24/1077162524.db2.gz UUBMLFBVDCEVPF-ROUUACIJSA-N 1 0 420.476 2.797 20 0 HFADRO O=C(c1cc(NCCN2CC[NH+](Cc3ccccc3)CC2)ccn1)N1CCCCC1 ZINC000788450200 1077163176 /nfs/dbraw/zinc/16/31/76/1077163176.db2.gz RYMPCLJPYMMDSM-UHFFFAOYSA-N 1 0 407.562 2.937 20 0 HFADRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000746747277 1077163483 /nfs/dbraw/zinc/16/34/83/1077163483.db2.gz GYPMGFNVFMLFFR-UHFFFAOYSA-N 1 0 417.597 2.653 20 0 HFADRO Cc1ccc(N(C)[C@@H]2CCCN(C(=O)C(=O)NCc3cccc(C[NH+](C)C)c3)C2)cc1 ZINC000788460748 1077166636 /nfs/dbraw/zinc/16/66/36/1077166636.db2.gz PTMFZFHKVQIWDP-HSZRJFAPSA-N 1 0 422.573 2.800 20 0 HFADRO [NH2+]=C(NOCc1ncc(Br)s1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000788506871 1077185981 /nfs/dbraw/zinc/18/59/81/1077185981.db2.gz YTBUKJMXYHJBNM-CYBMUJFWSA-N 1 0 411.325 2.805 20 0 HFADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788543301 1077194674 /nfs/dbraw/zinc/19/46/74/1077194674.db2.gz STNYKLRNVKYDMN-INIZCTEOSA-N 1 0 417.497 2.726 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C ZINC000788545933 1077195967 /nfs/dbraw/zinc/19/59/67/1077195967.db2.gz APSAHUZKEKLHTM-SFHVURJKSA-N 1 0 407.559 2.663 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c(C)c1Cl ZINC000788547620 1077196675 /nfs/dbraw/zinc/19/66/75/1077196675.db2.gz JTQCZKJGHGDZBV-UHFFFAOYSA-N 1 0 401.897 2.537 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788558789 1077200931 /nfs/dbraw/zinc/20/09/31/1077200931.db2.gz VYGPFYJBIBPYPG-FHWLQOOXSA-N 1 0 423.529 2.959 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)NC(C)(C)C(=O)NCC2CCCC2)cc1 ZINC000788533702 1077205356 /nfs/dbraw/zinc/20/53/56/1077205356.db2.gz XUTLWJJSNHPMOH-KAMYIIQDSA-N 1 0 401.551 2.841 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000788568776 1077208703 /nfs/dbraw/zinc/20/87/03/1077208703.db2.gz DDGQYENXRPTTGK-WMZOPIPTSA-N 1 0 411.568 2.590 20 0 HFADRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC000788586879 1077213245 /nfs/dbraw/zinc/21/32/45/1077213245.db2.gz GIOPSZJGKPAQEP-AWEZNQCLSA-N 1 0 409.552 2.645 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000788595075 1077216791 /nfs/dbraw/zinc/21/67/91/1077216791.db2.gz RFRLPMKDSZYGFY-ZFWWWQNUSA-N 1 0 414.344 2.988 20 0 HFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000788599199 1077218555 /nfs/dbraw/zinc/21/85/55/1077218555.db2.gz QTUPRJLYFSXMEQ-OAHLLOKOSA-N 1 0 403.504 2.744 20 0 HFADRO CCn1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1=O ZINC000788605206 1077220752 /nfs/dbraw/zinc/22/07/52/1077220752.db2.gz MYNOTQBFLBKEBC-QRVBRYPASA-N 1 0 405.539 2.762 20 0 HFADRO CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 ZINC000788607615 1077222459 /nfs/dbraw/zinc/22/24/59/1077222459.db2.gz WCTCZNWCVQRNKX-OXQOHEQNSA-N 1 0 412.490 2.556 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000788618106 1077229955 /nfs/dbraw/zinc/22/99/55/1077229955.db2.gz RPFZJWRAGLITIO-OAHLLOKOSA-N 1 0 400.483 2.626 20 0 HFADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)CC1 ZINC000788618974 1077230546 /nfs/dbraw/zinc/23/05/46/1077230546.db2.gz CDWKLJMNZGTBDL-BULFRSBZSA-N 1 0 404.551 2.915 20 0 HFADRO CC(C)[NH+](CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)C(C)C ZINC000788619878 1077231218 /nfs/dbraw/zinc/23/12/18/1077231218.db2.gz WLWLROBOPGJTBJ-PMACEKPBSA-N 1 0 412.534 2.813 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)=NO1 ZINC000788621920 1077232156 /nfs/dbraw/zinc/23/21/56/1077232156.db2.gz ZBVNHVVQCGNTOI-MJGOQNOKSA-N 1 0 416.522 2.609 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1Cl ZINC000788677683 1077247348 /nfs/dbraw/zinc/24/73/48/1077247348.db2.gz VYUCHYFMQROOFI-WDEREUQCSA-N 1 0 408.973 2.895 20 0 HFADRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788681878 1077249331 /nfs/dbraw/zinc/24/93/31/1077249331.db2.gz ZRPLPDUUXMERLH-NVXWUHKLSA-N 1 0 411.568 2.815 20 0 HFADRO COc1cccc([C@@H](CNC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)[NH+](C)C)c1 ZINC000788692944 1077252954 /nfs/dbraw/zinc/25/29/54/1077252954.db2.gz RPOSDINVCRNUSU-QZTJIDSGSA-N 1 0 403.523 2.671 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)[NH+]2CCCC2)o1 ZINC000788656183 1077254453 /nfs/dbraw/zinc/25/44/53/1077254453.db2.gz KYLXYOODROIWSO-RDJZCZTQSA-N 1 0 420.510 2.511 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000790969134 1077258491 /nfs/dbraw/zinc/25/84/91/1077258491.db2.gz VQOILKVCJVEQOO-HNNXBMFYSA-N 1 0 419.526 2.604 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001170146494 1077258550 /nfs/dbraw/zinc/25/85/50/1077258550.db2.gz PYMMFKTWOPTRSZ-VGOFRKELSA-N 1 0 409.571 2.926 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000788666375 1077259759 /nfs/dbraw/zinc/25/97/59/1077259759.db2.gz BIANOOIMIRBTQZ-MAUKXSAKSA-N 1 0 415.600 2.568 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1cnn(C)c1 ZINC000788668848 1077261001 /nfs/dbraw/zinc/26/10/01/1077261001.db2.gz UMHJTBDQLANQMF-IBGZPJMESA-N 1 0 421.586 2.909 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(NN4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)c3)CC[C@H]21 ZINC000788668622 1077261215 /nfs/dbraw/zinc/26/12/15/1077261215.db2.gz QHLBQTJITMAYDC-AYWYSENESA-N 1 0 422.529 2.521 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)=NO1 ZINC000788672808 1077262724 /nfs/dbraw/zinc/26/27/24/1077262724.db2.gz JVURQJZMWJQVKS-SFHVURJKSA-N 1 0 416.522 2.933 20 0 HFADRO CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788713215 1077268705 /nfs/dbraw/zinc/26/87/05/1077268705.db2.gz SMMPKBRVZRYDGI-NHCUHLMSSA-N 1 0 400.567 2.939 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788716352 1077269288 /nfs/dbraw/zinc/26/92/88/1077269288.db2.gz VUUYDIKBUVHAGH-TZIWHRDSSA-N 1 0 400.567 2.941 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788714712 1077269299 /nfs/dbraw/zinc/26/92/99/1077269299.db2.gz HBJJQGDXNNKDBV-ZVDOUQERSA-N 1 0 400.567 2.797 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F ZINC000788719175 1077270580 /nfs/dbraw/zinc/27/05/80/1077270580.db2.gz PDEQWTLECQRPBD-LBTNJELSSA-N 1 0 420.476 2.795 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccc(N4CCCS4(=O)=O)cc3)C2)C1 ZINC000788752496 1077276640 /nfs/dbraw/zinc/27/66/40/1077276640.db2.gz WKIRGNPTZJJDOT-UHFFFAOYSA-N 1 0 421.563 2.716 20 0 HFADRO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC000788752610 1077276935 /nfs/dbraw/zinc/27/69/35/1077276935.db2.gz DIXQMGJJNJLBCD-SFHVURJKSA-N 1 0 403.523 2.500 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788767079 1077281971 /nfs/dbraw/zinc/28/19/71/1077281971.db2.gz XEIHVFQNNNHPCN-SFHVURJKSA-N 1 0 405.514 2.973 20 0 HFADRO C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)([NH+](C)C)C1 ZINC000788748316 1077288985 /nfs/dbraw/zinc/28/89/85/1077288985.db2.gz QQPNIUUXXONQJQ-QMHWCDLVSA-N 1 0 400.567 2.939 20 0 HFADRO CN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788795601 1077290550 /nfs/dbraw/zinc/29/05/50/1077290550.db2.gz OCRDVYCXLDOMAH-JOCHJYFZSA-N 1 0 420.557 2.528 20 0 HFADRO COc1ccccc1CCNC(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788804779 1077293264 /nfs/dbraw/zinc/29/32/64/1077293264.db2.gz YOZIMKPWURDTLF-HKUYNNGSSA-N 1 0 419.566 2.979 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)C2=O)c(C)c1 ZINC000788809498 1077294164 /nfs/dbraw/zinc/29/41/64/1077294164.db2.gz KUAZSTBXQQYBIT-PMACEKPBSA-N 1 0 400.567 2.994 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3nccc(-c4cnccn4)n3)nc3ccc(C)cc3n12 ZINC001170148566 1077299166 /nfs/dbraw/zinc/29/91/66/1077299166.db2.gz ARWHTKHONDXTKT-UHFFFAOYSA-N 1 0 411.473 2.843 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(C)nn2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788819443 1077307622 /nfs/dbraw/zinc/30/76/22/1077307622.db2.gz RVYCZJMWQPJUNV-INIZCTEOSA-N 1 0 408.543 2.787 20 0 HFADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC(Oc4ccc(F)nc4)CC3)cc2)CC1 ZINC000791163761 1077313590 /nfs/dbraw/zinc/31/35/90/1077313590.db2.gz KCUPJZCCPRVLLS-UHFFFAOYSA-N 1 0 412.509 2.652 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NS(=O)(=O)C3=Cc4ccccc4OC3)nc2)CC1 ZINC000788843364 1077317244 /nfs/dbraw/zinc/31/72/44/1077317244.db2.gz DHOKEFXRDYMYGY-UHFFFAOYSA-N 1 0 414.531 2.787 20 0 HFADRO C[N@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H](CCO)c1ccccc1 ZINC000788847046 1077318273 /nfs/dbraw/zinc/31/82/73/1077318273.db2.gz PDRCRONXIGCOFV-ICSRJNTNSA-N 1 0 419.566 2.805 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)CCCC2)CC1 ZINC000788846744 1077318798 /nfs/dbraw/zinc/31/87/98/1077318798.db2.gz VURRMBLWDZRXEZ-GOSISDBHSA-N 1 0 421.582 2.783 20 0 HFADRO Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc2cn3ccccc3n2)cnn1C ZINC000788857933 1077322087 /nfs/dbraw/zinc/32/20/87/1077322087.db2.gz YNWXACGSKJRYBV-QGZVFWFLSA-N 1 0 412.538 2.849 20 0 HFADRO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000788881172 1077328605 /nfs/dbraw/zinc/32/86/05/1077328605.db2.gz FQGYMANCFKDUOX-QGZVFWFLSA-N 1 0 415.987 2.831 20 0 HFADRO CC1=C(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H](C)n2ncnc2N1C ZINC000791215241 1077332686 /nfs/dbraw/zinc/33/26/86/1077332686.db2.gz TZRJMKJZFHXIFP-INIZCTEOSA-N 1 0 412.563 2.793 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000788914640 1077351495 /nfs/dbraw/zinc/35/14/95/1077351495.db2.gz ZJAGNXWZUDIGLO-MNOVXSKESA-N 1 0 410.765 2.896 20 0 HFADRO O=C1OCc2c1cccc2S(=O)(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000788915413 1077352739 /nfs/dbraw/zinc/35/27/39/1077352739.db2.gz DAEILPMGCWPZTH-IBGZPJMESA-N 1 0 400.500 2.863 20 0 HFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000788916078 1077353582 /nfs/dbraw/zinc/35/35/82/1077353582.db2.gz ISUUAIVTGBNLLY-UHFFFAOYSA-N 1 0 403.976 2.784 20 0 HFADRO CC(=O)N1C[C@H](C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)Oc2ccccc21 ZINC000791295108 1077359449 /nfs/dbraw/zinc/35/94/49/1077359449.db2.gz SFRIVSHNOZWQOW-HSZRJFAPSA-N 1 0 423.513 2.590 20 0 HFADRO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000788936445 1077369361 /nfs/dbraw/zinc/36/93/61/1077369361.db2.gz LPWNKKRPVPEDOV-HXUWFJFHSA-N 1 0 418.582 2.717 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3nc(Cl)nc4c3CC(=O)N4)nc3ccc(C)cc3n12 ZINC001170152043 1077371476 /nfs/dbraw/zinc/37/14/76/1077371476.db2.gz ROLMFGZFSGNFAQ-UHFFFAOYSA-N 1 0 422.880 2.534 20 0 HFADRO CCCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000747002592 1077372267 /nfs/dbraw/zinc/37/22/67/1077372267.db2.gz RTMJCDHGPWFASP-UHFFFAOYSA-N 1 0 424.545 2.824 20 0 HFADRO COC(=O)[C@]1(NC(=O)C[C@@H](O)c2cccc(F)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000772771936 1077372475 /nfs/dbraw/zinc/37/24/75/1077372475.db2.gz DOMYXTYTMLUSQT-OFNKIYASSA-N 1 0 414.477 2.573 20 0 HFADRO CC(C)[C@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H](O)c1ccccc1 ZINC000788942784 1077372867 /nfs/dbraw/zinc/37/28/67/1077372867.db2.gz YDBCOOAPVALPGF-FCHUYYIVSA-N 1 0 402.583 2.602 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000788988080 1077374542 /nfs/dbraw/zinc/37/45/42/1077374542.db2.gz PHJUZEZCMXSAMT-YSIASYRMSA-N 1 0 409.571 2.689 20 0 HFADRO CCN(CCc1cccs1)C(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000747003230 1077377901 /nfs/dbraw/zinc/37/79/01/1077377901.db2.gz DVDGIWWMFVQWAD-UHFFFAOYSA-N 1 0 414.575 2.920 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1 ZINC000791341694 1077379820 /nfs/dbraw/zinc/37/98/20/1077379820.db2.gz XYRFFGLDMITWPC-UHFFFAOYSA-N 1 0 422.529 2.764 20 0 HFADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000788980427 1077382528 /nfs/dbraw/zinc/38/25/28/1077382528.db2.gz FMQSVFLCWGOXGT-YLJYHZDGSA-N 1 0 415.559 2.976 20 0 HFADRO O=C(c1nc(Br)sc1C1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000791379521 1077387782 /nfs/dbraw/zinc/38/77/82/1077387782.db2.gz JTBWGAUYJMPNEC-NSHDSACASA-N 1 0 400.342 2.577 20 0 HFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000746785480 1077397532 /nfs/dbraw/zinc/39/75/32/1077397532.db2.gz KBZOBZYSGYXQLG-UHFFFAOYSA-N 1 0 409.534 2.980 20 0 HFADRO O=C(COC(=O)c1c[nH]nc1-c1ccoc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000789082033 1077399406 /nfs/dbraw/zinc/39/94/06/1077399406.db2.gz IWMOQCMPGTZBNE-UHFFFAOYSA-N 1 0 408.458 2.739 20 0 HFADRO C[C@H](OC(=O)c1n[nH]c2c1CCCCC2)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789178461 1077446078 /nfs/dbraw/zinc/44/60/78/1077446078.db2.gz WZHKHZKBBVUGDO-FUHWJXTLSA-N 1 0 410.518 2.615 20 0 HFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=S)NCCc2ccc(F)cc2)CC1 ZINC000789190674 1077453263 /nfs/dbraw/zinc/45/32/63/1077453263.db2.gz WWESFSTXLPXOQI-UHFFFAOYSA-N 1 0 420.598 2.557 20 0 HFADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001691696045 1077486844 /nfs/dbraw/zinc/48/68/44/1077486844.db2.gz OVRAXVHYNUFAIA-BGYRXZFFSA-N 1 0 406.619 2.823 20 0 HFADRO C[C@H](OC(=O)c1cn(C)nc1-c1ccoc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789262345 1077487613 /nfs/dbraw/zinc/48/76/13/1077487613.db2.gz UMAPVCRMZDMAGM-QFBILLFUSA-N 1 0 422.485 2.616 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)C2)c1 ZINC000791590025 1077494213 /nfs/dbraw/zinc/49/42/13/1077494213.db2.gz SZQGUQAJZBMIDZ-KSFYIVLOSA-N 1 0 411.502 2.834 20 0 HFADRO Cc1nc(C)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)o1 ZINC001086600482 1077506989 /nfs/dbraw/zinc/50/69/89/1077506989.db2.gz WDDFOZFMAUIWHP-FIQGOXITSA-N 1 0 407.514 2.799 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](C[C@@H](O)C3CCCCC3)C2)CC1 ZINC000789310841 1077509222 /nfs/dbraw/zinc/50/92/22/1077509222.db2.gz WDEPJZDUNSHTMB-VQTJNVASSA-N 1 0 423.598 2.719 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NC(=O)NCc1cccs1 ZINC000789311520 1077509913 /nfs/dbraw/zinc/50/99/13/1077509913.db2.gz LYFVEDBQQCQNNE-UHFFFAOYSA-N 1 0 422.938 2.913 20 0 HFADRO CCOc1nc(C)ccc1C(=O)OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000791654097 1077513287 /nfs/dbraw/zinc/51/32/87/1077513287.db2.gz JDKWKRSDXNUPLO-UHFFFAOYSA-N 1 0 411.502 2.858 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCCCOc3ccccc3F)cccc21 ZINC000789355518 1077515161 /nfs/dbraw/zinc/51/51/61/1077515161.db2.gz DNYWHQKORYHZSD-GOSISDBHSA-N 1 0 415.465 2.735 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 ZINC000791674357 1077524883 /nfs/dbraw/zinc/52/48/83/1077524883.db2.gz HJFQNXYQMSNLAA-GOSISDBHSA-N 1 0 407.580 2.702 20 0 HFADRO COc1ccc(C)cc1CNC(=O)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000789393313 1077536136 /nfs/dbraw/zinc/53/61/36/1077536136.db2.gz OMSYVWFOIZHWBD-XMMPIXPASA-N 1 0 409.530 2.648 20 0 HFADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000791718024 1077537888 /nfs/dbraw/zinc/53/78/88/1077537888.db2.gz KLJJRJMJIYQJJJ-UJBXOHPOSA-N 1 0 408.481 2.926 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000789362760 1077538297 /nfs/dbraw/zinc/53/82/97/1077538297.db2.gz BAKBBZKBPVIOSI-HNNXBMFYSA-N 1 0 403.504 2.526 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)Nc1ccccc1N1CCOC1=O)[N@H+](C)Cc1ccccc1 ZINC000746811275 1077552434 /nfs/dbraw/zinc/55/24/34/1077552434.db2.gz RBAADLPPVSRGIR-KRWDZBQOSA-N 1 0 424.501 2.609 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746810951 1077553257 /nfs/dbraw/zinc/55/32/57/1077553257.db2.gz GADWYUURFSRGCV-QGZVFWFLSA-N 1 0 418.881 2.876 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000789404885 1077562044 /nfs/dbraw/zinc/56/20/44/1077562044.db2.gz KECDMHMXNYBKTK-OXQOHEQNSA-N 1 0 411.502 2.902 20 0 HFADRO O=C(CCS(=O)(=O)c1ccc(F)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791819909 1077567197 /nfs/dbraw/zinc/56/71/97/1077567197.db2.gz MHUZXCPOEKWTPQ-GOSISDBHSA-N 1 0 404.507 2.628 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000791827424 1077575584 /nfs/dbraw/zinc/57/55/84/1077575584.db2.gz ZBWAHHFDUNTTPY-UHFFFAOYSA-N 1 0 423.608 2.595 20 0 HFADRO O=C(CCC(=O)N1CCOc2ccccc21)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791827185 1077575650 /nfs/dbraw/zinc/57/56/50/1077575650.db2.gz XRIBCBXFPJEMQY-HXUWFJFHSA-N 1 0 407.514 2.831 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000791828377 1077576302 /nfs/dbraw/zinc/57/63/02/1077576302.db2.gz NDYNSXVLVSRHIM-IRXDYDNUSA-N 1 0 413.440 2.788 20 0 HFADRO C[C@H]1CN(C(=O)C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000789446710 1077577966 /nfs/dbraw/zinc/57/79/66/1077577966.db2.gz LTMWFDXJCUTYOX-HNAYVOBHSA-N 1 0 418.335 2.965 20 0 HFADRO C[C@@H]1CN(C(=O)C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)CCO1 ZINC000789446693 1077577986 /nfs/dbraw/zinc/57/79/86/1077577986.db2.gz LTMWFDXJCUTYOX-BEFAXECRSA-N 1 0 418.335 2.965 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000791975536 1077617244 /nfs/dbraw/zinc/61/72/44/1077617244.db2.gz ZIBOXOJKYYPODZ-REHHDOPLSA-N 1 0 409.530 2.695 20 0 HFADRO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@H]3CCN(Cc4ccccc4)C3=O)c2cc1C ZINC000789523403 1077619786 /nfs/dbraw/zinc/61/97/86/1077619786.db2.gz YTWCGOWUOKKKFM-IRLDBZIGSA-N 1 0 406.530 2.747 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cn1cc(Br)ccc1=O ZINC000791981245 1077621588 /nfs/dbraw/zinc/62/15/88/1077621588.db2.gz FMENAMZPVWAPJZ-WMZOPIPTSA-N 1 0 416.319 2.754 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000791982127 1077621986 /nfs/dbraw/zinc/62/19/86/1077621986.db2.gz PSOJIINKLOYYJJ-KPFFTGBYSA-N 1 0 405.498 2.943 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NC[C@@H](O)c3ccccc3Cl)cccc21 ZINC000789529492 1077625468 /nfs/dbraw/zinc/62/54/68/1077625468.db2.gz VZVZBAPDVMVMBG-QZTJIDSGSA-N 1 0 417.893 2.514 20 0 HFADRO C[NH+](C)CCCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000791965095 1077637594 /nfs/dbraw/zinc/63/75/94/1077637594.db2.gz RXBJWSJZTFQHFF-AWEZNQCLSA-N 1 0 415.303 2.935 20 0 HFADRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000789565754 1077645667 /nfs/dbraw/zinc/64/56/67/1077645667.db2.gz ULBWYTTYUADFJJ-ZDUSSCGKSA-N 1 0 404.417 2.691 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)C2)c1 ZINC000792028968 1077657833 /nfs/dbraw/zinc/65/78/33/1077657833.db2.gz SYRQGSWYSPKYMA-CTNGQTDRSA-N 1 0 415.465 2.755 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792056705 1077661844 /nfs/dbraw/zinc/66/18/44/1077661844.db2.gz IVAPHRISWLEAMF-WOJBJXKFSA-N 1 0 424.630 2.804 20 0 HFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3nc(Br)ccc3F)cc2)CC1 ZINC000792057594 1077662894 /nfs/dbraw/zinc/66/28/94/1077662894.db2.gz GBOKLQWIMIPKLI-UHFFFAOYSA-N 1 0 421.314 2.661 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000746828201 1077666568 /nfs/dbraw/zinc/66/65/68/1077666568.db2.gz LJCUZVMEIJUYRX-QGZVFWFLSA-N 1 0 404.555 2.876 20 0 HFADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1 ZINC000789561087 1077679426 /nfs/dbraw/zinc/67/94/26/1077679426.db2.gz PDMXCWRRHVFSDL-HXUWFJFHSA-N 1 0 403.486 2.822 20 0 HFADRO C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000792075673 1077681470 /nfs/dbraw/zinc/68/14/70/1077681470.db2.gz PGKFLXVRZUJTTE-LBPRGKRZSA-N 1 0 407.458 2.681 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074544 1077681570 /nfs/dbraw/zinc/68/15/70/1077681570.db2.gz JDDTZNWXFLLLKV-QDEZUTFSSA-N 1 0 412.303 2.607 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074543 1077681605 /nfs/dbraw/zinc/68/16/05/1077681605.db2.gz JDDTZNWXFLLLKV-AYMQEEERSA-N 1 0 412.303 2.607 20 0 HFADRO C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000792077584 1077683568 /nfs/dbraw/zinc/68/35/68/1077683568.db2.gz WNGPDBWNZDOLFB-HKUYNNGSSA-N 1 0 404.555 2.763 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000792078279 1077684819 /nfs/dbraw/zinc/68/48/19/1077684819.db2.gz ZNIQYPTXQNLJLA-INIZCTEOSA-N 1 0 412.575 2.622 20 0 HFADRO COc1ccc(Br)c(CC(=O)OCCCN2CC[NH+](C(C)C)CC2)c1 ZINC000792040052 1077690158 /nfs/dbraw/zinc/69/01/58/1077690158.db2.gz OXFNKIHYHJSGPH-UHFFFAOYSA-N 1 0 413.356 2.960 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)C2)c1 ZINC000792078058 1077691118 /nfs/dbraw/zinc/69/11/18/1077691118.db2.gz ZKGSXXQZBCBNLG-PZJWPPBQSA-N 1 0 415.465 2.755 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000792117757 1077703583 /nfs/dbraw/zinc/70/35/83/1077703583.db2.gz DNETVLHCNRPEOI-OKILXGFUSA-N 1 0 413.335 2.614 20 0 HFADRO CCc1noc(CONC(=[NH2+])[C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)cc2)n1 ZINC000789632517 1077712480 /nfs/dbraw/zinc/71/24/80/1077712480.db2.gz KTLXGDRXLROXJV-INIZCTEOSA-N 1 0 405.455 2.905 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000746843318 1077717653 /nfs/dbraw/zinc/71/76/53/1077717653.db2.gz XULMPKWGGVVNRR-RTBURBONSA-N 1 0 422.614 2.841 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000789651321 1077719212 /nfs/dbraw/zinc/71/92/12/1077719212.db2.gz FWKCBOPCPUQJRC-IEBWSBKVSA-N 1 0 412.559 2.726 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncncc1OCc1ccccc1 ZINC001170163411 1077729938 /nfs/dbraw/zinc/72/99/38/1077729938.db2.gz ZBZLGVBITNDKCR-UHFFFAOYSA-N 1 0 404.474 2.924 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCc2ccc3ncccc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000789694344 1077731474 /nfs/dbraw/zinc/73/14/74/1077731474.db2.gz SFLRFTWOLJTTMB-VWLOTQADSA-N 1 0 416.525 2.879 20 0 HFADRO C[C@@H](CNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000792165926 1077731976 /nfs/dbraw/zinc/73/19/76/1077731976.db2.gz MKOPKVXWONIKLA-IBGZPJMESA-N 1 0 418.582 2.566 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000792170049 1077733461 /nfs/dbraw/zinc/73/34/61/1077733461.db2.gz CPYLVMDCUNBKLC-FUHWJXTLSA-N 1 0 409.324 2.512 20 0 HFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nc(Br)ccc1F ZINC000792181058 1077737011 /nfs/dbraw/zinc/73/70/11/1077737011.db2.gz VZAYDJYFOYKSDK-UHFFFAOYSA-N 1 0 422.298 2.870 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000792188334 1077738635 /nfs/dbraw/zinc/73/86/35/1077738635.db2.gz GNTIHZWYFIHZLW-INIZCTEOSA-N 1 0 418.538 2.588 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)C2)c1 ZINC000792199627 1077742867 /nfs/dbraw/zinc/74/28/67/1077742867.db2.gz SEPABAYTABEQDN-FDDCHVKYSA-N 1 0 423.513 2.930 20 0 HFADRO CS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)C1 ZINC000792234823 1077757193 /nfs/dbraw/zinc/75/71/93/1077757193.db2.gz GQFJIZUBIONMRC-FXAWDEMLSA-N 1 0 418.607 2.864 20 0 HFADRO COc1cccc(/C=C(\C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)n2nnnc2C)c1 ZINC000746849268 1077761327 /nfs/dbraw/zinc/76/13/27/1077761327.db2.gz UWIIMYPAMRHNES-CTSXZFCGSA-N 1 0 424.549 2.852 20 0 HFADRO CCc1nc(CN2CC[NH+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2)cs1 ZINC000792243645 1077762455 /nfs/dbraw/zinc/76/24/55/1077762455.db2.gz UPESVTOPVFWTJR-UHFFFAOYSA-N 1 0 401.580 2.918 20 0 HFADRO CCc1csc(NC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)n1 ZINC000789767986 1077769824 /nfs/dbraw/zinc/76/98/24/1077769824.db2.gz GHLIAYMEBJHHKB-UHFFFAOYSA-N 1 0 401.536 2.813 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)cc1 ZINC000792285633 1077775558 /nfs/dbraw/zinc/77/55/58/1077775558.db2.gz CXQLBWBPNDULGW-IBGZPJMESA-N 1 0 407.518 2.614 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)Nc2nc3c(s2)CCC3)cc1)C1CC[NH+](C)CC1 ZINC000789752831 1077784540 /nfs/dbraw/zinc/78/45/40/1077784540.db2.gz TXDSEAAPGYLMBP-UHFFFAOYSA-N 1 0 413.547 2.739 20 0 HFADRO CC[C@H](C)[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792260156 1077784601 /nfs/dbraw/zinc/78/46/01/1077784601.db2.gz NDDURUQEAGEJCY-MUGJNUQGSA-N 1 0 418.578 2.990 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NC3CC[NH+]([C@H](C)c4ccncc4)CC3)C2)c1 ZINC000792272378 1077788615 /nfs/dbraw/zinc/78/86/15/1077788615.db2.gz MPUYVUDKLKNXKM-ZHRRBRCNSA-N 1 0 408.502 2.925 20 0 HFADRO CSC1(CNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)CCC1 ZINC000789784379 1077792732 /nfs/dbraw/zinc/79/27/32/1077792732.db2.gz ODXNQIAKWLAKLK-UHFFFAOYSA-N 1 0 422.570 2.697 20 0 HFADRO O=C(CCc1nnc[nH]1)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000789794307 1077800211 /nfs/dbraw/zinc/80/02/11/1077800211.db2.gz MAFBXLXMRJKIBX-UHFFFAOYSA-N 1 0 423.311 2.586 20 0 HFADRO Cc1cc(NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)n(C2CC[NH+](C)CC2)n1 ZINC000789808443 1077807607 /nfs/dbraw/zinc/80/76/07/1077807607.db2.gz WKWULXAOFXIGAO-MRXNPFEDSA-N 1 0 403.527 2.654 20 0 HFADRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789840226 1077816642 /nfs/dbraw/zinc/81/66/42/1077816642.db2.gz LXKPGCLUYBXBDR-KRWDZBQOSA-N 1 0 423.989 2.561 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000789807899 1077819279 /nfs/dbraw/zinc/81/92/79/1077819279.db2.gz QNRNTZKBQMAHFD-IBGZPJMESA-N 1 0 415.534 2.839 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC1CCS(=O)(=O)CC1)CC2 ZINC000792332788 1077822057 /nfs/dbraw/zinc/82/20/57/1077822057.db2.gz WQFMMGYLWJZEQG-UHFFFAOYSA-N 1 0 400.585 2.924 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)NCc1cccnc1)CC2 ZINC000792332279 1077822412 /nfs/dbraw/zinc/82/24/12/1077822412.db2.gz VNLZNYYACQPUEP-UHFFFAOYSA-N 1 0 402.539 2.811 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)NC(=O)NC1CCCC1)CC2 ZINC000792332208 1077822522 /nfs/dbraw/zinc/82/25/22/1077822522.db2.gz SDAIBVZFFWROAY-UHFFFAOYSA-N 1 0 422.570 2.868 20 0 HFADRO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2O1 ZINC000789815106 1077823731 /nfs/dbraw/zinc/82/37/31/1077823731.db2.gz WHIBIXXLEMQEKT-CVEARBPZSA-N 1 0 401.507 2.599 20 0 HFADRO Cc1cc(Cl)ncc1NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792398799 1077834832 /nfs/dbraw/zinc/83/48/32/1077834832.db2.gz QAISOMFIVZUFGJ-UHFFFAOYSA-N 1 0 418.847 2.903 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3=O)cc2)CC1 ZINC000789885651 1077835852 /nfs/dbraw/zinc/83/58/52/1077835852.db2.gz SMCAOOMBOKHIBQ-HSZRJFAPSA-N 1 0 420.557 2.702 20 0 HFADRO CCn1cc([C@H](O)C[N@H+](CCc2nnnn2-c2ccccc2)Cc2ccccc2)cn1 ZINC000792376234 1077843426 /nfs/dbraw/zinc/84/34/26/1077843426.db2.gz LABXCARMYVDBDJ-JOCHJYFZSA-N 1 0 417.517 2.657 20 0 HFADRO C[C@H]1C[C@H](C)N1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000792381103 1077845067 /nfs/dbraw/zinc/84/50/67/1077845067.db2.gz NRIJVEMVRBFMEN-IRXDYDNUSA-N 1 0 400.523 2.839 20 0 HFADRO C[C@@H]1C[C@@H](C)N1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000792381102 1077845136 /nfs/dbraw/zinc/84/51/36/1077845136.db2.gz NRIJVEMVRBFMEN-IAGOWNOFSA-N 1 0 400.523 2.839 20 0 HFADRO Nn1c(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1[C@@H]1CCCCO1 ZINC000789921550 1077848409 /nfs/dbraw/zinc/84/84/09/1077848409.db2.gz LNKRAWOAISVJDU-MSOLQXFVSA-N 1 0 403.552 2.617 20 0 HFADRO Nn1c(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1[C@H]1CCCCO1 ZINC000789921553 1077848430 /nfs/dbraw/zinc/84/84/30/1077848430.db2.gz LNKRAWOAISVJDU-ZWKOTPCHSA-N 1 0 403.552 2.617 20 0 HFADRO CC[C@H](C)n1ncc(NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1C ZINC000792417554 1077849111 /nfs/dbraw/zinc/84/91/11/1077849111.db2.gz CROWXSIARKQDRR-INIZCTEOSA-N 1 0 412.538 2.882 20 0 HFADRO O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000746863337 1077854184 /nfs/dbraw/zinc/85/41/84/1077854184.db2.gz AVCWHPPYVIMLRG-JOCHJYFZSA-N 1 0 422.558 2.985 20 0 HFADRO C[N@H+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C1CCCC1 ZINC000789976904 1077879728 /nfs/dbraw/zinc/87/97/28/1077879728.db2.gz SGGIZXCHILJDQO-WOJBJXKFSA-N 1 0 410.518 2.569 20 0 HFADRO C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)C1 ZINC001170124721 1077882167 /nfs/dbraw/zinc/88/21/67/1077882167.db2.gz HLMVRKHWQDOATR-AAEGSUEWSA-N 1 0 421.541 2.520 20 0 HFADRO CCOC(=O)c1nc2cc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)ccc2[nH]1 ZINC001170167554 1077884734 /nfs/dbraw/zinc/88/47/34/1077884734.db2.gz NFFWECVGVOBNNJ-UHFFFAOYSA-N 1 0 408.462 2.608 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccn(-c2ccc(F)cc2)c(=O)c1 ZINC001170167955 1077888462 /nfs/dbraw/zinc/88/84/62/1077888462.db2.gz RYJDVDNFNWRYFL-UHFFFAOYSA-N 1 0 407.449 2.845 20 0 HFADRO CC(C)CC[NH+]1CCC(CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000789991395 1077891568 /nfs/dbraw/zinc/89/15/68/1077891568.db2.gz CQAGSAQUAJTXOW-KRWDZBQOSA-N 1 0 410.559 2.530 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1c(Br)ccc2nccn21 ZINC001170170434 1077894885 /nfs/dbraw/zinc/89/48/85/1077894885.db2.gz QWHPOEQRFIYKBL-UHFFFAOYSA-N 1 0 415.295 2.965 20 0 HFADRO CC(C)CN1N=C(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCC1=O ZINC000792553883 1077901310 /nfs/dbraw/zinc/90/13/10/1077901310.db2.gz BXRNJMHPEIPMJD-UHFFFAOYSA-N 1 0 402.461 2.542 20 0 HFADRO Cn1cc(N(CCCC[NH3+])S(=O)(=O)c2ccc3c(Cl)cccc3c2)ncc1=O ZINC001170181065 1077902916 /nfs/dbraw/zinc/90/29/16/1077902916.db2.gz HKIJWOJSEBOZMS-UHFFFAOYSA-N 1 0 420.922 2.521 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NCc1ccc(Cl)cc1 ZINC001170185389 1077903833 /nfs/dbraw/zinc/90/38/33/1077903833.db2.gz ZVRJYIBWROWPLV-UHFFFAOYSA-N 1 0 414.981 2.706 20 0 HFADRO O=C(CCCC[NH+]1CCCC1)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000772798699 1077904819 /nfs/dbraw/zinc/90/48/19/1077904819.db2.gz NGCLGRSLYHIMTO-KRWDZBQOSA-N 1 0 408.340 2.937 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000772800996 1077907917 /nfs/dbraw/zinc/90/79/17/1077907917.db2.gz UVYSXIZCZMKDQJ-MRXNPFEDSA-N 1 0 412.625 2.591 20 0 HFADRO COC(=O)Cc1cc(NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)cc[nH+]1 ZINC001170210536 1077908105 /nfs/dbraw/zinc/90/81/05/1077908105.db2.gz PLCOLMNZKNWVLR-SJORKVTESA-N 1 0 408.495 2.851 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)CCO1 ZINC001170210929 1077908276 /nfs/dbraw/zinc/90/82/76/1077908276.db2.gz YJUIGTOSVNPXEB-SESVDKBCSA-N 1 0 401.551 2.930 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC001170217413 1077909811 /nfs/dbraw/zinc/90/98/11/1077909811.db2.gz QEDMPJNJZJVMBO-INIZCTEOSA-N 1 0 423.510 2.642 20 0 HFADRO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC001170218016 1077910048 /nfs/dbraw/zinc/91/00/48/1077910048.db2.gz SIFONADMUYAXGT-JTHBVZDNSA-N 1 0 415.578 2.936 20 0 HFADRO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3C(=O)N(Cc4ccc(OC)cc4)CCO[C@H]3C2)CCO1 ZINC001170224205 1077916826 /nfs/dbraw/zinc/91/68/26/1077916826.db2.gz UITSCTRZWRPBLP-PSBKLILYSA-N 1 0 402.535 2.702 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[NH2+]CCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001170257356 1077919862 /nfs/dbraw/zinc/91/98/62/1077919862.db2.gz ZDWLLTWLEUBOPJ-GOSISDBHSA-N 1 0 421.994 2.867 20 0 HFADRO C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000746873294 1077923266 /nfs/dbraw/zinc/92/32/66/1077923266.db2.gz QFJSPOGIYBLVBX-OAHLLOKOSA-N 1 0 420.469 2.610 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(-c3nnc(-c4ccno4)o3)cc(Cl)n2)O1 ZINC001170271576 1077924674 /nfs/dbraw/zinc/92/46/74/1077924674.db2.gz CITNEFMHRWAJGV-SNUQEOBHSA-N 1 0 420.857 2.577 20 0 HFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000792617341 1077929189 /nfs/dbraw/zinc/92/91/89/1077929189.db2.gz AOITXAXHBXKVQB-GOSISDBHSA-N 1 0 418.582 2.809 20 0 HFADRO CC[NH+]1CCC(N2CCC(C(=O)NCC(=O)c3ccc(Cl)cc3F)CC2)CC1 ZINC001170292565 1077929230 /nfs/dbraw/zinc/92/92/30/1077929230.db2.gz UJHSLMQWNNFQBH-UHFFFAOYSA-N 1 0 409.933 2.974 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc(C(=O)OCc3ccccc3F)cn2)O1 ZINC001170277996 1077934454 /nfs/dbraw/zinc/93/44/54/1077934454.db2.gz OIGYWPGSFCHITR-DBXWQHBBSA-N 1 0 403.454 2.714 20 0 HFADRO O=C(CNC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1Cl ZINC001170279250 1077935433 /nfs/dbraw/zinc/93/54/33/1077935433.db2.gz WCCDMIUOTNYFRU-NRFANRHFSA-N 1 0 404.869 2.805 20 0 HFADRO Cc1ccc(S(=O)(=O)Oc2ccccc2NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc1 ZINC001170280996 1077936613 /nfs/dbraw/zinc/93/66/13/1077936613.db2.gz AXYKSYOZZSZAGL-NJDAHSKKSA-N 1 0 420.531 2.899 20 0 HFADRO NC(=O)CC[N@H+](C[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCOc2ccccc21 ZINC001170290297 1077938796 /nfs/dbraw/zinc/93/87/96/1077938796.db2.gz JPYCOUWGVICQJS-UZLBHIALSA-N 1 0 409.486 2.609 20 0 HFADRO CC1=C(C)C(=O)N(CCC(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1=O ZINC001170320424 1077942293 /nfs/dbraw/zinc/94/22/93/1077942293.db2.gz LYGOUAJSPDMRJJ-INIZCTEOSA-N 1 0 411.424 2.520 20 0 HFADRO COC(=O)[C@@H]1Cc2cc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cnc2NC1=O ZINC001170333659 1077945903 /nfs/dbraw/zinc/94/59/03/1077945903.db2.gz QVBZKNWZMVMEEY-AYWYSENESA-N 1 0 420.513 2.973 20 0 HFADRO O=C1CN(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)CN1CCC(F)(F)F ZINC001170358174 1077949734 /nfs/dbraw/zinc/94/97/34/1077949734.db2.gz OOYLPBBEFADKHS-UHFFFAOYSA-N 1 0 418.891 2.906 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC000790144952 1077956540 /nfs/dbraw/zinc/95/65/40/1077956540.db2.gz MGCOHPKQKFNSQT-HXUWFJFHSA-N 1 0 413.543 2.728 20 0 HFADRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]2CCCO[C@H]21 ZINC001170385975 1077957193 /nfs/dbraw/zinc/95/71/93/1077957193.db2.gz LIWLUWNFRMJUHX-FSPWUOQZSA-N 1 0 405.564 2.848 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000790124729 1077958881 /nfs/dbraw/zinc/95/88/81/1077958881.db2.gz MHIIBVNCIGYZKH-UHFFFAOYSA-N 1 0 406.412 2.933 20 0 HFADRO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1cncc(OCC[NH+]2CCCC2)n1 ZINC001170394922 1077959713 /nfs/dbraw/zinc/95/97/13/1077959713.db2.gz XHJKCAZMLNMULL-SFHVURJKSA-N 1 0 402.470 2.677 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCC[NH+]2CCC(C)CC2)cn1 ZINC000790158404 1077961671 /nfs/dbraw/zinc/96/16/71/1077961671.db2.gz XWWHLLLLTHCLCU-QFIPXVFZSA-N 1 0 413.566 2.880 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCC[NH+]2CCC(C)CC2)cn1 ZINC000790158402 1077961728 /nfs/dbraw/zinc/96/17/28/1077961728.db2.gz XWWHLLLLTHCLCU-JOCHJYFZSA-N 1 0 413.566 2.880 20 0 HFADRO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170410923 1077966316 /nfs/dbraw/zinc/96/63/16/1077966316.db2.gz IOEOJKXGMOYQAG-IAGOWNOFSA-N 1 0 419.566 2.803 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001170412623 1077967089 /nfs/dbraw/zinc/96/70/89/1077967089.db2.gz RCTMFMNBSUSHTI-ULQDDVLXSA-N 1 0 420.506 2.877 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NC[C@H](C)C[NH+]2CCCC2)cn1 ZINC000790219940 1077973039 /nfs/dbraw/zinc/97/30/39/1077973039.db2.gz PFZJMWTXRCQKIT-UGKGYDQZSA-N 1 0 413.566 2.880 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1nnnn1C1CC1)[NH+]1CCCCC1 ZINC000790230185 1077981230 /nfs/dbraw/zinc/98/12/30/1077981230.db2.gz JBCOKGMHEMSANQ-CRAIPNDOSA-N 1 0 413.526 2.604 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C3CCN(C(=O)c4cccnc4)CC3)cccc21 ZINC000790234187 1077982487 /nfs/dbraw/zinc/98/24/87/1077982487.db2.gz DBZYQRCCHUDWGQ-HXUWFJFHSA-N 1 0 408.502 2.958 20 0 HFADRO CC(C)(C)OC(=O)N1CCC([N@H+](C2CC2)[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000790313718 1077994588 /nfs/dbraw/zinc/99/45/88/1077994588.db2.gz BBJPLJVMWJNULJ-IBGZPJMESA-N 1 0 407.555 2.630 20 0 HFADRO C[C@@]1(NC(=O)NC2CC[NH+](C3CC3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792804271 1078000608 /nfs/dbraw/zinc/00/06/08/1078000608.db2.gz PAMHBKZDQVGXTI-JOCHJYFZSA-N 1 0 400.523 2.714 20 0 HFADRO CCOC1(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)CCCC1 ZINC000792816287 1078002958 /nfs/dbraw/zinc/00/29/58/1078002958.db2.gz HDRQUERLUHETOQ-UHFFFAOYSA-N 1 0 418.534 2.622 20 0 HFADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000747087417 1078005930 /nfs/dbraw/zinc/00/59/30/1078005930.db2.gz SPQVVXSWBKEMAA-QGZVFWFLSA-N 1 0 420.579 2.996 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=S)NC[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000790341774 1078007444 /nfs/dbraw/zinc/00/74/44/1078007444.db2.gz XENQIIDDZXJYED-LEWJYISDSA-N 1 0 415.607 2.797 20 0 HFADRO C[C@H]1CN(c2ccc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)cc2)CCO1 ZINC000792832794 1078008008 /nfs/dbraw/zinc/00/80/08/1078008008.db2.gz QDRVWHYGZJMJFW-IBGZPJMESA-N 1 0 408.546 2.911 20 0 HFADRO CN(CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000790382175 1078010118 /nfs/dbraw/zinc/01/01/18/1078010118.db2.gz FBEADMPVTAXYKX-VWPQPMDRSA-N 1 0 403.498 2.852 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1)OCc1ccccc1 ZINC000792861119 1078010386 /nfs/dbraw/zinc/01/03/86/1078010386.db2.gz XVTJWZYRJTUIIU-PMACEKPBSA-N 1 0 414.550 2.819 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000792866450 1078011425 /nfs/dbraw/zinc/01/14/25/1078011425.db2.gz GEPKSBKQFOGZHT-WMZOPIPTSA-N 1 0 400.585 2.923 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000792867209 1078011621 /nfs/dbraw/zinc/01/16/21/1078011621.db2.gz MLHXFWNFNBYHCP-FGTMMUONSA-N 1 0 400.585 2.923 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1)OCc1ccccc1 ZINC000792871999 1078012201 /nfs/dbraw/zinc/01/22/01/1078012201.db2.gz MEQHWJXWVHRWAR-PWRODBHTSA-N 1 0 414.550 2.961 20 0 HFADRO Cc1ccc(CCN(C[C@@H]2CCCO2)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365945 1078014880 /nfs/dbraw/zinc/01/48/80/1078014880.db2.gz IVWUKOJYYCKBGM-LADGPHEKSA-N 1 0 413.562 2.893 20 0 HFADRO O=C1O[C@@]2(CN1CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C[NH+]1CCC2CC1 ZINC000790365435 1078015300 /nfs/dbraw/zinc/01/53/00/1078015300.db2.gz DFIDLGPQZCRKML-UMVBOHGHSA-N 1 0 415.378 2.923 20 0 HFADRO O=C1CN([C@H]2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c2ccccc2N1 ZINC000792878013 1078016108 /nfs/dbraw/zinc/01/61/08/1078016108.db2.gz QYBJRPGDQBGJNX-VXKWHMMOSA-N 1 0 420.557 2.811 20 0 HFADRO Cc1ccc([C@@H](CNS(=O)(=O)c2cccc3c2COC3=O)[NH+]2CCCC2)cc1 ZINC000747090294 1078016700 /nfs/dbraw/zinc/01/67/00/1078016700.db2.gz IARBLJBEIISLDR-LJQANCHMSA-N 1 0 400.500 2.781 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000790372787 1078017173 /nfs/dbraw/zinc/01/71/73/1078017173.db2.gz BXWIMVIDBSZZIF-VXKWHMMOSA-N 1 0 411.550 2.633 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCN(c3ccc(C(F)(F)F)cc3)CC1)C[NH+]1CCC2CC1 ZINC000790374906 1078017915 /nfs/dbraw/zinc/01/79/15/1078017915.db2.gz UPZOTTADYPPYQK-HXUWFJFHSA-N 1 0 424.467 2.702 20 0 HFADRO O=C1O[C@]2(CN1CN1CCC(OCc3ccccc3F)CC1)C[NH+]1CCC2CC1 ZINC000790376696 1078018594 /nfs/dbraw/zinc/01/85/94/1078018594.db2.gz VYCAJOUTASJFIG-QFIPXVFZSA-N 1 0 403.498 2.681 20 0 HFADRO [NH3+][C@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1)Cc1ccc2ccccc2c1 ZINC001157521721 1078021998 /nfs/dbraw/zinc/02/19/98/1078021998.db2.gz KJCJAARYJXOMSC-INIZCTEOSA-N 1 0 403.408 2.752 20 0 HFADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(OC)c1 ZINC000792914809 1078025054 /nfs/dbraw/zinc/02/50/54/1078025054.db2.gz XSBCMIHQENPTQL-RPVQJOFSSA-N 1 0 418.317 2.737 20 0 HFADRO CN(C(=O)C[N@@H+]1CCCCC[C@@H]1CCO)c1ccccc1C(=O)NCc1ccco1 ZINC000792928490 1078027355 /nfs/dbraw/zinc/02/73/55/1078027355.db2.gz UOZBCPMSBMGHGZ-GOSISDBHSA-N 1 0 413.518 2.799 20 0 HFADRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1OC ZINC000792931178 1078028088 /nfs/dbraw/zinc/02/80/88/1078028088.db2.gz GWPAXHKJTCLCMK-IRXDYDNUSA-N 1 0 406.548 2.905 20 0 HFADRO COc1cccc([C@H](C)N2CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971988 1078029955 /nfs/dbraw/zinc/02/99/55/1078029955.db2.gz DZCCDPHSKMVSKH-PKOBYXMFSA-N 1 0 407.555 2.650 20 0 HFADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1)C(F)(F)F ZINC000792974570 1078030343 /nfs/dbraw/zinc/03/03/43/1078030343.db2.gz BBGHBOMVRJJTCG-UHFFFAOYSA-N 1 0 420.432 2.663 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[NH+](CC(C)C)CC3)c2ccc1Br ZINC000790440045 1078031601 /nfs/dbraw/zinc/03/16/01/1078031601.db2.gz UUSNLDQJZFMNQE-UHFFFAOYSA-N 1 0 409.328 2.817 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)nc1Br ZINC000792947796 1078032574 /nfs/dbraw/zinc/03/25/74/1078032574.db2.gz PXIRUKCOOIPYPE-NSHDSACASA-N 1 0 411.325 2.572 20 0 HFADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792949363 1078032731 /nfs/dbraw/zinc/03/27/31/1078032731.db2.gz ZZFYRDYNWWMETH-GFCCVEGCSA-N 1 0 423.336 2.797 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)n3)cc2)C[C@@H](C)O1 ZINC000792952909 1078034160 /nfs/dbraw/zinc/03/41/60/1078034160.db2.gz WEADFRPZYQMOIK-HUUCEWRRSA-N 1 0 416.909 2.599 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)nc1Br ZINC000792954182 1078034474 /nfs/dbraw/zinc/03/44/74/1078034474.db2.gz ZVNFWNSGUXVWAP-ZDUSSCGKSA-N 1 0 411.344 2.719 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000792963817 1078037135 /nfs/dbraw/zinc/03/71/35/1078037135.db2.gz UWWVSNNBHZDVQL-UHFFFAOYSA-N 1 0 414.453 2.733 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000790469745 1078038597 /nfs/dbraw/zinc/03/85/97/1078038597.db2.gz AUNGOHGLQHVMJB-GOSISDBHSA-N 1 0 406.527 2.560 20 0 HFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc(Br)n2)c1 ZINC000792981287 1078039788 /nfs/dbraw/zinc/03/97/88/1078039788.db2.gz XOVLLLFOFGUTIX-UHFFFAOYSA-N 1 0 419.323 2.681 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)nc1Br ZINC000792986113 1078041264 /nfs/dbraw/zinc/04/12/64/1078041264.db2.gz CAVMDVAIBCEEBB-AWEZNQCLSA-N 1 0 409.328 2.568 20 0 HFADRO COCCN1CC2(CC[NH+]([C@H]3CC[C@H](C)C3)CC2)COc2ccccc2S1(=O)=O ZINC001170137206 1078041448 /nfs/dbraw/zinc/04/14/48/1078041448.db2.gz NCYKMEQQLBDQLY-OALUTQOASA-N 1 0 422.591 2.987 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000792988553 1078041682 /nfs/dbraw/zinc/04/16/82/1078041682.db2.gz FCIDNFLJCSEHFM-MISYRCLQSA-N 1 0 414.550 2.960 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000790486436 1078042514 /nfs/dbraw/zinc/04/25/14/1078042514.db2.gz OMDQLSUCDSRFFD-HKUYNNGSSA-N 1 0 419.570 2.553 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)N(CCO)Cc3cccnc3Cl)CCCC2)CC1 ZINC000792991169 1078042802 /nfs/dbraw/zinc/04/28/02/1078042802.db2.gz DTVUVWPCKCXWIS-UHFFFAOYSA-N 1 0 424.973 2.663 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)CCC2 ZINC000806298521 1079550262 /nfs/dbraw/zinc/55/02/62/1079550262.db2.gz JPQJDSZKTWOFOY-GOSISDBHSA-N 1 0 417.579 2.610 20 0 HFADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806302626 1079555753 /nfs/dbraw/zinc/55/57/53/1079555753.db2.gz GZZJAWNMELFLRC-HXUWFJFHSA-N 1 0 417.598 2.832 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000806307672 1079559758 /nfs/dbraw/zinc/55/97/58/1079559758.db2.gz SNSLTGZJVLRDBO-IEBWSBKVSA-N 1 0 418.538 2.752 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806309389 1079564028 /nfs/dbraw/zinc/56/40/28/1079564028.db2.gz DVPGKUXDEIXEQH-VQTJNVASSA-N 1 0 402.539 2.960 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000806290928 1079576082 /nfs/dbraw/zinc/57/60/82/1079576082.db2.gz XUGIRPIMYGKDMX-XZOQPEGZSA-N 1 0 423.557 2.513 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000806290925 1079576701 /nfs/dbraw/zinc/57/67/01/1079576701.db2.gz XUGIRPIMYGKDMX-DHIUTWEWSA-N 1 0 423.557 2.513 20 0 HFADRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000806296188 1079583325 /nfs/dbraw/zinc/58/33/25/1079583325.db2.gz YIEWDXCCMMQQTE-LJQANCHMSA-N 1 0 405.587 2.784 20 0 HFADRO CCCCC[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C(C)(C)C ZINC000806319856 1079591330 /nfs/dbraw/zinc/59/13/30/1079591330.db2.gz BHXYHGYKBQLBBS-HXUWFJFHSA-N 1 0 408.631 2.584 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000747325890 1079594559 /nfs/dbraw/zinc/59/45/59/1079594559.db2.gz QXULJQJGFYFOTG-WOJBJXKFSA-N 1 0 403.486 2.527 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000806323535 1079595853 /nfs/dbraw/zinc/59/58/53/1079595853.db2.gz UBIKODRHTHBCJQ-IRLDBZIGSA-N 1 0 403.567 2.807 20 0 HFADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)no1 ZINC001130610893 1079630492 /nfs/dbraw/zinc/63/04/92/1079630492.db2.gz WSUCSERJOFBDLF-IERDGZPVSA-N 1 0 416.547 2.824 20 0 HFADRO C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)C(C)(C)C ZINC000806391525 1079642736 /nfs/dbraw/zinc/64/27/36/1079642736.db2.gz XISCGWCMTICBKB-WOJBJXKFSA-N 1 0 421.557 2.580 20 0 HFADRO CCN(CCCC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1)c1ccc2c(=O)[nH][nH]c(=O)c2c1 ZINC001170507540 1079675417 /nfs/dbraw/zinc/67/54/17/1079675417.db2.gz CNCFPHHYGFUDKW-CABCVRRESA-N 1 0 402.495 2.579 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806434397 1079680191 /nfs/dbraw/zinc/68/01/91/1079680191.db2.gz KFNJTQCQADBNBU-WOJBJXKFSA-N 1 0 402.539 2.961 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000806394369 1079683310 /nfs/dbraw/zinc/68/33/10/1079683310.db2.gz LMCRHHIWWVHFHL-HXUWFJFHSA-N 1 0 402.539 2.697 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCc2ccon2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000806398911 1079685835 /nfs/dbraw/zinc/68/58/35/1079685835.db2.gz XWOATVOGELGTRT-RHSMWYFYSA-N 1 0 424.423 2.509 20 0 HFADRO C[N@H+](CCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)C1CCCCC1 ZINC000806399494 1079687965 /nfs/dbraw/zinc/68/79/65/1079687965.db2.gz PWDALNQMARBAGL-ICSRJNTNSA-N 1 0 424.586 2.720 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000806407041 1079694449 /nfs/dbraw/zinc/69/44/49/1079694449.db2.gz YMRIAMVHAUHZOW-AQNXPRMDSA-N 1 0 424.586 2.720 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)ccnc1-2 ZINC000806491064 1079741427 /nfs/dbraw/zinc/74/14/27/1079741427.db2.gz CFLCNAFOEIAXNM-INIZCTEOSA-N 1 0 406.412 2.785 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)ccnc1-2 ZINC000806490713 1079741929 /nfs/dbraw/zinc/74/19/29/1079741929.db2.gz KSSDBHSAYBTGNO-OAHLLOKOSA-N 1 0 418.423 2.757 20 0 HFADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(OC(F)(F)F)c1 ZINC000806504883 1079755293 /nfs/dbraw/zinc/75/52/93/1079755293.db2.gz FOLXXOXCSVLQQR-NWANDNLSSA-N 1 0 401.429 2.751 20 0 HFADRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000806477794 1079764252 /nfs/dbraw/zinc/76/42/52/1079764252.db2.gz MQAVGGGEXYAJNL-HOCLYGCPSA-N 1 0 406.531 2.669 20 0 HFADRO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1cn(C[C@H]2CCOC2)nn1 ZINC001130672817 1079823309 /nfs/dbraw/zinc/82/33/09/1079823309.db2.gz JRUMNUUUKFENBY-MRXNPFEDSA-N 1 0 401.536 2.755 20 0 HFADRO CN(C(=O)C(=O)NCCc1ccc(Cl)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000806595441 1079837286 /nfs/dbraw/zinc/83/72/86/1079837286.db2.gz OUQJOCAYYBKYQC-UHFFFAOYSA-N 1 0 414.937 2.517 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000806593604 1079837347 /nfs/dbraw/zinc/83/73/47/1079837347.db2.gz KJHBIHOJWQNQHL-QGZVFWFLSA-N 1 0 420.985 2.897 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000806594856 1079838156 /nfs/dbraw/zinc/83/81/56/1079838156.db2.gz STCHNYZGOOJIHT-SJLPKXTDSA-N 1 0 406.958 2.507 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)c1 ZINC000806634188 1079889954 /nfs/dbraw/zinc/88/99/54/1079889954.db2.gz GJGFHTHFVCXXOI-GOSISDBHSA-N 1 0 401.429 2.775 20 0 HFADRO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679586 1079908989 /nfs/dbraw/zinc/90/89/89/1079908989.db2.gz DIAINYLXLAJBCX-GDBMZVCRSA-N 1 0 419.740 2.945 20 0 HFADRO Cc1cc(I)cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000806684172 1079912331 /nfs/dbraw/zinc/91/23/31/1079912331.db2.gz RPVCOTYZZDVPQB-CABCVRRESA-N 1 0 415.275 2.584 20 0 HFADRO COc1cc([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)ccc1S(=O)(=O)C(F)F ZINC000806662061 1079927627 /nfs/dbraw/zinc/92/76/27/1079927627.db2.gz IGZZNAXYVQXJRE-AAEUAGOBSA-N 1 0 424.535 2.552 20 0 HFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)COCc2ccccn2)CC1 ZINC000806720843 1079945115 /nfs/dbraw/zinc/94/51/15/1079945115.db2.gz FYSUEPFAAPGUNF-QGZVFWFLSA-N 1 0 400.498 2.757 20 0 HFADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)c1ccc(Cl)cc1 ZINC000806729140 1079953480 /nfs/dbraw/zinc/95/34/80/1079953480.db2.gz WPLCIHAQPCXKFN-IBGZPJMESA-N 1 0 417.937 2.603 20 0 HFADRO O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733011 1079970862 /nfs/dbraw/zinc/97/08/62/1079970862.db2.gz HNNCPKOYURSDHH-OALUTQOASA-N 1 0 422.451 2.951 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)N3CCCC[C@H]3COC(=O)N(C)C)CCCC2)CC1 ZINC000806758295 1079975865 /nfs/dbraw/zinc/97/58/65/1079975865.db2.gz JYUJUZGDKXRYSG-SFHVURJKSA-N 1 0 424.586 2.672 20 0 HFADRO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCC[N@H+](C)CC(C)C)C2=O ZINC001130730954 1080002841 /nfs/dbraw/zinc/00/28/41/1080002841.db2.gz VVUIVIHKKHUFGB-UHFFFAOYSA-N 1 0 422.614 2.998 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@@]34CCO[C@@H]3CCCC4)cc2)CC1 ZINC001130742170 1080005597 /nfs/dbraw/zinc/00/55/97/1080005597.db2.gz LPKREAAZTHHDML-GGAORHGYSA-N 1 0 401.551 2.991 20 0 HFADRO C[C@@H](CN(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](C)CO)c1ccccc1 ZINC000806814156 1080027304 /nfs/dbraw/zinc/02/73/04/1080027304.db2.gz KRSGPDDGPKZBRE-IPJJNNNSSA-N 1 0 403.567 2.826 20 0 HFADRO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806813889 1080027929 /nfs/dbraw/zinc/02/79/29/1080027929.db2.gz DASWNBAYLKIGIV-ROUUACIJSA-N 1 0 415.456 2.681 20 0 HFADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000806814817 1080028181 /nfs/dbraw/zinc/02/81/81/1080028181.db2.gz IDBRHBQFMOSAKM-ZDUSSCGKSA-N 1 0 415.763 2.740 20 0 HFADRO Cc1ccc(CC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(Cl)n1 ZINC000806821045 1080039250 /nfs/dbraw/zinc/03/92/50/1080039250.db2.gz OWUKVPPAYUUZTK-LJQANCHMSA-N 1 0 414.937 2.600 20 0 HFADRO CN1CC[NH+](CCCCNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000806831772 1080044252 /nfs/dbraw/zinc/04/42/52/1080044252.db2.gz FILHFGLOVIHYQN-DEOSSOPVSA-N 1 0 424.589 2.959 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000806856922 1080062064 /nfs/dbraw/zinc/06/20/64/1080062064.db2.gz MMORMQWUFLZEFD-HXUWFJFHSA-N 1 0 416.566 2.784 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000806862859 1080065697 /nfs/dbraw/zinc/06/56/97/1080065697.db2.gz REUOCBKDNCNKRW-LEWJYISDSA-N 1 0 410.518 2.711 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000806878900 1080077949 /nfs/dbraw/zinc/07/79/49/1080077949.db2.gz YSZRFSHTDPFEKK-MRXNPFEDSA-N 1 0 415.559 2.942 20 0 HFADRO Cc1cc(NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)ccc1OCC[NH+]1CCCC1 ZINC000806886615 1080083373 /nfs/dbraw/zinc/08/33/73/1080083373.db2.gz OHPZCWXDGPVLQK-MRXNPFEDSA-N 1 0 413.440 2.961 20 0 HFADRO CSCCCCCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000806886311 1080083829 /nfs/dbraw/zinc/08/38/29/1080083829.db2.gz LLUREPWSCZLORP-BGYRXZFFSA-N 1 0 403.592 2.616 20 0 HFADRO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806888651 1080085296 /nfs/dbraw/zinc/08/52/96/1080085296.db2.gz KLFZOOGHEJKRTF-HZSPNIEDSA-N 1 0 407.902 2.548 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000806923286 1080092030 /nfs/dbraw/zinc/09/20/30/1080092030.db2.gz GQTBPSXYHRMEST-UMVBOHGHSA-N 1 0 403.470 2.801 20 0 HFADRO CN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000806924324 1080092800 /nfs/dbraw/zinc/09/28/00/1080092800.db2.gz GNZGKIVBNYPVRE-OAQYLSRUSA-N 1 0 409.530 2.976 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc3cc(OC)ccc3c2)C1 ZINC000806925446 1080093783 /nfs/dbraw/zinc/09/37/83/1080093783.db2.gz DLDFLUMVSVNSPO-OAQYLSRUSA-N 1 0 413.518 2.746 20 0 HFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Cc2ccc(F)cn2)CC1 ZINC000806925234 1080093977 /nfs/dbraw/zinc/09/39/77/1080093977.db2.gz NJPKRZFGQNYTNF-UHFFFAOYSA-N 1 0 410.415 2.850 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806913677 1080117886 /nfs/dbraw/zinc/11/78/86/1080117886.db2.gz CITDXIKXKFBPNV-SFHVURJKSA-N 1 0 409.530 2.976 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000806956255 1080121392 /nfs/dbraw/zinc/12/13/92/1080121392.db2.gz KXVVOJLPPWYSML-UWJYYQICSA-N 1 0 412.575 2.576 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000806992550 1080171322 /nfs/dbraw/zinc/17/13/22/1080171322.db2.gz VCXCLCQXUIVLRE-XPWALMASSA-N 1 0 415.578 2.828 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000806992551 1080171397 /nfs/dbraw/zinc/17/13/97/1080171397.db2.gz VCXCLCQXUIVLRE-YTFSRNRJSA-N 1 0 415.578 2.828 20 0 HFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001130806187 1080174679 /nfs/dbraw/zinc/17/46/79/1080174679.db2.gz GHMDCXXFYAEBDC-UHFFFAOYSA-N 1 0 404.898 2.619 20 0 HFADRO CCCc1sc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc1Br ZINC001130807110 1080176009 /nfs/dbraw/zinc/17/60/09/1080176009.db2.gz RRTITWPUIPKQNR-UHFFFAOYSA-N 1 0 404.374 2.555 20 0 HFADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806997453 1080176847 /nfs/dbraw/zinc/17/68/47/1080176847.db2.gz GRXNIWNXEQUFTD-UHFFFAOYSA-N 1 0 401.482 2.582 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000807037789 1080227485 /nfs/dbraw/zinc/22/74/85/1080227485.db2.gz CBQXMWLFCKCCGR-FGZHOGPDSA-N 1 0 424.545 2.788 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000807054189 1080238276 /nfs/dbraw/zinc/23/82/76/1080238276.db2.gz GCDRFDYZUFNWQG-IHPCNDPISA-N 1 0 403.592 2.757 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807056645 1080239493 /nfs/dbraw/zinc/23/94/93/1080239493.db2.gz GWQKCJYLLSLDSJ-DOPJRALCSA-N 1 0 413.534 2.863 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C[C@H]1C ZINC000807088470 1080266777 /nfs/dbraw/zinc/26/67/77/1080266777.db2.gz BXIFPHPFZJEXQV-JRGCBEDISA-N 1 0 401.551 2.602 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000747373350 1080268186 /nfs/dbraw/zinc/26/81/86/1080268186.db2.gz LEIKUFLCHLIDBD-KBRIMQKVSA-N 1 0 419.913 2.659 20 0 HFADRO C[NH+](C)CC1(CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CCCC1 ZINC000807089650 1080268196 /nfs/dbraw/zinc/26/81/96/1080268196.db2.gz JCEKZOHHUCGCNP-FQEVSTJZSA-N 1 0 401.551 2.509 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1 ZINC000807089215 1080269341 /nfs/dbraw/zinc/26/93/41/1080269341.db2.gz WXIPPGGTXBLBRM-QHCPKHFHSA-N 1 0 423.557 2.691 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000807149135 1080302754 /nfs/dbraw/zinc/30/27/54/1080302754.db2.gz SZTAHAJNTAXAOH-QRFRQXIXSA-N 1 0 420.554 2.854 20 0 HFADRO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000807150956 1080308356 /nfs/dbraw/zinc/30/83/56/1080308356.db2.gz VLHMNBLNNQAUNZ-NJAFHUGGSA-N 1 0 411.468 2.957 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cnc(C4OCCO4)s3)cc2)CC1 ZINC000807192218 1080342126 /nfs/dbraw/zinc/34/21/26/1080342126.db2.gz FKVOUPPGRYHQGK-UHFFFAOYSA-N 1 0 402.520 2.971 20 0 HFADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)[C@@H]3CCCC34OCCO4)cc2)C[C@H]1C ZINC000807193434 1080343100 /nfs/dbraw/zinc/34/31/00/1080343100.db2.gz QYXARTVRPKIIPZ-KNKQGSTJSA-N 1 0 416.562 2.855 20 0 HFADRO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807200028 1080348476 /nfs/dbraw/zinc/34/84/76/1080348476.db2.gz CEJRAVBDIBNSSR-KNKQGSTJSA-N 1 0 403.592 2.805 20 0 HFADRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CC[N@@H+]2C2CC2)c1 ZINC000807205102 1080351778 /nfs/dbraw/zinc/35/17/78/1080351778.db2.gz AEYRYHVXQRWHSD-SJLPKXTDSA-N 1 0 414.893 2.550 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)C2)cc1F ZINC000807213342 1080365156 /nfs/dbraw/zinc/36/51/56/1080365156.db2.gz FCTQVFFGORBAJU-PVAVHDDUSA-N 1 0 404.486 2.596 20 0 HFADRO C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)CCCO1 ZINC000807180692 1080373574 /nfs/dbraw/zinc/37/35/74/1080373574.db2.gz LGORAJAEAURDSD-ICSRJNTNSA-N 1 0 424.586 2.720 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000807182009 1080374452 /nfs/dbraw/zinc/37/44/52/1080374452.db2.gz WBVGVYCQUDRFGY-UGKGYDQZSA-N 1 0 403.567 2.951 20 0 HFADRO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001170519400 1080379640 /nfs/dbraw/zinc/37/96/40/1080379640.db2.gz PQTSOJRXPQZEAW-HXUWFJFHSA-N 1 0 400.567 2.662 20 0 HFADRO CN1CCc2nc3ccccc3c(C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2C1 ZINC000747377785 1080380216 /nfs/dbraw/zinc/38/02/16/1080380216.db2.gz ZUCHYGDILUTRDG-NPFVIJTESA-N 1 0 408.546 2.546 20 0 HFADRO CCOC(=O)C1=C(Nc2ccccc2OS(=O)(=O)c2ccc(C)cc2)CC[NH2+]C1 ZINC001170520405 1080393303 /nfs/dbraw/zinc/39/33/03/1080393303.db2.gz GWJXWVLGZBFGAS-UHFFFAOYSA-N 1 0 416.499 2.985 20 0 HFADRO O=C(NCCO[C@H]1CC1(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001130894629 1080425898 /nfs/dbraw/zinc/42/58/98/1080425898.db2.gz RMXGQYWIDZLBRD-ZCNNSNEGSA-N 1 0 401.457 2.838 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC(C)(C)c3cccs3)cc2)CC1 ZINC000807276560 1080431753 /nfs/dbraw/zinc/43/17/53/1080431753.db2.gz ZPPSBOSYBHHUJC-UHFFFAOYSA-N 1 0 400.548 2.880 20 0 HFADRO CCOC(=O)C1=C(Nc2ncccc2C(=O)N(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001170521005 1080441052 /nfs/dbraw/zinc/44/10/52/1080441052.db2.gz DRFSYPVUHKFFIQ-UHFFFAOYSA-N 1 0 408.502 2.918 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1ccc(C(=O)NC(C)C)nn1 ZINC001170521977 1080492388 /nfs/dbraw/zinc/49/23/88/1080492388.db2.gz RVVKEBHXTNPQMT-UHFFFAOYSA-N 1 0 423.517 2.750 20 0 HFADRO CCOC(=O)C1=C(N=c2cc(-n3ccnc3)[nH]cn2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522057 1080495451 /nfs/dbraw/zinc/49/54/51/1080495451.db2.gz VXVFHNVZANJWJM-UHFFFAOYSA-N 1 0 404.474 2.797 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cnc(Br)cc1C)c1ccco1 ZINC000807310836 1080504274 /nfs/dbraw/zinc/50/42/74/1080504274.db2.gz UDWJFAKCKOWUQD-OCCSQVGLSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cnc(Br)c(C)c1)c1ccco1 ZINC000807310601 1080504305 /nfs/dbraw/zinc/50/43/05/1080504305.db2.gz NRXXVFIUWBLVOF-TZMCWYRMSA-N 1 0 423.311 2.930 20 0 HFADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000807354567 1080517093 /nfs/dbraw/zinc/51/70/93/1080517093.db2.gz LTXHSXNGKATZGL-QFBILLFUSA-N 1 0 416.522 2.915 20 0 HFADRO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1N1CCSCC1 ZINC000807355554 1080518403 /nfs/dbraw/zinc/51/84/03/1080518403.db2.gz RYVPIIPIVFKBGP-IEBWSBKVSA-N 1 0 416.591 2.572 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807334730 1080534872 /nfs/dbraw/zinc/53/48/72/1080534872.db2.gz SUJLFYGYITXSNX-UHFFFAOYSA-N 1 0 403.914 2.799 20 0 HFADRO Cc1csc([C@@H](C)CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000807350868 1080557086 /nfs/dbraw/zinc/55/70/86/1080557086.db2.gz VQVAQXTWHKORSH-AOMKIAJQSA-N 1 0 414.575 2.700 20 0 HFADRO CCOC(=O)C1C[N@H+](Cc2ccccc2)CC=C1Nc1ccnc(C(=O)OC)c1C ZINC001170523051 1080569824 /nfs/dbraw/zinc/56/98/24/1080569824.db2.gz ZHSSIYBKXAGRLC-UHFFFAOYSA-N 1 0 409.486 2.734 20 0 HFADRO COc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000747394618 1080570053 /nfs/dbraw/zinc/57/00/53/1080570053.db2.gz VLELYCDFFXSISP-INIZCTEOSA-N 1 0 405.568 2.725 20 0 HFADRO C[C@H](O)c1cc(NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1F ZINC000807399906 1080595214 /nfs/dbraw/zinc/59/52/14/1080595214.db2.gz OTQRNBBGBGCXEJ-KPZWWZAWSA-N 1 0 401.438 2.841 20 0 HFADRO C[C@H](NC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000807401073 1080596683 /nfs/dbraw/zinc/59/66/83/1080596683.db2.gz ISNSORHDNAIISL-FUHWJXTLSA-N 1 0 403.596 2.886 20 0 HFADRO C[C@H](NC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000807402801 1080597757 /nfs/dbraw/zinc/59/77/57/1080597757.db2.gz MOUHACLQHWSXOV-YTQUADARSA-N 1 0 420.554 2.613 20 0 HFADRO C[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807402718 1080597844 /nfs/dbraw/zinc/59/78/44/1080597844.db2.gz LJSPOTSRSFKUMO-ROPHOZQPSA-N 1 0 401.507 2.805 20 0 HFADRO C[C@@H](NC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807405076 1080599097 /nfs/dbraw/zinc/59/90/97/1080599097.db2.gz JKDXVOSHLRJHHS-PBHICJAKSA-N 1 0 414.472 2.778 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)[NH+](C)C ZINC000807407023 1080601825 /nfs/dbraw/zinc/60/18/25/1080601825.db2.gz HLGDAWZUCITEFN-DZFGPLHGSA-N 1 0 413.566 2.875 20 0 HFADRO C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000807408526 1080603972 /nfs/dbraw/zinc/60/39/72/1080603972.db2.gz ONPWWXHAODRYIY-INIZCTEOSA-N 1 0 415.538 2.755 20 0 HFADRO C[C@H]1CC[C@@H]1NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000807410132 1080604651 /nfs/dbraw/zinc/60/46/51/1080604651.db2.gz UUSQQBZPEJHOMR-LPHOPBHVSA-N 1 0 400.523 2.744 20 0 HFADRO O=C(NCC(F)(F)Br)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000807446477 1080625555 /nfs/dbraw/zinc/62/55/55/1080625555.db2.gz NSXXYVOFDFLGEH-UHFFFAOYSA-N 1 0 404.255 2.715 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCN(C2=NCC(C)(C)S2)CC1)c1ccco1 ZINC000807441170 1080661717 /nfs/dbraw/zinc/66/17/17/1080661717.db2.gz BPWKLJDVJLRPOS-HOTGVXAUSA-N 1 0 407.584 2.917 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)c1ccco1 ZINC000807442071 1080662540 /nfs/dbraw/zinc/66/25/40/1080662540.db2.gz VMFBJZQECZNYEH-UAGQMJEPSA-N 1 0 417.506 2.985 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)c1ccco1 ZINC000807442072 1080662579 /nfs/dbraw/zinc/66/25/79/1080662579.db2.gz VMFBJZQECZNYEH-USXIJHARSA-N 1 0 417.506 2.985 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccco1 ZINC000807444848 1080665470 /nfs/dbraw/zinc/66/54/70/1080665470.db2.gz KHVDUTHEEJAITJ-HIFRSBDPSA-N 1 0 418.460 2.809 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccnn1C1CCCCC1)c1ccc(F)cc1 ZINC000807486692 1080669418 /nfs/dbraw/zinc/66/94/18/1080669418.db2.gz KLTWNKZQNSFCGT-SFHVURJKSA-N 1 0 401.486 2.885 20 0 HFADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000807487440 1080671396 /nfs/dbraw/zinc/67/13/96/1080671396.db2.gz WSZNRTWRSNVNJV-GOSISDBHSA-N 1 0 423.435 2.864 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807497464 1080691334 /nfs/dbraw/zinc/69/13/34/1080691334.db2.gz AXAXHDOUKGJLHQ-NLFFAJNJSA-N 1 0 423.557 2.523 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000807506598 1080709489 /nfs/dbraw/zinc/70/94/89/1080709489.db2.gz HPEKJIAPLQFTPO-XMMPIXPASA-N 1 0 415.578 2.515 20 0 HFADRO CC[C@@H](c1cccc(OC)c1)N(C)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000807540911 1080756029 /nfs/dbraw/zinc/75/60/29/1080756029.db2.gz AQKDCBSXTUQFPS-NRFANRHFSA-N 1 0 424.545 2.995 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000807546918 1080763380 /nfs/dbraw/zinc/76/33/80/1080763380.db2.gz SLGUXJLSOXQPIP-NIKGAXFTSA-N 1 0 412.559 2.582 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCCC3(F)F)cc2)CC1 ZINC000807521389 1080773335 /nfs/dbraw/zinc/77/33/35/1080773335.db2.gz FDDCPPSDGDURQZ-SFHVURJKSA-N 1 0 408.493 2.707 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C[C@H]1C ZINC000747400988 1080778481 /nfs/dbraw/zinc/77/84/81/1080778481.db2.gz BAQDDVVHMANWSX-WBVHZDCISA-N 1 0 417.579 2.964 20 0 HFADRO CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cncn1C ZINC001130995822 1080799336 /nfs/dbraw/zinc/79/93/36/1080799336.db2.gz MDXQRTDPAQZFNQ-FDKIHUSFSA-N 1 0 400.567 2.723 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000807556028 1080806952 /nfs/dbraw/zinc/80/69/52/1080806952.db2.gz JVNYCHUNWUYPFV-QGZVFWFLSA-N 1 0 406.958 2.630 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807556937 1080808425 /nfs/dbraw/zinc/80/84/25/1080808425.db2.gz VOQAJLRYHUGMLZ-QFIPXVFZSA-N 1 0 414.937 2.688 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807556936 1080808508 /nfs/dbraw/zinc/80/85/08/1080808508.db2.gz VOQAJLRYHUGMLZ-JOCHJYFZSA-N 1 0 414.937 2.688 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000807559378 1080811070 /nfs/dbraw/zinc/81/10/70/1080811070.db2.gz PNTHTMRYBGHMPT-UHFFFAOYSA-N 1 0 424.879 2.528 20 0 HFADRO O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1cnc(N2CCOCC2)s1)C(F)(F)F ZINC000604766203 1126100045 /nfs/dbraw/zinc/10/00/45/1126100045.db2.gz OCEKHRQXMQCWJW-CVEARBPZSA-N 1 0 401.454 2.604 20 0 HFADRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1OC ZINC001203581372 1126159010 /nfs/dbraw/zinc/15/90/10/1126159010.db2.gz LXIDIIQOLOMOOW-NFBKMPQASA-N 1 0 401.503 2.955 20 0 HFADRO CCOC(=O)c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)on1 ZINC001460423206 1126191164 /nfs/dbraw/zinc/19/11/64/1126191164.db2.gz NWOKEKWBWZZUCI-GOSISDBHSA-N 1 0 409.280 2.623 20 0 HFADRO OC[C@]1([NH2+]Cc2nnc3n2CCCCC3)CCc2cc(Br)ccc2C1 ZINC001559996741 1126207114 /nfs/dbraw/zinc/20/71/14/1126207114.db2.gz FOFFGDPXYBNHDN-IBGZPJMESA-N 1 0 405.340 2.777 20 0 HFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164386669 718802996 /nfs/dbraw/zinc/80/29/96/718802996.db2.gz CTDMINHZXYEBHX-UHFFFAOYSA-N 1 0 401.889 2.624 20 0 HFADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)c(Cl)nn1 ZINC001164391890 718826182 /nfs/dbraw/zinc/82/61/82/718826182.db2.gz XRPBZEZDPRCGKR-WMLDXEAASA-N 1 0 410.852 2.918 20 0 HFADRO Clc1nc2c(c(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164401100 718861809 /nfs/dbraw/zinc/86/18/09/718861809.db2.gz BZYFCOPSNWBEPB-PXNSSMCTSA-N 1 0 413.953 2.503 20 0 HFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001164406478 718864294 /nfs/dbraw/zinc/86/42/94/718864294.db2.gz GYWAUIXVIOBRBU-SJORKVTESA-N 1 0 403.596 2.965 20 0 HFADRO CS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)cnc1Cl ZINC001164429899 718948200 /nfs/dbraw/zinc/94/82/00/718948200.db2.gz QMGXCVCCBZQUES-LSDHHAIUSA-N 1 0 413.877 2.759 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164433518 718971613 /nfs/dbraw/zinc/97/16/13/718971613.db2.gz LZWZXPSFBOYXCN-IRXDYDNUSA-N 1 0 405.848 2.987 20 0 HFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccnc(Cl)n1)C2 ZINC001164620392 719006548 /nfs/dbraw/zinc/00/65/48/719006548.db2.gz YUPJJMVKJYDFKX-UGSOOPFHSA-N 1 0 414.884 2.824 20 0 HFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164615366 719013618 /nfs/dbraw/zinc/01/36/18/719013618.db2.gz IMIYUCWBWBFXGI-TVYUQYBPSA-N 1 0 414.815 2.697 20 0 HFADRO CCOC(=O)c1cc(C)cnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164617481 719026780 /nfs/dbraw/zinc/02/67/80/719026780.db2.gz MIEYUDNDAAZLDE-UHFFFAOYSA-N 1 0 403.523 2.811 20 0 HFADRO CCOC(=O)c1ncnc(Cl)c1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164617513 719030987 /nfs/dbraw/zinc/03/09/87/719030987.db2.gz NAGSEQXHKMPLTI-UHFFFAOYSA-N 1 0 424.929 2.551 20 0 HFADRO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626651 719082766 /nfs/dbraw/zinc/08/27/66/719082766.db2.gz OXLCHXJACAOBJS-KGLIPLIRSA-N 1 0 406.317 2.983 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H](C)[N@H+](C)C[C@H]3C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164635588 719226397 /nfs/dbraw/zinc/22/63/97/719226397.db2.gz JFUYCKDUQIDRFK-XUWVNRHRSA-N 1 0 422.524 2.755 20 0 HFADRO CC(C)N(C)Cc1nn(-c2ncccc2C(=O)NCc2ccccc2)c2c1CC[NH2+]C2 ZINC001164685726 719607856 /nfs/dbraw/zinc/60/78/56/719607856.db2.gz VQFHXLUTAQCNJE-UHFFFAOYSA-N 1 0 418.545 2.683 20 0 HFADRO COc1cccc2nc(Cl)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c21 ZINC001164682063 719625331 /nfs/dbraw/zinc/62/53/31/719625331.db2.gz LQZRPCMUIJZHFC-UHFFFAOYSA-N 1 0 400.914 2.963 20 0 HFADRO CC(C)N(C)Cc1nn(-c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164682993 719627981 /nfs/dbraw/zinc/62/79/81/719627981.db2.gz QHCVFNDVYQYOCP-UHFFFAOYSA-N 1 0 418.973 2.935 20 0 HFADRO CC(C)N(C)Cc1nn(C(F)(F)c2c3c(nnc2Cl)CCC3)c2c1CC[NH2+]C2 ZINC001164679757 719640315 /nfs/dbraw/zinc/64/03/15/719640315.db2.gz MAWGIDOTWZGIOV-UHFFFAOYSA-N 1 0 410.900 2.899 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(NC3CC3)n1)CC2 ZINC001164712004 720092538 /nfs/dbraw/zinc/09/25/38/720092538.db2.gz TWLNWKGKGWXSIE-FQEVSTJZSA-N 1 0 408.550 2.953 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C(=O)OC)ccn1)CC2 ZINC001164710996 720095160 /nfs/dbraw/zinc/09/51/60/720095160.db2.gz MPHPOKOQGCEIHQ-HXUWFJFHSA-N 1 0 410.518 2.771 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)cc(OC)c31)C2 ZINC001164807398 720126270 /nfs/dbraw/zinc/12/62/70/720126270.db2.gz CGHPLMDRIBSUKU-GAJHUEQPSA-N 1 0 412.534 2.832 20 0 HFADRO Cn1nnc2c1CCN(c1cccc(OC(C)(C)C)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719523 720187416 /nfs/dbraw/zinc/18/74/16/720187416.db2.gz VPASPSYLRKHLSB-SFHVURJKSA-N 1 0 414.554 2.604 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc(Cl)c1[C@@H](C)C(=O)OC)C2 ZINC001164811829 720201459 /nfs/dbraw/zinc/20/14/59/720201459.db2.gz KFSJRZDRSVHJKZ-IVZHQMGZSA-N 1 0 422.957 2.591 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@H](F)Oc1ccc(Cl)nc1)CCC2 ZINC001164811974 720224172 /nfs/dbraw/zinc/22/41/72/720224172.db2.gz BQIQHNMMAXHGDP-IBGZPJMESA-N 1 0 409.893 2.670 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H](F)Oc1cccc(Cl)n1)CCC2 ZINC001164813434 720224444 /nfs/dbraw/zinc/22/44/44/720224444.db2.gz MBVUMTCNTZVFOM-LJQANCHMSA-N 1 0 409.893 2.670 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncn2)CC1 ZINC001164819531 720286484 /nfs/dbraw/zinc/28/64/84/720286484.db2.gz RMGWGSDMJZJCJT-CABCVRRESA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)c3ccncc32)CC1 ZINC001164825964 720300051 /nfs/dbraw/zinc/30/00/51/720300051.db2.gz UVOREVWHMUQCHQ-QZTJIDSGSA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3nc(Cl)ccc32)CC1 ZINC001164825149 720301066 /nfs/dbraw/zinc/30/10/66/720301066.db2.gz SSJFFYARIBRSLA-DLBZAZTESA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3cnccc32)CC1 ZINC001164819173 720309620 /nfs/dbraw/zinc/30/96/20/720309620.db2.gz CQLQFSNOKZVOEF-QZTJIDSGSA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3ncccc3nc2Cl)CC1 ZINC001164831942 720317314 /nfs/dbraw/zinc/31/73/14/720317314.db2.gz SINHEXYWZKWAHE-SJORKVTESA-N 1 0 414.941 2.590 20 0 HFADRO COc1cccc2cnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164823275 720320984 /nfs/dbraw/zinc/32/09/84/720320984.db2.gz AFRNCMXEVCKHSJ-OALUTQOASA-N 1 0 409.534 2.550 20 0 HFADRO CCOc1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164829837 720321719 /nfs/dbraw/zinc/32/17/19/720321719.db2.gz OHQVSUHFGNNBMR-FCHUYYIVSA-N 1 0 423.561 2.940 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3cc(Cl)cnc32)CC1 ZINC001164828499 720324310 /nfs/dbraw/zinc/32/43/10/720324310.db2.gz JWXAJBRUZGLANN-ROUUACIJSA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(-c3cccnc3F)n2)CC1 ZINC001164825393 720329483 /nfs/dbraw/zinc/32/94/83/720329483.db2.gz DMPLPQKTHAVXFB-PMACEKPBSA-N 1 0 424.524 2.589 20 0 HFADRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccncc2)n1 ZINC001164822752 720336136 /nfs/dbraw/zinc/33/61/36/720336136.db2.gz FDUMRHOLRAQNAI-RTWAWAEBSA-N 1 0 420.561 2.759 20 0 HFADRO COc1nnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc21 ZINC001164827475 720337768 /nfs/dbraw/zinc/33/77/68/720337768.db2.gz MBDLMCQMYJMXPE-UXHICEINSA-N 1 0 409.534 2.550 20 0 HFADRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)o1 ZINC001164829565 720345346 /nfs/dbraw/zinc/34/53/46/720345346.db2.gz SNIDGRPCJQNQDR-WOJBJXKFSA-N 1 0 409.534 2.957 20 0 HFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)[nH]1 ZINC001164724728 720403391 /nfs/dbraw/zinc/40/33/91/720403391.db2.gz LHAHQPMARHJKAL-HZPDHXFCSA-N 1 0 412.881 2.646 20 0 HFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)[nH]1 ZINC001164724727 720403608 /nfs/dbraw/zinc/40/36/08/720403608.db2.gz LHAHQPMARHJKAL-HOTGVXAUSA-N 1 0 412.881 2.646 20 0 HFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)no1 ZINC001164734793 720432366 /nfs/dbraw/zinc/43/23/66/720432366.db2.gz UOFHDYRTDSXWKC-MOPGFXCFSA-N 1 0 404.474 2.879 20 0 HFADRO C[N@H+](Cc1ccc(N2CC[C@H]3[C@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1)C1CC1 ZINC001164836106 720502773 /nfs/dbraw/zinc/50/27/73/720502773.db2.gz MOPAABMQBZAFMU-NNWRFLSQSA-N 1 0 412.578 2.920 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)C1 ZINC001164736535 720530296 /nfs/dbraw/zinc/53/02/96/720530296.db2.gz ZHFFRNQAOXLBSW-LBPRGKRZSA-N 1 0 423.855 2.724 20 0 HFADRO COc1ccc(Oc2cc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc(C)n2)cc1 ZINC001164735993 720531241 /nfs/dbraw/zinc/53/12/41/720531241.db2.gz TWLJKRGQMWCUCA-KRWDZBQOSA-N 1 0 408.506 2.980 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4ccc(=O)n(C)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841471 720547754 /nfs/dbraw/zinc/54/77/54/720547754.db2.gz WBHGSDJHCWCXTF-HSALFYBXSA-N 1 0 406.534 2.508 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc4c3CNC4=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836318 720563891 /nfs/dbraw/zinc/56/38/91/720563891.db2.gz JODJGODOHPZZER-RVKKMQEKSA-N 1 0 414.941 2.553 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3[nH+][n-]c(Cl)c4ncnc3-4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836828 720566762 /nfs/dbraw/zinc/56/67/62/720566762.db2.gz LGEBYMWCSMCGBA-SOUVJXGZSA-N 1 0 400.918 2.581 20 0 HFADRO CCCSc1ncnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1OC ZINC001164738186 720595911 /nfs/dbraw/zinc/59/59/11/720595911.db2.gz ATPKBZZOZYZAAJ-UHFFFAOYSA-N 1 0 402.568 2.842 20 0 HFADRO CCCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164843124 720602605 /nfs/dbraw/zinc/60/26/05/720602605.db2.gz WMUDOBWSZRNMLA-IRFCIJBXSA-N 1 0 410.566 2.796 20 0 HFADRO CC(C)n1cnc2cnc(N3CC[C@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc21 ZINC001164837221 720606574 /nfs/dbraw/zinc/60/65/74/720606574.db2.gz HRGKTIIXEKXQEJ-BJLQDIEVSA-N 1 0 408.554 2.982 20 0 HFADRO Clc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164740193 720636736 /nfs/dbraw/zinc/63/67/36/720636736.db2.gz HQGDOPTVWMOYAA-ROUUACIJSA-N 1 0 408.893 2.929 20 0 HFADRO CSc1nc2ccsc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164738457 720685342 /nfs/dbraw/zinc/68/53/42/720685342.db2.gz JVDZUPPROAUPRS-QWHCGFSZSA-N 1 0 400.533 2.545 20 0 HFADRO CCOC(=O)c1cncc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164839780 720687838 /nfs/dbraw/zinc/68/78/38/720687838.db2.gz BRQDXRISPXYBDD-IBGZPJMESA-N 1 0 410.518 2.913 20 0 HFADRO CCOC(=O)Cc1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164839758 720696859 /nfs/dbraw/zinc/69/68/59/720696859.db2.gz BOPNVHDYWDUFET-OAQYLSRUSA-N 1 0 424.545 2.842 20 0 HFADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCC3 ZINC001164739301 720757412 /nfs/dbraw/zinc/75/74/12/720757412.db2.gz IDEYOISCGKFOPK-GJZGRUSLSA-N 1 0 408.531 2.620 20 0 HFADRO Cc1nc2sc3c(c2c(N2CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCC3 ZINC001164739299 720758614 /nfs/dbraw/zinc/75/86/14/720758614.db2.gz IDEYOISCGKFOPK-CABCVRRESA-N 1 0 408.531 2.620 20 0 HFADRO Clc1cccc(-c2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncn2)c1 ZINC001164738946 720770875 /nfs/dbraw/zinc/77/08/75/720770875.db2.gz HAKRQQGVNUXFFK-QZTJIDSGSA-N 1 0 408.893 2.929 20 0 HFADRO Fc1cc2ncc(Cl)nc2cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742908 720778770 /nfs/dbraw/zinc/77/87/70/720778770.db2.gz PIURJATZYRTHBU-QWHCGFSZSA-N 1 0 400.845 2.554 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164747534 720799402 /nfs/dbraw/zinc/79/94/02/720799402.db2.gz OOTNTYYLUVPAJJ-IAGOWNOFSA-N 1 0 423.908 2.632 20 0 HFADRO c1ccc(SCc2nccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164749807 720802413 /nfs/dbraw/zinc/80/24/13/720802413.db2.gz UOQVMYZWOQSLHL-MSOLQXFVSA-N 1 0 420.542 2.901 20 0 HFADRO Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1F ZINC001164745509 720802536 /nfs/dbraw/zinc/80/25/36/720802536.db2.gz KQUUANLJUXOCEE-DLBZAZTESA-N 1 0 406.465 2.723 20 0 HFADRO Clc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)n1 ZINC001164744878 720815134 /nfs/dbraw/zinc/81/51/34/720815134.db2.gz JEDONFGVZSBGFM-OKZBNKHCSA-N 1 0 413.957 2.978 20 0 HFADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738389 720817509 /nfs/dbraw/zinc/81/75/09/720817509.db2.gz FENXMROIRXSZSU-OWCLPIDISA-N 1 0 423.899 2.646 20 0 HFADRO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743289 720820225 /nfs/dbraw/zinc/82/02/25/720820225.db2.gz RXDBXICLPVFXLK-YTXYEVPYSA-N 1 0 420.920 2.833 20 0 HFADRO Clc1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743338 720825684 /nfs/dbraw/zinc/82/56/84/720825684.db2.gz SHESNRRYKJANID-QLFBSQMISA-N 1 0 408.337 2.754 20 0 HFADRO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1C ZINC001164739533 720832190 /nfs/dbraw/zinc/83/21/90/720832190.db2.gz AZFAVATVKOILMC-SVFBPWRDSA-N 1 0 424.549 2.538 20 0 HFADRO Clc1cc2[nH]cnc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746541 720835484 /nfs/dbraw/zinc/83/54/84/720835484.db2.gz OJEDVHSRWNXXJP-HDMKZQKVSA-N 1 0 412.929 2.582 20 0 HFADRO COc1nnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc21 ZINC001164748013 720846425 /nfs/dbraw/zinc/84/64/25/720846425.db2.gz SETUTENOHPLPPY-BBTUJRGHSA-N 1 0 419.533 2.609 20 0 HFADRO c1ncn(C[C@H]2C[C@H]3CN(c4ccc(-c5ccccn5)nn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746117 720852444 /nfs/dbraw/zinc/85/24/44/720852444.db2.gz FSIBXMAHTSYCMV-NNMXDRDESA-N 1 0 416.533 2.510 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747172 720856568 /nfs/dbraw/zinc/85/65/68/720856568.db2.gz IAUHRGKEOTWVGM-QKNQBKEWSA-N 1 0 424.549 2.618 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@@H]2C1 ZINC001164863751 720874641 /nfs/dbraw/zinc/87/46/41/720874641.db2.gz UBUXDNQAWMXPSG-XMSQKQJNSA-N 1 0 419.529 2.865 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4oc(-c5ccc(C)cc5)nc43)CC[C@@H]2C1 ZINC001164864709 720877678 /nfs/dbraw/zinc/87/76/78/720877678.db2.gz WOUPVBHLSWPDCS-RTBURBONSA-N 1 0 423.517 2.767 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@@H]2C1 ZINC001164853370 720877694 /nfs/dbraw/zinc/87/76/94/720877694.db2.gz CCTHBWZFDQPFAS-PBHICJAKSA-N 1 0 416.900 2.726 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3cc(-c4cccc(Cl)c4)ncn3)CC[C@H]2C1 ZINC001164863831 720879317 /nfs/dbraw/zinc/87/93/17/720879317.db2.gz UUPAQJHLLIMHGY-PXNSSMCTSA-N 1 0 402.926 2.971 20 0 HFADRO CN(C)c1nccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753861 720884397 /nfs/dbraw/zinc/88/43/97/720884397.db2.gz HIZVVQPZEOFUAQ-XUZZJYLKSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3c(Cl)nc(Cl)nc3C3CC3)CC[C@H]2C1 ZINC001164865214 720889358 /nfs/dbraw/zinc/88/93/58/720889358.db2.gz YWBHMBGFISHKGC-KBPBESRZSA-N 1 0 401.338 2.834 20 0 HFADRO CC(C)c1cc2c(ncnc2N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)s1 ZINC001164750567 720944241 /nfs/dbraw/zinc/94/42/41/720944241.db2.gz JUMNMEQBXASZNT-UHFFFAOYSA-N 1 0 414.535 2.657 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164748644 720951061 /nfs/dbraw/zinc/95/10/61/720951061.db2.gz CHYNSTDDKFEYIU-UHFFFAOYSA-N 1 0 405.911 2.792 20 0 HFADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164753681 720967972 /nfs/dbraw/zinc/96/79/72/720967972.db2.gz HYTJIZTVVDGBKC-UHFFFAOYSA-N 1 0 417.872 2.869 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870441 721042890 /nfs/dbraw/zinc/04/28/90/721042890.db2.gz VWHWPGPHYOVDGM-ROUUACIJSA-N 1 0 416.909 2.786 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164762517 721071493 /nfs/dbraw/zinc/07/14/93/721071493.db2.gz FDHBFXMFBURIBS-WBVHZDCISA-N 1 0 403.914 2.604 20 0 HFADRO CCOC(=O)c1c(Cl)cc(C)nc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773488 721078590 /nfs/dbraw/zinc/07/85/90/721078590.db2.gz XJMAVXDKLKHMII-SJORKVTESA-N 1 0 417.941 2.912 20 0 HFADRO COCc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164766586 721081475 /nfs/dbraw/zinc/08/14/75/721081475.db2.gz KWQUWFHSYIQQHF-NHCUHLMSSA-N 1 0 418.545 2.982 20 0 HFADRO COc1cc(C(F)(F)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc(Cl)n1 ZINC001164772020 721084005 /nfs/dbraw/zinc/08/40/05/721084005.db2.gz SXBISRLBIHNUAK-HUUCEWRRSA-N 1 0 411.884 2.980 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@@H]3C2)cn1 ZINC001164763697 721088008 /nfs/dbraw/zinc/08/80/08/721088008.db2.gz GRIWMYBOSWYPJO-GJZGRUSLSA-N 1 0 404.971 2.611 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cncc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164766543 721093588 /nfs/dbraw/zinc/09/35/88/721093588.db2.gz KTPXMAADUPRKID-NHCUHLMSSA-N 1 0 404.518 2.747 20 0 HFADRO c1ccc(COc2cnnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)cc1 ZINC001164864837 721103865 /nfs/dbraw/zinc/10/38/65/721103865.db2.gz GSBWWHNFGNWDEB-GMAHTHKFSA-N 1 0 417.513 2.930 20 0 HFADRO COc1cc2nc(C)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164763406 721135992 /nfs/dbraw/zinc/13/59/92/721135992.db2.gz FMNWOEPCEPDTPA-ZWKOTPCHSA-N 1 0 422.533 2.647 20 0 HFADRO Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccncc2)n1 ZINC001164875351 721135981 /nfs/dbraw/zinc/13/59/81/721135981.db2.gz KXVIUAPSMBCDNY-RTWAWAEBSA-N 1 0 402.502 2.722 20 0 HFADRO CCOC(=O)c1cnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1 ZINC001164773312 721139381 /nfs/dbraw/zinc/13/93/81/721139381.db2.gz YEQYYQNRTQXRFU-RDJZCZTQSA-N 1 0 403.914 2.604 20 0 HFADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc21 ZINC001164869793 721169951 /nfs/dbraw/zinc/16/99/51/721169951.db2.gz BPZUQZKSMDHWQJ-RTBURBONSA-N 1 0 418.497 2.896 20 0 HFADRO COC(=O)c1cccc2nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc21 ZINC001164770809 721225952 /nfs/dbraw/zinc/22/59/52/721225952.db2.gz OOHHQIMOEYBMBA-MSOLQXFVSA-N 1 0 405.502 2.713 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)C[C@@H]3C2)cn1 ZINC001164759519 721237176 /nfs/dbraw/zinc/23/71/76/721237176.db2.gz ARTCWASUJRNOKV-MSOLQXFVSA-N 1 0 409.925 2.884 20 0 HFADRO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164879646 721291822 /nfs/dbraw/zinc/29/18/22/721291822.db2.gz YFASAPFIIOJWLR-UHFFFAOYSA-N 1 0 423.989 2.569 20 0 HFADRO c1ccc(N2CCN(c3ccc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)nn3)CC2)cc1 ZINC001164768842 721298932 /nfs/dbraw/zinc/29/89/32/721298932.db2.gz HYBILHSSFBDVGR-UHFFFAOYSA-N 1 0 404.562 2.725 20 0 HFADRO C[N@H+](Cc1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1)C1CC1 ZINC001164876893 721329509 /nfs/dbraw/zinc/32/95/09/721329509.db2.gz RLKAGPLWTBVOQT-LJQANCHMSA-N 1 0 417.517 2.992 20 0 HFADRO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ccn4C)C2)C1 ZINC001164776399 721337832 /nfs/dbraw/zinc/33/78/32/721337832.db2.gz FFMGEYVBRXZVPA-JOCHJYFZSA-N 1 0 410.522 2.692 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893608 721382604 /nfs/dbraw/zinc/38/26/04/721382604.db2.gz WBNGAZPQQHLCAQ-HNAYVOBHSA-N 1 0 412.003 2.617 20 0 HFADRO Cc1nc2cc(F)ccc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890900 721397355 /nfs/dbraw/zinc/39/73/55/721397355.db2.gz PCQJWXBDRYXNNX-WMZHIEFXSA-N 1 0 413.541 2.843 20 0 HFADRO Clc1cc(C2CC[NH2+]CC2)nc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789915 721402422 /nfs/dbraw/zinc/40/24/22/721402422.db2.gz VEMAMLWGQOXOIR-HUUCEWRRSA-N 1 0 404.971 2.622 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164887729 721411705 /nfs/dbraw/zinc/41/17/05/721411705.db2.gz MSJSULUANDIEAH-PWIZWCRZSA-N 1 0 412.937 2.628 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892504 721417446 /nfs/dbraw/zinc/41/74/46/721417446.db2.gz YPECOUBUILWDML-KOSHJBKYSA-N 1 0 420.561 2.877 20 0 HFADRO CCOc1ccc(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891149 721418262 /nfs/dbraw/zinc/41/82/62/721418262.db2.gz VHVXBLXCTQWIBQ-DYESRHJHSA-N 1 0 408.974 2.899 20 0 HFADRO CCOc1ccc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891153 721418342 /nfs/dbraw/zinc/41/83/42/721418342.db2.gz VHVXBLXCTQWIBQ-UTKZUKDTSA-N 1 0 408.974 2.899 20 0 HFADRO C=Cc1nc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164897734 721430747 /nfs/dbraw/zinc/43/07/47/721430747.db2.gz UPNCNGZYRQYHPK-IERDGZPVSA-N 1 0 421.973 2.547 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(-c5ccccc5)cn4)C3)O2)CC1 ZINC001164896060 721433937 /nfs/dbraw/zinc/43/39/37/721433937.db2.gz QJYVPWMNXUYENC-QPPBQGQZSA-N 1 0 407.562 2.909 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(-c5ccccc5)cn4)C3)O2)CC1 ZINC001164896062 721434245 /nfs/dbraw/zinc/43/42/45/721434245.db2.gz QJYVPWMNXUYENC-URXFXBBRSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)o1 ZINC001164889581 721441411 /nfs/dbraw/zinc/44/14/11/721441411.db2.gz BXAGXWVODVBQMA-CVDCTZTESA-N 1 0 411.550 2.810 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)OC)CC2 ZINC001164785229 721453135 /nfs/dbraw/zinc/45/31/35/721453135.db2.gz HNUVHOIAQVOZFQ-LJQANCHMSA-N 1 0 417.550 2.602 20 0 HFADRO CCOc1nccnc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164788752 721469918 /nfs/dbraw/zinc/46/99/18/721469918.db2.gz JKKOLGIQGLJJOK-LJQANCHMSA-N 1 0 404.555 2.609 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC001164793170 721490339 /nfs/dbraw/zinc/49/03/39/721490339.db2.gz OSUFDQLLECKBNT-UHFFFAOYSA-N 1 0 408.550 2.589 20 0 HFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164795146 721499117 /nfs/dbraw/zinc/49/91/17/721499117.db2.gz FGAGWUZIOSHEGW-UHFFFAOYSA-N 1 0 406.534 2.982 20 0 HFADRO COc1ccc2nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c(C)cc2c1 ZINC001164794947 721508259 /nfs/dbraw/zinc/50/82/59/721508259.db2.gz GKAYDVXGCSVHEL-UHFFFAOYSA-N 1 0 406.534 2.516 20 0 HFADRO Cc1cccc2nc(Cl)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164798235 721516970 /nfs/dbraw/zinc/51/69/70/721516970.db2.gz QBZKBHLTVADZGX-UHFFFAOYSA-N 1 0 411.941 2.556 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4c(Cl)ccc(F)c4n2)CC3)CC1 ZINC001164794356 721522007 /nfs/dbraw/zinc/52/20/07/721522007.db2.gz CAUCDQWYMXHEQB-UHFFFAOYSA-N 1 0 414.916 2.991 20 0 HFADRO COCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164909236 721532475 /nfs/dbraw/zinc/53/24/75/721532475.db2.gz QZJSVSQBJQJFHV-WMZOPIPTSA-N 1 0 404.511 2.826 20 0 HFADRO O=C1NCc2c1c(N1CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)nc(Cl)c2F ZINC001164908109 721539254 /nfs/dbraw/zinc/53/92/54/721539254.db2.gz OSICEIWZUPROKW-GXTWGEPZSA-N 1 0 420.847 2.599 20 0 HFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903417 721540697 /nfs/dbraw/zinc/54/06/97/721540697.db2.gz CLEWJYVAGMOJGQ-AEFFLSMTSA-N 1 0 414.481 2.913 20 0 HFADRO CC1CCN(c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)CC1 ZINC001164802569 721579680 /nfs/dbraw/zinc/57/96/80/721579680.db2.gz GKAPZHDVXMKIKT-ZFGGDYGUSA-N 1 0 422.577 2.976 20 0 HFADRO CCOC(=O)c1nccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908682 721704269 /nfs/dbraw/zinc/70/42/69/721704269.db2.gz YNYSHTOMZBXPPR-HXUWFJFHSA-N 1 0 417.460 2.786 20 0 HFADRO COC(=O)c1ccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ccc2c1 ZINC001165011131 721735988 /nfs/dbraw/zinc/73/59/88/721735988.db2.gz MPFOHXOLSWMDRB-UHFFFAOYSA-N 1 0 410.518 2.544 20 0 HFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026362 721803938 /nfs/dbraw/zinc/80/39/38/721803938.db2.gz QYXKCQAIYIRMOS-QSFXBCCZSA-N 1 0 420.517 2.828 20 0 HFADRO c1cncc(O[C@@H]2CO[C@]3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)c1 ZINC001164916918 721806716 /nfs/dbraw/zinc/80/67/16/721806716.db2.gz SDXZPDJYBZCSHU-NZQKXSOJSA-N 1 0 410.518 2.768 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1Cl ZINC001164926730 721855049 /nfs/dbraw/zinc/85/50/49/721855049.db2.gz JAUPOHYYQMYVBL-UONOGXRCSA-N 1 0 401.338 2.780 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncnc2c1ccn2Cc1cccc(F)c1 ZINC001164927936 721866737 /nfs/dbraw/zinc/86/67/37/721866737.db2.gz XGQQDMDARFNSOH-SFTDATJTSA-N 1 0 408.525 2.833 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc(-c2ccncc2)n1 ZINC001164930906 721877115 /nfs/dbraw/zinc/87/71/15/721877115.db2.gz DHLDOCLSHLOAQA-JKSUJKDBSA-N 1 0 422.911 2.952 20 0 HFADRO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2c1C ZINC001164932334 721878084 /nfs/dbraw/zinc/87/80/84/721878084.db2.gz IUUCDCCRLMGJPZ-CVEARBPZSA-N 1 0 417.579 2.699 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc(C(=O)NC2CCCC2)cc1Cl ZINC001164933487 721881121 /nfs/dbraw/zinc/88/11/21/721881121.db2.gz MKAPJPCZRQOPLJ-OALUTQOASA-N 1 0 405.974 2.622 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(-c2ccccn2)n1 ZINC001164931496 721882205 /nfs/dbraw/zinc/88/22/05/721882205.db2.gz FYQGWNAWPPAECK-CVEARBPZSA-N 1 0 422.911 2.952 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164933298 721883138 /nfs/dbraw/zinc/88/31/38/721883138.db2.gz LOFBZLMMYJUJAT-PMACEKPBSA-N 1 0 409.534 2.520 20 0 HFADRO C[NH+](C)[C@H]1CCCN(c2cc3c(ncnc3Cl)n2S(=O)(=O)c2ccccc2)C1 ZINC001165035891 721894652 /nfs/dbraw/zinc/89/46/52/721894652.db2.gz PPQZYOKABLDREU-AWEZNQCLSA-N 1 0 419.938 2.852 20 0 HFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC001165036825 721916799 /nfs/dbraw/zinc/91/67/99/721916799.db2.gz DFQRHFIRMKCKTR-OAHLLOKOSA-N 1 0 404.898 2.761 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@@]2(C[C@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001164940355 721919779 /nfs/dbraw/zinc/91/97/79/721919779.db2.gz ZMRXVCOMEDRFLY-LAUBAEHRSA-N 1 0 407.942 2.843 20 0 HFADRO COC(=O)Cc1cccc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164939702 721925494 /nfs/dbraw/zinc/92/54/94/721925494.db2.gz LKGYUFZVCIQWSP-UHFFFAOYSA-N 1 0 409.530 2.977 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)CC1 ZINC001165045356 721950168 /nfs/dbraw/zinc/95/01/68/721950168.db2.gz QSHRLBYOPCIQFL-UHFFFAOYSA-N 1 0 410.490 2.939 20 0 HFADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]12 ZINC001164947325 721967039 /nfs/dbraw/zinc/96/70/39/721967039.db2.gz QKODODGLZUVAFT-RCZVLFRGSA-N 1 0 419.573 2.602 20 0 HFADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164945993 721976534 /nfs/dbraw/zinc/97/65/34/721976534.db2.gz IEFZIGDQTOKLMD-UHFFFAOYSA-N 1 0 405.546 2.653 20 0 HFADRO CC[NH+](CC)C1CCN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)CC1 ZINC001165054294 722001316 /nfs/dbraw/zinc/00/13/16/722001316.db2.gz WCVBVFCDICHQOD-UHFFFAOYSA-N 1 0 403.905 2.822 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3COC[C@@H]32)nc1 ZINC001164962556 722037976 /nfs/dbraw/zinc/03/79/76/722037976.db2.gz NWFXSJHORDCFAW-KEZQHZCBSA-N 1 0 423.561 2.601 20 0 HFADRO C[NH+](C)Cc1ccnc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)c1 ZINC001164969495 722082400 /nfs/dbraw/zinc/08/24/00/722082400.db2.gz OQXNGCLIPXDHKA-SFTDATJTSA-N 1 0 412.509 2.536 20 0 HFADRO C[N@H+](Cc1ccc(N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)nc1)C1CC1 ZINC001164976598 722090847 /nfs/dbraw/zinc/09/08/47/722090847.db2.gz SCQUPYYWUHDCEZ-FXAWDEMLSA-N 1 0 412.559 2.675 20 0 HFADRO FC(F)(c1ccnc(Cl)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983376 722098587 /nfs/dbraw/zinc/09/85/87/722098587.db2.gz PQSRZOJAVWISHN-JKSUJKDBSA-N 1 0 409.868 2.797 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(N5CCCCC5)nn4)CC[C@@H]3C2)c1 ZINC001164984057 722099645 /nfs/dbraw/zinc/09/96/45/722099645.db2.gz ROUQWTURJZFLBU-NHCUHLMSSA-N 1 0 408.550 2.589 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983446 722105763 /nfs/dbraw/zinc/10/57/63/722105763.db2.gz QDUDMQVIWJMTKT-TZIWHRDSSA-N 1 0 410.518 2.689 20 0 HFADRO CC1(C)OC(=O)c2c1ccnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981153 722111535 /nfs/dbraw/zinc/11/15/35/722111535.db2.gz TXIJHIOKGMIJKR-MJGOQNOKSA-N 1 0 408.502 2.609 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164975070 722117668 /nfs/dbraw/zinc/11/76/68/722117668.db2.gz JFYQNOILPPWTML-OALUTQOASA-N 1 0 424.549 2.584 20 0 HFADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2ncccc12 ZINC001164971949 722119067 /nfs/dbraw/zinc/11/90/67/722119067.db2.gz DZCHGSGLLWVXML-WMZOPIPTSA-N 1 0 410.909 2.801 20 0 HFADRO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971953 722120513 /nfs/dbraw/zinc/12/05/13/722120513.db2.gz DZMIANSKPSUCMB-MAUKXSAKSA-N 1 0 423.895 2.984 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3C2)c1 ZINC001164978149 722125580 /nfs/dbraw/zinc/12/55/80/722125580.db2.gz NPNZLRSQECQLDM-LEWJYISDSA-N 1 0 402.502 2.661 20 0 HFADRO Fc1ncccc1-c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984236 722131591 /nfs/dbraw/zinc/13/15/91/722131591.db2.gz WPWHUGYTEOYFPR-NQIIRXRSSA-N 1 0 420.492 2.800 20 0 HFADRO CCOCc1cnc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973378 722135507 /nfs/dbraw/zinc/13/55/07/722135507.db2.gz BZEVKRZKEWKBKA-MJGOQNOKSA-N 1 0 417.941 2.789 20 0 HFADRO Nc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164977086 722137292 /nfs/dbraw/zinc/13/72/92/722137292.db2.gz IRGFRKYUHYXBRT-YJBOKZPZSA-N 1 0 423.895 2.984 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCCCC5)ncn4)CC[C@@H]3C2)c1 ZINC001164983856 722139647 /nfs/dbraw/zinc/13/96/47/722139647.db2.gz VWLFFBHOFCWKLX-NHCUHLMSSA-N 1 0 408.550 2.589 20 0 HFADRO c1cc2c(nc(C3CC3)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164973054 722153783 /nfs/dbraw/zinc/15/37/83/722153783.db2.gz KNYRYKHKZFGPDU-ICSRJNTNSA-N 1 0 404.518 2.958 20 0 HFADRO CCOC(=O)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1Cl ZINC001165000076 722250987 /nfs/dbraw/zinc/25/09/87/722250987.db2.gz KUUNFUFKAYUUJT-UHFFFAOYSA-N 1 0 421.929 2.597 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C(=O)OC(C)(C)C)ccn1)CCC2 ZINC001165000594 722251496 /nfs/dbraw/zinc/25/14/96/722251496.db2.gz TUCVIWILQXFSHD-UHFFFAOYSA-N 1 0 415.538 2.722 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c(Cl)cccc31)CCC2 ZINC001165000353 722251560 /nfs/dbraw/zinc/25/15/60/722251560.db2.gz OSESONRTKSMKQT-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO CCOc1ccc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1 ZINC001165002914 722254118 /nfs/dbraw/zinc/25/41/18/722254118.db2.gz XKNURBNWKYLUJQ-UHFFFAOYSA-N 1 0 410.522 2.714 20 0 HFADRO Cc1nc(-c2ccccn2)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C ZINC001165003353 722257466 /nfs/dbraw/zinc/25/74/66/722257466.db2.gz ADUZGRGCIBLDEZ-UHFFFAOYSA-N 1 0 421.549 2.840 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000790496491 1078043721 /nfs/dbraw/zinc/04/37/21/1078043721.db2.gz MFUIKIOTXGCDEP-OAQYLSRUSA-N 1 0 408.502 2.968 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995936 1078044089 /nfs/dbraw/zinc/04/40/89/1078044089.db2.gz CTFKKUPSJNXVBE-QFUCXCTJSA-N 1 0 414.550 2.817 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000790467622 1078045310 /nfs/dbraw/zinc/04/53/10/1078045310.db2.gz IGIVVYDLDSWMBO-JOCHJYFZSA-N 1 0 419.591 2.585 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1Br ZINC000793012527 1078048272 /nfs/dbraw/zinc/04/82/72/1078048272.db2.gz YLAWLCMFEJNEBT-ZFWWWQNUSA-N 1 0 421.339 2.566 20 0 HFADRO O=S(=O)(N1CCC([NH2+]Cc2c(F)cccc2Br)CC1)C(F)(F)F ZINC000793016297 1078050178 /nfs/dbraw/zinc/05/01/78/1078050178.db2.gz JUCJJLIMPJRWQB-UHFFFAOYSA-N 1 0 419.238 2.992 20 0 HFADRO Clc1c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cnn1Cc1ccccc1 ZINC000790530617 1078051994 /nfs/dbraw/zinc/05/19/94/1078051994.db2.gz KBXMETPPFIWKPB-FQEVSTJZSA-N 1 0 406.983 2.882 20 0 HFADRO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1coc(S(N)(=O)=O)c1)CC1CCCC1 ZINC001170139561 1078052188 /nfs/dbraw/zinc/05/21/88/1078052188.db2.gz JSERQIWMQDJTHQ-UHFFFAOYSA-N 1 0 415.556 2.834 20 0 HFADRO Cc1ccn(-c2ccc(NC(=O)C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)cc2)n1 ZINC000793036024 1078053194 /nfs/dbraw/zinc/05/31/94/1078053194.db2.gz JLOUKGHGXJHJFQ-UHFFFAOYSA-N 1 0 405.502 2.839 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)Nc1cccc(Cl)n1 ZINC000793049730 1078056381 /nfs/dbraw/zinc/05/63/81/1078056381.db2.gz RSSTXZRHQPUECL-HUUCEWRRSA-N 1 0 400.910 2.946 20 0 HFADRO C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cn1 ZINC000793020910 1078058262 /nfs/dbraw/zinc/05/82/62/1078058262.db2.gz FAGQGLVEYMEWTJ-CZUORRHYSA-N 1 0 411.344 2.848 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)CCC1 ZINC000793066095 1078060995 /nfs/dbraw/zinc/06/09/95/1078060995.db2.gz KQEBSWAQXKIADU-IBGZPJMESA-N 1 0 402.539 2.819 20 0 HFADRO COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000790584514 1078062043 /nfs/dbraw/zinc/06/20/43/1078062043.db2.gz SLIQIWVRWKTBNA-MOPGFXCFSA-N 1 0 405.539 2.555 20 0 HFADRO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cc(-c4cccnc4)n[nH]3)cc2)C1=O ZINC000790607522 1078074361 /nfs/dbraw/zinc/07/43/61/1078074361.db2.gz DWERKFMGINVBKA-HSZRJFAPSA-N 1 0 416.485 2.986 20 0 HFADRO Cc1nn2c(C[NH2+]Cc3ccc(N4C(=O)N[C@@](C)(C5CC5)C4=O)cc3)c(C)nc2s1 ZINC000790611904 1078075541 /nfs/dbraw/zinc/07/55/41/1078075541.db2.gz YIKAHRLXDXVCAU-NRFANRHFSA-N 1 0 424.530 2.922 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCC(CC(F)(F)F)CC2)CC1 ZINC000793102858 1078077567 /nfs/dbraw/zinc/07/75/67/1078077567.db2.gz VUBQGCMSQXNFNM-UHFFFAOYSA-N 1 0 412.456 2.568 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(SC(F)F)nc2)cc1 ZINC000793107917 1078081034 /nfs/dbraw/zinc/08/10/34/1078081034.db2.gz DCCPKRUZZWFRCM-HNNXBMFYSA-N 1 0 424.473 2.763 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCCc1cn2c(n1)CCCC2)C(=O)OC(C)(C)C ZINC000790668514 1078085194 /nfs/dbraw/zinc/08/51/94/1078085194.db2.gz WRSRPRHJGQHQMJ-RDJZCZTQSA-N 1 0 423.533 2.751 20 0 HFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790641708 1078090219 /nfs/dbraw/zinc/09/02/19/1078090219.db2.gz ADNOHFSTNGYDPP-HKUYNNGSSA-N 1 0 418.419 2.984 20 0 HFADRO COCC1(C[NH2+]Cc2cnc(N3CCCC3)nc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790652203 1078094100 /nfs/dbraw/zinc/09/41/00/1078094100.db2.gz IADBUGJEHDFPMJ-UHFFFAOYSA-N 1 0 419.570 2.830 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3CC(c4cccnc4)=NO3)cc2)CC1 ZINC000790661481 1078096226 /nfs/dbraw/zinc/09/62/26/1078096226.db2.gz KFQWOYGUUQRHHP-QFIPXVFZSA-N 1 0 407.518 2.991 20 0 HFADRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000793247077 1078109931 /nfs/dbraw/zinc/10/99/31/1078109931.db2.gz MGYDFNPKOBCXJH-OAQYLSRUSA-N 1 0 411.550 2.711 20 0 HFADRO C[NH+]1CCC(NC(=O)N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)CC1 ZINC000790761398 1078112962 /nfs/dbraw/zinc/11/29/62/1078112962.db2.gz LHEAEAREZGIXJI-UHFFFAOYSA-N 1 0 404.555 2.860 20 0 HFADRO CC(C)COC(=O)N1CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000793265070 1078113662 /nfs/dbraw/zinc/11/36/62/1078113662.db2.gz FFMFTVNARDXKFF-INIZCTEOSA-N 1 0 412.328 2.822 20 0 HFADRO O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000793267793 1078113953 /nfs/dbraw/zinc/11/39/53/1078113953.db2.gz WHOAWYPLIXGGIW-DQPZFDDXSA-N 1 0 401.429 2.935 20 0 HFADRO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)C2=O)cc1 ZINC000790748244 1078124365 /nfs/dbraw/zinc/12/43/65/1078124365.db2.gz MEAFEYXKRJDLKH-OYDLWJJNSA-N 1 0 407.558 2.975 20 0 HFADRO C[C@@]1([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793345138 1078132660 /nfs/dbraw/zinc/13/26/60/1078132660.db2.gz YBVNEDLUCJLGBG-OAQYLSRUSA-N 1 0 417.531 2.949 20 0 HFADRO CCOC(=O)c1cn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1C(F)(F)F ZINC000772831231 1078137766 /nfs/dbraw/zinc/13/77/66/1078137766.db2.gz ZPWDVMVTRTZBLZ-CJNGLKHVSA-N 1 0 400.445 2.985 20 0 HFADRO CSC1(CNC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC[NH+](C)CC1 ZINC000793358848 1078146583 /nfs/dbraw/zinc/14/65/83/1078146583.db2.gz RGHISSPIOPCBHV-XDJHFCHBSA-N 1 0 413.543 2.994 20 0 HFADRO C[C@H](CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)NC(=O)OC(C)(C)C ZINC000790847175 1078146805 /nfs/dbraw/zinc/14/68/05/1078146805.db2.gz JZRNMXKFUNGLGL-MRXNPFEDSA-N 1 0 420.554 2.872 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCC1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000790847765 1078147416 /nfs/dbraw/zinc/14/74/16/1078147416.db2.gz OXGFSVJYFDSTQB-WMZOPIPTSA-N 1 0 412.550 2.850 20 0 HFADRO COc1cnc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)nc1NC1CC1 ZINC001170145411 1078173834 /nfs/dbraw/zinc/17/38/34/1078173834.db2.gz BADOJTNIQXKXKE-UHFFFAOYSA-N 1 0 418.505 2.969 20 0 HFADRO COCC1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793460378 1078179167 /nfs/dbraw/zinc/17/91/67/1078179167.db2.gz BWZLEKJHFIGAJT-GOSISDBHSA-N 1 0 409.571 2.737 20 0 HFADRO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793481084 1078188336 /nfs/dbraw/zinc/18/83/36/1078188336.db2.gz CQDUWDZOWQLVPQ-FMIVXFBMSA-N 1 0 403.523 2.718 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000793481313 1078188664 /nfs/dbraw/zinc/18/86/64/1078188664.db2.gz ZQXBZIRRXYRCGR-KRWDZBQOSA-N 1 0 409.571 2.783 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000793459722 1078193340 /nfs/dbraw/zinc/19/33/40/1078193340.db2.gz QTFOVYOKSYXTJB-PWRODBHTSA-N 1 0 422.529 2.665 20 0 HFADRO CC[NH+](CC)CCCCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793493119 1078200965 /nfs/dbraw/zinc/20/09/65/1078200965.db2.gz KOFZOBZUYITDJE-WOJBJXKFSA-N 1 0 412.534 2.817 20 0 HFADRO Cc1cc([C@@H](C)[NH2+]C[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)n(C)n1 ZINC000793566942 1078211639 /nfs/dbraw/zinc/21/16/39/1078211639.db2.gz NUEWBZMKGSKLDG-ZBFHGGJFSA-N 1 0 419.492 2.863 20 0 HFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793581635 1078214441 /nfs/dbraw/zinc/21/44/41/1078214441.db2.gz OKHNUFZOEPBMOI-GOSISDBHSA-N 1 0 411.587 2.840 20 0 HFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(COC)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793587143 1078215724 /nfs/dbraw/zinc/21/57/24/1078215724.db2.gz WOQQTZNPLPKKQA-SFHVURJKSA-N 1 0 411.587 2.840 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000793622584 1078230557 /nfs/dbraw/zinc/23/05/57/1078230557.db2.gz VZMWKYQHMXYONF-KDURUIRLSA-N 1 0 419.485 2.708 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000793645320 1078239725 /nfs/dbraw/zinc/23/97/25/1078239725.db2.gz AQXKBDJLIGPGGY-MDMXATFFSA-N 1 0 401.551 2.515 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000793651142 1078241732 /nfs/dbraw/zinc/24/17/32/1078241732.db2.gz KYUBYIQGTHYCIU-ROUUACIJSA-N 1 0 409.571 2.735 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000793681944 1078252863 /nfs/dbraw/zinc/25/28/63/1078252863.db2.gz NWOXPSNSHPGKRX-PMACEKPBSA-N 1 0 409.530 2.693 20 0 HFADRO CCN(C(=O)C(=O)N[C@@H](C)COc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793684928 1078255385 /nfs/dbraw/zinc/25/53/85/1078255385.db2.gz FPOPVRLBPLNPGJ-FPOVZHCZSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCN1C(=O)OC(C)(C)C ZINC000793686194 1078255735 /nfs/dbraw/zinc/25/57/35/1078255735.db2.gz ICXRRKWPMHSDMO-RAUXBKROSA-N 1 0 423.598 2.906 20 0 HFADRO CN(CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(=O)OCc1ccccc1 ZINC000793686581 1078256611 /nfs/dbraw/zinc/25/66/11/1078256611.db2.gz LWQIZCJJFZZKCV-SFTDATJTSA-N 1 0 417.550 2.529 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000793657248 1078259300 /nfs/dbraw/zinc/25/93/00/1078259300.db2.gz NJGIJLQLRAJWEI-FQEVSTJZSA-N 1 0 423.557 2.523 20 0 HFADRO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793710797 1078260634 /nfs/dbraw/zinc/26/06/34/1078260634.db2.gz UMFZLRUXWIGZEH-XLIONFOSSA-N 1 0 411.550 2.710 20 0 HFADRO COC(=O)[C@@H]1CC(=O)N(CN2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)C1 ZINC000793726646 1078268290 /nfs/dbraw/zinc/26/82/90/1078268290.db2.gz YFPRVGXKRIKAIW-YADHBBJMSA-N 1 0 415.578 2.631 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCCCNC(=O)OCc1ccccc1 ZINC000747144495 1078263486 /nfs/dbraw/zinc/26/34/86/1078263486.db2.gz DQSRISXQCSTZMC-QHAWAJNXSA-N 1 0 417.550 2.793 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)CCC2 ZINC000793718758 1078264622 /nfs/dbraw/zinc/26/46/22/1078264622.db2.gz KFTLTUKHZRCSPE-ROUUACIJSA-N 1 0 400.548 2.673 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)N(C)Cc2ccn(-c3ccccc3)n2)[NH+](C)C)cc1 ZINC000793721941 1078265800 /nfs/dbraw/zinc/26/58/00/1078265800.db2.gz SVVADJUYJOULGM-JOCHJYFZSA-N 1 0 419.529 2.558 20 0 HFADRO COCC1(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793728216 1078268531 /nfs/dbraw/zinc/26/85/31/1078268531.db2.gz DNIPCHOUCSUTSG-LJQANCHMSA-N 1 0 423.598 2.840 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC001170436552 1078267848 /nfs/dbraw/zinc/26/78/48/1078267848.db2.gz IYAXIDVDPUCTSQ-QEUVDIPISA-N 1 0 416.518 2.770 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793692776 1078270040 /nfs/dbraw/zinc/27/00/40/1078270040.db2.gz DTKSTBUAOKSVMI-SBHAEUEKSA-N 1 0 409.530 2.597 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000793692495 1078270071 /nfs/dbraw/zinc/27/00/71/1078270071.db2.gz ZNTBAFYKAGJGDF-UWVAXJGDSA-N 1 0 415.559 2.831 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000793702727 1078275349 /nfs/dbraw/zinc/27/53/49/1078275349.db2.gz PXDZNOKHUDLWQS-BEFAXECRSA-N 1 0 403.910 2.643 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCc1ccc(Br)cc1Cl)[NH+]1CCCCC1 ZINC000793708295 1078277269 /nfs/dbraw/zinc/27/72/69/1078277269.db2.gz MSAVBOYAGVONRP-LBPRGKRZSA-N 1 0 416.747 2.709 20 0 HFADRO C[N@@H+]1CCCC12CCN(C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)CC2 ZINC000793763830 1078281719 /nfs/dbraw/zinc/28/17/19/1078281719.db2.gz SNBSDYLPKRVKQF-UHFFFAOYSA-N 1 0 408.568 2.911 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793767237 1078282819 /nfs/dbraw/zinc/28/28/19/1078282819.db2.gz FHTMOGRGFMZNBC-IRLDBZIGSA-N 1 0 423.557 2.859 20 0 HFADRO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000747146282 1078285386 /nfs/dbraw/zinc/28/53/86/1078285386.db2.gz NOLJAGMOBIAGLM-BTHPGYMESA-N 1 0 419.591 2.765 20 0 HFADRO CC(C)C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000772837020 1078289687 /nfs/dbraw/zinc/28/96/87/1078289687.db2.gz JXSVVMADTANJPN-IRXDYDNUSA-N 1 0 418.365 2.626 20 0 HFADRO C[NH+]1CCC(CCO)(NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793783398 1078293341 /nfs/dbraw/zinc/29/33/41/1078293341.db2.gz MRNBDWQJKACEJC-UHFFFAOYSA-N 1 0 417.550 2.951 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000747148967 1078293833 /nfs/dbraw/zinc/29/38/33/1078293833.db2.gz DNFQZHZLTCAJCB-NJDAHSKKSA-N 1 0 415.578 2.814 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000793807611 1078306219 /nfs/dbraw/zinc/30/62/19/1078306219.db2.gz IKAYCRRJTVYWEA-FQEVSTJZSA-N 1 0 418.501 2.731 20 0 HFADRO C[C@H](CCNC(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000793805575 1078304402 /nfs/dbraw/zinc/30/44/02/1078304402.db2.gz RQIFLGHSCHOFFF-QMMLZNLJSA-N 1 0 424.545 2.959 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000793806702 1078305966 /nfs/dbraw/zinc/30/59/66/1078305966.db2.gz VCTUJNBRYCDMTI-ZBFHGGJFSA-N 1 0 423.439 2.677 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCCc2ccc(F)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000793821700 1078317654 /nfs/dbraw/zinc/31/76/54/1078317654.db2.gz FZOFFUOBRVYUNI-QHCPKHFHSA-N 1 0 415.484 2.652 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3COCCN3C3CCCC3)cc2)CC1 ZINC000793771834 1078307475 /nfs/dbraw/zinc/30/74/75/1078307475.db2.gz IUUCYTCKEKUIKK-JOCHJYFZSA-N 1 0 400.567 2.799 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000793778693 1078309492 /nfs/dbraw/zinc/30/94/92/1078309492.db2.gz JNUOKNIUEMDIHI-IFMALSPDSA-N 1 0 423.557 2.559 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000793780911 1078310267 /nfs/dbraw/zinc/31/02/67/1078310267.db2.gz PCFHMALELYYTHV-QTEQDKRBSA-N 1 0 423.557 2.905 20 0 HFADRO CN(CCc1ccccc1F)C(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793845388 1078313005 /nfs/dbraw/zinc/31/30/05/1078313005.db2.gz ZRIBTYGSADWMEM-FQEVSTJZSA-N 1 0 411.521 2.855 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000793846895 1078313682 /nfs/dbraw/zinc/31/36/82/1078313682.db2.gz QZSUCEIPLYMCRQ-KRWDZBQOSA-N 1 0 407.580 2.585 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)([NH+](C)C)C1 ZINC000793812197 1078314804 /nfs/dbraw/zinc/31/48/04/1078314804.db2.gz KQTXSXXGFUNUHA-QLDGJZPUSA-N 1 0 421.607 2.789 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000793816755 1078316361 /nfs/dbraw/zinc/31/63/61/1078316361.db2.gz YPQZDIMQMWWVOL-OKILXGFUSA-N 1 0 418.579 2.984 20 0 HFADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000793877669 1078321878 /nfs/dbraw/zinc/32/18/78/1078321878.db2.gz ZMGQCDGJGOACEP-OAQYLSRUSA-N 1 0 414.594 2.622 20 0 HFADRO CC[N@H+](CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C1CC1 ZINC000793878904 1078322074 /nfs/dbraw/zinc/32/20/74/1078322074.db2.gz RRVJJYDKKCIZBF-UHFFFAOYSA-N 1 0 414.594 2.670 20 0 HFADRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000793855098 1078324546 /nfs/dbraw/zinc/32/45/46/1078324546.db2.gz XRZJVGCBIDMMBH-PKOBYXMFSA-N 1 0 415.559 2.641 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@H](C)C1 ZINC000793872288 1078329677 /nfs/dbraw/zinc/32/96/77/1078329677.db2.gz KIBNFIYQXVOEAM-BJLQDIEVSA-N 1 0 419.566 2.946 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)c1 ZINC000793868281 1078328232 /nfs/dbraw/zinc/32/82/32/1078328232.db2.gz MPKLZJHDZIHABY-HXUWFJFHSA-N 1 0 411.550 2.726 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793873906 1078330720 /nfs/dbraw/zinc/33/07/20/1078330720.db2.gz DJEQQBLRRGXYCR-BZSNNMDCSA-N 1 0 411.587 2.573 20 0 HFADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793876621 1078331523 /nfs/dbraw/zinc/33/15/23/1078331523.db2.gz SRAKDWRUMKQUDW-GOSISDBHSA-N 1 0 416.610 2.916 20 0 HFADRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793900749 1078333036 /nfs/dbraw/zinc/33/30/36/1078333036.db2.gz AOBBYUAAIWUOQS-OALUTQOASA-N 1 0 410.518 2.521 20 0 HFADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793905013 1078334117 /nfs/dbraw/zinc/33/41/17/1078334117.db2.gz ZCQXTOYEDCTNGF-LVCYWYKZSA-N 1 0 401.551 2.507 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000793913729 1078336881 /nfs/dbraw/zinc/33/68/81/1078336881.db2.gz IWWNZYHQWGDPNN-ZIFCJYIRSA-N 1 0 417.598 2.830 20 0 HFADRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000793899632 1078343699 /nfs/dbraw/zinc/34/36/99/1078343699.db2.gz BGYCTIQLMWZGDP-WFXMLNOXSA-N 1 0 421.557 2.580 20 0 HFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793969528 1078349269 /nfs/dbraw/zinc/34/92/69/1078349269.db2.gz ZGMOYCVUXBGMIN-AQNXPRMDSA-N 1 0 410.518 2.521 20 0 HFADRO CC1(C)CCC[N@H+](CCNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793973840 1078350404 /nfs/dbraw/zinc/35/04/04/1078350404.db2.gz XQGZLXHXWBEBTE-WOJBJXKFSA-N 1 0 424.545 2.817 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793944295 1078353841 /nfs/dbraw/zinc/35/38/41/1078353841.db2.gz WMDLENGOZRAZRB-WOJBJXKFSA-N 1 0 412.534 2.769 20 0 HFADRO C[N@H+](CC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[C@H]1CCSC1 ZINC000794047641 1078365498 /nfs/dbraw/zinc/36/54/98/1078365498.db2.gz KSCCIMUAQBYYSA-MOPGFXCFSA-N 1 0 405.564 2.589 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CN(CC)C(=O)[C@@H]2COC)CC1 ZINC001170443332 1078376575 /nfs/dbraw/zinc/37/65/75/1078376575.db2.gz NQTLSXPZWLGVNU-OALUTQOASA-N 1 0 402.535 2.943 20 0 HFADRO CC1=C(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[C@H](C)n2ncnc2N1C ZINC000794146836 1078377864 /nfs/dbraw/zinc/37/78/64/1078377864.db2.gz HLAGMWIAIBRKLM-ICSRJNTNSA-N 1 0 408.550 2.981 20 0 HFADRO O=C(CN1c2ccccc2OC(F)(F)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000794198112 1078384008 /nfs/dbraw/zinc/38/40/08/1078384008.db2.gz BKYMZCITBOUHDU-UHFFFAOYSA-N 1 0 415.440 2.786 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000794203787 1078384301 /nfs/dbraw/zinc/38/43/01/1078384301.db2.gz SLJAQURBLWYHJV-UHFFFAOYSA-N 1 0 418.497 2.838 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000794210401 1078393860 /nfs/dbraw/zinc/39/38/60/1078393860.db2.gz RQYWOLVQXOAZIF-AJTFCVKESA-N 1 0 403.498 2.870 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC3CC([NH+]4CCCCC4)C3)[nH]n2)C1 ZINC000794210619 1078393894 /nfs/dbraw/zinc/39/38/94/1078393894.db2.gz UEQHACXYDPFGDQ-GTPINHCMSA-N 1 0 417.554 2.881 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)CC(C)C)C1 ZINC001170444963 1078398054 /nfs/dbraw/zinc/39/80/54/1078398054.db2.gz UVUUMQYZZPJLIB-PWHSHALESA-N 1 0 402.535 2.847 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000794337889 1078418838 /nfs/dbraw/zinc/41/88/38/1078418838.db2.gz CGSOPYPWKCVDQU-MRXNPFEDSA-N 1 0 404.511 2.528 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)[C@@H](c1cnn(C)c1)CC(=O)N2C ZINC001170445683 1078416948 /nfs/dbraw/zinc/41/69/48/1078416948.db2.gz XCCDAQWRQUEFJK-VQTJNVASSA-N 1 0 424.545 2.950 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)CC1 ZINC000794339548 1078419469 /nfs/dbraw/zinc/41/94/69/1078419469.db2.gz OVVLDTSKSPMNLY-UHFFFAOYSA-N 1 0 421.501 2.539 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000794340600 1078419762 /nfs/dbraw/zinc/41/97/62/1078419762.db2.gz YLEUKNBWJTXJIQ-UHFFFAOYSA-N 1 0 414.469 2.787 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000794341885 1078420141 /nfs/dbraw/zinc/42/01/41/1078420141.db2.gz APCJIANIDDASFK-WMZOPIPTSA-N 1 0 418.538 2.774 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3CC3(Cl)Cl)cc2)CC1 ZINC000794403257 1078436401 /nfs/dbraw/zinc/43/64/01/1078436401.db2.gz GNDSJXXQQJJTFN-HNNXBMFYSA-N 1 0 400.306 2.504 20 0 HFADRO CC[N@@H+]1CCN(C(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)[C@@H](C)C1 ZINC000804379802 1078455562 /nfs/dbraw/zinc/45/55/62/1078455562.db2.gz BICOKSOQHNPPDF-UYPHOHSBSA-N 1 0 408.531 2.952 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000747204150 1078473903 /nfs/dbraw/zinc/47/39/03/1078473903.db2.gz LUIAACRAQJZMMM-QZTJIDSGSA-N 1 0 415.563 2.766 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420301 1078469337 /nfs/dbraw/zinc/46/93/37/1078469337.db2.gz GSBDNXGQVNXNSK-DZGCQCFKSA-N 1 0 401.429 2.753 20 0 HFADRO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000804429008 1078474466 /nfs/dbraw/zinc/47/44/66/1078474466.db2.gz ATXCNDLAOZDHOA-WMLDXEAASA-N 1 0 423.989 2.763 20 0 HFADRO C[NH+]1C(C)(C)CC(Nc2ncc(C(=O)N3CCC[C@H]3C(N)=O)cc2Cl)CC1(C)C ZINC001170450365 1078474539 /nfs/dbraw/zinc/47/45/39/1078474539.db2.gz IHZFQCIDBZKHDC-INIZCTEOSA-N 1 0 421.973 2.888 20 0 HFADRO CN(c1nc(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)cs1)c1ccccc1 ZINC001129459040 1078485220 /nfs/dbraw/zinc/48/52/20/1078485220.db2.gz ZIOYHLXCMFNYCY-UHFFFAOYSA-N 1 0 415.563 2.633 20 0 HFADRO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC001170451469 1078493804 /nfs/dbraw/zinc/49/38/04/1078493804.db2.gz KHIHXSJFZMHXJD-UHFFFAOYSA-N 1 0 400.519 2.964 20 0 HFADRO COCCCOCC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129497957 1078487658 /nfs/dbraw/zinc/48/76/58/1078487658.db2.gz XNRQQWQCOCKNQK-UHFFFAOYSA-N 1 0 409.958 2.506 20 0 HFADRO C[C@H](C(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1)n1cccn1 ZINC001129497769 1078487690 /nfs/dbraw/zinc/48/76/90/1078487690.db2.gz TUUCLBHRMMELOH-QGZVFWFLSA-N 1 0 401.942 2.911 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000804657775 1078492271 /nfs/dbraw/zinc/49/22/71/1078492271.db2.gz LEJPDQPQXOWPEI-NRFANRHFSA-N 1 0 417.550 2.584 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)cc2)CC1 ZINC000804660190 1078497939 /nfs/dbraw/zinc/49/79/39/1078497939.db2.gz FYAAHTPPKJEADF-FQEVSTJZSA-N 1 0 402.539 2.521 20 0 HFADRO CN1CC(=O)Nc2cc(C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cnc21 ZINC001129486843 1078507366 /nfs/dbraw/zinc/50/73/66/1078507366.db2.gz PRSOTCXNYWOHPR-SFHVURJKSA-N 1 0 407.518 2.502 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000804441473 1078507455 /nfs/dbraw/zinc/50/74/55/1078507455.db2.gz CYXDYLMBLMRQCP-UHFFFAOYSA-N 1 0 413.559 2.851 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC001129812698 1078510531 /nfs/dbraw/zinc/51/05/31/1078510531.db2.gz DGIKXOVJDMVDCR-NFBKMPQASA-N 1 0 412.530 2.900 20 0 HFADRO Cc1nc(C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c2ccccn12 ZINC000804446791 1078513238 /nfs/dbraw/zinc/51/32/38/1078513238.db2.gz NUINJLFCUYBYBS-OAQYLSRUSA-N 1 0 403.530 2.675 20 0 HFADRO Cc1c(C(=O)N[C@@H](C)[C@H](O)c2ccc(C)cc2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000804475783 1078518957 /nfs/dbraw/zinc/51/89/57/1078518957.db2.gz HUPCYIOJUIAXOY-HJPURHCSSA-N 1 0 419.529 2.724 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000804694547 1078533522 /nfs/dbraw/zinc/53/35/22/1078533522.db2.gz SEMSZYPNAHPYAM-UHFFFAOYSA-N 1 0 413.537 2.852 20 0 HFADRO C[C@H](C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC001129847938 1078531105 /nfs/dbraw/zinc/53/11/05/1078531105.db2.gz MCLYURIYLGLPPN-INIZCTEOSA-N 1 0 413.484 2.722 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804509703 1078544951 /nfs/dbraw/zinc/54/49/51/1078544951.db2.gz BZWJRWFQOPRJAV-ZCYQVOJMSA-N 1 0 408.542 2.904 20 0 HFADRO COCC1(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804525455 1078563461 /nfs/dbraw/zinc/56/34/61/1078563461.db2.gz CIMHOTHVAVGGLT-QZTJIDSGSA-N 1 0 409.571 2.735 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000804523401 1078563049 /nfs/dbraw/zinc/56/30/49/1078563049.db2.gz RPVJANGRAKTUCN-VQIMIIECSA-N 1 0 418.497 2.790 20 0 HFADRO COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC001129572079 1078564694 /nfs/dbraw/zinc/56/46/94/1078564694.db2.gz JCUNLNQBVWDDRQ-OAQYLSRUSA-N 1 0 419.566 2.897 20 0 HFADRO CCC(=O)c1ccc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(S(N)(=O)=O)c1 ZINC000804527987 1078566491 /nfs/dbraw/zinc/56/64/91/1078566491.db2.gz WIMOTESAUOFOIY-SFHVURJKSA-N 1 0 415.559 2.885 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3ccn(C4CCCC4)n3)cc2)CC1 ZINC001129871607 1078568301 /nfs/dbraw/zinc/56/83/01/1078568301.db2.gz GTWYWFWGASATDJ-UHFFFAOYSA-N 1 0 409.534 2.626 20 0 HFADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001129599174 1078573341 /nfs/dbraw/zinc/57/33/41/1078573341.db2.gz LVDBGBHKHXOSSN-KSZLIROESA-N 1 0 411.468 2.720 20 0 HFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129904182 1078576498 /nfs/dbraw/zinc/57/64/98/1078576498.db2.gz FIAQMARHYYDUCP-FQEVSTJZSA-N 1 0 418.582 2.566 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3cn4ccc(C)cc4n3)cc2)CC1 ZINC000804538077 1078584966 /nfs/dbraw/zinc/58/49/66/1078584966.db2.gz KAUUOIFVGPYHMX-UHFFFAOYSA-N 1 0 421.501 2.580 20 0 HFADRO CC[C@H]1CC([NH2+]CCNC(=O)N2CCOCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170465578 1078596399 /nfs/dbraw/zinc/59/63/99/1078596399.db2.gz PXTIWFJVVHPZFN-ROUUACIJSA-N 1 0 412.575 2.575 20 0 HFADRO CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564442 1078598368 /nfs/dbraw/zinc/59/83/68/1078598368.db2.gz UEHDPUSDNCLPGO-QXULXFAOSA-N 1 0 401.498 2.962 20 0 HFADRO COc1ccc([C@@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)NC(C)=O)cc1 ZINC001129933596 1078598524 /nfs/dbraw/zinc/59/85/24/1078598524.db2.gz XAGKJUWWKICLHC-JRFVFWCSSA-N 1 0 421.541 2.995 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000804567100 1078602369 /nfs/dbraw/zinc/60/23/69/1078602369.db2.gz KSPZPGKNIYLGLY-XDHOZWIPSA-N 1 0 407.580 2.691 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000804778713 1078603541 /nfs/dbraw/zinc/60/35/41/1078603541.db2.gz BOUKHSFXFGCVBO-INIZCTEOSA-N 1 0 415.987 2.975 20 0 HFADRO CC(C)[C@@H](C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+]1CCCCC1 ZINC000804761328 1078611034 /nfs/dbraw/zinc/61/10/34/1078611034.db2.gz BWFAQYASGMZZSE-UXHICEINSA-N 1 0 422.614 2.651 20 0 HFADRO CCC1([NH+]2CCCC2)CCN(C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC001170467710 1078634867 /nfs/dbraw/zinc/63/48/67/1078634867.db2.gz LGDLCNIEDXIXMU-UHFFFAOYSA-N 1 0 421.607 2.839 20 0 HFADRO C[NH+](C)CCN(Cc1ccsc1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001129701058 1078659651 /nfs/dbraw/zinc/65/96/51/1078659651.db2.gz OUDQSVXYPOIIAJ-UHFFFAOYSA-N 1 0 416.522 2.956 20 0 HFADRO CC(C)(C[NH+]1CCCC1)NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC001129967083 1078660744 /nfs/dbraw/zinc/66/07/44/1078660744.db2.gz IAKYTTGJIAEKPP-UHFFFAOYSA-N 1 0 421.339 2.540 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(=O)n(C)c2ccccc12 ZINC001129971185 1078665247 /nfs/dbraw/zinc/66/52/47/1078665247.db2.gz XHDBPVPILVRKTI-AUSIDOKSSA-N 1 0 419.525 2.805 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804828817 1078667752 /nfs/dbraw/zinc/66/77/52/1078667752.db2.gz AXDOWWALBGSGOO-QFIPXVFZSA-N 1 0 422.573 2.882 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804831014 1078672360 /nfs/dbraw/zinc/67/23/60/1078672360.db2.gz CKLWIXHSQNCFDW-UGKGYDQZSA-N 1 0 422.573 2.786 20 0 HFADRO CCN(c1ccnc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n1)C1CCCC1 ZINC001129736240 1078682766 /nfs/dbraw/zinc/68/27/66/1078682766.db2.gz YJYSUZSGIONOIO-RTBURBONSA-N 1 0 411.554 2.653 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000804864347 1078690142 /nfs/dbraw/zinc/69/01/42/1078690142.db2.gz KLJPSWQSMXHOSR-UHFFFAOYSA-N 1 0 416.591 2.690 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643013 1078696017 /nfs/dbraw/zinc/69/60/17/1078696017.db2.gz CEVSZZWYQVDYDC-VQIMIIECSA-N 1 0 414.937 2.863 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000804643902 1078698190 /nfs/dbraw/zinc/69/81/90/1078698190.db2.gz SPRNFSJDDCTOJL-APWZRJJASA-N 1 0 414.937 2.563 20 0 HFADRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCc3c(F)cccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000804644048 1078698368 /nfs/dbraw/zinc/69/83/68/1078698368.db2.gz AGCJTHDABCDXDQ-PXNSSMCTSA-N 1 0 409.505 2.880 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)o1 ZINC000804633027 1078712675 /nfs/dbraw/zinc/71/26/75/1078712675.db2.gz IYDCHTJDODEEEJ-IRXDYDNUSA-N 1 0 407.511 2.631 20 0 HFADRO CC[C@@H]1C[C@H](CC(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CCO1 ZINC001129742867 1078715733 /nfs/dbraw/zinc/71/57/33/1078715733.db2.gz VXBLXBOTZASVGB-TZIWHRDSSA-N 1 0 401.551 2.595 20 0 HFADRO CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CN1CCSC1=O ZINC001129976406 1078720366 /nfs/dbraw/zinc/72/03/66/1078720366.db2.gz XYWJYRCWVITOQK-UHFFFAOYSA-N 1 0 415.357 2.554 20 0 HFADRO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000804900964 1078757104 /nfs/dbraw/zinc/75/71/04/1078757104.db2.gz AXGYCGYNZCQLQX-JKIFEVAISA-N 1 0 403.445 2.537 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000804945593 1078773124 /nfs/dbraw/zinc/77/31/24/1078773124.db2.gz JTYJNRSVHISDTF-UHFFFAOYSA-N 1 0 402.539 2.737 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000804928429 1078785005 /nfs/dbraw/zinc/78/50/05/1078785005.db2.gz OLUORXZNJSLEQA-OAQYLSRUSA-N 1 0 416.566 2.563 20 0 HFADRO CCN1CC[NH+](CCCCNC(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 ZINC000804955361 1078797100 /nfs/dbraw/zinc/79/71/00/1078797100.db2.gz MSNGQUDLVWJDDV-QHCPKHFHSA-N 1 0 416.610 2.868 20 0 HFADRO Cc1nc(S(=O)(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(Br)n1C ZINC000804965534 1078802316 /nfs/dbraw/zinc/80/23/16/1078802316.db2.gz OMRILADCNOGPGW-RYUDHWBXSA-N 1 0 421.405 2.526 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000804976618 1078811837 /nfs/dbraw/zinc/81/18/37/1078811837.db2.gz HTTQBLKDZAZAGE-QOKNQOGYSA-N 1 0 413.440 2.959 20 0 HFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)OC[C@H]2CCCO2)CC1 ZINC000805015892 1078826135 /nfs/dbraw/zinc/82/61/35/1078826135.db2.gz CYASUEHCGMYKNS-MRXNPFEDSA-N 1 0 401.429 2.862 20 0 HFADRO CC(C)N(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130057622 1078880876 /nfs/dbraw/zinc/88/08/76/1078880876.db2.gz JDOBFPHGNOLHMD-ZWKOTPCHSA-N 1 0 411.468 2.909 20 0 HFADRO CC(C)N(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130057619 1078880976 /nfs/dbraw/zinc/88/09/76/1078880976.db2.gz JDOBFPHGNOLHMD-MSOLQXFVSA-N 1 0 411.468 2.909 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805110636 1078895564 /nfs/dbraw/zinc/89/55/64/1078895564.db2.gz BYSQDXSWRGLIHL-JONQDZQNSA-N 1 0 406.493 2.738 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3cnc(Cl)c(F)c3)cc2)CC1 ZINC000805094540 1078920559 /nfs/dbraw/zinc/92/05/59/1078920559.db2.gz QQCVBALFCRQEOR-UHFFFAOYSA-N 1 0 413.902 2.826 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000805135297 1078932716 /nfs/dbraw/zinc/93/27/16/1078932716.db2.gz IKMHPBSTOCVOSV-RHSMWYFYSA-N 1 0 405.392 2.565 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000805136781 1078933597 /nfs/dbraw/zinc/93/35/97/1078933597.db2.gz JCOCNIDXRVUJIA-AVRDEDQJSA-N 1 0 406.571 2.903 20 0 HFADRO COC[C@@H](C)n1c(SCC(=O)N(C)C[C@H]2CCC[N@@H+]2C)nnc1-c1ccccc1 ZINC001130097848 1078947929 /nfs/dbraw/zinc/94/79/29/1078947929.db2.gz GWUNIOXBKJSMFE-SJLPKXTDSA-N 1 0 417.579 2.797 20 0 HFADRO CN(CCN(CC[NH+]1CCCC1)C(=O)/C=C/c1ccco1)C(=O)/C=C\c1ccco1 ZINC000805201178 1078953111 /nfs/dbraw/zinc/95/31/11/1078953111.db2.gz AEZKQKCPLQQHDO-PNQPDEHRSA-N 1 0 411.502 2.982 20 0 HFADRO C[C@@H](OCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)c1nccn1C ZINC000805178529 1078963899 /nfs/dbraw/zinc/96/38/99/1078963899.db2.gz DPAHOJFFLADRPF-OAHLLOKOSA-N 1 0 403.502 2.806 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000805183644 1078965633 /nfs/dbraw/zinc/96/56/33/1078965633.db2.gz FQRNPULTMHPOTC-GUDVDZBRSA-N 1 0 411.587 2.887 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000805198913 1078971708 /nfs/dbraw/zinc/97/17/08/1078971708.db2.gz VHWMULYDJLLNGH-RPBOFIJWSA-N 1 0 423.557 2.571 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC000747237952 1078997706 /nfs/dbraw/zinc/99/77/06/1078997706.db2.gz BGZIQRLWOSVKKW-QJWNTBNXSA-N 1 0 414.527 2.598 20 0 HFADRO CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001170479650 1079017097 /nfs/dbraw/zinc/01/70/97/1079017097.db2.gz KMLPMVFHDRLCCC-XZOQPEGZSA-N 1 0 414.550 2.862 20 0 HFADRO CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001170479615 1079017127 /nfs/dbraw/zinc/01/71/27/1079017127.db2.gz KHQLYUVNDLHIAX-NRFANRHFSA-N 1 0 423.579 2.547 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000805332334 1079023079 /nfs/dbraw/zinc/02/30/79/1079023079.db2.gz RFTMYHRXUZIBBI-SJLPKXTDSA-N 1 0 420.554 2.618 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000805312584 1079033026 /nfs/dbraw/zinc/03/30/26/1079033026.db2.gz RNTOMFGGEQGHGA-UHFFFAOYSA-N 1 0 418.519 2.591 20 0 HFADRO COCCOCCOCCOCCNc1cc(C[NH+](C)C)ccc1Br ZINC001170479503 1079031963 /nfs/dbraw/zinc/03/19/63/1079031963.db2.gz PMGCTTSEJUJBDX-UHFFFAOYSA-N 1 0 419.360 2.619 20 0 HFADRO C[C@H]1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805394506 1079037812 /nfs/dbraw/zinc/03/78/12/1079037812.db2.gz QMPJGOMZBGNRRX-XQLPTFJDSA-N 1 0 406.493 2.594 20 0 HFADRO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)cc1 ZINC000747240311 1079042578 /nfs/dbraw/zinc/04/25/78/1079042578.db2.gz DTWWVUPFLNOSHX-UHFFFAOYSA-N 1 0 408.495 2.933 20 0 HFADRO CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000805424543 1079057936 /nfs/dbraw/zinc/05/79/36/1079057936.db2.gz GNBIXGSBRUQGEL-HNNXBMFYSA-N 1 0 406.504 2.533 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000747241336 1079060025 /nfs/dbraw/zinc/06/00/25/1079060025.db2.gz NOLPDIMAUVAWGR-JLHYYAGUSA-N 1 0 414.527 2.947 20 0 HFADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)NC[C@H]1CCC=CO1 ZINC000805433011 1079062181 /nfs/dbraw/zinc/06/21/81/1079062181.db2.gz JZGZQCZMMLHKOC-JOCHJYFZSA-N 1 0 413.562 2.646 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000805434770 1079063026 /nfs/dbraw/zinc/06/30/26/1079063026.db2.gz ZLLDIVZIZRLULO-MAUKXSAKSA-N 1 0 405.461 2.921 20 0 HFADRO COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000747242260 1079066451 /nfs/dbraw/zinc/06/64/51/1079066451.db2.gz HKIBUJWGMHSABB-QGZVFWFLSA-N 1 0 412.552 2.517 20 0 HFADRO COc1ccc(C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1-n1cnnn1 ZINC001130258436 1079146552 /nfs/dbraw/zinc/14/65/52/1079146552.db2.gz XMLUWFZTBCBBLR-HXUWFJFHSA-N 1 0 420.517 2.796 20 0 HFADRO COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC001130301075 1079192163 /nfs/dbraw/zinc/19/21/63/1079192163.db2.gz GRKVOPXWNNUGBA-RBUKOAKNSA-N 1 0 415.563 2.810 20 0 HFADRO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1S(=O)(=O)NC1CCCC1 ZINC001130301328 1079193318 /nfs/dbraw/zinc/19/33/18/1079193318.db2.gz LJRHLYYSZOIXQR-UXHICEINSA-N 1 0 419.591 2.963 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3nc(Cl)nc4ccn(C)c43)cc2)CC1 ZINC001170486046 1079206657 /nfs/dbraw/zinc/20/66/57/1079206657.db2.gz ATSIOPGYMZFWEL-WLYUNCDWSA-N 1 0 412.925 2.993 20 0 HFADRO Cc1cccc(C)c1CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000805678383 1079215919 /nfs/dbraw/zinc/21/59/19/1079215919.db2.gz KXISINDNTFNQNT-UHFFFAOYSA-N 1 0 403.592 2.788 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3ccnc(Cl)c3)cc2)CC1 ZINC000805747525 1079228606 /nfs/dbraw/zinc/22/86/06/1079228606.db2.gz ZOVYGYNTONWSPN-UHFFFAOYSA-N 1 0 402.882 2.672 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000805747840 1079229357 /nfs/dbraw/zinc/22/93/57/1079229357.db2.gz HVDDFTLPKBXBDB-IEBWSBKVSA-N 1 0 409.571 2.783 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[C@@H](O)CC(C)(C)C)CC1 ZINC000805726550 1079237322 /nfs/dbraw/zinc/23/73/22/1079237322.db2.gz NMRQPKWWVRWTTC-HXUWFJFHSA-N 1 0 404.551 2.806 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ncnc4cc5c(cc43)OCO5)cc2)CC1 ZINC001170487591 1079238805 /nfs/dbraw/zinc/23/88/05/1079238805.db2.gz XCSUVLGENNXDBZ-QQFBHYJXSA-N 1 0 419.485 2.730 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000805792124 1079257571 /nfs/dbraw/zinc/25/75/71/1079257571.db2.gz CGSGKWNEOQVANP-NRFANRHFSA-N 1 0 423.579 2.600 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000805765887 1079268144 /nfs/dbraw/zinc/26/81/44/1079268144.db2.gz RINKGELQINOHBD-QGZVFWFLSA-N 1 0 411.568 2.734 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]3C)CC2)cc1C ZINC001130369982 1079269070 /nfs/dbraw/zinc/26/90/70/1079269070.db2.gz LOMRWUQUIMROML-QYZOEREBSA-N 1 0 421.607 2.644 20 0 HFADRO CC[C@@H]1CC([NH+]2CCN(CC(=O)N(C)C)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170488949 1079275357 /nfs/dbraw/zinc/27/53/57/1079275357.db2.gz AIBCKQZXIYJGQN-QZTJIDSGSA-N 1 0 410.603 2.649 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000747268158 1079295172 /nfs/dbraw/zinc/29/51/72/1079295172.db2.gz ARODJKWBWNLJBI-QKQONQEDSA-N 1 0 414.527 2.816 20 0 HFADRO O=C(C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC001170490773 1079301002 /nfs/dbraw/zinc/30/10/02/1079301002.db2.gz OPDONPIQHAFNTN-BEFAXECRSA-N 1 0 423.439 2.611 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc4c(cn3)C(C)(C)C(=O)N4)cc2)CC1 ZINC001170490992 1079302143 /nfs/dbraw/zinc/30/21/43/1079302143.db2.gz YWIGRYTXSLFLLP-QQFBHYJXSA-N 1 0 407.518 2.683 20 0 HFADRO Cc1cccnc1[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)C(C)C ZINC000805872740 1079314194 /nfs/dbraw/zinc/31/41/94/1079314194.db2.gz UHCWYTBCAHNZAZ-NRFANRHFSA-N 1 0 410.562 2.836 20 0 HFADRO CC1(C(=O)Oc2ccc(C[C@H]3NC(=O)NC3=O)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000805877102 1079318612 /nfs/dbraw/zinc/31/86/12/1079318612.db2.gz XZFXTTZITJMPAO-HXUWFJFHSA-N 1 0 421.497 2.645 20 0 HFADRO Cc1nn(CCOC(=O)C2CC[NH+](C3CC3)CC2)c2ncc(Br)cc12 ZINC000805892754 1079323598 /nfs/dbraw/zinc/32/35/98/1079323598.db2.gz JGMIYTRCIAXILE-UHFFFAOYSA-N 1 0 407.312 2.920 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000805940744 1079343105 /nfs/dbraw/zinc/34/31/05/1079343105.db2.gz BDHJGQFSNYXMKB-UGKGYDQZSA-N 1 0 411.546 2.514 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000805940741 1079343264 /nfs/dbraw/zinc/34/32/64/1079343264.db2.gz BDHJGQFSNYXMKB-DENIHFKCSA-N 1 0 411.546 2.514 20 0 HFADRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000747281835 1079352705 /nfs/dbraw/zinc/35/27/05/1079352705.db2.gz MZWBVJFWEHHHBI-LLVKDONJSA-N 1 0 409.335 2.885 20 0 HFADRO NC(=O)c1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC001626114875 1079390290 /nfs/dbraw/zinc/39/02/90/1079390290.db2.gz ANFSCSVLJZEBEQ-RBBKRZOGSA-N 1 0 418.472 2.718 20 0 HFADRO CCOC(=O)Cc1cccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)n1 ZINC001170496614 1079400187 /nfs/dbraw/zinc/40/01/87/1079400187.db2.gz WLYVMQXJCWVLFA-WWDZGPRUSA-N 1 0 410.518 2.559 20 0 HFADRO CCNC(=O)Oc1cccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130489316 1079413125 /nfs/dbraw/zinc/41/31/25/1079413125.db2.gz CLVQBIVUANMDNK-UXHICEINSA-N 1 0 414.506 2.948 20 0 HFADRO COC(=O)[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1c1ccccc1 ZINC001130502140 1079419195 /nfs/dbraw/zinc/41/91/95/1079419195.db2.gz YLUZOUITLHHMIR-XZOQPEGZSA-N 1 0 424.541 2.975 20 0 HFADRO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000772846185 1079429014 /nfs/dbraw/zinc/42/90/14/1079429014.db2.gz MLYZSAWQGKSSEY-JQHSSLGASA-N 1 0 423.579 2.765 20 0 HFADRO O=S(=O)(Cc1ccccc1C[NH2+][C@H]1CCc2nc(Cl)ccc21)N1CCOCC1 ZINC000806132153 1079435130 /nfs/dbraw/zinc/43/51/30/1079435130.db2.gz RMJDSJNHGWYSBG-SFHVURJKSA-N 1 0 421.950 2.674 20 0 HFADRO CCc1ncc(Cl)c(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001130527164 1079436102 /nfs/dbraw/zinc/43/61/02/1079436102.db2.gz ANVHXZJXDWRZDT-ROUUACIJSA-N 1 0 400.910 2.808 20 0 HFADRO C[C@H](Sc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCCC1 ZINC001130518240 1079449433 /nfs/dbraw/zinc/44/94/33/1079449433.db2.gz ISJUOQDEHSZFOW-UHOSZYNNSA-N 1 0 416.591 2.931 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1-n1cncn1 ZINC001130519842 1079451509 /nfs/dbraw/zinc/45/15/09/1079451509.db2.gz XVQUEZRQRDYINF-HZPDHXFCSA-N 1 0 404.312 2.777 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2 ZINC001130523672 1079459047 /nfs/dbraw/zinc/45/90/47/1079459047.db2.gz IMDWAYFDJGVDGC-INIZCTEOSA-N 1 0 407.559 2.730 20 0 HFADRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)C2=O)c(OC)c1 ZINC000806170435 1079461629 /nfs/dbraw/zinc/46/16/29/1079461629.db2.gz SZRFAJRYKJTTLK-KCITZHQASA-N 1 0 408.589 2.774 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC001130544330 1079475822 /nfs/dbraw/zinc/47/58/22/1079475822.db2.gz NMLGIDHKTGMRGO-IBGZPJMESA-N 1 0 401.551 2.991 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806182932 1079477166 /nfs/dbraw/zinc/47/71/66/1079477166.db2.gz HNHVCGXFOHYUNI-ZIFCJYIRSA-N 1 0 423.579 2.733 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335851 1076746689 /nfs/dbraw/zinc/74/66/89/1076746689.db2.gz VWOARKMIXJMFFG-KURKYZTESA-N 1 0 424.586 2.669 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000787335845 1076746734 /nfs/dbraw/zinc/74/67/34/1076746734.db2.gz VWOARKMIXJMFFG-FGTMMUONSA-N 1 0 424.586 2.669 20 0 HFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000787299133 1076747444 /nfs/dbraw/zinc/74/74/44/1076747444.db2.gz FTRDFKXYWYRYIA-HZPDHXFCSA-N 1 0 407.518 2.953 20 0 HFADRO NC(=O)c1ncccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000787301162 1076749946 /nfs/dbraw/zinc/74/99/46/1076749946.db2.gz DOXOWBYBEPIGFI-UHFFFAOYSA-N 1 0 409.490 2.637 20 0 HFADRO COc1cccc2[nH]cc(CCNC(=O)N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)c21 ZINC000787310729 1076757194 /nfs/dbraw/zinc/75/71/94/1076757194.db2.gz PBFGRAXGTDTFJY-INIZCTEOSA-N 1 0 400.523 2.614 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCCC(=O)OCc1ccccc1 ZINC000787313183 1076759400 /nfs/dbraw/zinc/75/94/00/1076759400.db2.gz WDVHHWMAEZKKIZ-LJQANCHMSA-N 1 0 417.550 2.795 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)n[nH]2)C1 ZINC000787337951 1076782771 /nfs/dbraw/zinc/78/27/71/1076782771.db2.gz USYDCCJTFNXDQB-IRXDYDNUSA-N 1 0 417.554 2.835 20 0 HFADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCC(=O)Nc1sccc1C(N)=O ZINC000746677773 1076791680 /nfs/dbraw/zinc/79/16/80/1076791680.db2.gz UGVCBQSFCLHTLI-MRXNPFEDSA-N 1 0 400.548 2.772 20 0 HFADRO CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C[NH+](CC)CC)cc2)c1=O ZINC000787353793 1076793711 /nfs/dbraw/zinc/79/37/11/1076793711.db2.gz NNDJJPYYXOMXAU-UHFFFAOYSA-N 1 0 408.502 2.664 20 0 HFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787396237 1076807110 /nfs/dbraw/zinc/80/71/10/1076807110.db2.gz YAGYDGQOAZYVGU-IRXDYDNUSA-N 1 0 419.570 2.938 20 0 HFADRO C[C@H]1CN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)C[C@H](CO)O1 ZINC000787407107 1076809715 /nfs/dbraw/zinc/80/97/15/1076809715.db2.gz RVMYASTVTXCLME-FXAWDEMLSA-N 1 0 418.538 2.505 20 0 HFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787448198 1076814675 /nfs/dbraw/zinc/81/46/75/1076814675.db2.gz BQFOBAQHKRBWEL-JTDSTZFVSA-N 1 0 417.554 2.690 20 0 HFADRO C[NH+]1CCC(C)(CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787509527 1076830192 /nfs/dbraw/zinc/83/01/92/1076830192.db2.gz QRMMUSPAPFWOKD-OAHLLOKOSA-N 1 0 405.543 2.596 20 0 HFADRO COC(=O)c1cc2ccc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)cc2[nH]1 ZINC001170074472 1076845380 /nfs/dbraw/zinc/84/53/80/1076845380.db2.gz QRMZQCMPNZGQGQ-UHFFFAOYSA-N 1 0 424.482 2.657 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000787592203 1076862531 /nfs/dbraw/zinc/86/25/31/1076862531.db2.gz QZDABQNGCOKIOE-FQEVSTJZSA-N 1 0 419.541 2.637 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787576316 1076869404 /nfs/dbraw/zinc/86/94/04/1076869404.db2.gz OWBZQPDTVCAVBD-MRXNPFEDSA-N 1 0 407.559 2.938 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cccc(I)c2)CC1 ZINC000787579403 1076871008 /nfs/dbraw/zinc/87/10/08/1076871008.db2.gz VHTZGIODPHRRIU-UHFFFAOYSA-N 1 0 416.303 2.864 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)no1 ZINC000787626740 1076883010 /nfs/dbraw/zinc/88/30/10/1076883010.db2.gz OPMUICUOSKGOAI-HXUWFJFHSA-N 1 0 410.518 2.600 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(=O)/C=C\c3ccc(Cl)cc3)C[C@H]2C1 ZINC000787633410 1076884990 /nfs/dbraw/zinc/88/49/90/1076884990.db2.gz JGTFOFSFRMJPPF-PPLYLHSUSA-N 1 0 401.938 2.754 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000787600748 1076887998 /nfs/dbraw/zinc/88/79/98/1076887998.db2.gz XUAOTEIGSWAGHI-FQEVSTJZSA-N 1 0 416.566 2.890 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C ZINC000787643172 1076894062 /nfs/dbraw/zinc/89/40/62/1076894062.db2.gz QUWRTXLIQYSBBS-IYBDPMFKSA-N 1 0 418.538 2.752 20 0 HFADRO C[C@@H](NC(=O)C(=O)NCC[NH+]1CCC(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000787663649 1076903866 /nfs/dbraw/zinc/90/38/66/1076903866.db2.gz ITBAOFHJMIAACE-CQSZACIVSA-N 1 0 401.429 2.611 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000746701885 1076906304 /nfs/dbraw/zinc/90/63/04/1076906304.db2.gz KOGDTZDEPGCTOV-UGFHNGPFSA-N 1 0 415.968 2.822 20 0 HFADRO Cc1cc2nc(N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c3ccccc3n2n1 ZINC000746703443 1076906538 /nfs/dbraw/zinc/90/65/38/1076906538.db2.gz HAVLWDXSOBZUHI-MRXNPFEDSA-N 1 0 410.522 2.836 20 0 HFADRO CC(C)c1ccc(N2CC[C@H](C(=O)N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)C2=O)cc1 ZINC000787673350 1076906558 /nfs/dbraw/zinc/90/65/58/1076906558.db2.gz QLBAUVDYJNNPLY-PGRDOPGGSA-N 1 0 413.562 2.875 20 0 HFADRO CN1CC[C@H]([NH2+]C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000787687711 1076912151 /nfs/dbraw/zinc/91/21/51/1076912151.db2.gz HTFWXBMYCGAXND-HBMCJLEFSA-N 1 0 424.513 2.611 20 0 HFADRO CN1CC[C@H]([NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H]1c1ccccc1 ZINC000787689537 1076913440 /nfs/dbraw/zinc/91/34/40/1076913440.db2.gz LKNOSDROOLGINY-OXJNMPFZSA-N 1 0 412.559 2.699 20 0 HFADRO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000787692843 1076914754 /nfs/dbraw/zinc/91/47/54/1076914754.db2.gz XVRDDIYQMPYTNM-XUZZJYLKSA-N 1 0 403.530 2.635 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C1 ZINC000787707329 1076919828 /nfs/dbraw/zinc/91/98/28/1076919828.db2.gz DFKCMZWSOCFYKB-GCKMJXCFSA-N 1 0 413.559 2.593 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000787709549 1076921664 /nfs/dbraw/zinc/92/16/64/1076921664.db2.gz XVPSRLKMFWJTFJ-WOIUINJBSA-N 1 0 415.578 2.755 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000787752143 1076927035 /nfs/dbraw/zinc/92/70/35/1076927035.db2.gz SDGINFYZYIJXTK-KNQAVFIVSA-N 1 0 409.530 2.832 20 0 HFADRO O=C(NCc1cnc(N2CCOCC2)s1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000787757208 1076928677 /nfs/dbraw/zinc/92/86/77/1076928677.db2.gz SXDYQCZNZMBWEJ-KRWDZBQOSA-N 1 0 418.538 2.647 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000787761546 1076929662 /nfs/dbraw/zinc/92/96/62/1076929662.db2.gz KTIBMXVYSYZCGM-FPMFFAJLSA-N 1 0 406.449 2.847 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787735221 1076935284 /nfs/dbraw/zinc/93/52/84/1076935284.db2.gz FFQJQXICJLQYOR-JOCHJYFZSA-N 1 0 408.546 2.816 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2Cc3cnnn3Cc3ccccc32)cc1 ZINC000787810860 1076951141 /nfs/dbraw/zinc/95/11/41/1076951141.db2.gz CQPVVPBAPHSUOK-FMIVXFBMSA-N 1 0 403.486 2.827 20 0 HFADRO CN(C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CCCCCCC1 ZINC000787850287 1076963801 /nfs/dbraw/zinc/96/38/01/1076963801.db2.gz DZAZRZIHBAQMQJ-UHFFFAOYSA-N 1 0 414.594 2.886 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)Cc2cnn(-c3ccccc3)n2)cc1 ZINC000787877038 1076972475 /nfs/dbraw/zinc/97/24/75/1076972475.db2.gz ZOUZHCVBKUOSMO-UHFFFAOYSA-N 1 0 420.517 2.706 20 0 HFADRO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000787880371 1076974290 /nfs/dbraw/zinc/97/42/90/1076974290.db2.gz RYAYAZSSWLPETM-CABCVRRESA-N 1 0 411.930 2.683 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)cc1 ZINC000787886042 1076978035 /nfs/dbraw/zinc/97/80/35/1076978035.db2.gz KZGRGVSHWCOYAV-SFHVURJKSA-N 1 0 405.445 2.595 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000787891351 1076980102 /nfs/dbraw/zinc/98/01/02/1076980102.db2.gz VUFPBIVWALTTHE-QGZVFWFLSA-N 1 0 400.910 2.962 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000787904268 1076988660 /nfs/dbraw/zinc/98/86/60/1076988660.db2.gz QVPRXMXDSQZFTG-LEWJYISDSA-N 1 0 414.594 2.851 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787908998 1076990985 /nfs/dbraw/zinc/99/09/85/1076990985.db2.gz HDTSMWAXDVKSHH-RZUBCFFCSA-N 1 0 417.594 2.751 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787909002 1076991261 /nfs/dbraw/zinc/99/12/61/1076991261.db2.gz HDTSMWAXDVKSHH-VWPQPMDRSA-N 1 0 417.594 2.751 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000787916835 1076994806 /nfs/dbraw/zinc/99/48/06/1076994806.db2.gz YQJUMMQTUIHMMU-NSHGMRRFSA-N 1 0 417.598 2.832 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC000787919176 1076996690 /nfs/dbraw/zinc/99/66/90/1076996690.db2.gz BFUWMTKSBBNUTE-UHFFFAOYSA-N 1 0 418.538 2.723 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000787895173 1077002794 /nfs/dbraw/zinc/00/27/94/1077002794.db2.gz VZOQIPABTSEXRI-HSZRJFAPSA-N 1 0 413.493 2.726 20 0 HFADRO CC(C)Oc1ncccc1CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000787992345 1077020604 /nfs/dbraw/zinc/02/06/04/1077020604.db2.gz ZZZHIBXZKHJLPJ-DEOSSOPVSA-N 1 0 424.545 2.513 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000746722862 1077022264 /nfs/dbraw/zinc/02/22/64/1077022264.db2.gz OABKHSFEIKWSCW-SFHVURJKSA-N 1 0 408.518 2.627 20 0 HFADRO NC(=O)c1c(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)sc2c1CCCC2 ZINC000787995931 1077022960 /nfs/dbraw/zinc/02/29/60/1077022960.db2.gz OBWONSKKUHAKFK-XWIAVFTESA-N 1 0 403.548 2.602 20 0 HFADRO COC(=O)NCCc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CCCCC2)s1 ZINC000788039772 1077036810 /nfs/dbraw/zinc/03/68/10/1077036810.db2.gz IWCPWWWUBWYKGQ-UHFFFAOYSA-N 1 0 417.597 2.532 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(CN(C)C(=O)OC)cc2)C1 ZINC000746725925 1077044306 /nfs/dbraw/zinc/04/43/06/1077044306.db2.gz TZVKVCDGDPQMFB-LJQANCHMSA-N 1 0 406.527 2.849 20 0 HFADRO O=C(OCc1ccccc1)N1CCC(CN2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000788022007 1077048322 /nfs/dbraw/zinc/04/83/22/1077048322.db2.gz KILFAOBATFPQKY-QFIPXVFZSA-N 1 0 401.551 2.689 20 0 HFADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)NOC[C@@H]1CCOC1 ZINC000788088765 1077055444 /nfs/dbraw/zinc/05/54/44/1077055444.db2.gz PKTUCTWPUWZEHK-HXUWFJFHSA-N 1 0 424.545 2.776 20 0 HFADRO O=C(C1CC[NH+](C2CC2)CC1)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 ZINC000788182693 1077068060 /nfs/dbraw/zinc/06/80/60/1077068060.db2.gz CKQPVNGCOASBMK-UHFFFAOYSA-N 1 0 400.500 2.989 20 0 HFADRO CN1CC[N@H+](CCCNC(=O)CC2CCC3(CC2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000788154449 1077070107 /nfs/dbraw/zinc/07/01/07/1077070107.db2.gz FGPMJSBNCQSJMS-JOCHJYFZSA-N 1 0 415.578 2.805 20 0 HFADRO CN1CC[N@H+](CCCNC(=O)CC2CCC3(CC2)OCCO3)[C@H](c2ccccc2)C1 ZINC000788154450 1077070135 /nfs/dbraw/zinc/07/01/35/1077070135.db2.gz FGPMJSBNCQSJMS-QFIPXVFZSA-N 1 0 415.578 2.805 20 0 HFADRO COc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cnc1Br ZINC000788169338 1077073813 /nfs/dbraw/zinc/07/38/13/1077073813.db2.gz VSGKEHCYEIWDGS-UHFFFAOYSA-N 1 0 405.296 2.642 20 0 HFADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CC3CCC4(CC3)OCCO4)c2)CC1 ZINC000788171046 1077074325 /nfs/dbraw/zinc/07/43/25/1077074325.db2.gz WTDCRGFMRGQCGH-UHFFFAOYSA-N 1 0 415.534 2.646 20 0 HFADRO COc1ccc([C@@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000788262952 1077088498 /nfs/dbraw/zinc/08/84/98/1077088498.db2.gz JAZYMKHBOJJPDN-FXAWDEMLSA-N 1 0 424.549 2.915 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1cnn(C)c1 ZINC000788305879 1077092757 /nfs/dbraw/zinc/09/27/57/1077092757.db2.gz FLXMJIGTSMLUPK-VMWRSERWSA-N 1 0 407.559 2.565 20 0 HFADRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788288691 1077098793 /nfs/dbraw/zinc/09/87/93/1077098793.db2.gz RLYFKTWMOWJQLA-OYRHEFFESA-N 1 0 422.529 2.569 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000788337620 1077107285 /nfs/dbraw/zinc/10/72/85/1077107285.db2.gz CVFTUFWJCPDVDW-UHFFFAOYSA-N 1 0 410.946 2.561 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCSC(C)(C)C ZINC000788362607 1077126193 /nfs/dbraw/zinc/12/61/93/1077126193.db2.gz FWPOBLRMRXZVHX-GOSISDBHSA-N 1 0 406.596 2.542 20 0 HFADRO CCC[C@@H]1CN(Cn2nc(-c3cnn(C)c3)ccc2=O)CC[N@@H+]1Cc1ccccc1 ZINC000788366241 1077128793 /nfs/dbraw/zinc/12/87/93/1077128793.db2.gz AMFCEVBCKMQIKR-OAQYLSRUSA-N 1 0 406.534 2.588 20 0 HFADRO Cn1cc(-c2ccc(=O)n(CN3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)n2)cn1 ZINC000788373603 1077132369 /nfs/dbraw/zinc/13/23/69/1077132369.db2.gz MEBMXWWKWGMABK-XMMPIXPASA-N 1 0 418.545 2.589 20 0 HFADRO CC1(C)CCN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CCS1 ZINC000788377017 1077133508 /nfs/dbraw/zinc/13/35/08/1077133508.db2.gz DFRFGEQVRYVFSX-JOCHJYFZSA-N 1 0 416.591 2.748 20 0 HFADRO CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788422471 1077141105 /nfs/dbraw/zinc/14/11/05/1077141105.db2.gz WPPVTJKTCLBRKW-UHFFFAOYSA-N 1 0 411.568 2.768 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000788436458 1077146176 /nfs/dbraw/zinc/14/61/76/1077146176.db2.gz LRTKEFXWHLXBNF-LLYLOPHFSA-N 1 0 400.585 2.949 20 0 HFADRO Cc1ccc(O[C@H](C)CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000788414212 1077157720 /nfs/dbraw/zinc/15/77/20/1077157720.db2.gz VMBZKCNYOCIYAH-CJFMBICVSA-N 1 0 423.557 2.907 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788505057 1077184778 /nfs/dbraw/zinc/18/47/78/1077184778.db2.gz RGKHHXMJBHHACC-INMHGKMJSA-N 1 0 411.568 2.882 20 0 HFADRO C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1nc(Br)ccc1F ZINC000788508269 1077185992 /nfs/dbraw/zinc/18/59/92/1077185992.db2.gz UPYMWNCGLMIPRN-LLVKDONJSA-N 1 0 413.291 2.889 20 0 HFADRO C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1nc(Br)ccc1F ZINC000788508272 1077186283 /nfs/dbraw/zinc/18/62/83/1077186283.db2.gz UPYMWNCGLMIPRN-NSHDSACASA-N 1 0 413.291 2.889 20 0 HFADRO C[C@@H]1C[NH+](CCCNC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000746747696 1077190912 /nfs/dbraw/zinc/19/09/12/1077190912.db2.gz SRDQOYQZFWIYTN-IAGOWNOFSA-N 1 0 412.575 2.527 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000788537662 1077193115 /nfs/dbraw/zinc/19/31/15/1077193115.db2.gz WGUXKLUYDRFNBR-UHFFFAOYSA-N 1 0 413.559 2.804 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000788539605 1077193683 /nfs/dbraw/zinc/19/36/83/1077193683.db2.gz RHWJSGCQHAEGCF-UHFFFAOYSA-N 1 0 403.976 2.784 20 0 HFADRO C[C@H]1C[C@H](CCNC(=O)C(=O)NCCSC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000788546849 1077196003 /nfs/dbraw/zinc/19/60/03/1077196003.db2.gz MBUYENWLLWNKMY-HOCLYGCPSA-N 1 0 417.497 2.773 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000788546977 1077196458 /nfs/dbraw/zinc/19/64/58/1077196458.db2.gz JANKHXXMXQUJQD-UHFFFAOYSA-N 1 0 413.559 2.803 20 0 HFADRO COc1cc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cnc1Br ZINC000788531256 1077204212 /nfs/dbraw/zinc/20/42/12/1077204212.db2.gz WHLBQPPSUVIHJE-GXTWGEPZSA-N 1 0 400.342 2.505 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]CCn2cnc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000788568865 1077208838 /nfs/dbraw/zinc/20/88/38/1077208838.db2.gz DYYAIROSDIEPCZ-SJLPKXTDSA-N 1 0 402.495 2.567 20 0 HFADRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 ZINC000788586881 1077213210 /nfs/dbraw/zinc/21/32/10/1077213210.db2.gz GIOPSZJGKPAQEP-CQSZACIVSA-N 1 0 409.552 2.645 20 0 HFADRO CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C[NH+](C)C)cc3)CC2)c(F)c1 ZINC000788591726 1077215586 /nfs/dbraw/zinc/21/55/86/1077215586.db2.gz JDMYRSSENHVAKE-UHFFFAOYSA-N 1 0 419.522 2.601 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1 ZINC000788602385 1077219859 /nfs/dbraw/zinc/21/98/59/1077219859.db2.gz BGKSPUITCCBHKB-IAGOWNOFSA-N 1 0 401.960 2.581 20 0 HFADRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000788611925 1077220533 /nfs/dbraw/zinc/22/05/33/1077220533.db2.gz SPSVVMKOHFRVFM-ZFWWWQNUSA-N 1 0 414.344 2.988 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788608119 1077222204 /nfs/dbraw/zinc/22/22/04/1077222204.db2.gz IUUSCXIPJUBULU-UHFFFAOYSA-N 1 0 411.568 2.674 20 0 HFADRO C[C@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C[NH+]1CCCCC1 ZINC000788645196 1077223136 /nfs/dbraw/zinc/22/31/36/1077223136.db2.gz NMACRACPZMDNPY-UIFIKXQLSA-N 1 0 424.545 2.817 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000788653300 1077226731 /nfs/dbraw/zinc/22/67/31/1077226731.db2.gz FGZPFSQGBZTWBZ-QMMLZNLJSA-N 1 0 424.545 2.815 20 0 HFADRO COc1ccc(CCS(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000788617018 1077229596 /nfs/dbraw/zinc/22/95/96/1077229596.db2.gz BUKCGLRKEUHSED-OAQYLSRUSA-N 1 0 402.560 2.722 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)=NO1 ZINC000788630490 1077237279 /nfs/dbraw/zinc/23/72/79/1077237279.db2.gz KDCHRXNHYUDOFV-GOSISDBHSA-N 1 0 416.522 2.568 20 0 HFADRO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)C3CN(C(=O)OC(C)(C)C)C3)c2cc1C ZINC000788641304 1077243502 /nfs/dbraw/zinc/24/35/02/1077243502.db2.gz CUXBVCWSTKBGIO-AEFFLSMTSA-N 1 0 402.539 2.859 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC000788677333 1077246563 /nfs/dbraw/zinc/24/65/63/1077246563.db2.gz SVPODQLFLMMXMV-HDICACEKSA-N 1 0 423.579 2.911 20 0 HFADRO CCC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000790912070 1077246582 /nfs/dbraw/zinc/24/65/82/1077246582.db2.gz MVGNELVRIRQMCQ-UHFFFAOYSA-N 1 0 401.551 2.884 20 0 HFADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccc(Br)o2)CC1)C(F)(F)F ZINC000790962697 1077255498 /nfs/dbraw/zinc/25/54/98/1077255498.db2.gz IOAGQHSPJFPBPI-UHFFFAOYSA-N 1 0 405.236 2.693 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788663776 1077258885 /nfs/dbraw/zinc/25/88/85/1077258885.db2.gz WQFHOQGYNNPKAW-NJYVYQBISA-N 1 0 424.545 2.959 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H](C)[C@H](O)Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000788670285 1077261612 /nfs/dbraw/zinc/26/16/12/1077261612.db2.gz IOUXWLSDMKTDFW-AITUJVMLSA-N 1 0 406.523 2.509 20 0 HFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788712426 1077267897 /nfs/dbraw/zinc/26/78/97/1077267897.db2.gz UKAIORLRJYHOJR-SFHVURJKSA-N 1 0 414.550 2.942 20 0 HFADRO C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000788753099 1077277025 /nfs/dbraw/zinc/27/70/25/1077277025.db2.gz GVMFSQZAAPWERD-GOSISDBHSA-N 1 0 403.523 2.500 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000746761083 1077278553 /nfs/dbraw/zinc/27/85/53/1077278553.db2.gz QNXNUFSNVALTJZ-MSOLQXFVSA-N 1 0 412.575 2.528 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000788762401 1077279520 /nfs/dbraw/zinc/27/95/20/1077279520.db2.gz GQLWZRFPGVVPSR-ILXRZTDVSA-N 1 0 414.344 2.846 20 0 HFADRO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000788760715 1077279568 /nfs/dbraw/zinc/27/95/68/1077279568.db2.gz CGICTAUWHFLUMR-ZIAGYGMSSA-N 1 0 414.344 2.846 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+]CCC2(C)OCCO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788737024 1077285698 /nfs/dbraw/zinc/28/56/98/1077285698.db2.gz HBUWFJWDLOKHMV-INIZCTEOSA-N 1 0 414.543 2.698 20 0 HFADRO CCOC1CC(C[NH2+][C@H](C)c2nc(Br)ccc2F)(N2CCOCC2)C1 ZINC000788778113 1077298560 /nfs/dbraw/zinc/29/85/60/1077298560.db2.gz XADXYMCXFGCKMZ-WRSVWVKZSA-N 1 0 416.335 2.904 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000746765201 1077301833 /nfs/dbraw/zinc/30/18/33/1077301833.db2.gz GJIDPNLGXHISMD-ROUUACIJSA-N 1 0 412.575 2.528 20 0 HFADRO O=C(CCCC[NH+]1CCCC1)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000791115451 1077302196 /nfs/dbraw/zinc/30/21/96/1077302196.db2.gz XOIAVERFQRQTRS-SFHVURJKSA-N 1 0 413.440 2.851 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]CCC(=O)NCC(=O)c1ccccc1 ZINC000796653241 1077303006 /nfs/dbraw/zinc/30/30/06/1077303006.db2.gz GGKAHBWVXVOKIQ-WWMYMODYSA-N 1 0 417.550 2.999 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)CCN1C(=O)OC(C)(C)C ZINC000788814693 1077306206 /nfs/dbraw/zinc/30/62/06/1077306206.db2.gz AAZRYQOXVVHLHV-AEFFLSMTSA-N 1 0 402.495 2.636 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C2CCN(c3nccs3)CC2)CCN1C(=O)OC(C)(C)C ZINC000788817042 1077307055 /nfs/dbraw/zinc/30/70/55/1077307055.db2.gz WWWZBIDPICCMQU-CVEARBPZSA-N 1 0 424.567 2.643 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)CCN1C(=O)OC(C)(C)C ZINC000788825348 1077310997 /nfs/dbraw/zinc/31/09/97/1077310997.db2.gz YSCPWUJTULCXKQ-LNLFQRSKSA-N 1 0 404.507 2.911 20 0 HFADRO C[C@@H]1CN(c2ccc(NC(=O)c3cccc(N4CC[NH+](C)CC4)n3)cc2)C[C@H](C)O1 ZINC000791187056 1077318316 /nfs/dbraw/zinc/31/83/16/1077318316.db2.gz DPPANIFCYHTOBW-HDICACEKSA-N 1 0 409.534 2.699 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000788851079 1077320199 /nfs/dbraw/zinc/32/01/99/1077320199.db2.gz SKASYAWTXVXUFX-XLIONFOSSA-N 1 0 418.538 2.702 20 0 HFADRO Cc1c(Cl)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)sc1S(N)(=O)=O ZINC000791197515 1077320986 /nfs/dbraw/zinc/32/09/86/1077320986.db2.gz QQLGJCRFHRWTJW-GFCCVEGCSA-N 1 0 419.931 2.529 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc(F)c1F ZINC000788881472 1077328555 /nfs/dbraw/zinc/32/85/55/1077328555.db2.gz IGLWTQVHHDTXFY-INIZCTEOSA-N 1 0 404.479 2.540 20 0 HFADRO COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000791183064 1077331392 /nfs/dbraw/zinc/33/13/92/1077331392.db2.gz BJGNNYSGKDERIR-SFHVURJKSA-N 1 0 424.563 2.514 20 0 HFADRO Cc1c(Cl)c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)sc1S(N)(=O)=O ZINC000791208262 1077344539 /nfs/dbraw/zinc/34/45/39/1077344539.db2.gz GSERJNUCYSBAKB-PHIMTYICSA-N 1 0 422.016 2.844 20 0 HFADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000791214690 1077346825 /nfs/dbraw/zinc/34/68/25/1077346825.db2.gz LQEVDVHNHUDNDR-INIZCTEOSA-N 1 0 415.481 2.770 20 0 HFADRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000788915189 1077353057 /nfs/dbraw/zinc/35/30/57/1077353057.db2.gz HZQTZORDHCELSX-UHFFFAOYSA-N 1 0 407.458 2.684 20 0 HFADRO COc1ccc2nc(C[NH2+]C3CCN(S(=O)(=O)C(F)(F)F)CC3)sc2c1 ZINC000788963498 1077364415 /nfs/dbraw/zinc/36/44/15/1077364415.db2.gz HLIQJHKXCIINNG-UHFFFAOYSA-N 1 0 409.455 2.709 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000746996027 1077366751 /nfs/dbraw/zinc/36/67/51/1077366751.db2.gz JMEXHVCFAYJVAH-UHFFFAOYSA-N 1 0 420.435 2.712 20 0 HFADRO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000788936438 1077369356 /nfs/dbraw/zinc/36/93/56/1077369356.db2.gz LPWNKKRPVPEDOV-FQEVSTJZSA-N 1 0 418.582 2.717 20 0 HFADRO CC[C@@H](C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1)[NH+](CC)CC ZINC000791285994 1077370465 /nfs/dbraw/zinc/37/04/65/1077370465.db2.gz COPPAVAFORVIAJ-HNNXBMFYSA-N 1 0 421.343 2.565 20 0 HFADRO C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C)[NH+]1CCCCCC1 ZINC000791309616 1077381912 /nfs/dbraw/zinc/38/19/12/1077381912.db2.gz VLOUCTJPELDEOV-ROUUACIJSA-N 1 0 419.570 2.805 20 0 HFADRO COc1ccc([C@H](CNC(=O)COC(=O)c2ccnc(C)c2)[NH+]2CCCCC2)cc1 ZINC000789021508 1077387046 /nfs/dbraw/zinc/38/70/46/1077387046.db2.gz IUZAVLGNXBAAQG-NRFANRHFSA-N 1 0 411.502 2.899 20 0 HFADRO O=C(NC[C@H]1CCCN(c2ccccc2)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000789023395 1077387784 /nfs/dbraw/zinc/38/77/84/1077387784.db2.gz WFUUUGJWOVCQND-KNQAVFIVSA-N 1 0 400.567 2.846 20 0 HFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)c2cc(C(C)C)nn2C)CC1 ZINC000747006670 1077390663 /nfs/dbraw/zinc/39/06/63/1077390663.db2.gz SHQXSUCYHUIHOP-UHFFFAOYSA-N 1 0 412.534 2.743 20 0 HFADRO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000747008520 1077396063 /nfs/dbraw/zinc/39/60/63/1077396063.db2.gz QILNAHYABARJQC-XFXZXTDPSA-N 1 0 401.507 2.534 20 0 HFADRO C[C@H](OC(=O)c1c[nH]nc1-c1ccoc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000789077352 1077398454 /nfs/dbraw/zinc/39/84/54/1077398454.db2.gz NZTXOVUWKTTYOM-INIZCTEOSA-N 1 0 422.485 2.996 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000747012696 1077406158 /nfs/dbraw/zinc/40/61/58/1077406158.db2.gz BXUPAGCWFBNRDQ-UHFFFAOYSA-N 1 0 424.545 2.872 20 0 HFADRO CCN(C)C(=O)[C@@H](C)NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000789087721 1077408176 /nfs/dbraw/zinc/40/81/76/1077408176.db2.gz SASXQKIWMDMJEE-QGZVFWFLSA-N 1 0 417.554 2.880 20 0 HFADRO C[C@H]1CN(c2ccc(NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)C[C@H](C)O1 ZINC000746788089 1077417478 /nfs/dbraw/zinc/41/74/78/1077417478.db2.gz LNERELNOKGDMIS-IRXDYDNUSA-N 1 0 416.566 2.618 20 0 HFADRO CC(C)[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H](O)c1ccccc1 ZINC000789112915 1077418961 /nfs/dbraw/zinc/41/89/61/1077418961.db2.gz HHOVPCJXNSEGLN-CZYKHXBRSA-N 1 0 403.567 2.812 20 0 HFADRO Cc1nc(CC2CC2)oc1C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789153151 1077436901 /nfs/dbraw/zinc/43/69/01/1077436901.db2.gz VVWPHTINRPCPPB-LPHOPBHVSA-N 1 0 411.502 2.872 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000791510231 1077449225 /nfs/dbraw/zinc/44/92/25/1077449225.db2.gz NYDWCIGUTMEHIG-HJPURHCSSA-N 1 0 423.513 2.760 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3cccc(OCC[NH+](C)C)c3)C2)c1 ZINC000791514475 1077451891 /nfs/dbraw/zinc/45/18/91/1077451891.db2.gz NHDANXNXTQOFDN-OAQYLSRUSA-N 1 0 413.474 2.776 20 0 HFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792369 1077456795 /nfs/dbraw/zinc/45/67/95/1077456795.db2.gz BTOZOMOMHMYKAL-LJQANCHMSA-N 1 0 409.534 2.965 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)NCC3([NH+]4CCC(OC)CC4)CCCC3)C2)c1 ZINC000791575870 1077468238 /nfs/dbraw/zinc/46/82/38/1077468238.db2.gz QRHFKNJRDIMNHD-NRFANRHFSA-N 1 0 415.534 2.728 20 0 HFADRO COC(=O)CC1([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CCCC1 ZINC000791584044 1077472070 /nfs/dbraw/zinc/47/20/70/1077472070.db2.gz PZVPWJZKZAHTLR-UHFFFAOYSA-N 1 0 401.507 2.763 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000791594206 1077496534 /nfs/dbraw/zinc/49/65/34/1077496534.db2.gz ZBXUUFPNPFQJCJ-KRWDZBQOSA-N 1 0 407.942 2.652 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CC(=O)c4ccccc43)cc2)CC1 ZINC000789303035 1077506787 /nfs/dbraw/zinc/50/67/87/1077506787.db2.gz NQSWLVBVNCVWTL-NRFANRHFSA-N 1 0 421.497 2.680 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)nc1C)[NH+]1CCCC1 ZINC000789352139 1077512817 /nfs/dbraw/zinc/51/28/17/1077512817.db2.gz FMOBGFNXKUWQHK-QGZVFWFLSA-N 1 0 416.909 2.944 20 0 HFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3nc(Br)ccc3F)CC2)CC1 ZINC000791653005 1077512996 /nfs/dbraw/zinc/51/29/96/1077512996.db2.gz FOAOIESIPVEXOU-UHFFFAOYSA-N 1 0 413.335 2.614 20 0 HFADRO C[NH+]1CCC(NC(=S)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)CC1 ZINC000789342371 1077528665 /nfs/dbraw/zinc/52/86/65/1077528665.db2.gz LLQWGJNBQZLEEV-UHFFFAOYSA-N 1 0 400.520 2.771 20 0 HFADRO CCOC(=O)CC1([NH2+]CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCCC1 ZINC000789385721 1077532062 /nfs/dbraw/zinc/53/20/62/1077532062.db2.gz BDIHSONCKUXUIZ-UHFFFAOYSA-N 1 0 407.536 2.520 20 0 HFADRO COc1cccc(/C=C(/C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)n2nnnc2C)c1 ZINC000791716386 1077536532 /nfs/dbraw/zinc/53/65/32/1077536532.db2.gz ULWHBZLVSMZGMR-VHFLZWFGSA-N 1 0 420.517 2.796 20 0 HFADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000791717436 1077537356 /nfs/dbraw/zinc/53/73/56/1077537356.db2.gz YUTBZNYNGNGPLH-BPUTZDHNSA-N 1 0 401.429 2.957 20 0 HFADRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000789362669 1077538341 /nfs/dbraw/zinc/53/83/41/1077538341.db2.gz JCXPEQLXPCEBEV-HNNXBMFYSA-N 1 0 410.474 2.764 20 0 HFADRO COc1ccc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc3c(c2)CCCC3)cn1 ZINC000789402171 1077559672 /nfs/dbraw/zinc/55/96/72/1077559672.db2.gz IECDVJSEAQZBKM-UHFFFAOYSA-O 1 0 423.522 2.708 20 0 HFADRO CCc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@@H]2CCOc3ccccc32)cc1 ZINC000789402269 1077561161 /nfs/dbraw/zinc/56/11/61/1077561161.db2.gz JNZFEEOHMWMPBC-QGZVFWFLSA-O 1 0 422.534 2.990 20 0 HFADRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)NC2(C)CC2)cc1 ZINC000789410153 1077564208 /nfs/dbraw/zinc/56/42/08/1077564208.db2.gz CZBQZWOPRVCBON-UHFFFAOYSA-O 1 0 412.535 2.644 20 0 HFADRO Cc1ccc2c(NCCN3CCN(S(=O)(=O)c4ccccc4)CC3)cc[nH+]c2c1 ZINC001170107752 1077573420 /nfs/dbraw/zinc/57/34/20/1077573420.db2.gz GXTNTTHKMZDSHS-UHFFFAOYSA-N 1 0 410.543 2.962 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 ZINC000746814412 1077575210 /nfs/dbraw/zinc/57/52/10/1077575210.db2.gz RVTOTISLPFIFIL-SFHVURJKSA-N 1 0 422.545 2.568 20 0 HFADRO COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000791827135 1077575544 /nfs/dbraw/zinc/57/55/44/1077575544.db2.gz XGJCOBMPNLAYPH-IBGZPJMESA-N 1 0 413.518 2.687 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC1 ZINC000791827436 1077575615 /nfs/dbraw/zinc/57/56/15/1077575615.db2.gz ZGKPVRBYPGEGQS-UHFFFAOYSA-N 1 0 422.547 2.550 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1C ZINC000746814472 1077575791 /nfs/dbraw/zinc/57/57/91/1077575791.db2.gz USIRCRHJYRCWBX-LJQANCHMSA-N 1 0 416.909 2.964 20 0 HFADRO CC(C)[C@H](C(=O)OCCCN1CC[NH+](C(C)C)CC1)S(=O)(=O)C1CCCCC1 ZINC000791841535 1077581048 /nfs/dbraw/zinc/58/10/48/1077581048.db2.gz GBDWHAPKDTZPAM-HXUWFJFHSA-N 1 0 416.628 2.718 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)C1 ZINC000746815806 1077583779 /nfs/dbraw/zinc/58/37/79/1077583779.db2.gz NLOQOSQZVBSOEM-MJGOQNOKSA-N 1 0 407.942 2.713 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000791894545 1077589413 /nfs/dbraw/zinc/58/94/13/1077589413.db2.gz HGRIAJRRLRCKSP-KRWDZBQOSA-N 1 0 407.559 2.566 20 0 HFADRO CC(C)(CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)C[NH+]1CCCC1 ZINC000791894810 1077589686 /nfs/dbraw/zinc/58/96/86/1077589686.db2.gz FAZULRDHMFHPGI-AYHJJNSGSA-N 1 0 421.582 2.687 20 0 HFADRO COc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)nc1I ZINC000791897947 1077589955 /nfs/dbraw/zinc/58/99/55/1077589955.db2.gz QJCJCYYKZBXPQC-UHFFFAOYSA-N 1 0 417.291 2.547 20 0 HFADRO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789520777 1077615521 /nfs/dbraw/zinc/61/55/21/1077615521.db2.gz IHGDDNYXFHUUJB-OAQYLSRUSA-N 1 0 405.498 2.796 20 0 HFADRO Cc1ccc2c(c1)C(=O)N(CC(=O)N1c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]31)C2=O ZINC000791975237 1077617232 /nfs/dbraw/zinc/61/72/32/1077617232.db2.gz RHINAAAVARDZHH-FPOVZHCZSA-N 1 0 403.482 2.734 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCn1cnc2ccccc2c1=O ZINC000791979910 1077621268 /nfs/dbraw/zinc/62/12/68/1077621268.db2.gz FWJIZXVHTFIMJG-UGKGYDQZSA-N 1 0 402.498 2.930 20 0 HFADRO CC(C)C(=O)N(C)Cc1ccc(C(=O)OCCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000791951570 1077627324 /nfs/dbraw/zinc/62/73/24/1077627324.db2.gz DINCQAUHCSCBRK-UHFFFAOYSA-N 1 0 403.567 2.874 20 0 HFADRO C[C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)NC(=O)OC(C)(C)C ZINC000792030710 1077657970 /nfs/dbraw/zinc/65/79/70/1077657970.db2.gz NLDWKCVLEMMETH-HNNXBMFYSA-N 1 0 400.589 2.560 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCCC[NH+]3CCC(C)CC3)C2)c1 ZINC000792057136 1077664151 /nfs/dbraw/zinc/66/41/51/1077664151.db2.gz MPRMKAKIVOYCAN-OAQYLSRUSA-N 1 0 403.523 2.825 20 0 HFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000792057178 1077664218 /nfs/dbraw/zinc/66/42/18/1077664218.db2.gz IKBAAYGEIACCEW-HSZRJFAPSA-N 1 0 422.529 2.964 20 0 HFADRO Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000789558169 1077675623 /nfs/dbraw/zinc/67/56/23/1077675623.db2.gz KRRNPLNZROTALG-UHFFFAOYSA-N 1 0 419.529 2.752 20 0 HFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(Oc3cccc(Br)c3)cc2)C1 ZINC000789562513 1077682527 /nfs/dbraw/zinc/68/25/27/1077682527.db2.gz YDEIMRLXLWTKCI-INIZCTEOSA-N 1 0 404.264 2.961 20 0 HFADRO C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)OCCC[NH+](C)C)C[C@@H](C)O1 ZINC000792034982 1077687165 /nfs/dbraw/zinc/68/71/65/1077687165.db2.gz DKARVUYQQJCVCQ-HZPDHXFCSA-N 1 0 418.563 2.830 20 0 HFADRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN[C@H](c2cnn(C)c2)C1 ZINC001170113059 1077687844 /nfs/dbraw/zinc/68/78/44/1077687844.db2.gz WBQJSSBQFVOLCU-MZYLBHOOSA-N 1 0 409.578 2.687 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)Cc2sc(N)nc2-c2ccccc2)CC1 ZINC000792101940 1077697371 /nfs/dbraw/zinc/69/73/71/1077697371.db2.gz DNIAUCLVOVEWNU-UHFFFAOYSA-N 1 0 402.564 2.894 20 0 HFADRO C[NH+](C)CCOc1cccc(NC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000792115612 1077702476 /nfs/dbraw/zinc/70/24/76/1077702476.db2.gz PZOVLKCRLGGDCD-UHFFFAOYSA-N 1 0 420.554 2.508 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)c1 ZINC000792085187 1077709182 /nfs/dbraw/zinc/70/91/82/1077709182.db2.gz PHYRLFCYEZVQHI-NRFANRHFSA-N 1 0 401.507 2.674 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000792087480 1077710092 /nfs/dbraw/zinc/71/00/92/1077710092.db2.gz CUBVTUVMLAMYNM-IBGZPJMESA-N 1 0 423.598 2.983 20 0 HFADRO C[C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)NC(=O)OC(C)(C)C ZINC000792087089 1077710604 /nfs/dbraw/zinc/71/06/04/1077710604.db2.gz YFUIGNAXWLDHEA-INIZCTEOSA-N 1 0 414.616 2.951 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000746843314 1077717559 /nfs/dbraw/zinc/71/75/59/1077717559.db2.gz XULMPKWGGVVNRR-KDURUIRLSA-N 1 0 422.614 2.841 20 0 HFADRO C[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)CNC(=O)OC(C)(C)C ZINC000792142755 1077721101 /nfs/dbraw/zinc/72/11/01/1077721101.db2.gz KTSFWDSHPSGGHE-PKOBYXMFSA-N 1 0 404.555 2.969 20 0 HFADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000792144479 1077721732 /nfs/dbraw/zinc/72/17/32/1077721732.db2.gz XNHJSTBECMIHIN-SFHVURJKSA-N 1 0 406.527 2.540 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000792161436 1077727357 /nfs/dbraw/zinc/72/73/57/1077727357.db2.gz SVBFMKHZHBKHBU-XMSQKQJNSA-N 1 0 409.571 2.593 20 0 HFADRO CC(C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000789692571 1077730805 /nfs/dbraw/zinc/73/08/05/1077730805.db2.gz AHSGZHTVBBSNHD-AQNXPRMDSA-N 1 0 421.969 2.913 20 0 HFADRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@H](C)[NH2+]C1(C(N)=O)CC1 ZINC000792173415 1077734185 /nfs/dbraw/zinc/73/41/85/1077734185.db2.gz HHDLURMRAPTBFR-ZDUSSCGKSA-N 1 0 415.515 2.916 20 0 HFADRO COC(=O)N1CCC([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792177127 1077736051 /nfs/dbraw/zinc/73/60/51/1077736051.db2.gz BHFAVYHPTJMNFT-HKUYNNGSSA-N 1 0 402.539 2.675 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000746848658 1077736631 /nfs/dbraw/zinc/73/66/31/1077736631.db2.gz RGUIXWRTDJSONQ-BZUAXINKSA-N 1 0 411.543 2.553 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)C1 ZINC000746848670 1077736956 /nfs/dbraw/zinc/73/69/56/1077736956.db2.gz RGUIXWRTDJSONQ-OWCLPIDISA-N 1 0 411.543 2.553 20 0 HFADRO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792181447 1077736979 /nfs/dbraw/zinc/73/69/79/1077736979.db2.gz ZVMURGPVUWRBOQ-IHPCNDPISA-N 1 0 402.539 2.675 20 0 HFADRO C[NH+](C)CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 ZINC000792203214 1077744787 /nfs/dbraw/zinc/74/47/87/1077744787.db2.gz OMUOAERBQWXQFK-UHFFFAOYSA-N 1 0 400.884 2.520 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000792222675 1077748496 /nfs/dbraw/zinc/74/84/96/1077748496.db2.gz IWRSOFXQTRFBTE-XAEMIUIASA-N 1 0 423.513 2.976 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000792222672 1077748564 /nfs/dbraw/zinc/74/85/64/1077748564.db2.gz IWRSOFXQTRFBTE-CEXJFXJFSA-N 1 0 423.513 2.976 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCN(c2ncccc2F)CC1 ZINC000792229804 1077753285 /nfs/dbraw/zinc/75/32/85/1077753285.db2.gz KVGBKBUSGXPVLN-HXUWFJFHSA-N 1 0 411.525 2.965 20 0 HFADRO COc1cc(OC)cc([C@@H](O)CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000792228140 1077753417 /nfs/dbraw/zinc/75/34/17/1077753417.db2.gz SJDDDNCPMXATDP-AVRDEDQJSA-N 1 0 413.518 2.559 20 0 HFADRO CC1(C)CN=C(N2CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)S1 ZINC000792229737 1077753725 /nfs/dbraw/zinc/75/37/25/1077753725.db2.gz FWXRUIHEHTXNPM-LJQANCHMSA-N 1 0 415.607 2.717 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3cccc(C[NH+]4CCC(O)CC4)c3)C2)c1 ZINC000792213218 1077767809 /nfs/dbraw/zinc/76/78/09/1077767809.db2.gz YVVFUOXGXKLJER-JOCHJYFZSA-N 1 0 409.486 2.784 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000792250643 1077771465 /nfs/dbraw/zinc/77/14/65/1077771465.db2.gz KQCPCPJWDSLQLC-IEBWSBKVSA-N 1 0 419.570 2.991 20 0 HFADRO COc1cccc([C@@H](O)CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792279252 1077772921 /nfs/dbraw/zinc/77/29/21/1077772921.db2.gz UCWDHTGCVJNFME-HTWSVDAQSA-N 1 0 415.456 2.833 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2CC(c3cccc(OC)c3)=NO2)CC1 ZINC000792290400 1077777472 /nfs/dbraw/zinc/77/74/72/1077777472.db2.gz MSDRAMFJQPYKNV-JOCHJYFZSA-N 1 0 417.550 2.785 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)CC3(CS(C)(=O)=O)CC3)cc2)CC1 ZINC000746855393 1077780733 /nfs/dbraw/zinc/78/07/33/1077780733.db2.gz NRHQDJGHZGTXAX-UHFFFAOYSA-N 1 0 407.580 2.618 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000789750583 1077782106 /nfs/dbraw/zinc/78/21/06/1077782106.db2.gz LKSUVOQCOWKJTG-KRWDZBQOSA-N 1 0 412.446 2.827 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCC[C@H](C2OCCO2)C1 ZINC000792273883 1077788827 /nfs/dbraw/zinc/78/88/27/1077788827.db2.gz AWKZFSIKFNSFLK-JEYLPNPQSA-N 1 0 405.461 2.586 20 0 HFADRO CCOC(=O)N1CCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000792274568 1077790001 /nfs/dbraw/zinc/79/00/01/1077790001.db2.gz FGCRZHGBGOXDKR-UHFFFAOYSA-N 1 0 420.476 2.666 20 0 HFADRO O=C(NC[C@H](O)c1ccc(F)cc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792276532 1077791327 /nfs/dbraw/zinc/79/13/27/1077791327.db2.gz WACUVJWYYHZALR-JCYILVPMSA-N 1 0 403.420 2.964 20 0 HFADRO CSC1(CNC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CCC1 ZINC000789785144 1077793666 /nfs/dbraw/zinc/79/36/66/1077793666.db2.gz WPMLGFJXJNQCMS-UHFFFAOYSA-N 1 0 404.580 2.557 20 0 HFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000792305933 1077797708 /nfs/dbraw/zinc/79/77/08/1077797708.db2.gz MIKBNYITYTUNSF-CHWSQXEVSA-N 1 0 401.374 2.536 20 0 HFADRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC001170120230 1077800148 /nfs/dbraw/zinc/80/01/48/1077800148.db2.gz ZMHKZKKDGKNKLQ-MSOLQXFVSA-N 1 0 413.609 2.919 20 0 HFADRO CC(C)Cc1ncc(NC(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cn1 ZINC000792368246 1077818479 /nfs/dbraw/zinc/81/84/79/1077818479.db2.gz RZNOTAYKBKANPG-UHFFFAOYSA-N 1 0 424.549 2.783 20 0 HFADRO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cn1 ZINC000792375482 1077821193 /nfs/dbraw/zinc/82/11/93/1077821193.db2.gz HJWKPNIOTASOQH-QFIPXVFZSA-N 1 0 417.513 2.955 20 0 HFADRO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)c2ccccc2O1 ZINC000789815107 1077823575 /nfs/dbraw/zinc/82/35/75/1077823575.db2.gz WHIBIXXLEMQEKT-HOTGVXAUSA-N 1 0 401.507 2.599 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCN(C3CCOCC3)C1=O)CC2 ZINC000792334354 1077824168 /nfs/dbraw/zinc/82/41/68/1077824168.db2.gz XEEHBZPZOBBKLN-LJQANCHMSA-N 1 0 421.582 2.879 20 0 HFADRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789883568 1077834813 /nfs/dbraw/zinc/83/48/13/1077834813.db2.gz AFXJKRIWKZIRHT-YADHBBJMSA-N 1 0 406.530 2.553 20 0 HFADRO CCC[C@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)[C@@H](O)c1ccccc1 ZINC000792405353 1077838986 /nfs/dbraw/zinc/83/89/86/1077838986.db2.gz BGDKTGKMVPRSJU-RXVVDRJESA-N 1 0 413.518 2.714 20 0 HFADRO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)C2(CO)CCOCC2)c1 ZINC000792408730 1077840871 /nfs/dbraw/zinc/84/08/71/1077840871.db2.gz IVSTXKBKPJXGCV-UHFFFAOYSA-N 1 0 411.502 2.659 20 0 HFADRO C[C@@H](OC(=O)c1nc2cccnc2s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792382075 1077845841 /nfs/dbraw/zinc/84/58/41/1077845841.db2.gz QLIPLTGPYICHJM-GDBMZVCRSA-N 1 0 410.499 2.627 20 0 HFADRO CC[C@@]1([NH2+]CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CCOC1 ZINC000792417777 1077849215 /nfs/dbraw/zinc/84/92/15/1077849215.db2.gz JSNOHILSVKCSRR-JOCHJYFZSA-N 1 0 411.458 2.765 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cc(OCc2ccccc2)ncn1 ZINC001170166546 1077851196 /nfs/dbraw/zinc/85/11/96/1077851196.db2.gz OIPPDVSQQXUHKF-UHFFFAOYSA-N 1 0 404.474 2.924 20 0 HFADRO COC(=O)c1cc2c(cncc2N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)s1 ZINC001170166695 1077853326 /nfs/dbraw/zinc/85/33/26/1077853326.db2.gz MAMWABBIXGPWEZ-UHFFFAOYSA-N 1 0 411.487 2.951 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)=NO1 ZINC000789954677 1077866886 /nfs/dbraw/zinc/86/68/86/1077866886.db2.gz MZMRNKUMHKRHOU-HKUYNNGSSA-N 1 0 416.522 2.609 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792497191 1077867297 /nfs/dbraw/zinc/86/72/97/1077867297.db2.gz ZRRGGCDSPUJIDG-PMACEKPBSA-N 1 0 417.550 2.651 20 0 HFADRO COc1cc(-c2nnc(SCC[C@H]3CCCC[N@@H+]3C)n2N)cc(OC)c1OC ZINC000789956024 1077867899 /nfs/dbraw/zinc/86/78/99/1077867899.db2.gz RRLFTCVRWJNXGM-CQSZACIVSA-N 1 0 407.540 2.651 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)=NO1 ZINC000789963018 1077872579 /nfs/dbraw/zinc/87/25/79/1077872579.db2.gz FIHGSIAMNXUNCQ-GOSISDBHSA-N 1 0 416.522 2.933 20 0 HFADRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000789966536 1077874006 /nfs/dbraw/zinc/87/40/06/1077874006.db2.gz HRWDYGWVMIDMIS-OYRHEFFESA-N 1 0 424.545 2.911 20 0 HFADRO CCOC(=O)c1cc2c(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)cc[nH]c-2n1 ZINC001170167295 1077877866 /nfs/dbraw/zinc/87/78/66/1077877866.db2.gz ZUIIASKAJMJOKU-UHFFFAOYSA-N 1 0 408.462 2.608 20 0 HFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000789974958 1077878628 /nfs/dbraw/zinc/87/86/28/1077878628.db2.gz LNOAQHIYUBALPA-WBVHZDCISA-N 1 0 418.538 2.902 20 0 HFADRO Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000792521619 1077886059 /nfs/dbraw/zinc/88/60/59/1077886059.db2.gz GVWMFPSGPARKLI-SFHVURJKSA-N 1 0 404.555 2.537 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1ccc(I)cc1 ZINC000792549870 1077899757 /nfs/dbraw/zinc/89/97/57/1077899757.db2.gz OHIMKYIHCWMCGT-UHFFFAOYSA-N 1 0 421.194 2.734 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792555421 1077902158 /nfs/dbraw/zinc/90/21/58/1077902158.db2.gz NYIAHYLIFOPORF-UHFFFAOYSA-N 1 0 405.461 2.775 20 0 HFADRO O=C(CC1OCCCO1)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000789974114 1077902942 /nfs/dbraw/zinc/90/29/42/1077902942.db2.gz OAICNZUGDTTXIM-UHFFFAOYSA-N 1 0 410.518 2.538 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001170182932 1077903167 /nfs/dbraw/zinc/90/31/67/1077903167.db2.gz BCNWACHRVWBWRI-QHCPKHFHSA-N 1 0 410.537 2.681 20 0 HFADRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790038492 1077907305 /nfs/dbraw/zinc/90/73/05/1077907305.db2.gz IXRIXASRVFQFBU-WBVHZDCISA-N 1 0 411.568 2.672 20 0 HFADRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2cc[nH+]c(N3CCOCC3)c2)OC(C)(C)O1 ZINC001170209625 1077907964 /nfs/dbraw/zinc/90/79/64/1077907964.db2.gz DTKRFOWHGHDSCC-MSOLQXFVSA-N 1 0 421.538 2.972 20 0 HFADRO CC[C@H]1C[C@H]([NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)CCO1 ZINC001170213160 1077908368 /nfs/dbraw/zinc/90/83/68/1077908368.db2.gz HHBZYVGBKBZINT-MSOLQXFVSA-N 1 0 408.564 2.739 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc2ccccc2c1C=O ZINC000790008542 1077910688 /nfs/dbraw/zinc/91/06/88/1077910688.db2.gz SFVYNQAMZUHCEU-UHFFFAOYSA-N 1 0 401.488 2.795 20 0 HFADRO [NH3+][C@@H](Cc1ccc(I)cc1)C(=O)N1CCCC(F)(F)CC1 ZINC001157708513 1077914327 /nfs/dbraw/zinc/91/43/27/1077914327.db2.gz SXLMSNJGBWFDLB-ZDUSSCGKSA-N 1 0 408.230 2.809 20 0 HFADRO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792578256 1077915102 /nfs/dbraw/zinc/91/51/02/1077915102.db2.gz LSPSZXVZHHRHLE-OTWHNJEPSA-N 1 0 417.575 2.887 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000790018481 1077915230 /nfs/dbraw/zinc/91/52/30/1077915230.db2.gz JBDPHOSCMRUEIE-UHFFFAOYSA-N 1 0 411.568 2.519 20 0 HFADRO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2ncc(F)cn2)cc1 ZINC001170268056 1077922936 /nfs/dbraw/zinc/92/29/36/1077922936.db2.gz LFKYNTRQLLQJLK-UHFFFAOYSA-N 1 0 417.441 2.895 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nc(Cl)nc3ncn(Cc4ccccc4)c32)O1 ZINC001170270613 1077924135 /nfs/dbraw/zinc/92/41/35/1077924135.db2.gz LMFPEFRPYLMUBI-CLCXKQKWSA-N 1 0 416.913 2.665 20 0 HFADRO COC(=O)C1=NOC2(C1)CC[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000790079867 1077924594 /nfs/dbraw/zinc/92/45/94/1077924594.db2.gz GPXVUSVKMYMLKP-UHFFFAOYSA-N 1 0 409.527 2.808 20 0 HFADRO Cc1cc(=O)[nH]c(C(C)(C)NCC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC001170274711 1077926123 /nfs/dbraw/zinc/92/61/23/1077926123.db2.gz YLPZDTGHGHOOFN-IYBDPMFKSA-N 1 0 413.522 2.568 20 0 HFADRO Cc1cc(=O)[nH]c(C(C)(C)NCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC001170274710 1077926204 /nfs/dbraw/zinc/92/62/04/1077926204.db2.gz YLPZDTGHGHOOFN-HZPDHXFCSA-N 1 0 413.522 2.568 20 0 HFADRO COC(=O)c1nc(Cl)c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])c(Cl)c1Cl ZINC001170274095 1077926230 /nfs/dbraw/zinc/92/62/30/1077926230.db2.gz VXWGVQISXWKNCO-PISXGGPESA-N 1 0 412.701 2.965 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[NH+]1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001170275505 1077926414 /nfs/dbraw/zinc/92/64/14/1077926414.db2.gz WSDOBYLTSXPTIM-GOSISDBHSA-N 1 0 407.986 2.774 20 0 HFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052728 1077931821 /nfs/dbraw/zinc/93/18/21/1077931821.db2.gz KKENLIXHWDIXSK-OAQYLSRUSA-N 1 0 414.594 2.668 20 0 HFADRO C[C@H](CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)[NH+]1CCC(C)CC1 ZINC000790053298 1077932808 /nfs/dbraw/zinc/93/28/08/1077932808.db2.gz MRADXIBOVBNEMO-HXUWFJFHSA-N 1 0 414.594 2.572 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cnc(F)cc2C(=O)OCc2ccccc2)O1 ZINC001170280372 1077936119 /nfs/dbraw/zinc/93/61/19/1077936119.db2.gz ZNPNYGOLULXNQJ-DBXWQHBBSA-N 1 0 403.454 2.714 20 0 HFADRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC001170280856 1077936496 /nfs/dbraw/zinc/93/64/96/1077936496.db2.gz UFKOCDWFZPWJBT-CVEARBPZSA-N 1 0 402.413 2.913 20 0 HFADRO O=C(N1C[C@H]2CC[N@H+](CCCN3CCN(c4ccccc4)CC3)C[C@@H]2C1)C(F)(F)F ZINC001170280615 1077936516 /nfs/dbraw/zinc/93/65/16/1077936516.db2.gz MKVGLGFQHGXGJE-RTBURBONSA-N 1 0 424.511 2.541 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001170280954 1077936617 /nfs/dbraw/zinc/93/66/17/1077936617.db2.gz CBTGOWOZPJOLJA-INIZCTEOSA-N 1 0 401.938 2.622 20 0 HFADRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc3[nH]c4c(c3c2)CC(=O)Nc2cccnc2-4)O1 ZINC001170284658 1077937567 /nfs/dbraw/zinc/93/75/67/1077937567.db2.gz SNBZPNUUCKGYMF-DNVFCKCGSA-N 1 0 421.501 2.861 20 0 HFADRO C[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790113622 1077941824 /nfs/dbraw/zinc/94/18/24/1077941824.db2.gz LYPQBBORPRPPOG-CXAGYDPISA-N 1 0 403.918 2.859 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC001170321136 1077942545 /nfs/dbraw/zinc/94/25/45/1077942545.db2.gz QKTROQFQBAHHEC-GOSISDBHSA-N 1 0 422.451 2.970 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC001170364716 1077950790 /nfs/dbraw/zinc/95/07/90/1077950790.db2.gz HOEYRUASGAYEAO-NJYVYQBISA-N 1 0 404.551 2.984 20 0 HFADRO O=C(C[C@H](O)c1ccc(Cl)cc1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000772813189 1077955846 /nfs/dbraw/zinc/95/58/46/1077955846.db2.gz OGOKGSOSZVIHIY-TYPHKJRUSA-N 1 0 402.922 2.763 20 0 HFADRO CC1(C)[C@H]([NH2+]CC(=O)NCCOc2cccc(C(F)(F)F)c2)[C@@H]2CCCO[C@@H]21 ZINC001170385229 1077956817 /nfs/dbraw/zinc/95/68/17/1077956817.db2.gz GQJUFCAOADTECB-JQHSSLGASA-N 1 0 400.441 2.994 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc(OC(F)(F)F)c1 ZINC000790183117 1077973243 /nfs/dbraw/zinc/97/32/43/1077973243.db2.gz FDXAOBBTFYPXMC-UONOGXRCSA-N 1 0 401.429 2.611 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)cccc21 ZINC000790236671 1077973673 /nfs/dbraw/zinc/97/36/73/1077973673.db2.gz LLLPPNYDVNWYON-MRXNPFEDSA-N 1 0 419.503 2.702 20 0 HFADRO O=C(NC1CC[NH+](C2CC2)CC1)c1nc(Br)ccc1Br ZINC000790247907 1077976229 /nfs/dbraw/zinc/97/62/29/1077976229.db2.gz WMXDCXGHXSHFBT-UHFFFAOYSA-N 1 0 403.118 2.963 20 0 HFADRO C[C@H](CNC(=O)N(CCO)Cc1ccc(Br)s1)[NH+]1CCCCC1 ZINC000790235768 1077982516 /nfs/dbraw/zinc/98/25/16/1077982516.db2.gz ARWYJNHILBVCRW-CYBMUJFWSA-N 1 0 404.374 2.889 20 0 HFADRO O=S(=O)(C[C@@H]1CCCOC1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765542 1077988229 /nfs/dbraw/zinc/98/82/29/1077988229.db2.gz QBDFFIWUECBFCQ-NVXWUHKLSA-N 1 0 406.470 2.626 20 0 HFADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1nc(Br)ccc1Br ZINC000790318984 1077995739 /nfs/dbraw/zinc/99/57/39/1077995739.db2.gz OIEROZCTIXKPLS-WDEREUQCSA-N 1 0 403.118 2.963 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)NC2CCN(C(=O)OC(C)C)CC2)c1 ZINC000790354919 1078002499 /nfs/dbraw/zinc/00/24/99/1078002499.db2.gz VDAUQDIPVKQZDS-UHFFFAOYSA-N 1 0 420.554 2.778 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792863919 1078011085 /nfs/dbraw/zinc/01/10/85/1078011085.db2.gz VVFTXGADTQURSW-NZQKXSOJSA-N 1 0 417.550 2.508 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1)OCc1ccccc1 ZINC000792871997 1078012181 /nfs/dbraw/zinc/01/21/81/1078012181.db2.gz MEQHWJXWVHRWAR-PCCBWWKXSA-N 1 0 414.550 2.961 20 0 HFADRO CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790387554 1078012113 /nfs/dbraw/zinc/01/21/13/1078012113.db2.gz QRAIULQXXFLNET-AVRDEDQJSA-N 1 0 422.570 2.582 20 0 HFADRO C[C@H]1C[N@H+](Cn2ccc(=O)c3cccc(Br)c32)CC2(CCOCC2)O1 ZINC000790391967 1078013190 /nfs/dbraw/zinc/01/31/90/1078013190.db2.gz HAOSSMDVXBUNOL-AWEZNQCLSA-N 1 0 407.308 2.991 20 0 HFADRO COc1ccc(CN(C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1OC(F)F ZINC000790372128 1078016838 /nfs/dbraw/zinc/01/68/38/1078016838.db2.gz YFUMBXHARLNLKS-HXUWFJFHSA-N 1 0 411.449 2.603 20 0 HFADRO C[C@@]1(NC(=O)NC2CC[NH+](CC3CC3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792887947 1078017379 /nfs/dbraw/zinc/01/73/79/1078017379.db2.gz TVHUZCCAZRGKKQ-HSZRJFAPSA-N 1 0 414.550 2.961 20 0 HFADRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792908541 1078020840 /nfs/dbraw/zinc/02/08/40/1078020840.db2.gz PIDBUKISVJPYBP-DENIHFKCSA-N 1 0 402.539 2.819 20 0 HFADRO CN1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H]1Cc1ccccc1 ZINC000792939622 1078021832 /nfs/dbraw/zinc/02/18/32/1078021832.db2.gz HNDORAJBDZUTNG-NRFANRHFSA-N 1 0 420.557 2.766 20 0 HFADRO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000792943766 1078023046 /nfs/dbraw/zinc/02/30/46/1078023046.db2.gz UEPDLVSBKKALSL-YKSBVNFPSA-N 1 0 422.573 2.709 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001170422629 1078023688 /nfs/dbraw/zinc/02/36/88/1078023688.db2.gz XMEZSWAMDWUIJO-KRWDZBQOSA-N 1 0 417.531 2.574 20 0 HFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(Br)n3)C2)CC1 ZINC000792973033 1078030349 /nfs/dbraw/zinc/03/03/49/1078030349.db2.gz GJHFOZQYUZXODU-HNNXBMFYSA-N 1 0 423.355 2.753 20 0 HFADRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792980236 1078031889 /nfs/dbraw/zinc/03/18/89/1078031889.db2.gz MJSNGOMCQIBWQP-OAHLLOKOSA-N 1 0 423.355 2.944 20 0 HFADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)Nc1cccc(Br)n1 ZINC000792951164 1078033688 /nfs/dbraw/zinc/03/36/88/1078033688.db2.gz BEMNMSLDTXMFDP-UHFFFAOYSA-N 1 0 417.307 2.695 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000790452221 1078035806 /nfs/dbraw/zinc/03/58/06/1078035806.db2.gz XBOCBXDDSBQEKA-AWEZNQCLSA-N 1 0 407.458 2.586 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000792962260 1078036700 /nfs/dbraw/zinc/03/67/00/1078036700.db2.gz IPEQBJAFJMGKNC-SFHVURJKSA-N 1 0 409.502 2.752 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC3CCCCC3)CC2)nc1Br ZINC000792968472 1078038352 /nfs/dbraw/zinc/03/83/52/1078038352.db2.gz KWCGIQIESSNZCP-UHFFFAOYSA-N 1 0 423.355 2.816 20 0 HFADRO O=S(=O)(N1CCC(C[NH2+]Cc2ccnn2-c2ccccc2)CC1)C(F)(F)F ZINC000790469864 1078038443 /nfs/dbraw/zinc/03/84/43/1078038443.db2.gz CIXXDBPBDZXFHH-UHFFFAOYSA-N 1 0 402.442 2.524 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)nc1Br ZINC000792968201 1078038420 /nfs/dbraw/zinc/03/84/20/1078038420.db2.gz HCDLXJDUEACLKE-LBPRGKRZSA-N 1 0 411.344 2.718 20 0 HFADRO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000790475832 1078039925 /nfs/dbraw/zinc/03/99/25/1078039925.db2.gz UZIHZVFGTQKORN-UHFFFAOYSA-N 1 0 415.437 2.980 20 0 HFADRO COCCN1CC2(CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)COc2ccccc2S1(=O)=O ZINC001170137205 1078041503 /nfs/dbraw/zinc/04/15/03/1078041503.db2.gz NCYKMEQQLBDQLY-MOPGFXCFSA-N 1 0 422.591 2.987 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)nc1Br ZINC000792989785 1078042444 /nfs/dbraw/zinc/04/24/44/1078042444.db2.gz XYPYFRQLEFZENW-UHFFFAOYSA-N 1 0 423.355 2.814 20 0 HFADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000806254053 1079522184 /nfs/dbraw/zinc/52/21/84/1079522184.db2.gz YLSTUEXFDXOKIQ-SFTDATJTSA-N 1 0 401.551 2.651 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000806254936 1079523395 /nfs/dbraw/zinc/52/33/95/1079523395.db2.gz XLMRPRIHAZBRGW-NJYVYQBISA-N 1 0 419.541 2.621 20 0 HFADRO CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170504638 1079533957 /nfs/dbraw/zinc/53/39/57/1079533957.db2.gz GQFHVQIBHCUTQM-ZACQAIPSSA-N 1 0 414.543 2.696 20 0 HFADRO COCC[S@](=O)Cc1cccc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000806274868 1079536673 /nfs/dbraw/zinc/53/66/73/1079536673.db2.gz OTLFGEOFMNSXTA-LJAQVGFWSA-N 1 0 415.559 2.930 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)n1 ZINC000806307539 1079560070 /nfs/dbraw/zinc/56/00/70/1079560070.db2.gz QWGRFVFKZGACDA-SFHVURJKSA-N 1 0 420.558 2.890 20 0 HFADRO CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000806310809 1079564647 /nfs/dbraw/zinc/56/46/47/1079564647.db2.gz JBOPXFHQZJXIIF-UYAOXDASSA-N 1 0 418.538 2.752 20 0 HFADRO COc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1I ZINC001130589717 1079569865 /nfs/dbraw/zinc/56/98/65/1079569865.db2.gz PTRPWRYDNNHIGJ-IJLUTSLNSA-N 1 0 402.276 2.853 20 0 HFADRO O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806288362 1079574210 /nfs/dbraw/zinc/57/42/10/1079574210.db2.gz VFTWAKICJLBGAI-SAZYNNDCSA-N 1 0 413.562 2.794 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000806290926 1079576054 /nfs/dbraw/zinc/57/60/54/1079576054.db2.gz XUGIRPIMYGKDMX-GOTSBHOMSA-N 1 0 423.557 2.513 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)CCC2 ZINC000806295985 1079583304 /nfs/dbraw/zinc/58/33/04/1079583304.db2.gz VMYRHSWVNAOYPX-MOPGFXCFSA-N 1 0 415.513 2.516 20 0 HFADRO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000806320252 1079590933 /nfs/dbraw/zinc/59/09/33/1079590933.db2.gz ZIWHBWCNEJZMKK-LJQANCHMSA-N 1 0 420.558 2.700 20 0 HFADRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747324657 1079592493 /nfs/dbraw/zinc/59/24/93/1079592493.db2.gz CTNUNOQEFICEAY-OALUTQOASA-N 1 0 402.926 2.664 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000747325889 1079594530 /nfs/dbraw/zinc/59/45/30/1079594530.db2.gz QXULJQJGFYFOTG-VQTJNVASSA-N 1 0 403.486 2.527 20 0 HFADRO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000747325398 1079600736 /nfs/dbraw/zinc/60/07/36/1079600736.db2.gz IRELCGOMKNDRIR-MSOLQXFVSA-N 1 0 405.502 2.537 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)NC)c1cccc(OC)c1 ZINC000806350516 1079623201 /nfs/dbraw/zinc/62/32/01/1079623201.db2.gz MXZPBMQPLVHDCX-ICSRJNTNSA-N 1 0 420.554 2.998 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000806376317 1079626044 /nfs/dbraw/zinc/62/60/44/1079626044.db2.gz NTTPSLSPFWWVCD-IBGZPJMESA-N 1 0 420.554 2.826 20 0 HFADRO CCOC(=O)c1ccc(NCCOCCOCC[NH3+])nc1-c1ccc(F)cc1F ZINC001170507420 1079630070 /nfs/dbraw/zinc/63/00/70/1079630070.db2.gz IKHKGSCRPLOSLE-UHFFFAOYSA-N 1 0 409.433 2.607 20 0 HFADRO Cc1ccc2nc(COc3cccc(C(=O)NC[C@H]4C[N@@H+]5CCC[C@@H]5CO4)c3)cn2c1 ZINC000747326641 1079631233 /nfs/dbraw/zinc/63/12/33/1079631233.db2.gz TYQHMUDCIIJBAG-IRLDBZIGSA-N 1 0 420.513 2.815 20 0 HFADRO C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000806388830 1079639854 /nfs/dbraw/zinc/63/98/54/1079639854.db2.gz JLGLGIBBWVOHBQ-AQNXPRMDSA-N 1 0 421.557 2.723 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000806359517 1079647868 /nfs/dbraw/zinc/64/78/68/1079647868.db2.gz BMQLSZHIMNPYDX-FHWLQOOXSA-N 1 0 412.575 2.576 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)cc1Cl ZINC000806371808 1079659867 /nfs/dbraw/zinc/65/98/67/1079659867.db2.gz NOPGQVUIKAOZKB-UHFFFAOYSA-N 1 0 422.017 2.760 20 0 HFADRO O=C(Nc1ccnn1CC1CC1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000806436119 1079682610 /nfs/dbraw/zinc/68/26/10/1079682610.db2.gz CHYCOZFEPOBJPV-NRFANRHFSA-N 1 0 408.550 2.717 20 0 HFADRO CC(C)C1(O)CN(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000806409359 1079695747 /nfs/dbraw/zinc/69/57/47/1079695747.db2.gz VSZZBSUSYBIUHK-UHFFFAOYSA-N 1 0 422.573 2.921 20 0 HFADRO C[C@@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1cccc(NS(C)(=O)=O)c1 ZINC000806472819 1079703903 /nfs/dbraw/zinc/70/39/03/1079703903.db2.gz MSSZMBCRMDNHIK-MRXNPFEDSA-N 1 0 422.551 2.876 20 0 HFADRO CCOC(=O)N1[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[C@H]1c1ccc(C)o1 ZINC000747331842 1079753760 /nfs/dbraw/zinc/75/37/60/1079753760.db2.gz AZINEODKTNPITJ-RBUKOAKNSA-N 1 0 419.522 2.573 20 0 HFADRO COCN1C(=O)CCc2cc(NC(=O)N3CC([N@H+](C)Cc4ccccc4)C3)ccc21 ZINC000806502979 1079753867 /nfs/dbraw/zinc/75/38/67/1079753867.db2.gz PKUBBQIGMHWPIY-UHFFFAOYSA-N 1 0 408.502 2.918 20 0 HFADRO CCOC(=O)N1[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC[C@H]1c1ccc(C)o1 ZINC000747331840 1079753960 /nfs/dbraw/zinc/75/39/60/1079753960.db2.gz AZINEODKTNPITJ-OALUTQOASA-N 1 0 419.522 2.573 20 0 HFADRO O=C([C@H]1CCCN1C(=O)C(F)(F)F)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000806508491 1079757768 /nfs/dbraw/zinc/75/77/68/1079757768.db2.gz MNEHCLQUHRFKMQ-GOSISDBHSA-N 1 0 409.452 2.589 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000806478042 1079763585 /nfs/dbraw/zinc/76/35/85/1079763585.db2.gz PNNSHTQMLZYZKW-KRWDZBQOSA-N 1 0 406.531 2.672 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000806479975 1079766043 /nfs/dbraw/zinc/76/60/43/1079766043.db2.gz AJIJACPRTHUAKA-UHFFFAOYSA-N 1 0 420.941 2.584 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806603715 1079846257 /nfs/dbraw/zinc/84/62/57/1079846257.db2.gz WDZXUXBADYVCAH-UHFFFAOYSA-N 1 0 402.926 2.504 20 0 HFADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2c(C)[nH]nc2Br)CC1 ZINC001137636341 1079869660 /nfs/dbraw/zinc/86/96/60/1079869660.db2.gz SFRCHIPYFNYVSE-UHFFFAOYSA-N 1 0 401.349 2.691 20 0 HFADRO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747341877 1079875322 /nfs/dbraw/zinc/87/53/22/1079875322.db2.gz INNACQQYFUUEQX-IAGOWNOFSA-N 1 0 406.889 2.625 20 0 HFADRO C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000806658361 1079877057 /nfs/dbraw/zinc/87/70/57/1079877057.db2.gz SAFFAQJSIRSVEK-APWZRJJASA-N 1 0 407.356 2.915 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000747341321 1079878396 /nfs/dbraw/zinc/87/83/96/1079878396.db2.gz FLLXIEAKPZAPQL-PCCBWWKXSA-N 1 0 421.541 2.671 20 0 HFADRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC000806624085 1079881658 /nfs/dbraw/zinc/88/16/58/1079881658.db2.gz CZOHMKVSRZUCEF-GFCCVEGCSA-N 1 0 406.342 2.856 20 0 HFADRO C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1cccc(-n2cccn2)c1 ZINC000806635310 1079891702 /nfs/dbraw/zinc/89/17/02/1079891702.db2.gz QYEPWLPZCWFBOS-SFHVURJKSA-N 1 0 419.529 2.770 20 0 HFADRO COC(=O)N1CCC[C@H](NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000806682141 1079910246 /nfs/dbraw/zinc/91/02/46/1079910246.db2.gz CAZUIUPKSFMKIM-HKUYNNGSSA-N 1 0 406.527 2.607 20 0 HFADRO O=C(Nc1cc(F)c(F)cc1N1CCOCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806714066 1079941166 /nfs/dbraw/zinc/94/11/66/1079941166.db2.gz UUJJPOGCWYTUFT-MRXNPFEDSA-N 1 0 424.492 2.566 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NCc2nnc(-c3ccccc3)[nH]2)c1-c1ccccc1 ZINC000806727912 1079952452 /nfs/dbraw/zinc/95/24/52/1079952452.db2.gz DSOVFAIMGMLYAV-UHFFFAOYSA-N 1 0 415.501 2.827 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729335 1079952931 /nfs/dbraw/zinc/95/29/31/1079952931.db2.gz MHCKTXVUISFBDZ-XMSQKQJNSA-N 1 0 423.557 2.557 20 0 HFADRO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2CCCC23OCCO3)cc1 ZINC000806730124 1079955698 /nfs/dbraw/zinc/95/56/98/1079955698.db2.gz HEQPDPKGOIPIAI-LJQANCHMSA-N 1 0 401.507 2.983 20 0 HFADRO CCOC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)nc1C ZINC001130733423 1079971951 /nfs/dbraw/zinc/97/19/51/1079971951.db2.gz QFBLAZFAWSYDQT-FGZHOGPDSA-N 1 0 423.513 2.682 20 0 HFADRO COC1CC[NH+](C2(CNC(=O)N3CCCC[C@@H]3COC(=O)N(C)C)CCCC2)CC1 ZINC000806758294 1079975927 /nfs/dbraw/zinc/97/59/27/1079975927.db2.gz JYUJUZGDKXRYSG-GOSISDBHSA-N 1 0 424.586 2.672 20 0 HFADRO O=C(Nc1cc(F)c(N2CCOCC2)cc1F)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806742567 1079996464 /nfs/dbraw/zinc/99/64/64/1079996464.db2.gz OCBMZXUOPVBBST-MRXNPFEDSA-N 1 0 424.492 2.566 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC001130731101 1080003173 /nfs/dbraw/zinc/00/31/73/1080003173.db2.gz XVVAROJOSFYKBL-UHFFFAOYSA-N 1 0 404.374 2.677 20 0 HFADRO COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OCCCN3CC[NH+](C)CC3)cc2)C1 ZINC001130742357 1080006149 /nfs/dbraw/zinc/00/61/49/1080006149.db2.gz TULNEVXBVBSCSL-RTBURBONSA-N 1 0 417.550 2.621 20 0 HFADRO C[C@H](CN(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](C)CO)c1ccccc1 ZINC000806814155 1080027383 /nfs/dbraw/zinc/02/73/83/1080027383.db2.gz KRSGPDDGPKZBRE-DXIQSLLYSA-N 1 0 403.567 2.826 20 0 HFADRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 ZINC001130757293 1080042980 /nfs/dbraw/zinc/04/29/80/1080042980.db2.gz AHODWEJCSPOEGM-RNHKPAHNSA-N 1 0 400.500 2.839 20 0 HFADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000806834681 1080047025 /nfs/dbraw/zinc/04/70/25/1080047025.db2.gz FQADHEJMZUPWAQ-RBUKOAKNSA-N 1 0 418.582 2.641 20 0 HFADRO CN1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@H]1Cc1ccccc1 ZINC000806853098 1080058548 /nfs/dbraw/zinc/05/85/48/1080058548.db2.gz QIVCGHODBXWDRC-UXHICEINSA-N 1 0 416.566 2.858 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000806885252 1080082798 /nfs/dbraw/zinc/08/27/98/1080082798.db2.gz DRRQIVPKLAWTTO-GOSISDBHSA-N 1 0 401.551 2.967 20 0 HFADRO O=C(Nc1csc(-c2ccccc2)n1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806918461 1080087855 /nfs/dbraw/zinc/08/78/55/1080087855.db2.gz BECDPVWBMPZQSF-KRWDZBQOSA-N 1 0 414.531 2.508 20 0 HFADRO C[C@@H](C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806923084 1080092531 /nfs/dbraw/zinc/09/25/31/1080092531.db2.gz ARCQXMOMBIXEEA-MRXNPFEDSA-N 1 0 401.551 2.705 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000806904234 1080110251 /nfs/dbraw/zinc/11/02/51/1080110251.db2.gz XNNDMKPSYMPHSD-LJQANCHMSA-N 1 0 412.575 2.575 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)NC[C@H](O)c2c(F)cccc2F)c1-c1ccccc1 ZINC000806908704 1080114465 /nfs/dbraw/zinc/11/44/65/1080114465.db2.gz NWRAJLBSOJSQEM-IBGZPJMESA-N 1 0 414.456 2.853 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000806953776 1080163839 /nfs/dbraw/zinc/16/38/39/1080163839.db2.gz JNHGAPCYADPTEQ-OGWOLHLISA-N 1 0 413.440 2.786 20 0 HFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001130806730 1080175387 /nfs/dbraw/zinc/17/53/87/1080175387.db2.gz MSVCLZUZIJUFED-UHFFFAOYSA-N 1 0 400.957 2.617 20 0 HFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000807003231 1080181801 /nfs/dbraw/zinc/18/18/01/1080181801.db2.gz ZAAVCVZVDWDFSE-NXOAAHMSSA-N 1 0 420.520 2.841 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000807007729 1080206315 /nfs/dbraw/zinc/20/63/15/1080206315.db2.gz MRMKGFPJRGXRAF-APWZRJJASA-N 1 0 403.527 2.527 20 0 HFADRO CN(C(=O)C(=O)Nc1cccc(C(C)(C)O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000807007568 1080206815 /nfs/dbraw/zinc/20/68/15/1080206815.db2.gz KJCXMDUPHRPZIR-UHFFFAOYSA-N 1 0 409.530 2.976 20 0 HFADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000807037832 1080227371 /nfs/dbraw/zinc/22/73/71/1080227371.db2.gz DDFZWQSZDYGGRL-NRFANRHFSA-N 1 0 412.534 2.934 20 0 HFADRO CSCC[C@@H](C)NC(=O)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000807054574 1080237795 /nfs/dbraw/zinc/23/77/95/1080237795.db2.gz MLFLTGXYUXPIHE-GOSISDBHSA-N 1 0 403.592 2.759 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807068896 1080250680 /nfs/dbraw/zinc/25/06/80/1080250680.db2.gz UDTVKWRSVOYFPF-FQEVSTJZSA-N 1 0 417.554 2.950 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807068897 1080250826 /nfs/dbraw/zinc/25/08/26/1080250826.db2.gz UDTVKWRSVOYFPF-HXUWFJFHSA-N 1 0 417.554 2.950 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C[C@@H]1C ZINC000807088469 1080266752 /nfs/dbraw/zinc/26/67/52/1080266752.db2.gz BXIFPHPFZJEXQV-DZFGPLHGSA-N 1 0 401.551 2.602 20 0 HFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807092873 1080272014 /nfs/dbraw/zinc/27/20/14/1080272014.db2.gz XTQYEMJCNKKKJV-HXUWFJFHSA-N 1 0 401.551 2.603 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000807113720 1080290390 /nfs/dbraw/zinc/29/03/90/1080290390.db2.gz IDLRPXHVIQWOJQ-PBEJRMEISA-N 1 0 410.518 2.673 20 0 HFADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCc1ccccc1F ZINC000807114676 1080291592 /nfs/dbraw/zinc/29/15/92/1080291592.db2.gz YUSKBROQSIPJAQ-PGRDOPGGSA-N 1 0 411.521 2.853 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000807115252 1080291995 /nfs/dbraw/zinc/29/19/95/1080291995.db2.gz XFMCMCHPPNFTDB-PMACEKPBSA-N 1 0 422.573 2.745 20 0 HFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000807147296 1080302775 /nfs/dbraw/zinc/30/27/75/1080302775.db2.gz CVESBHXCXCSGHV-JTSKRJEESA-N 1 0 407.555 2.707 20 0 HFADRO C[C@H]1C[C@H](CCNC(=O)c2ccc(C(N)=O)c(Cl)n2)C[N@@H+]1Cc1ccccc1 ZINC000807149641 1080307057 /nfs/dbraw/zinc/30/70/57/1080307057.db2.gz CKWUYDKRXLUGIZ-HOCLYGCPSA-N 1 0 400.910 2.864 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000807164064 1080320061 /nfs/dbraw/zinc/32/00/61/1080320061.db2.gz VNVBTQBIZVWCOP-HXUWFJFHSA-N 1 0 404.555 2.991 20 0 HFADRO CCOC(=O)CC1([NH2+][C@H]2CC[C@@H](C(=O)OC)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001170518524 1080330700 /nfs/dbraw/zinc/33/07/00/1080330700.db2.gz GYWGZTWPABHJML-CVEARBPZSA-N 1 0 412.527 2.641 20 0 HFADRO CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1)CC1CC1 ZINC000807188530 1080337700 /nfs/dbraw/zinc/33/77/00/1080337700.db2.gz VWWQTGXMUCFZLY-KRWDZBQOSA-N 1 0 403.489 2.900 20 0 HFADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)[C@H]3CCCC34OCCO4)cc2)C[C@H]1C ZINC000807193436 1080342966 /nfs/dbraw/zinc/34/29/66/1080342966.db2.gz QYXARTVRPKIIPZ-XQBPLPMBSA-N 1 0 416.562 2.855 20 0 HFADRO CNC(=O)CC[C@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807204114 1080350296 /nfs/dbraw/zinc/35/02/96/1080350296.db2.gz VSMOBODFIWLVMX-NFBKMPQASA-N 1 0 400.567 2.989 20 0 HFADRO C[N@@H+]1CCN(CCNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1(C)C ZINC000807207823 1080357115 /nfs/dbraw/zinc/35/71/15/1080357115.db2.gz AREMDPPGUZQZON-QHCPKHFHSA-N 1 0 424.589 2.958 20 0 HFADRO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)c2)CC1 ZINC000807181870 1080374584 /nfs/dbraw/zinc/37/45/84/1080374584.db2.gz YEAMQDVQPCUITO-QGZVFWFLSA-N 1 0 412.456 2.709 20 0 HFADRO C[NH+](C)CCc1ccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000747379635 1080384750 /nfs/dbraw/zinc/38/47/50/1080384750.db2.gz GAWWVRFEQKZVFL-UHFFFAOYSA-N 1 0 424.545 2.684 20 0 HFADRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807246630 1080403579 /nfs/dbraw/zinc/40/35/79/1080403579.db2.gz NDNVERQGCXJQNN-YNIZLOQISA-N 1 0 407.599 2.857 20 0 HFADRO Cc1ccc(C[C@H](C)NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)s1 ZINC000807277888 1080433532 /nfs/dbraw/zinc/43/35/32/1080433532.db2.gz BGYGTJXYKDAJRY-KRWDZBQOSA-N 1 0 401.576 2.737 20 0 HFADRO Cc1ccc(C[C@@H](C)NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)s1 ZINC000807277889 1080433676 /nfs/dbraw/zinc/43/36/76/1080433676.db2.gz BGYGTJXYKDAJRY-QGZVFWFLSA-N 1 0 401.576 2.737 20 0 HFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(N)=O)c(Cl)n1)c1cccc(C(F)(F)F)c1 ZINC000807261030 1080466747 /nfs/dbraw/zinc/46/67/47/1080466747.db2.gz WHIAMZBEGFHSCF-AWEZNQCLSA-N 1 0 414.815 2.885 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000747389572 1080475135 /nfs/dbraw/zinc/47/51/35/1080475135.db2.gz KCTVSRYNHSHFNG-SFHVURJKSA-N 1 0 415.563 2.575 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000747389550 1080475162 /nfs/dbraw/zinc/47/51/62/1080475162.db2.gz JSSCCLHGNUZGBF-KRWDZBQOSA-N 1 0 415.563 2.718 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(C)nc1Br)c1ccco1 ZINC000807312808 1080506081 /nfs/dbraw/zinc/50/60/81/1080506081.db2.gz TUSFZLMBPDJMND-RISCZKNCSA-N 1 0 423.311 2.930 20 0 HFADRO COCc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355174 1080516274 /nfs/dbraw/zinc/51/62/74/1080516274.db2.gz ODTWCAOSQAVINW-XMMPIXPASA-N 1 0 407.514 2.896 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000807357764 1080519252 /nfs/dbraw/zinc/51/92/52/1080519252.db2.gz IAABSFFLCBWUEH-UHFFFAOYSA-N 1 0 418.607 2.903 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000807358960 1080520461 /nfs/dbraw/zinc/52/04/61/1080520461.db2.gz PDFWBWJRMMUGJT-UHFFFAOYSA-N 1 0 424.545 2.560 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C(C)C)cc1C(=O)OC ZINC000807334809 1080534845 /nfs/dbraw/zinc/53/48/45/1080534845.db2.gz UNJSIXRVTWEHKQ-UHFFFAOYSA-N 1 0 403.523 2.870 20 0 HFADRO Cc1ccc([C@@H](O)[C@@H](C)NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000807348013 1080553724 /nfs/dbraw/zinc/55/37/24/1080553724.db2.gz SCPOHXPKDIDSCO-GCJKJVERSA-N 1 0 409.530 2.810 20 0 HFADRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807353064 1080559140 /nfs/dbraw/zinc/55/91/40/1080559140.db2.gz DLPFGQHNSSWWII-GDBMZVCRSA-N 1 0 401.898 2.549 20 0 HFADRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807353065 1080559297 /nfs/dbraw/zinc/55/92/97/1080559297.db2.gz DLPFGQHNSSWWII-GOEBONIOSA-N 1 0 401.898 2.549 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)OCc2ccccc2)c1 ZINC000807394365 1080560635 /nfs/dbraw/zinc/56/06/35/1080560635.db2.gz KOLYRLGPNJERQX-NRFANRHFSA-N 1 0 423.513 2.973 20 0 HFADRO CNC(=O)Oc1cccc(OC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC001130932627 1080578742 /nfs/dbraw/zinc/57/87/42/1080578742.db2.gz NMSALWBVWGYGET-MOPGFXCFSA-N 1 0 400.479 2.558 20 0 HFADRO COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC001170523750 1080594181 /nfs/dbraw/zinc/59/41/81/1080594181.db2.gz IJIFSDQWSGZHKN-RHSMWYFYSA-N 1 0 409.324 2.985 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)[NH+](C)C ZINC000807406392 1080599820 /nfs/dbraw/zinc/59/98/20/1080599820.db2.gz MLPIGBDMNHNALU-JYAXBFRTSA-N 1 0 413.566 2.875 20 0 HFADRO CCCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000807454532 1080635422 /nfs/dbraw/zinc/63/54/22/1080635422.db2.gz WXLUYRPAYGCHHN-QFBILLFUSA-N 1 0 401.507 2.667 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1)c1ccco1 ZINC000807441116 1080661793 /nfs/dbraw/zinc/66/17/93/1080661793.db2.gz AGJJHTUNYIOYPT-DCGLDWPTSA-N 1 0 405.417 2.846 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)c1ccco1 ZINC000807442372 1080662531 /nfs/dbraw/zinc/66/25/31/1080662531.db2.gz ZDBSNUWJEOGNHU-AITUJVMLSA-N 1 0 403.527 2.740 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000807444000 1080664751 /nfs/dbraw/zinc/66/47/51/1080664751.db2.gz XKYPJNVZGWJKMG-GVDBMIGSSA-N 1 0 424.542 2.644 20 0 HFADRO CC(C)SCCNC(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000807445130 1080665571 /nfs/dbraw/zinc/66/55/71/1080665571.db2.gz OZQDQAPQBJQVHW-UHFFFAOYSA-N 1 0 410.559 2.552 20 0 HFADRO Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)no1 ZINC000807485948 1080667572 /nfs/dbraw/zinc/66/75/72/1080667572.db2.gz ICVUBWCAVPXNNC-SFHVURJKSA-N 1 0 411.437 2.542 20 0 HFADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[NH+](C)C ZINC000807492104 1080681070 /nfs/dbraw/zinc/68/10/70/1080681070.db2.gz LGKJEYKCXZATDS-SCLBCKFNSA-N 1 0 409.939 2.717 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)c1 ZINC000807494109 1080685261 /nfs/dbraw/zinc/68/52/61/1080685261.db2.gz WIJYHAUZFMOHGK-IBGZPJMESA-N 1 0 400.479 2.976 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)c1 ZINC000807494110 1080685271 /nfs/dbraw/zinc/68/52/71/1080685271.db2.gz WIJYHAUZFMOHGK-LJQANCHMSA-N 1 0 400.479 2.976 20 0 HFADRO CN(C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000807498868 1080696140 /nfs/dbraw/zinc/69/61/40/1080696140.db2.gz ZAXLGRLBEIIIJT-RCZVLFRGSA-N 1 0 423.557 2.523 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807503250 1080701307 /nfs/dbraw/zinc/70/13/07/1080701307.db2.gz ATKINOUBKZWZMB-DEOSSOPVSA-N 1 0 411.546 2.511 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)[NH+](C)C)cc1 ZINC000807509553 1080715967 /nfs/dbraw/zinc/71/59/67/1080715967.db2.gz LESWHYSFERGBHT-QGZVFWFLSA-N 1 0 404.898 2.880 20 0 HFADRO CC(C)Cc1cc(NC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)n(C)n1 ZINC000807473980 1080725991 /nfs/dbraw/zinc/72/59/91/1080725991.db2.gz PWYANHLXZWFWNE-UHFFFAOYSA-N 1 0 415.563 2.745 20 0 HFADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543692 1080760337 /nfs/dbraw/zinc/76/03/37/1080760337.db2.gz RGHQNAZGGRWRSO-JXFKEZNVSA-N 1 0 424.501 2.973 20 0 HFADRO COC[C@@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000807550826 1080766882 /nfs/dbraw/zinc/76/68/82/1080766882.db2.gz KPVPJKCHIRIEBC-AVRDEDQJSA-N 1 0 424.586 2.672 20 0 HFADRO Cc1cccc(F)c1CNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000807519904 1080772950 /nfs/dbraw/zinc/77/29/50/1080772950.db2.gz SUPZIAUKWFBVCF-UHFFFAOYSA-N 1 0 411.521 2.917 20 0 HFADRO CC(C)Cn1ncc(NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1C1CC1 ZINC000807522749 1080775618 /nfs/dbraw/zinc/77/56/18/1080775618.db2.gz ZNSLVFBOOOBCSX-UHFFFAOYSA-N 1 0 424.549 2.746 20 0 HFADRO COC[C@@]1(CNC(=O)N2CCCC23CC[NH+](C)CC3)CCCN1C(=O)OC(C)(C)C ZINC000807554699 1080805587 /nfs/dbraw/zinc/80/55/87/1080805587.db2.gz ZPQQDBHSNVCZMJ-QFIPXVFZSA-N 1 0 424.586 2.672 20 0 HFADRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000685619767 1126106421 /nfs/dbraw/zinc/10/64/21/1126106421.db2.gz ZPGGJSVTXUJTBU-OAHLLOKOSA-N 1 0 405.271 2.862 20 0 HFADRO Cc1csc2nc(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cc(=O)n12 ZINC001176589579 1126149780 /nfs/dbraw/zinc/14/97/80/1126149780.db2.gz XIVGBQZHJUXFLK-SFHVURJKSA-N 1 0 422.348 2.910 20 0 HFADRO OC[C@]12C[NH2+]C[C@@H]1CN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)C2 ZINC001164401611 718854106 /nfs/dbraw/zinc/85/41/06/718854106.db2.gz CJSSMOBUVPUGSI-VQIMIIECSA-N 1 0 409.864 2.877 20 0 HFADRO CS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)cnc1Cl ZINC001164429892 718948609 /nfs/dbraw/zinc/94/86/09/718948609.db2.gz QMGXCVCCBZQUES-CABCVRRESA-N 1 0 413.877 2.759 20 0 HFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164620228 719013652 /nfs/dbraw/zinc/01/36/52/719013652.db2.gz YAUDBQYJASTGRO-DVVUODLYSA-N 1 0 402.854 2.619 20 0 HFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164622342 719047531 /nfs/dbraw/zinc/04/75/31/719047531.db2.gz KPVCOSMUJPBBCM-BEFAXECRSA-N 1 0 406.864 2.962 20 0 HFADRO c1cncc(OCc2nnn3c2CN(c2ccc(C[NH+]4CCCC4)cn2)CCC3)c1 ZINC001164652746 719327974 /nfs/dbraw/zinc/32/79/74/719327974.db2.gz FJJLTWMJGITAPQ-UHFFFAOYSA-N 1 0 405.506 2.653 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@H]43)n2)CC1 ZINC001164659695 719343438 /nfs/dbraw/zinc/34/34/38/719343438.db2.gz DOUAURUSOLYAMJ-VIZSFHNOSA-N 1 0 400.567 2.776 20 0 HFADRO Cn1ncc2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@H]2COc1cccnc1 ZINC001164687241 719599852 /nfs/dbraw/zinc/59/98/52/719599852.db2.gz RUADJTNQOPVRJD-IBGZPJMESA-N 1 0 404.518 2.989 20 0 HFADRO CCOC(=O)c1c(C)cc(Cl)nc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685153 719615464 /nfs/dbraw/zinc/61/54/64/719615464.db2.gz SCWBIQARXWKUKR-UHFFFAOYSA-N 1 0 405.930 2.892 20 0 HFADRO COc1ccc2nc(Cl)cc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2n1 ZINC001164681984 719625658 /nfs/dbraw/zinc/62/56/58/719625658.db2.gz KPVBBHDDULPYPP-UHFFFAOYSA-N 1 0 400.914 2.963 20 0 HFADRO COc1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683085 719660174 /nfs/dbraw/zinc/66/01/74/719660174.db2.gz URCXKWQSZFQOAH-GOSISDBHSA-N 1 0 423.561 2.579 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc3cc(OC)c(OC)cc3n1)C2 ZINC001164807029 720109508 /nfs/dbraw/zinc/10/95/08/720109508.db2.gz ANAWYHMUBUACED-GAJHUEQPSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(Cl)[n+]1[O-])CC2 ZINC001164714854 720112275 /nfs/dbraw/zinc/11/22/75/720112275.db2.gz COQKUTLAZSOXQO-SFHVURJKSA-N 1 0 402.926 2.876 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(Cl)[n+]1[O-])CC2 ZINC001164714852 720113138 /nfs/dbraw/zinc/11/31/38/720113138.db2.gz COQKUTLAZSOXQO-GOSISDBHSA-N 1 0 402.926 2.876 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)N(C)OC)cc(Cl)n1)C2 ZINC001164816503 720121459 /nfs/dbraw/zinc/12/14/59/720121459.db2.gz ZKCLMNSIXAOWGV-UTKZUKDTSA-N 1 0 422.957 2.553 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)cc(OC)c31)C2 ZINC001164807403 720125737 /nfs/dbraw/zinc/12/57/37/720125737.db2.gz CGHPLMDRIBSUKU-SBUREZEXSA-N 1 0 412.534 2.832 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3[nH]c(C)nc3n1)CC2 ZINC001164713104 720130004 /nfs/dbraw/zinc/13/00/04/720130004.db2.gz QYOHZPYJFIXKQF-SFHVURJKSA-N 1 0 407.522 2.515 20 0 HFADRO CCn1cnc2c1ncnc2N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164710456 720143473 /nfs/dbraw/zinc/14/34/73/720143473.db2.gz BQBIOQIRXQKFAS-LJQANCHMSA-N 1 0 421.549 2.749 20 0 HFADRO Cc1ccc2ccnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164716544 720181076 /nfs/dbraw/zinc/18/10/76/720181076.db2.gz GXJISMJCENHXAR-NRFANRHFSA-N 1 0 406.534 2.888 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nnc1OC)C2 ZINC001164811416 720200187 /nfs/dbraw/zinc/20/01/87/720200187.db2.gz HEEVJYMACMBBRA-RDTXWAMCSA-N 1 0 416.900 2.868 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164815459 720202419 /nfs/dbraw/zinc/20/24/19/720202419.db2.gz ZPWFJMODFSQJJP-FUHWJXTLSA-N 1 0 401.885 2.703 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccnc(-c3ccccc3)n1)CCC2 ZINC001164813467 720214575 /nfs/dbraw/zinc/21/45/75/720214575.db2.gz PWZHXXZZJFPANF-UHFFFAOYSA-N 1 0 404.518 2.951 20 0 HFADRO C=Cc1nc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1OC ZINC001164813826 720235073 /nfs/dbraw/zinc/23/50/73/720235073.db2.gz PPEIPXMYZOWCBT-UHFFFAOYSA-N 1 0 418.929 2.589 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813340 720240557 /nfs/dbraw/zinc/24/05/57/720240557.db2.gz NCBDFBDLJFDPQY-UHFFFAOYSA-N 1 0 419.533 2.654 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cl)c3ccncc32)CC1 ZINC001164825963 720300200 /nfs/dbraw/zinc/30/02/00/720300200.db2.gz UVOREVWHMUQCHQ-MSOLQXFVSA-N 1 0 414.941 2.590 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820559 720301228 /nfs/dbraw/zinc/30/12/28/720301228.db2.gz HLBXYDSSZCLQCA-JKSUJKDBSA-N 1 0 409.987 2.763 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@@H](F)Oc2ccnc(Cl)c2)CC1 ZINC001164822570 720306972 /nfs/dbraw/zinc/30/69/72/720306972.db2.gz NDPXIJPCLIVATI-MBOZVWFJSA-N 1 0 410.921 2.774 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164832419 720318516 /nfs/dbraw/zinc/31/85/16/720318516.db2.gz SYFWFQHJYZXDOS-GJZGRUSLSA-N 1 0 409.987 2.763 20 0 HFADRO COc1ccc2ncc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164826320 720319029 /nfs/dbraw/zinc/31/90/29/720319029.db2.gz GEQLPTQYWIACKW-RTWAWAEBSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nnc(Cl)c3cccnc32)CC1 ZINC001164824748 720319647 /nfs/dbraw/zinc/31/96/47/720319647.db2.gz DBQBRMNIUKMVBI-SJORKVTESA-N 1 0 414.941 2.590 20 0 HFADRO CSc1cnc(Cl)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833876 720321614 /nfs/dbraw/zinc/32/16/14/720321614.db2.gz XUQJPBZLGZSYGH-LSDHHAIUSA-N 1 0 409.987 2.763 20 0 HFADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccccn2)n1 ZINC001164825712 720336780 /nfs/dbraw/zinc/33/67/80/720336780.db2.gz JMBYVFATFOHXEX-NHCUHLMSSA-N 1 0 420.561 2.759 20 0 HFADRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccco2)n1 ZINC001164824262 720344981 /nfs/dbraw/zinc/34/49/81/720344981.db2.gz HTDYLSLIRSJPDQ-RTBURBONSA-N 1 0 409.534 2.957 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(C3CC3)nc3[nH]ccc32)CC1 ZINC001164828369 720351946 /nfs/dbraw/zinc/35/19/46/720351946.db2.gz OLNOCBLDZMEBHM-RTBURBONSA-N 1 0 408.550 2.747 20 0 HFADRO COc1cc(C)c2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164828348 720357423 /nfs/dbraw/zinc/35/74/23/720357423.db2.gz OITQCOHLSVQCLJ-LEWJYISDSA-N 1 0 423.561 2.858 20 0 HFADRO Cc1nc(CN2CCN(C)C3(CCN(c4[nH+]ccc5c4ccn5C)CC3)C2=O)cs1 ZINC001164824807 720364847 /nfs/dbraw/zinc/36/48/47/720364847.db2.gz MLRQYDMUTFWTDZ-UHFFFAOYSA-N 1 0 424.574 2.651 20 0 HFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)c3)cc21 ZINC001164729039 720376793 /nfs/dbraw/zinc/37/67/93/720376793.db2.gz UVEACVQTJRYQPR-VXKWHMMOSA-N 1 0 414.513 2.611 20 0 HFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)c3)cc21 ZINC001164729041 720377592 /nfs/dbraw/zinc/37/75/92/720377592.db2.gz UVEACVQTJRYQPR-YADHBBJMSA-N 1 0 414.513 2.611 20 0 HFADRO CCOC(=O)c1sc2ncnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164727611 720505689 /nfs/dbraw/zinc/50/56/89/720505689.db2.gz CKMHTEZYTIHWEP-AWEZNQCLSA-N 1 0 414.535 2.571 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc(N(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836548 720507453 /nfs/dbraw/zinc/50/74/53/720507453.db2.gz NENPPVWCGVUGHP-IXDOHACOSA-N 1 0 403.962 2.770 20 0 HFADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2ccc3ncnc(Cl)c3n2)C1 ZINC001164730116 720518859 /nfs/dbraw/zinc/51/88/59/720518859.db2.gz RAYGHSAPYHOYRP-GFCCVEGCSA-N 1 0 407.856 2.618 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc3c(Cl)ncnc3c2)C1 ZINC001164733566 720521456 /nfs/dbraw/zinc/52/14/56/720521456.db2.gz KXFAQTLXGVLPKT-LBPRGKRZSA-N 1 0 407.856 2.618 20 0 HFADRO COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(F)c1 ZINC001164839308 720533484 /nfs/dbraw/zinc/53/34/84/720533484.db2.gz QDYJJQQRFZEJEA-ZIFCJYIRSA-N 1 0 401.486 2.582 20 0 HFADRO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841458 720544408 /nfs/dbraw/zinc/54/44/08/720544408.db2.gz VYKRDUSTAPSBJK-ABSDTBQOSA-N 1 0 415.513 2.890 20 0 HFADRO COc1cc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2cc1OC ZINC001164733350 720553910 /nfs/dbraw/zinc/55/39/10/720553910.db2.gz LXNIIJPNWPONDD-UHFFFAOYSA-N 1 0 408.506 2.502 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)N4CCCC4)ccn3)CC[C@@H]21 ZINC001164833835 720575990 /nfs/dbraw/zinc/57/59/90/720575990.db2.gz BTORALOVVSVSDL-FSSWDIPSSA-N 1 0 422.577 2.892 20 0 HFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164736962 720591578 /nfs/dbraw/zinc/59/15/78/720591578.db2.gz WSDRRSITQBYALG-UHFFFAOYSA-N 1 0 405.506 2.864 20 0 HFADRO C[C@@H]1CCc2c(sc3ncnc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)C1 ZINC001164738521 720691873 /nfs/dbraw/zinc/69/18/73/720691873.db2.gz KJAOLLURKSPJHH-OAGGEKHMSA-N 1 0 422.558 2.948 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3c1NC(=O)CO3)CC2 ZINC001164840459 720692852 /nfs/dbraw/zinc/69/28/52/720692852.db2.gz DZXRIOLYWFHZHT-GOSISDBHSA-N 1 0 408.502 2.672 20 0 HFADRO CN(C)c1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc2nc[nH]c21 ZINC001164841858 720698359 /nfs/dbraw/zinc/69/83/59/720698359.db2.gz JNPINFMQQYYQPQ-SFHVURJKSA-N 1 0 421.549 2.679 20 0 HFADRO Fc1cc2ncnc(Cl)c2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164744908 720744636 /nfs/dbraw/zinc/74/46/36/720744636.db2.gz TUVYUCLMGUXSAD-KBPBESRZSA-N 1 0 400.845 2.554 20 0 HFADRO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745843 720773311 /nfs/dbraw/zinc/77/33/11/720773311.db2.gz WAQXGFHHKUTZCT-PMACEKPBSA-N 1 0 416.529 2.967 20 0 HFADRO Fc1cc2ncc(Cl)nc2cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742906 720778906 /nfs/dbraw/zinc/77/89/06/720778906.db2.gz PIURJATZYRTHBU-CHWSQXEVSA-N 1 0 400.845 2.554 20 0 HFADRO Fc1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164744198 720779155 /nfs/dbraw/zinc/77/91/55/720779155.db2.gz RLYWDXUQIXEWSH-FUHWJXTLSA-N 1 0 408.437 2.540 20 0 HFADRO Clc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(-c2ccccc2)n1 ZINC001164738575 720779443 /nfs/dbraw/zinc/77/94/43/720779443.db2.gz GBJOXYHMUSUGKY-IRXDYDNUSA-N 1 0 408.893 2.929 20 0 HFADRO CCOc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164738627 720779710 /nfs/dbraw/zinc/77/97/10/720779710.db2.gz GMPPSIQQIJOTSH-AZUAARDMSA-N 1 0 418.501 2.674 20 0 HFADRO Cc1csc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c12 ZINC001164744896 720809761 /nfs/dbraw/zinc/80/97/61/720809761.db2.gz JLIZYSPLFWUCOR-FGTMMUONSA-N 1 0 409.563 2.971 20 0 HFADRO FC(F)(c1ccc(Cl)nn1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738386 720817206 /nfs/dbraw/zinc/81/72/06/720817206.db2.gz FENXMROIRXSZSU-ARFHVFGLSA-N 1 0 423.899 2.646 20 0 HFADRO c1coc(-c2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cn2)c1 ZINC001164745563 720824577 /nfs/dbraw/zinc/82/45/77/720824577.db2.gz WTZCKCQNAOOEDA-NLWGTHIKSA-N 1 0 405.506 2.708 20 0 HFADRO Fc1cccc2c1ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744115 720825086 /nfs/dbraw/zinc/82/50/86/720825086.db2.gz UFOZGCJJKCGVEA-MBOZVWFJSA-N 1 0 407.497 2.740 20 0 HFADRO COc1cc(Cl)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739273 720826349 /nfs/dbraw/zinc/82/63/49/720826349.db2.gz HWXICWPFRZOENO-KBAYOESNSA-N 1 0 402.930 2.715 20 0 HFADRO Clc1nc2cccnc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743244 720828040 /nfs/dbraw/zinc/82/80/40/720828040.db2.gz RPNHBAVCJIABCJ-LZLYRXPVSA-N 1 0 424.940 2.649 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC[C@H]2C1 ZINC001164855899 720834911 /nfs/dbraw/zinc/83/49/11/720834911.db2.gz VKCHKIOOPGFWRD-RYUDHWBXSA-N 1 0 411.280 2.502 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(SC)n3)CC[C@H]2C1 ZINC001164854272 720836489 /nfs/dbraw/zinc/83/64/89/720836489.db2.gz QWZFFUJXGMOKCY-QWHCGFSZSA-N 1 0 422.929 2.570 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccnc3C3SCCCS3)CC[C@@H]2C1 ZINC001164857096 720847177 /nfs/dbraw/zinc/84/71/77/720847177.db2.gz XHUQBFDRPYPXIO-HZPDHXFCSA-N 1 0 410.609 2.519 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(-c4c[nH]c5ccccc54)n3)CC[C@@H]2C1 ZINC001164857484 720852943 /nfs/dbraw/zinc/85/29/43/720852943.db2.gz QYYAEBQWGJMJOF-VGOFRKELSA-N 1 0 407.518 2.798 20 0 HFADRO CCc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)nc1C ZINC001164748133 720859831 /nfs/dbraw/zinc/85/98/31/720859831.db2.gz KJMZNHBVGAUBCX-ZIFCJYIRSA-N 1 0 415.973 2.972 20 0 HFADRO COc1nccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747989 720868863 /nfs/dbraw/zinc/86/88/63/720868863.db2.gz DBRMCJXILQBGEK-NZQKXSOJSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nccc(Oc4cccc(F)c4)n3)CC[C@H]2C1 ZINC001164854535 720869346 /nfs/dbraw/zinc/86/93/46/720869346.db2.gz KJQIJAOYARURGI-QFBILLFUSA-N 1 0 402.470 2.582 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cn3)CC[C@@H]2C1 ZINC001164864470 720871914 /nfs/dbraw/zinc/87/19/14/720871914.db2.gz VWXYKBZZOMWXRD-SJLPKXTDSA-N 1 0 406.527 2.602 20 0 HFADRO COc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164752196 720873491 /nfs/dbraw/zinc/87/34/91/720873491.db2.gz MACFQAODVGTOEK-NFBKMPQASA-N 1 0 409.534 2.635 20 0 HFADRO CCc1nc2sc3c(c2c(N2CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C2)n1)CCC3 ZINC001164855608 720874185 /nfs/dbraw/zinc/87/41/85/720874185.db2.gz HMJAKXJAWPRCNH-NVXWUHKLSA-N 1 0 416.591 2.916 20 0 HFADRO CN(C)c1nccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753864 720884004 /nfs/dbraw/zinc/88/40/04/720884004.db2.gz HIZVVQPZEOFUAQ-ZJSXRUAMSA-N 1 0 422.577 2.693 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nnc(-c4ccccc4F)cc3C)CC[C@@H]2C1 ZINC001164853868 720887621 /nfs/dbraw/zinc/88/76/21/720887621.db2.gz DHDMFMBQLGEUOM-UTKZUKDTSA-N 1 0 400.498 2.765 20 0 HFADRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C)n1 ZINC001164757892 720887826 /nfs/dbraw/zinc/88/78/26/720887826.db2.gz WFCAQVXUCARTGD-URXFXBBRSA-N 1 0 423.561 2.944 20 0 HFADRO COC(=O)CSc1cccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164862392 720991059 /nfs/dbraw/zinc/99/10/59/720991059.db2.gz SGPJSPAMFHLEQT-HNNXBMFYSA-N 1 0 403.552 2.965 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@@H](CNC(=O)N(C)C)[C@@H]3C2)nc1 ZINC001164758294 720999989 /nfs/dbraw/zinc/99/99/89/720999989.db2.gz UWIPCZPGIMVKPH-NCYKPQTJSA-N 1 0 415.582 2.741 20 0 HFADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(S(N)(=O)=O)cn4)CC3)CC2)cc1 ZINC001164758891 721043950 /nfs/dbraw/zinc/04/39/50/721043950.db2.gz CTVRTECHTYEEKY-UHFFFAOYSA-N 1 0 414.575 2.920 20 0 HFADRO Cc1nc(Cl)cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164868140 721061211 /nfs/dbraw/zinc/06/12/11/721061211.db2.gz MXHAMERHLBOQAU-HOTGVXAUSA-N 1 0 409.868 2.858 20 0 HFADRO c1ccc(COc2cncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164867128 721062867 /nfs/dbraw/zinc/06/28/67/721062867.db2.gz IHCRXZYOEDFWRL-VXKWHMMOSA-N 1 0 417.513 2.930 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CSC2 ZINC001164866244 721069427 /nfs/dbraw/zinc/06/94/27/721069427.db2.gz DALFYFWIGOTQKY-LSDHHAIUSA-N 1 0 403.939 2.752 20 0 HFADRO CCOC(=O)c1cc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2[nH]1 ZINC001164865513 721076542 /nfs/dbraw/zinc/07/65/42/721076542.db2.gz MDOBNKLTTTUDLB-RTBURBONSA-N 1 0 421.501 2.614 20 0 HFADRO COc1cc2ncc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2cc1OC ZINC001164867373 721081523 /nfs/dbraw/zinc/08/15/23/721081523.db2.gz YEXIVFMABDLYHR-ROUUACIJSA-N 1 0 421.501 2.522 20 0 HFADRO COCc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164766594 721082323 /nfs/dbraw/zinc/08/23/23/721082323.db2.gz KWQUWFHSYIQQHF-SFTDATJTSA-N 1 0 418.545 2.982 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cncc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164766540 721093266 /nfs/dbraw/zinc/09/32/66/721093266.db2.gz KTPXMAADUPRKID-LEWJYISDSA-N 1 0 404.518 2.747 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164765658 721109141 /nfs/dbraw/zinc/10/91/41/721109141.db2.gz JYNIDVQMRGTITF-ZWKOTPCHSA-N 1 0 409.925 2.884 20 0 HFADRO COC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863469 721111353 /nfs/dbraw/zinc/11/13/53/721111353.db2.gz CIKRKHNFOAHZLN-WOJBJXKFSA-N 1 0 418.497 2.896 20 0 HFADRO COc1ccc2nc(Cl)cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2n1 ZINC001164765679 721143168 /nfs/dbraw/zinc/14/31/68/721143168.db2.gz KBJQVIUKBXVWBG-HOTGVXAUSA-N 1 0 412.925 2.984 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762077 721148040 /nfs/dbraw/zinc/14/80/40/721148040.db2.gz BUIVBDYFNYJIQY-SJORKVTESA-N 1 0 417.941 2.912 20 0 HFADRO c1ccc(Cc2nccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164880334 721160775 /nfs/dbraw/zinc/16/07/75/721160775.db2.gz VYUPBXJVGLFCPN-VXKWHMMOSA-N 1 0 401.514 2.942 20 0 HFADRO c1ccc(Cc2nccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164880331 721161160 /nfs/dbraw/zinc/16/11/60/721161160.db2.gz VYUPBXJVGLFCPN-FGZHOGPDSA-N 1 0 401.514 2.942 20 0 HFADRO COC(=O)c1cccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc21 ZINC001164869792 721168912 /nfs/dbraw/zinc/16/89/12/721168912.db2.gz BPZUQZKSMDHWQJ-RBUKOAKNSA-N 1 0 418.497 2.896 20 0 HFADRO COC(=O)c1cc(Cl)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164873667 721182992 /nfs/dbraw/zinc/18/29/92/721182992.db2.gz JWRAIRQWAPNGLO-DLBZAZTESA-N 1 0 416.909 2.705 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@H]3C2)cn1 ZINC001164770825 721212296 /nfs/dbraw/zinc/21/22/96/721212296.db2.gz ORRSYWAZJRXSEC-UONOGXRCSA-N 1 0 421.883 2.848 20 0 HFADRO CCS(=O)(=O)c1cc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)cnc1Cl ZINC001164775064 721304062 /nfs/dbraw/zinc/30/40/62/721304062.db2.gz NTSBZDBVMYQJQV-UHFFFAOYSA-N 1 0 419.925 2.996 20 0 HFADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3ccn4C)C2)C1 ZINC001164776405 721337962 /nfs/dbraw/zinc/33/79/62/721337962.db2.gz FFMGEYVBRXZVPA-QFIPXVFZSA-N 1 0 410.522 2.692 20 0 HFADRO Cc1nc2sccc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888594 721379261 /nfs/dbraw/zinc/37/92/61/721379261.db2.gz KHBRPCLDRQNONH-DYESRHJHSA-N 1 0 401.580 2.765 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886341 721411364 /nfs/dbraw/zinc/41/13/64/721411364.db2.gz JCZVZOWCARBDFN-DNVCBOLYSA-N 1 0 412.003 2.617 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@H](F)Oc4cccc(Cl)n4)C3)O2)CC1 ZINC001164887728 721412087 /nfs/dbraw/zinc/41/20/87/721412087.db2.gz MSJSULUANDIEAH-FFZOFVMBSA-N 1 0 412.937 2.628 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C5CC5)n4)C3)O2)CC1 ZINC001164883487 721414252 /nfs/dbraw/zinc/41/42/52/721414252.db2.gz ACSPWRQXUHEJSN-DYESRHJHSA-N 1 0 405.974 2.773 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccccc6c54)C3)O2)CC1 ZINC001164892502 721417164 /nfs/dbraw/zinc/41/71/64/721417164.db2.gz YPECOUBUILWDML-HOYKHHGWSA-N 1 0 420.561 2.877 20 0 HFADRO CCCSc1cncc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893693 721439788 /nfs/dbraw/zinc/43/97/88/721439788.db2.gz JYUSHUCPSNRPDL-WIYYLYMNSA-N 1 0 405.612 2.744 20 0 HFADRO Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)o1 ZINC001164889583 721441439 /nfs/dbraw/zinc/44/14/39/721441439.db2.gz BXAGXWVODVBQMA-XXBNENTESA-N 1 0 411.550 2.810 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(NC3CC3)n1)CC2 ZINC001164790378 721448637 /nfs/dbraw/zinc/44/86/37/721448637.db2.gz YPSHGOQSECEGHR-HXUWFJFHSA-N 1 0 415.582 2.785 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccnc(SC)n1)CC2 ZINC001164783280 721450860 /nfs/dbraw/zinc/45/08/60/721450860.db2.gz BECDFJKHBSBDBJ-GOSISDBHSA-N 1 0 406.596 2.932 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)nc1 ZINC001164894322 721484420 /nfs/dbraw/zinc/48/44/20/721484420.db2.gz HHBOKVJNVTZUDA-YZUZCNPQSA-N 1 0 412.578 2.998 20 0 HFADRO Cc1cc2c(c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)n1)C(=O)NC2=O ZINC001164796268 721499441 /nfs/dbraw/zinc/49/94/41/721499441.db2.gz OYWKYAWXXYQABB-UHFFFAOYSA-N 1 0 405.502 2.550 20 0 HFADRO CNC(=O)c1cc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164794501 721504228 /nfs/dbraw/zinc/50/42/28/721504228.db2.gz ADUBFWPRWWDIEV-UHFFFAOYSA-N 1 0 414.941 2.766 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900117 721511042 /nfs/dbraw/zinc/51/10/42/721511042.db2.gz OFVGJCWIIXBDCF-ZBFHGGJFSA-N 1 0 420.872 2.788 20 0 HFADRO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[N@@H+]3C2)c1 ZINC001164902154 721519177 /nfs/dbraw/zinc/51/91/77/721519177.db2.gz ZRDTXIWMTOVVDH-WMZOPIPTSA-N 1 0 422.460 2.882 20 0 HFADRO CC(C)c1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(C(C)(C)C)n1 ZINC001164796149 721520548 /nfs/dbraw/zinc/52/05/48/721520548.db2.gz WLTLOKSQMPQUAA-UHFFFAOYSA-N 1 0 411.598 2.862 20 0 HFADRO CCOC(=O)c1ccc(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164794473 721523852 /nfs/dbraw/zinc/52/38/52/721523852.db2.gz DTMYILJUYIAZBM-ACRUOGEOSA-N 1 0 410.518 2.830 20 0 HFADRO COC(=O)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1Cl ZINC001164803831 721531272 /nfs/dbraw/zinc/53/12/72/721531272.db2.gz JJNITTYNCMEZCJ-WSTZPKSXSA-N 1 0 416.909 2.785 20 0 HFADRO COCc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(SC)n1 ZINC001164909232 721532257 /nfs/dbraw/zinc/53/22/57/721532257.db2.gz QZJSVSQBJQJFHV-FUHWJXTLSA-N 1 0 404.511 2.826 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164912351 721532882 /nfs/dbraw/zinc/53/28/82/721532882.db2.gz YZUWCPSIEGBXOX-SJLPKXTDSA-N 1 0 413.497 2.942 20 0 HFADRO O=c1cc2[nH]c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164905189 721536628 /nfs/dbraw/zinc/53/66/28/721536628.db2.gz GJQWQAOVPVMOLS-HIFRSBDPSA-N 1 0 402.857 2.711 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164805989 721537261 /nfs/dbraw/zinc/53/72/61/721537261.db2.gz NEFJPCKNPBBXTM-URVUXULASA-N 1 0 410.518 2.830 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164805986 721537796 /nfs/dbraw/zinc/53/77/96/721537796.db2.gz NEFJPCKNPBBXTM-JAXLGGSGSA-N 1 0 410.518 2.830 20 0 HFADRO COCCn1ccc2c1ncnc2N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906408 721538258 /nfs/dbraw/zinc/53/82/58/721538258.db2.gz KZSAJSCXCBYYEK-PKOBYXMFSA-N 1 0 411.481 2.559 20 0 HFADRO COCCn1ccc2c1ncnc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906405 721538447 /nfs/dbraw/zinc/53/84/47/721538447.db2.gz KZSAJSCXCBYYEK-HKUYNNGSSA-N 1 0 411.481 2.559 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164905299 721550901 /nfs/dbraw/zinc/55/09/01/721550901.db2.gz GMVZMRGVRRJRIM-GOEBONIOSA-N 1 0 416.888 2.806 20 0 HFADRO CN(C)C(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164907573 721555622 /nfs/dbraw/zinc/55/56/22/721555622.db2.gz OOTLUBPQIIWABX-FUHWJXTLSA-N 1 0 418.900 2.918 20 0 HFADRO COC(OC)c1cc(C)cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164807306 721570341 /nfs/dbraw/zinc/57/03/41/721570341.db2.gz SOYSFHUCQNFGCV-ACRUOGEOSA-N 1 0 412.534 2.945 20 0 HFADRO COC(=O)Cc1cccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905993 721701466 /nfs/dbraw/zinc/70/14/66/721701466.db2.gz KUQGUUPICAAQLU-NRFANRHFSA-N 1 0 416.472 2.930 20 0 HFADRO O=C1COc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc2N1 ZINC001164907845 721703980 /nfs/dbraw/zinc/70/39/80/721703980.db2.gz UTWNJHYPVKSCDW-HXUWFJFHSA-N 1 0 415.444 2.545 20 0 HFADRO O=C1COc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2N1 ZINC001164908717 721706645 /nfs/dbraw/zinc/70/66/45/721706645.db2.gz YTGXIBLRPFSWLU-HXUWFJFHSA-N 1 0 415.444 2.545 20 0 HFADRO FC1(F)CCN(c2cc3c(nn2)CCOC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164913115 721733485 /nfs/dbraw/zinc/73/34/85/721733485.db2.gz TUTMUHQWSYTTHZ-FQEVSTJZSA-N 1 0 401.461 2.682 20 0 HFADRO COc1ccc(-c2ccc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nn2)cc1 ZINC001165009438 721744165 /nfs/dbraw/zinc/74/41/65/721744165.db2.gz DDVMNPYAOSFRJA-UHFFFAOYSA-N 1 0 409.534 2.675 20 0 HFADRO CCc1nc(Cl)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(Cl)n1 ZINC001165011299 721747250 /nfs/dbraw/zinc/74/72/50/721747250.db2.gz URYHDPIQPGEOKS-UHFFFAOYSA-N 1 0 400.354 2.869 20 0 HFADRO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001165015915 721781672 /nfs/dbraw/zinc/78/16/72/721781672.db2.gz BQSSEYLBYCBMLW-XPNTWCBSSA-N 1 0 411.550 2.717 20 0 HFADRO c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001165015914 721781878 /nfs/dbraw/zinc/78/18/78/721781878.db2.gz BQSSEYLBYCBMLW-XJUOHMSHSA-N 1 0 411.550 2.717 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3C(C)(C)C(=O)N4)C[C@@H]21 ZINC001165023938 721821810 /nfs/dbraw/zinc/82/18/10/721821810.db2.gz IVGSLLCXTYYOKJ-RYQLBKOJSA-N 1 0 406.534 2.838 20 0 HFADRO CON(C)C(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165023008 721827684 /nfs/dbraw/zinc/82/76/84/721827684.db2.gz HEUJRZVEIWOAIQ-JBACZVJFSA-N 1 0 409.534 2.847 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164923871 721874150 /nfs/dbraw/zinc/87/41/50/721874150.db2.gz KJUPRLXDRZCWBC-IRXDYDNUSA-N 1 0 411.884 2.923 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922373 721875709 /nfs/dbraw/zinc/87/57/09/721875709.db2.gz GCWDNQWOPSQNMB-SFTDATJTSA-N 1 0 403.530 2.939 20 0 HFADRO COc1ccc(Cc2c(C)nc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nc2C)cc1 ZINC001164931967 721886961 /nfs/dbraw/zinc/88/69/61/721886961.db2.gz GXELKADEYPUSSH-GOTSBHOMSA-N 1 0 409.578 2.907 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(-n5cncn5)nc(C)n4)CC3)C2)cc1 ZINC001164940125 721932773 /nfs/dbraw/zinc/93/27/73/721932773.db2.gz QHYNSFSZRKZZTG-UHFFFAOYSA-N 1 0 419.533 2.546 20 0 HFADRO C[NH+]1CCN(c2ccc(N3CCN(c4ccnc5cc(Cl)ccc54)CC3)nn2)CC1 ZINC001165044587 721939451 /nfs/dbraw/zinc/93/94/51/721939451.db2.gz OFJBFPFFUWBFOE-UHFFFAOYSA-N 1 0 423.952 2.757 20 0 HFADRO CN1CCOc2c(Cl)nnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c21 ZINC001164955263 722021111 /nfs/dbraw/zinc/02/11/11/722021111.db2.gz CKHNYUJJOYQHSB-UHFFFAOYSA-N 1 0 414.941 2.846 20 0 HFADRO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1C ZINC001164964492 722055276 /nfs/dbraw/zinc/05/52/76/722055276.db2.gz VEPOUNBSYUSTSN-UHFFFAOYSA-N 1 0 410.518 2.691 20 0 HFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4cc(N5CCCCC5)ncn4)CC3)C2)ccn1 ZINC001164960668 722059531 /nfs/dbraw/zinc/05/95/31/722059531.db2.gz GPRPJDMOZVVJOF-UHFFFAOYSA-N 1 0 422.577 2.981 20 0 HFADRO COc1cc2nc(Cl)c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2cc1OC ZINC001164967112 722072348 /nfs/dbraw/zinc/07/23/48/722072348.db2.gz IQPMLWFMNHACRG-OKILXGFUSA-N 1 0 404.898 2.600 20 0 HFADRO CS(=O)(=O)N1C[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2c2ccccc21 ZINC001164972864 722090548 /nfs/dbraw/zinc/09/05/48/722090548.db2.gz ITYBMOWXECFMPX-AZUAARDMSA-N 1 0 412.559 2.677 20 0 HFADRO FC(F)(c1ccnc(Cl)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983374 722098605 /nfs/dbraw/zinc/09/86/05/722098605.db2.gz PQSRZOJAVWISHN-HZPDHXFCSA-N 1 0 409.868 2.797 20 0 HFADRO Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1N1CCCC1 ZINC001164978209 722099178 /nfs/dbraw/zinc/09/91/78/722099178.db2.gz GESKSEBFPUUXLC-RTWAWAEBSA-N 1 0 408.550 2.508 20 0 HFADRO COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164984277 722099271 /nfs/dbraw/zinc/09/92/71/722099271.db2.gz RWJZJMXMSHLTOF-VQIMIIECSA-N 1 0 416.909 2.644 20 0 HFADRO Fc1c[nH]c2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164985141 722100034 /nfs/dbraw/zinc/10/00/34/722100034.db2.gz UZGXIQHWZSNECX-GOEBONIOSA-N 1 0 416.888 2.873 20 0 HFADRO CCOC(=O)c1cc(F)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980734 722104804 /nfs/dbraw/zinc/10/48/04/722104804.db2.gz KBVYDDJJDIFGSP-PXNSSMCTSA-N 1 0 414.481 2.520 20 0 HFADRO CCOC(=O)c1cc(C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983440 722105602 /nfs/dbraw/zinc/10/56/02/722105602.db2.gz QDUDMQVIWJMTKT-CTNGQTDRSA-N 1 0 410.518 2.689 20 0 HFADRO COc1c(Cl)nc(C)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981058 722117609 /nfs/dbraw/zinc/11/76/09/722117609.db2.gz SFHCFTPRGAATRX-IRXDYDNUSA-N 1 0 403.914 2.569 20 0 HFADRO COc1c(Cl)nc(C)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981056 722117658 /nfs/dbraw/zinc/11/76/58/722117658.db2.gz SFHCFTPRGAATRX-IAGOWNOFSA-N 1 0 403.914 2.569 20 0 HFADRO COc1ccc2ncc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164979192 722119435 /nfs/dbraw/zinc/11/94/35/722119435.db2.gz PMPRURBEKZTDTH-GCJKJVERSA-N 1 0 405.502 2.761 20 0 HFADRO FC(F)(c1nccnc1Cl)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978063 722136725 /nfs/dbraw/zinc/13/67/25/722136725.db2.gz JMEKBMMCVJWIFY-CVEARBPZSA-N 1 0 409.868 2.797 20 0 HFADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccccn2)n1 ZINC001164980253 722139014 /nfs/dbraw/zinc/13/90/14/722139014.db2.gz MEKIFAMVGVJNQE-IRLDBZIGSA-N 1 0 416.529 2.969 20 0 HFADRO COc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2ccccc21 ZINC001164985488 722139716 /nfs/dbraw/zinc/13/97/16/722139716.db2.gz ZQCJXSLUOZHTIM-RXVVDRJESA-N 1 0 405.502 2.761 20 0 HFADRO CC(C)n1cnc2cnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164984582 722142336 /nfs/dbraw/zinc/14/23/36/722142336.db2.gz XEXKNKJOAVYVLG-UYAOXDASSA-N 1 0 407.522 2.530 20 0 HFADRO c1ccc(-c2cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)nc1 ZINC001164980909 722145040 /nfs/dbraw/zinc/14/50/40/722145040.db2.gz NQCZVJLXBRZLPR-SIKLNZKXSA-N 1 0 402.502 2.661 20 0 HFADRO c1cc2c(nc(C3CC3)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164973052 722154016 /nfs/dbraw/zinc/15/40/16/722154016.db2.gz KNYRYKHKZFGPDU-AZUAARDMSA-N 1 0 404.518 2.958 20 0 HFADRO c1csc(-c2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164972169 722156900 /nfs/dbraw/zinc/15/69/00/722156900.db2.gz GIWOWWJPKHJKLN-ROUUACIJSA-N 1 0 408.531 2.722 20 0 HFADRO COC(=O)c1ncnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1OC ZINC001164996194 722213576 /nfs/dbraw/zinc/21/35/76/722213576.db2.gz MVUOFTANGPGDLT-OAQYLSRUSA-N 1 0 400.454 2.656 20 0 HFADRO COC(=O)c1ncnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1OC ZINC001164996193 722213617 /nfs/dbraw/zinc/21/36/17/722213617.db2.gz MVUOFTANGPGDLT-NRFANRHFSA-N 1 0 400.454 2.656 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cncc(OCC3CCCC3)n1)CCC2 ZINC001165005011 722257948 /nfs/dbraw/zinc/25/79/48/722257948.db2.gz ZUMVIZOHHMCDTG-UHFFFAOYSA-N 1 0 414.554 2.731 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3c(nc1Cl)CCCC3)CCC2 ZINC001165004484 722258204 /nfs/dbraw/zinc/25/82/04/722258204.db2.gz SKAOPBUHJMSZCR-UHFFFAOYSA-N 1 0 404.946 2.694 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000792995937 1078044183 /nfs/dbraw/zinc/04/41/83/1078044183.db2.gz CTFKKUPSJNXVBE-SLYNCCJLSA-N 1 0 414.550 2.817 20 0 HFADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C[N@@H+]1Cc1ccccc1 ZINC000793006953 1078046873 /nfs/dbraw/zinc/04/68/73/1078046873.db2.gz PAFSPZHAIWSKAL-ZFWWWQNUSA-N 1 0 417.307 2.562 20 0 HFADRO C[C@@H]1CN(c2ccc(NC3CC[NH+](CCN4CCOCC4)CC3)cc2)C[C@H](C)O1 ZINC000790504411 1078047291 /nfs/dbraw/zinc/04/72/91/1078047291.db2.gz GASRUBZPVBODDC-BGYRXZFFSA-N 1 0 402.583 2.509 20 0 HFADRO C[C@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000793018370 1078050764 /nfs/dbraw/zinc/05/07/64/1078050764.db2.gz DGHHLYNYQXPCTO-QWHCGFSZSA-N 1 0 409.328 2.552 20 0 HFADRO CN(C(=O)C(=O)Nc1cccc(Br)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793035459 1078052761 /nfs/dbraw/zinc/05/27/61/1078052761.db2.gz XKQKAHIXEDDKHA-HNNXBMFYSA-N 1 0 417.307 2.516 20 0 HFADRO C[C@@H](NC(=O)C(=O)Nc1cccc(Br)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000793050292 1078056630 /nfs/dbraw/zinc/05/66/30/1078056630.db2.gz MDMPLHZAIMWLQV-WBMJQRKESA-N 1 0 405.296 2.590 20 0 HFADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000790567566 1078057449 /nfs/dbraw/zinc/05/74/49/1078057449.db2.gz KUTVLRKEPAISNZ-HXUWFJFHSA-N 1 0 406.490 2.905 20 0 HFADRO COc1cc2c(cc1C[NH2+]Cc1ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc1)OCO2 ZINC000790606171 1078065575 /nfs/dbraw/zinc/06/55/75/1078065575.db2.gz DPUAYNLPLPSTEM-HSZRJFAPSA-N 1 0 423.469 2.939 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001170425455 1078068646 /nfs/dbraw/zinc/06/86/46/1078068646.db2.gz PKIGYLDQFJBYJV-HXUWFJFHSA-N 1 0 409.530 2.846 20 0 HFADRO COCC1(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793059795 1078068907 /nfs/dbraw/zinc/06/89/07/1078068907.db2.gz QGJZERLRBVEDDE-ROUUACIJSA-N 1 0 411.587 2.887 20 0 HFADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1cccc(Br)n1)[NH+](C)C ZINC000793059224 1078069286 /nfs/dbraw/zinc/06/92/86/1078069286.db2.gz WPUXJUFWRQQGKH-CXAGYDPISA-N 1 0 419.323 2.899 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000793098429 1078075387 /nfs/dbraw/zinc/07/53/87/1078075387.db2.gz UPLKCSBHAFOZLO-UHFFFAOYSA-N 1 0 416.909 2.771 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC001170426359 1078084595 /nfs/dbraw/zinc/08/45/95/1078084595.db2.gz RFRGXPBIKBRHQV-MOPGFXCFSA-N 1 0 412.486 2.704 20 0 HFADRO C[C@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793164413 1078085754 /nfs/dbraw/zinc/08/57/54/1078085754.db2.gz WEJPNDVDMIRHTB-IRXDYDNUSA-N 1 0 417.554 2.808 20 0 HFADRO C[C@@H](NC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000793146819 1078089813 /nfs/dbraw/zinc/08/98/13/1078089813.db2.gz BXYIMPCLEMMZBH-VGOFRKELSA-N 1 0 400.523 2.737 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 ZINC000793155555 1078092302 /nfs/dbraw/zinc/09/23/02/1078092302.db2.gz ZBHNIYFKHCCMFQ-UHFFFAOYSA-N 1 0 410.518 2.752 20 0 HFADRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCN(C)C(=O)OCc2ccccc2)C[C@@H](C)O1 ZINC000793183153 1078096032 /nfs/dbraw/zinc/09/60/32/1078096032.db2.gz DVIMNHFJYCLCCI-SBHAEUEKSA-N 1 0 417.550 2.745 20 0 HFADRO Cc1ccc(N2C(=O)C(=O)N(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000772829083 1078099905 /nfs/dbraw/zinc/09/99/05/1078099905.db2.gz RBNJZAJONBRCGL-XLIONFOSSA-N 1 0 410.518 2.505 20 0 HFADRO Cc1c(Cl)cccc1N1CCCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000790707693 1078102691 /nfs/dbraw/zinc/10/26/91/1078102691.db2.gz CILNEJSWPYMWBZ-MSOLQXFVSA-N 1 0 406.958 2.733 20 0 HFADRO COCC1(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793236620 1078103448 /nfs/dbraw/zinc/10/34/48/1078103448.db2.gz JGBMBIBUFQEHFF-GOSISDBHSA-N 1 0 411.587 2.887 20 0 HFADRO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1nnnn1C1CC1 ZINC000790721311 1078108325 /nfs/dbraw/zinc/10/83/25/1078108325.db2.gz IFYQMRGZKVRMDS-HTAPYJJXSA-N 1 0 409.538 2.767 20 0 HFADRO CS(=O)(=O)CC[C@@H]1CCCCN1C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000793247887 1078109607 /nfs/dbraw/zinc/10/96/07/1078109607.db2.gz SUROGPGLHVCNQM-FQEVSTJZSA-N 1 0 423.648 2.815 20 0 HFADRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793273365 1078116045 /nfs/dbraw/zinc/11/60/45/1078116045.db2.gz GWYUFEARPOLHLF-BGYRXZFFSA-N 1 0 424.545 2.911 20 0 HFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000790734029 1078119199 /nfs/dbraw/zinc/11/91/99/1078119199.db2.gz FTJHJTIHAHPXCR-ZDUSSCGKSA-N 1 0 418.933 2.686 20 0 HFADRO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccc21 ZINC000793290327 1078119468 /nfs/dbraw/zinc/11/94/68/1078119468.db2.gz FGJFIWZYHXJHHX-OALUTQOASA-N 1 0 415.534 2.967 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793299861 1078121999 /nfs/dbraw/zinc/12/19/99/1078121999.db2.gz QLCCBBAPXBNKSK-ROUUACIJSA-N 1 0 422.614 2.697 20 0 HFADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)C1 ZINC000790770567 1078129140 /nfs/dbraw/zinc/12/91/40/1078129140.db2.gz RTLSNXGLBQPUPX-ULQDDVLXSA-N 1 0 400.539 2.707 20 0 HFADRO C[C@]1([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793345059 1078131170 /nfs/dbraw/zinc/13/11/70/1078131170.db2.gz XBTQDRAVMJINAR-NRFANRHFSA-N 1 0 402.516 2.981 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793313323 1078133608 /nfs/dbraw/zinc/13/36/08/1078133608.db2.gz VSJKMAKEEYBQCB-SFTDATJTSA-N 1 0 424.545 2.817 20 0 HFADRO Cn1nccc1C[C@H](CNC(=O)OC(C)(C)C)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793323937 1078137520 /nfs/dbraw/zinc/13/75/20/1078137520.db2.gz FLTZUWTUJOYKCA-OAHLLOKOSA-N 1 0 413.478 2.608 20 0 HFADRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 ZINC000747113437 1078138729 /nfs/dbraw/zinc/13/87/29/1078138729.db2.gz WYQWMUNWMHTYNI-SFHVURJKSA-N 1 0 405.539 2.938 20 0 HFADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793333610 1078141639 /nfs/dbraw/zinc/14/16/39/1078141639.db2.gz WIBSZUJJORFQJE-UHFFFAOYSA-N 1 0 419.570 2.612 20 0 HFADRO CSC1(CNC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC[NH+](C)CC1 ZINC000793356185 1078146593 /nfs/dbraw/zinc/14/65/93/1078146593.db2.gz AVCMOVCXIWJZEL-UHFFFAOYSA-N 1 0 417.497 2.898 20 0 HFADRO O=C(Cn1cc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1)NC1CCCCC1 ZINC000747116163 1078161440 /nfs/dbraw/zinc/16/14/40/1078161440.db2.gz DNBPALFJWFGISH-OAQYLSRUSA-N 1 0 410.518 2.763 20 0 HFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000793384925 1078162300 /nfs/dbraw/zinc/16/23/00/1078162300.db2.gz QBKJLJNJCUMCFV-BGYRXZFFSA-N 1 0 410.518 2.521 20 0 HFADRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790884016 1078170313 /nfs/dbraw/zinc/17/03/13/1078170313.db2.gz QJDNVUARFYAXNN-FQOCKNPQSA-N 1 0 404.514 2.992 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000793437858 1078171961 /nfs/dbraw/zinc/17/19/61/1078171961.db2.gz ADWUYBZQVMETRS-ROUUACIJSA-N 1 0 409.571 2.783 20 0 HFADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000793418610 1078177774 /nfs/dbraw/zinc/17/77/74/1078177774.db2.gz YUTIOIJCVMRUPQ-LJQANCHMSA-N 1 0 424.586 2.696 20 0 HFADRO C[NH+]1CCN(c2ccc(NC(=O)CC[C@]3(C)CCC(=O)N3)c(C(F)(F)F)c2)CC1 ZINC000793480138 1078188006 /nfs/dbraw/zinc/18/80/06/1078188006.db2.gz SHGFDAQAZOMNPI-LJQANCHMSA-N 1 0 412.456 2.845 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793484066 1078189359 /nfs/dbraw/zinc/18/93/59/1078189359.db2.gz QHKOSQKHMUMUMO-CMKODMSKSA-N 1 0 422.614 2.649 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)cc1 ZINC000793513300 1078195565 /nfs/dbraw/zinc/19/55/65/1078195565.db2.gz BCJMQJXORQJBCG-DYESRHJHSA-N 1 0 413.493 2.915 20 0 HFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2sc(SC(F)F)nc2C)CC1 ZINC000793493081 1078200692 /nfs/dbraw/zinc/20/06/92/1078200692.db2.gz JTEGYQXLDCLJRZ-GFCCVEGCSA-N 1 0 406.568 2.699 20 0 HFADRO COCC1(C(=O)N2CCC(CC[NH+](C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793492741 1078201059 /nfs/dbraw/zinc/20/10/59/1078201059.db2.gz FBHOFXADMRFQIQ-UHFFFAOYSA-N 1 0 411.587 2.840 20 0 HFADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000793493608 1078201494 /nfs/dbraw/zinc/20/14/94/1078201494.db2.gz ONFVDDMWZWPZOL-INIZCTEOSA-N 1 0 404.555 2.955 20 0 HFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793577770 1078213419 /nfs/dbraw/zinc/21/34/19/1078213419.db2.gz SYNKLRPZFWNBSW-PWRODBHTSA-N 1 0 424.545 2.911 20 0 HFADRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000793606797 1078223777 /nfs/dbraw/zinc/22/37/77/1078223777.db2.gz NLFFOABAQSWPLG-JOCHJYFZSA-N 1 0 416.522 2.916 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000793622586 1078230599 /nfs/dbraw/zinc/23/05/99/1078230599.db2.gz VZMWKYQHMXYONF-OALUTQOASA-N 1 0 419.485 2.708 20 0 HFADRO COC(=O)[C@@]1(NC(=O)COC2CCC(C)CC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000793636377 1078235681 /nfs/dbraw/zinc/23/56/81/1078235681.db2.gz QSIUJKGDSDCGAP-KXNZUKPASA-N 1 0 402.535 2.906 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)[NH+]2CCCC2)cc1 ZINC000793643451 1078239733 /nfs/dbraw/zinc/23/97/33/1078239733.db2.gz MPSIQXROPDGICV-XMSQKQJNSA-N 1 0 409.530 2.618 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ccn(-c2ccccc2)n1 ZINC000793668670 1078246495 /nfs/dbraw/zinc/24/64/95/1078246495.db2.gz YYMAHFHFSYTMLP-UHFFFAOYSA-N 1 0 419.529 2.599 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793689855 1078246913 /nfs/dbraw/zinc/24/69/13/1078246913.db2.gz OQRCNQJXBSPPCY-SFHVURJKSA-N 1 0 401.551 2.731 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000793681065 1078252284 /nfs/dbraw/zinc/25/22/84/1078252284.db2.gz MNGXJHKYGGLVOZ-IBGZPJMESA-N 1 0 401.551 2.685 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000793682329 1078252797 /nfs/dbraw/zinc/25/27/97/1078252797.db2.gz ACPPAHNYYDICQC-LJQANCHMSA-N 1 0 401.551 2.685 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000793681957 1078252876 /nfs/dbraw/zinc/25/28/76/1078252876.db2.gz NWOXPSNSHPGKRX-WOJBJXKFSA-N 1 0 409.530 2.693 20 0 HFADRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000793687800 1078256609 /nfs/dbraw/zinc/25/66/09/1078256609.db2.gz WGINECDZVLRRHP-BZSNNMDCSA-N 1 0 409.571 2.516 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000793658071 1078259562 /nfs/dbraw/zinc/25/95/62/1078259562.db2.gz ZVANOMUSLKCLOG-XQBPLPMBSA-N 1 0 423.557 2.773 20 0 HFADRO COc1ccc(CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)[C@H](C)C2CC2)cc1 ZINC000793716159 1078262993 /nfs/dbraw/zinc/26/29/93/1078262993.db2.gz XKYOSKOSUNZOFR-QZTJIDSGSA-N 1 0 401.551 2.813 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(C)CCCc1cc(-c2ccccc2)no1)[NH+]1CCCCC1 ZINC000793717541 1078264229 /nfs/dbraw/zinc/26/42/29/1078264229.db2.gz MMOJMLWEGXONDG-GOSISDBHSA-N 1 0 412.534 2.723 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)CCC2 ZINC000793718754 1078264552 /nfs/dbraw/zinc/26/45/52/1078264552.db2.gz KFTLTUKHZRCSPE-QZTJIDSGSA-N 1 0 400.548 2.673 20 0 HFADRO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[NH+](C)C)cc1 ZINC000793719580 1078265182 /nfs/dbraw/zinc/26/51/82/1078265182.db2.gz LXYIWTFRTYIQTA-PKTZIBPZSA-N 1 0 423.557 2.998 20 0 HFADRO COc1ccc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c(OC2CCCC2)c1 ZINC000793725934 1078267505 /nfs/dbraw/zinc/26/75/05/1078267505.db2.gz RDCIPBYFLXDBPT-QGZVFWFLSA-N 1 0 417.550 2.623 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C(=O)N2CC=CC2)C2(C1)CCOCC2 ZINC001170436554 1078267932 /nfs/dbraw/zinc/26/79/32/1078267932.db2.gz IYYMJMFFHOSEDS-UXHICEINSA-N 1 0 412.530 2.863 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCC1(c2cccc(Br)c2)CC1)[NH+]1CCCCC1 ZINC000793729450 1078268767 /nfs/dbraw/zinc/26/87/67/1078268767.db2.gz WPDBAEALJQVMNZ-HNNXBMFYSA-N 1 0 422.367 2.588 20 0 HFADRO COc1ccccc1C1(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CCCC1 ZINC000793729416 1078268782 /nfs/dbraw/zinc/26/87/82/1078268782.db2.gz WGUPZJNXAFZOBJ-SFHVURJKSA-N 1 0 401.551 2.614 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000793693006 1078269800 /nfs/dbraw/zinc/26/98/00/1078269800.db2.gz IRSGPMDZEPVOKX-WOJBJXKFSA-N 1 0 401.551 2.685 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000793695187 1078270999 /nfs/dbraw/zinc/27/09/99/1078270999.db2.gz MKRMLKCFJQPCNF-NRFANRHFSA-N 1 0 423.557 2.737 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[NH+]1CCCCC1 ZINC000793694790 1078271172 /nfs/dbraw/zinc/27/11/72/1078271172.db2.gz BMKXAWILDCMDJV-SJORKVTESA-N 1 0 414.575 2.993 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000793695671 1078271898 /nfs/dbraw/zinc/27/18/98/1078271898.db2.gz FBPGRWVAWJWAOA-JXFKEZNVSA-N 1 0 421.969 2.603 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCC1(c2ccc(F)cc2F)CCCC1)[NH+]1CCCCC1 ZINC000793696645 1078272078 /nfs/dbraw/zinc/27/20/78/1078272078.db2.gz HEAUKLVTIRYCLL-INIZCTEOSA-N 1 0 407.505 2.883 20 0 HFADRO COc1cccc(C2(CNC(=O)C(=O)NC[C@H](C)[NH+]3CCCCC3)CCCC2)c1 ZINC000793702150 1078274372 /nfs/dbraw/zinc/27/43/72/1078274372.db2.gz SMDOBFWCTHKRRN-SFHVURJKSA-N 1 0 401.551 2.614 20 0 HFADRO COc1ccc(Cc2nn(CN3CC[C@]4(CC[N@H+](C)C4)C3)c(=S)o2)cc1OC ZINC000793763625 1078281696 /nfs/dbraw/zinc/28/16/96/1078281696.db2.gz DDNBIEBXQDZNJQ-FQEVSTJZSA-N 1 0 404.536 2.799 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000793739321 1078286166 /nfs/dbraw/zinc/28/61/66/1078286166.db2.gz YMVXADNEZHAKHM-PMACEKPBSA-N 1 0 419.541 2.619 20 0 HFADRO Cc1ccc(N2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)[C@@H](C)C2)cc1C ZINC000793739850 1078286836 /nfs/dbraw/zinc/28/68/36/1078286836.db2.gz FGXFGQLNJWSXGD-IBGZPJMESA-N 1 0 414.594 2.720 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000793782064 1078292641 /nfs/dbraw/zinc/29/26/41/1078292641.db2.gz QSUNTYIXDHPRII-LJQANCHMSA-N 1 0 411.546 2.989 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000793807760 1078306293 /nfs/dbraw/zinc/30/62/93/1078306293.db2.gz SOWXYWSVLRHCOA-QRWLVFNGSA-N 1 0 421.476 2.941 20 0 HFADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000793807751 1078306361 /nfs/dbraw/zinc/30/63/61/1078306361.db2.gz SOWXYWSVLRHCOA-FOIQADDNSA-N 1 0 421.476 2.941 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000793790820 1078298094 /nfs/dbraw/zinc/29/80/94/1078298094.db2.gz NYBIYSUPRAWQNE-IPMKNSEASA-N 1 0 401.551 2.648 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000793793328 1078298864 /nfs/dbraw/zinc/29/88/64/1078298864.db2.gz QDCJBNXUNHQDTP-ZJOUEHCJSA-N 1 0 409.530 2.658 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000793793324 1078298965 /nfs/dbraw/zinc/29/89/65/1078298965.db2.gz QDCJBNXUNHQDTP-IRFCIJBXSA-N 1 0 409.530 2.658 20 0 HFADRO C[C@]1(CNC(=O)C(=O)NCCc2ccc(F)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000793821698 1078317706 /nfs/dbraw/zinc/31/77/06/1078317706.db2.gz FZOFFUOBRVYUNI-HSZRJFAPSA-N 1 0 415.484 2.652 20 0 HFADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000793839374 1078311046 /nfs/dbraw/zinc/31/10/46/1078311046.db2.gz CVPNVWCIJLLFLK-IFMALSPDSA-N 1 0 421.541 2.525 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000747149710 1078312083 /nfs/dbraw/zinc/31/20/83/1078312083.db2.gz LOSNASRGWYZLLP-UHFFFAOYSA-N 1 0 422.938 2.716 20 0 HFADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)([NH+](C)C)C1 ZINC000793813961 1078315577 /nfs/dbraw/zinc/31/55/77/1078315577.db2.gz QMGPVCUFKLVDRI-UTSGNWPNSA-N 1 0 415.578 2.585 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)CCC2 ZINC000793815118 1078315868 /nfs/dbraw/zinc/31/58/68/1078315868.db2.gz VVXDTMLVTCGSNY-TVTNDZMWSA-N 1 0 403.571 2.584 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001170437838 1078319185 /nfs/dbraw/zinc/31/91/85/1078319185.db2.gz PZQNKNSWTVRLDI-CGXNFDGLSA-N 1 0 414.546 2.943 20 0 HFADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793870661 1078329260 /nfs/dbraw/zinc/32/92/60/1078329260.db2.gz BRWKWOQXMPDLGL-QGZVFWFLSA-N 1 0 402.583 2.526 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)C1 ZINC000793872290 1078329553 /nfs/dbraw/zinc/32/95/53/1078329553.db2.gz KIBNFIYQXVOEAM-HBFSDRIKSA-N 1 0 419.566 2.946 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c1 ZINC000793868277 1078328173 /nfs/dbraw/zinc/32/81/73/1078328173.db2.gz MPKLZJHDZIHABY-FQEVSTJZSA-N 1 0 411.550 2.726 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000793868370 1078328354 /nfs/dbraw/zinc/32/83/54/1078328354.db2.gz OBAGQOKWGCQZBS-QHCPKHFHSA-N 1 0 423.557 2.727 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](O)c2ccc(OCc3ccccc3)cc2)[C@@H](C)C1 ZINC000793874035 1078330496 /nfs/dbraw/zinc/33/04/96/1078330496.db2.gz KKYLQQOVEHQFKM-YDHSSHFGSA-N 1 0 412.530 2.603 20 0 HFADRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000793899628 1078343527 /nfs/dbraw/zinc/34/35/27/1078343527.db2.gz BGYCTIQLMWZGDP-OPYAIIAOSA-N 1 0 421.557 2.580 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000793951937 1078345936 /nfs/dbraw/zinc/34/59/36/1078345936.db2.gz RIWUCSJHUXHKFH-WSTZPKSXSA-N 1 0 407.599 2.572 20 0 HFADRO COCC1(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793973129 1078349971 /nfs/dbraw/zinc/34/99/71/1078349971.db2.gz ZIHBFAIGMHFYBI-GOSISDBHSA-N 1 0 409.571 2.783 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000793945482 1078354050 /nfs/dbraw/zinc/35/40/50/1078354050.db2.gz DHECAKYGJSIZDY-WOJBJXKFSA-N 1 0 407.599 2.526 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001170440945 1078355260 /nfs/dbraw/zinc/35/52/60/1078355260.db2.gz DXJGVMDFALXLLU-LMVRJCEZSA-N 1 0 410.518 2.658 20 0 HFADRO COCC1(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793982841 1078356006 /nfs/dbraw/zinc/35/60/06/1078356006.db2.gz QUGAXSNJFQHBGC-KRWDZBQOSA-N 1 0 411.587 2.887 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001170441688 1078356303 /nfs/dbraw/zinc/35/63/03/1078356303.db2.gz JMJBBTCUNYWUDO-WMZHIEFXSA-N 1 0 410.518 2.755 20 0 HFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000794258734 1078393371 /nfs/dbraw/zinc/39/33/71/1078393371.db2.gz VAQXUXAFZNTDKU-SFHVURJKSA-N 1 0 424.611 2.655 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cn(-c2ccccc2Br)nn1 ZINC000794210113 1078393872 /nfs/dbraw/zinc/39/38/72/1078393872.db2.gz OLETUUKOIYSUNA-UHFFFAOYSA-N 1 0 404.312 2.777 20 0 HFADRO COc1ccc(CN2CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC2)cc1 ZINC001170444349 1078394715 /nfs/dbraw/zinc/39/47/15/1078394715.db2.gz YPRUQNBGPIYBGS-ISKFKSNPSA-N 1 0 419.610 2.608 20 0 HFADRO O=C(CCCC[NH+]1CCCC1)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000794357333 1078424638 /nfs/dbraw/zinc/42/46/38/1078424638.db2.gz QOZCEUQORQZUDC-GOSISDBHSA-N 1 0 408.340 2.715 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000794338644 1078419515 /nfs/dbraw/zinc/41/95/15/1078419515.db2.gz ILBHIJVMJROYOK-UHFFFAOYSA-N 1 0 404.511 2.576 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000794340279 1078419839 /nfs/dbraw/zinc/41/98/39/1078419839.db2.gz UVQKKIFTGDEISB-UHFFFAOYSA-N 1 0 407.927 2.763 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC000794344012 1078420485 /nfs/dbraw/zinc/42/04/85/1078420485.db2.gz LTXRBRQMIGRTEU-UHFFFAOYSA-N 1 0 408.502 2.635 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000794342879 1078420489 /nfs/dbraw/zinc/42/04/89/1078420489.db2.gz HZZAHIZYWLDLPU-QGZVFWFLSA-N 1 0 406.527 2.678 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000794344622 1078421107 /nfs/dbraw/zinc/42/11/07/1078421107.db2.gz NCEKNRNRCOUGLN-UHFFFAOYSA-N 1 0 406.527 2.822 20 0 HFADRO CC[C@]1(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000794346815 1078421494 /nfs/dbraw/zinc/42/14/94/1078421494.db2.gz XGLAHRZZJZFYMT-JOCHJYFZSA-N 1 0 418.538 2.919 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 ZINC000794346686 1078421561 /nfs/dbraw/zinc/42/15/61/1078421561.db2.gz WLNLMSWCSTYMTC-LJQANCHMSA-N 1 0 422.529 2.717 20 0 HFADRO C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000794382698 1078432239 /nfs/dbraw/zinc/43/22/39/1078432239.db2.gz KIOJOGHIDCYHLO-INIZCTEOSA-N 1 0 401.548 2.593 20 0 HFADRO Cc1nnc(CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)s1 ZINC001129429321 1078461389 /nfs/dbraw/zinc/46/13/89/1078461389.db2.gz LBRPWFHRPCBZEZ-VQTJNVASSA-N 1 0 407.543 2.816 20 0 HFADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC001170460890 1078492261 /nfs/dbraw/zinc/49/22/61/1078492261.db2.gz VWWKHVHWYLOPRT-AWEZNQCLSA-N 1 0 402.366 2.996 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000804441239 1078505144 /nfs/dbraw/zinc/50/51/44/1078505144.db2.gz GJTCPEANXJHGKV-UHFFFAOYSA-N 1 0 411.543 2.558 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)ccc1Cl ZINC001129809361 1078507943 /nfs/dbraw/zinc/50/79/43/1078507943.db2.gz JIVDDRLFKAPIDA-UHFFFAOYSA-N 1 0 415.987 2.975 20 0 HFADRO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC001129810693 1078508325 /nfs/dbraw/zinc/50/83/25/1078508325.db2.gz ZGDBRNUERGODSW-UHFFFAOYSA-N 1 0 406.577 2.919 20 0 HFADRO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000747206151 1078508386 /nfs/dbraw/zinc/50/83/86/1078508386.db2.gz JUNRHEBSWOUHTB-UHFFFAOYSA-N 1 0 411.550 2.552 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000804442487 1078509070 /nfs/dbraw/zinc/50/90/70/1078509070.db2.gz DAZSHOXDIPBOFM-NHCUHLMSSA-N 1 0 424.545 2.913 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001129813285 1078511383 /nfs/dbraw/zinc/51/13/83/1078511383.db2.gz LOAITAXIWGGBKS-XMSQKQJNSA-N 1 0 405.498 2.795 20 0 HFADRO O=Cc1ccc(OCCC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804448540 1078516883 /nfs/dbraw/zinc/51/68/83/1078516883.db2.gz OMDRRMWXBLZJGS-QHCPKHFHSA-N 1 0 421.541 2.687 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC001129515788 1078528259 /nfs/dbraw/zinc/52/82/59/1078528259.db2.gz VXRZAGUFCGLUAM-UHFFFAOYSA-N 1 0 415.987 2.973 20 0 HFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000804696017 1078538186 /nfs/dbraw/zinc/53/81/86/1078538186.db2.gz BLVNNYUTFRLGDE-YWZLYKJASA-N 1 0 409.534 2.524 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2ncc(I)n2c1 ZINC000804526700 1078565864 /nfs/dbraw/zinc/56/58/64/1078565864.db2.gz SNYFMEWYIGMFBB-JSGCOSHPSA-N 1 0 424.286 2.638 20 0 HFADRO CC1=C(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[C@H](C)n2ncnc2N1C ZINC000804533264 1078569791 /nfs/dbraw/zinc/56/97/91/1078569791.db2.gz AWRAQQXXDMQXIK-MBSDFSHPSA-N 1 0 406.534 2.688 20 0 HFADRO CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000804533667 1078571877 /nfs/dbraw/zinc/57/18/77/1078571877.db2.gz IOQJFNLYJZCOJA-CVDCTZTESA-N 1 0 413.518 2.598 20 0 HFADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001129599175 1078573194 /nfs/dbraw/zinc/57/31/94/1078573194.db2.gz LVDBGBHKHXOSSN-KURKYZTESA-N 1 0 411.468 2.720 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CC(N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001170456141 1078576393 /nfs/dbraw/zinc/57/63/93/1078576393.db2.gz OXCYUMAPABGQFP-GOSISDBHSA-N 1 0 417.550 2.973 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000804552999 1078579294 /nfs/dbraw/zinc/57/92/94/1078579294.db2.gz XUJHIHLOOWGKFI-AIADIJKESA-N 1 0 400.441 2.946 20 0 HFADRO Cc1cncn1CC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129611153 1078581874 /nfs/dbraw/zinc/58/18/74/1078581874.db2.gz FIILRSJKLHRYIW-UHFFFAOYSA-N 1 0 401.942 2.658 20 0 HFADRO C[N@H+](CCCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C1CC1 ZINC001129628303 1078601482 /nfs/dbraw/zinc/60/14/82/1078601482.db2.gz LKUUQEVJFCMJQH-CQSZACIVSA-N 1 0 408.340 2.793 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@@H]1C ZINC000804777114 1078603145 /nfs/dbraw/zinc/60/31/45/1078603145.db2.gz QOMBPWLUKDSZCQ-JYJNAYRXSA-N 1 0 403.523 2.903 20 0 HFADRO C[NH+](C)CC1(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCCC1 ZINC000804765436 1078622087 /nfs/dbraw/zinc/62/20/87/1078622087.db2.gz XIXLQHJSOPPPLM-LJQANCHMSA-N 1 0 422.614 2.652 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804831011 1078671820 /nfs/dbraw/zinc/67/18/20/1078671820.db2.gz CKLWIXHSQNCFDW-SIKLNZKXSA-N 1 0 422.573 2.786 20 0 HFADRO Cc1c(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cccc1-c1ccccn1 ZINC001129720941 1078673230 /nfs/dbraw/zinc/67/32/30/1078673230.db2.gz TXSIDOLHEYWOCM-UHFFFAOYSA-N 1 0 408.546 2.583 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(-c3ccccc3OC)on2)CC1 ZINC000804626545 1078675899 /nfs/dbraw/zinc/67/58/99/1078675899.db2.gz LFGYBRZFUDQRFU-UHFFFAOYSA-N 1 0 417.506 2.550 20 0 HFADRO CC[NH+](CC)[C@H](C(=O)NCc1nc2ncccn2n1)c1cccc(C(F)(F)F)c1 ZINC001129971537 1078676476 /nfs/dbraw/zinc/67/64/76/1078676476.db2.gz MKEXWQGCDUUQHG-INIZCTEOSA-N 1 0 406.412 2.842 20 0 HFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)NCc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000804862884 1078688933 /nfs/dbraw/zinc/68/89/33/1078688933.db2.gz RVPXMXYKBQUTKK-OXIVNLASSA-N 1 0 400.544 2.835 20 0 HFADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000804868830 1078692362 /nfs/dbraw/zinc/69/23/62/1078692362.db2.gz FMSORQSHCORJBC-ZHZULCJRSA-N 1 0 412.469 2.692 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804642920 1078695443 /nfs/dbraw/zinc/69/54/43/1078695443.db2.gz AAFXOGQGVOZKFZ-UZLBHIALSA-N 1 0 412.534 2.510 20 0 HFADRO COC[C@]1(CNC(=O)NC2CC[NH+](C(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000804871669 1078694168 /nfs/dbraw/zinc/69/41/68/1078694168.db2.gz QIJKNNXMVQGHRW-OAQYLSRUSA-N 1 0 412.575 2.575 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCc3c(F)cccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000804644050 1078698305 /nfs/dbraw/zinc/69/83/05/1078698305.db2.gz AGCJTHDABCDXDQ-YLJYHZDGSA-N 1 0 409.505 2.880 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000804643989 1078698751 /nfs/dbraw/zinc/69/87/51/1078698751.db2.gz VLEYENLHMBLXPH-KNQAVFIVSA-N 1 0 408.546 2.642 20 0 HFADRO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747219416 1078705581 /nfs/dbraw/zinc/70/55/81/1078705581.db2.gz COXWGQDENAVRTB-KRWDZBQOSA-N 1 0 412.408 2.989 20 0 HFADRO C[C@H](OCCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001129742902 1078716281 /nfs/dbraw/zinc/71/62/81/1078716281.db2.gz WWTNRTNTFJRZSS-IBGZPJMESA-N 1 0 423.557 2.648 20 0 HFADRO COCc1cc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)ccc1F ZINC000804918071 1078740196 /nfs/dbraw/zinc/74/01/96/1078740196.db2.gz VVOFDNIOJDGRQT-UHFFFAOYSA-N 1 0 405.514 2.502 20 0 HFADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC001170469880 1078758436 /nfs/dbraw/zinc/75/84/36/1078758436.db2.gz SGSFPYIUXKGIOR-UHFFFAOYSA-N 1 0 417.550 2.882 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000804902070 1078758532 /nfs/dbraw/zinc/75/85/32/1078758532.db2.gz SNOBJSJFIIRWNO-CNNODRBYSA-N 1 0 403.567 2.949 20 0 HFADRO COC(=O)Nc1cccc(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000804945438 1078773701 /nfs/dbraw/zinc/77/37/01/1078773701.db2.gz DKXWHBCUFMFDHV-UHFFFAOYSA-N 1 0 400.479 2.805 20 0 HFADRO CC[C@H]1CC([NH2+]CCC(=O)N2CCN(C)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170471709 1078781534 /nfs/dbraw/zinc/78/15/34/1078781534.db2.gz UQMMIXXZGFICDX-OALUTQOASA-N 1 0 410.603 2.697 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000804971732 1078807234 /nfs/dbraw/zinc/80/72/34/1078807234.db2.gz MFXQLHDTEPRIKE-UHFFFAOYSA-N 1 0 407.558 2.856 20 0 HFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)OC[C@@H]2CCCO2)CC1 ZINC000805015891 1078826108 /nfs/dbraw/zinc/82/61/08/1078826108.db2.gz CYASUEHCGMYKNS-INIZCTEOSA-N 1 0 401.429 2.862 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170473154 1078816943 /nfs/dbraw/zinc/81/69/43/1078816943.db2.gz DIAUWNDMJGLSAD-QUSNUVHPSA-N 1 0 413.559 2.599 20 0 HFADRO CSCC[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000805021737 1078832451 /nfs/dbraw/zinc/83/24/51/1078832451.db2.gz WCOBBBLJGCIJML-OAHLLOKOSA-N 1 0 411.999 2.926 20 0 HFADRO O=C(Cn1cc(Br)cn1)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001130042835 1078845087 /nfs/dbraw/zinc/84/50/87/1078845087.db2.gz SJVAELFAGRFLMN-IEBWSBKVSA-N 1 0 403.324 2.914 20 0 HFADRO CC[C@@H]1CC([NH2+]C2CCN(CC(=O)NC)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170473964 1078853249 /nfs/dbraw/zinc/85/32/49/1078853249.db2.gz HAZWYFFJDLIFON-RTBURBONSA-N 1 0 410.603 2.743 20 0 HFADRO C[C@@H](CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000805104582 1078888280 /nfs/dbraw/zinc/88/82/80/1078888280.db2.gz XEBIWDKOZHRKBE-YXMSTPNBSA-N 1 0 406.493 2.594 20 0 HFADRO COc1c(F)cc(Br)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805110751 1078895117 /nfs/dbraw/zinc/89/51/17/1078895117.db2.gz HAIFSCCMUJSNQL-BXUZGUMPSA-N 1 0 421.332 2.844 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(F)cc1Cl ZINC000805111553 1078896096 /nfs/dbraw/zinc/89/60/96/1078896096.db2.gz YGRXYPNGRUQBNV-IAQYHMDHSA-N 1 0 404.891 2.513 20 0 HFADRO CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000805074721 1078906624 /nfs/dbraw/zinc/90/66/24/1078906624.db2.gz OIEOUVMXCSMGSF-DOTOQJQBSA-N 1 0 401.429 2.632 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CCOCC1 ZINC000805138724 1078935610 /nfs/dbraw/zinc/93/56/10/1078935610.db2.gz CROJULKQHUCGIG-OAQYLSRUSA-N 1 0 424.586 2.530 20 0 HFADRO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747232018 1078949988 /nfs/dbraw/zinc/94/99/88/1078949988.db2.gz PTXRFFLQUYTDRD-BDTNDASRSA-N 1 0 407.514 2.527 20 0 HFADRO Cc1ccc(-n2ncc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2C(F)(F)F)cc1 ZINC000747231749 1078950622 /nfs/dbraw/zinc/95/06/22/1078950622.db2.gz NFLPGFFYSSUZPH-HOTGVXAUSA-N 1 0 408.424 2.793 20 0 HFADRO CN(CCN(CC[NH+]1CCCC1)C(=O)/C=C/c1ccco1)C(=O)/C=C/c1ccco1 ZINC000805201176 1078953074 /nfs/dbraw/zinc/95/30/74/1078953074.db2.gz AEZKQKCPLQQHDO-GFULKKFKSA-N 1 0 411.502 2.982 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000805176747 1078962178 /nfs/dbraw/zinc/96/21/78/1078962178.db2.gz NQIJCEXIWYRWOD-YLJYHZDGSA-N 1 0 402.539 2.817 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000805179815 1078964241 /nfs/dbraw/zinc/96/42/41/1078964241.db2.gz RVOCSZJEIVFSRA-XZOQPEGZSA-N 1 0 410.562 2.570 20 0 HFADRO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cnn1-c1ccc(Br)cc1 ZINC000747231431 1078966836 /nfs/dbraw/zinc/96/68/36/1078966836.db2.gz KNFFVISDISQQDT-IRXDYDNUSA-N 1 0 419.323 2.536 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000805199137 1078971756 /nfs/dbraw/zinc/97/17/56/1078971756.db2.gz XFCMIQAHEPYOON-QFIPXVFZSA-N 1 0 414.937 2.831 20 0 HFADRO Cc1cccc(-n2ncc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2C(F)(F)F)c1 ZINC000747235899 1079004541 /nfs/dbraw/zinc/00/45/41/1079004541.db2.gz JDVFDYXMPDKMOA-HOTGVXAUSA-N 1 0 408.424 2.793 20 0 HFADRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001170479645 1079017204 /nfs/dbraw/zinc/01/72/04/1079017204.db2.gz KMLPMVFHDRLCCC-DHIUTWEWSA-N 1 0 414.550 2.862 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000805333219 1079023309 /nfs/dbraw/zinc/02/33/09/1079023309.db2.gz GPFRHHWONKLQTE-DNVCBOLYSA-N 1 0 411.543 2.553 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccn2c(I)cnc12 ZINC000805334590 1079023978 /nfs/dbraw/zinc/02/39/78/1079023978.db2.gz XOGFHTCVNMTXMI-GXTWGEPZSA-N 1 0 424.286 2.638 20 0 HFADRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000805335967 1079024361 /nfs/dbraw/zinc/02/43/61/1079024361.db2.gz YSPAFSHGOUGDRH-YOEHRIQHSA-N 1 0 411.543 2.601 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000805397740 1079039365 /nfs/dbraw/zinc/03/93/65/1079039365.db2.gz UORDOPSJLMHLKT-LPHOPBHVSA-N 1 0 413.440 2.646 20 0 HFADRO COC(=O)C[C@@H](C)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC001130168666 1079049700 /nfs/dbraw/zinc/04/97/00/1079049700.db2.gz GUVXTWWOZHQANH-ZDUSSCGKSA-N 1 0 414.344 2.975 20 0 HFADRO COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@@H](C)C[NH+](C)C)C(=O)OC2 ZINC000805423835 1079056721 /nfs/dbraw/zinc/05/67/21/1079056721.db2.gz YPWSZSMGONMOLE-GUNGLEHYSA-N 1 0 404.507 2.715 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c(Cl)cc1Cl ZINC000747246603 1079123130 /nfs/dbraw/zinc/12/31/30/1079123130.db2.gz FRRCOYXQFONOSY-LLVKDONJSA-N 1 0 409.335 2.790 20 0 HFADRO COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000805572044 1079143639 /nfs/dbraw/zinc/14/36/39/1079143639.db2.gz VXTYITFWNCWZAD-GDBMZVCRSA-N 1 0 411.445 2.844 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000747253101 1079160130 /nfs/dbraw/zinc/16/01/30/1079160130.db2.gz IFOGXCYHYMSRNW-QGZVFWFLSA-N 1 0 420.506 2.803 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000747254178 1079168123 /nfs/dbraw/zinc/16/81/23/1079168123.db2.gz NWCRYJISRHJCRZ-ZYHRSPDJSA-N 1 0 414.527 2.987 20 0 HFADRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)C1 ZINC001130300782 1079192207 /nfs/dbraw/zinc/19/22/07/1079192207.db2.gz DIYYXOOMQJITHL-UIFIKXQLSA-N 1 0 419.591 2.854 20 0 HFADRO CN(CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(Br)s1 ZINC001130301345 1079193247 /nfs/dbraw/zinc/19/32/47/1079193247.db2.gz LRKPJWZIDOUWME-CHWSQXEVSA-N 1 0 414.369 2.716 20 0 HFADRO CN(CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Br)s1 ZINC001130301348 1079193269 /nfs/dbraw/zinc/19/32/69/1079193269.db2.gz LRKPJWZIDOUWME-STQMWFEESA-N 1 0 414.369 2.716 20 0 HFADRO CSCC[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1C(=O)c2ccccc2C1=O ZINC001130301505 1079193795 /nfs/dbraw/zinc/19/37/95/1079193795.db2.gz POYXBPAJVWOLIC-GUDVDZBRSA-N 1 0 415.559 2.537 20 0 HFADRO CCOc1cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)nc(SC)n1 ZINC001170486095 1079206504 /nfs/dbraw/zinc/20/65/04/1079206504.db2.gz CTXWAZPRWVEPMM-QQFBHYJXSA-N 1 0 415.563 2.969 20 0 HFADRO CSc1ncc2ncnc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)c2n1 ZINC001170486441 1079210135 /nfs/dbraw/zinc/21/01/35/1079210135.db2.gz KHIZLYOUONMTPQ-WLYUNCDWSA-N 1 0 423.546 2.513 20 0 HFADRO Cc1ccc(CC(=O)O[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000805666954 1079210786 /nfs/dbraw/zinc/21/07/86/1079210786.db2.gz YYBNUTOLYACDME-QFBILLFUSA-N 1 0 415.921 2.908 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3nc(Cl)nc4c3CCCN4)cc2)CC1 ZINC001170486767 1079215503 /nfs/dbraw/zinc/21/55/03/1079215503.db2.gz OZMUBTLRLXYGRZ-WLYUNCDWSA-N 1 0 414.941 2.860 20 0 HFADRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805749952 1079230389 /nfs/dbraw/zinc/23/03/89/1079230389.db2.gz VJFJCJUEHYQSQG-MJGOQNOKSA-N 1 0 402.539 2.934 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000747266172 1079235394 /nfs/dbraw/zinc/23/53/94/1079235394.db2.gz HDSRMCJOTKXMPM-WKOYGUFESA-N 1 0 402.516 2.672 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)CC1 ZINC000805741434 1079243983 /nfs/dbraw/zinc/24/39/83/1079243983.db2.gz FMRCEMBDDSJXHT-JOCHJYFZSA-N 1 0 414.594 2.660 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000805762777 1079265038 /nfs/dbraw/zinc/26/50/38/1079265038.db2.gz UFBHFPGYPAOSFG-HNNXBMFYSA-N 1 0 424.929 2.710 20 0 HFADRO CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000805768201 1079270481 /nfs/dbraw/zinc/27/04/81/1079270481.db2.gz UNAAQZMIPWHNJI-SIKLNZKXSA-N 1 0 409.578 2.974 20 0 HFADRO COC[C@]1(C)CC[N@H+](C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)C1 ZINC001170488899 1079274869 /nfs/dbraw/zinc/27/48/69/1079274869.db2.gz BJNSJFXPHFWOKB-PKOBYXMFSA-N 1 0 400.441 2.525 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000805832599 1079271745 /nfs/dbraw/zinc/27/17/45/1079271745.db2.gz JEGBIJIQNQNPDI-UHFFFAOYSA-N 1 0 402.539 2.691 20 0 HFADRO C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC001130393004 1079273819 /nfs/dbraw/zinc/27/38/19/1079273819.db2.gz DICQHXJZOFVJIZ-UUOWRZLLSA-N 1 0 407.514 2.971 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000805763788 1079265455 /nfs/dbraw/zinc/26/54/55/1079265455.db2.gz PMKZWJMKJNBOQS-DLBZAZTESA-N 1 0 422.522 2.924 20 0 HFADRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000805766600 1079267313 /nfs/dbraw/zinc/26/73/13/1079267313.db2.gz AGIRMSVOKJEDLP-DYESRHJHSA-N 1 0 410.518 2.707 20 0 HFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)C[N@H+](C)[C@H](C)[C@@H]3C)CC2)cc1C ZINC001130369981 1079268593 /nfs/dbraw/zinc/26/85/93/1079268593.db2.gz LOMRWUQUIMROML-QRVBRYPASA-N 1 0 421.607 2.644 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130370449 1079269959 /nfs/dbraw/zinc/26/99/59/1079269959.db2.gz OLWYKSSIXFLEQP-QRVBRYPASA-N 1 0 421.607 2.733 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCN(CC(=O)N(C)C)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170488952 1079275327 /nfs/dbraw/zinc/27/53/27/1079275327.db2.gz AIBCKQZXIYJGQN-REPLKXPHSA-N 1 0 410.603 2.649 20 0 HFADRO CC[C@H]1CC([NH+]2CCC3(CC2)CNC(=O)CO3)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170489613 1079293790 /nfs/dbraw/zinc/29/37/90/1079293790.db2.gz CKZJERYHBFEJBK-IRXDYDNUSA-N 1 0 409.571 2.924 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000805831822 1079300316 /nfs/dbraw/zinc/30/03/16/1079300316.db2.gz SQISFMPPPJELGF-MSOLQXFVSA-N 1 0 402.539 2.769 20 0 HFADRO CCOC(=O)c1sc2nc(C[NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)nc(N)c2c1C ZINC001170490468 1079317264 /nfs/dbraw/zinc/31/72/64/1079317264.db2.gz MHINHYCDCHSMST-BBRMVZONSA-N 1 0 404.536 2.645 20 0 HFADRO CCOC(=O)CN1CCC(COC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000805878854 1079318865 /nfs/dbraw/zinc/31/88/65/1079318865.db2.gz VKITYWDZZIGHGE-UHFFFAOYSA-N 1 0 402.535 2.717 20 0 HFADRO CC[NH+](CC)Cc1ccc(C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000805887856 1079339239 /nfs/dbraw/zinc/33/92/39/1079339239.db2.gz IUVVGJGSUBSVAB-UHFFFAOYSA-N 1 0 401.551 2.630 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000805940742 1079343217 /nfs/dbraw/zinc/34/32/17/1079343217.db2.gz BDHJGQFSNYXMKB-KNQAVFIVSA-N 1 0 411.546 2.514 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000805941896 1079344309 /nfs/dbraw/zinc/34/43/09/1079344309.db2.gz CFGJAUNFBAORJY-WMZHIEFXSA-N 1 0 423.557 2.907 20 0 HFADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cn(Cc2ccccn2)nn1 ZINC001130458984 1079382735 /nfs/dbraw/zinc/38/27/35/1079382735.db2.gz YBQNLIPEXSQRDP-GBESFXJTSA-N 1 0 404.518 2.845 20 0 HFADRO CC(C)NC(=O)c1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130527147 1079435937 /nfs/dbraw/zinc/43/59/37/1079435937.db2.gz ACNLFLFFLKMBKD-XZOQPEGZSA-N 1 0 421.541 2.940 20 0 HFADRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130518223 1079449443 /nfs/dbraw/zinc/44/94/43/1079449443.db2.gz ILSABPOKXLRZIM-UXHICEINSA-N 1 0 405.564 2.608 20 0 HFADRO Cc1cccc2nc(C(=O)Nc3ccc(OCCCN4CC[NH+](C)CC4)cc3)cn21 ZINC001130542175 1079462854 /nfs/dbraw/zinc/46/28/54/1079462854.db2.gz QXDINPGFAMZZMP-UHFFFAOYSA-N 1 0 407.518 2.911 20 0 HFADRO CC(C)n1cc([C@@H](C)NC(=O)C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000806158344 1079471753 /nfs/dbraw/zinc/47/17/53/1079471753.db2.gz XYDDOUMKQZAFBM-JPYJTQIMSA-N 1 0 411.550 2.670 20 0 HFADRO C[C@H](C[C@@H](C)[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000806183192 1079478027 /nfs/dbraw/zinc/47/80/27/1079478027.db2.gz OYAAWBLOZIRLDG-ZACQAIPSSA-N 1 0 411.568 2.731 20 0 HFADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000787332481 1076744897 /nfs/dbraw/zinc/74/48/97/1076744897.db2.gz LNDJXQIMLBDQKC-JENIJYKNSA-N 1 0 424.586 2.527 20 0 HFADRO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000787335848 1076746666 /nfs/dbraw/zinc/74/66/66/1076746666.db2.gz VWOARKMIXJMFFG-KSZLIROESA-N 1 0 424.586 2.669 20 0 HFADRO Cc1cccc(C2N=NC(=S)N2CC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000787335360 1076747079 /nfs/dbraw/zinc/74/70/79/1076747079.db2.gz JXNNEPJHSUIXHZ-UHFFFAOYSA-N 1 0 409.559 2.963 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC1 ZINC000746675357 1076748702 /nfs/dbraw/zinc/74/87/02/1076748702.db2.gz UAGJXHZOROFWIF-UHFFFAOYSA-N 1 0 416.547 2.670 20 0 HFADRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000787308321 1076755841 /nfs/dbraw/zinc/75/58/41/1076755841.db2.gz PPQDMQYRXAEGKG-MRXNPFEDSA-N 1 0 405.539 2.629 20 0 HFADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000787308317 1076755911 /nfs/dbraw/zinc/75/59/11/1076755911.db2.gz PPQDMQYRXAEGKG-INIZCTEOSA-N 1 0 405.539 2.629 20 0 HFADRO C[C@@H]1CN(C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000787315103 1076759448 /nfs/dbraw/zinc/75/94/48/1076759448.db2.gz VHJXZWUUKMOIKI-MRXNPFEDSA-N 1 0 405.539 2.629 20 0 HFADRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787323177 1076767056 /nfs/dbraw/zinc/76/70/56/1076767056.db2.gz AOOIKWLQMPKNQK-WIEQDCTASA-N 1 0 400.475 2.773 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1)[NH+]1CCCCC1 ZINC000787365515 1076774932 /nfs/dbraw/zinc/77/49/32/1076774932.db2.gz QVPPTLQBCPXINF-FQEVSTJZSA-N 1 0 407.558 2.947 20 0 HFADRO C[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@H]1c1cccc(F)c1 ZINC000746679595 1076775008 /nfs/dbraw/zinc/77/50/08/1076775008.db2.gz PXEGWWTUQYOUSU-DNVCBOLYSA-N 1 0 416.497 2.885 20 0 HFADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787370717 1076777558 /nfs/dbraw/zinc/77/75/58/1076777558.db2.gz CJUJZJBGVPGZPY-JKSUJKDBSA-N 1 0 405.543 2.548 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)n[nH]2)C1 ZINC000787379926 1076779677 /nfs/dbraw/zinc/77/96/77/1076779677.db2.gz AKNXLUMPKAWXFB-SJORKVTESA-N 1 0 417.554 2.692 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)n[nH]2)C1 ZINC000787337952 1076782845 /nfs/dbraw/zinc/78/28/45/1076782845.db2.gz USYDCCJTFNXDQB-SJORKVTESA-N 1 0 417.554 2.835 20 0 HFADRO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000787418971 1076799425 /nfs/dbraw/zinc/79/94/25/1076799425.db2.gz RLICRGLLPBEWGN-DEOSSOPVSA-N 1 0 420.513 2.871 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787390928 1076805622 /nfs/dbraw/zinc/80/56/22/1076805622.db2.gz PFELHBZHEZEVEP-QGZVFWFLSA-N 1 0 419.570 2.986 20 0 HFADRO [NH3+]CCN(c1cnc(-c2ccccc2)nc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170073753 1076818471 /nfs/dbraw/zinc/81/84/71/1076818471.db2.gz LEMQMLXOQVHIEU-UHFFFAOYSA-N 1 0 405.483 2.846 20 0 HFADRO O=C(Nc1ccc(-c2ccco2)cc1F)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787501719 1076827447 /nfs/dbraw/zinc/82/74/47/1076827447.db2.gz NAEPIIGDKOFULW-QGZVFWFLSA-N 1 0 415.465 2.784 20 0 HFADRO [NH3+]CCN(c1cc(O)ccc1Br)S(=O)(=O)c1cccc2cnccc21 ZINC001170074372 1076840993 /nfs/dbraw/zinc/84/09/93/1076840993.db2.gz GCLTWOLGMKNMLV-UHFFFAOYSA-N 1 0 422.304 2.857 20 0 HFADRO CC1=CC[N@H+](CCNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787525631 1076847497 /nfs/dbraw/zinc/84/74/97/1076847497.db2.gz QEEPXZLVPSGGSA-MRXNPFEDSA-N 1 0 403.527 2.516 20 0 HFADRO CC1=CC[N@H+](CCNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787525629 1076847569 /nfs/dbraw/zinc/84/75/69/1076847569.db2.gz QEEPXZLVPSGGSA-INIZCTEOSA-N 1 0 403.527 2.516 20 0 HFADRO CC1(C)c2ccc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)cc2NC1=O ZINC001170074436 1076857940 /nfs/dbraw/zinc/85/79/40/1076857940.db2.gz IQBURFWHYBUCSZ-UHFFFAOYSA-N 1 0 410.499 2.619 20 0 HFADRO COCC[NH+](CCOC)C1CCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC001170075088 1076866199 /nfs/dbraw/zinc/86/61/99/1076866199.db2.gz OXFMCONZFPIYEC-CALCHBBNSA-N 1 0 408.505 2.983 20 0 HFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787580108 1076870959 /nfs/dbraw/zinc/87/09/59/1076870959.db2.gz CBFLCUJKEAESAW-JKSUJKDBSA-N 1 0 405.543 2.690 20 0 HFADRO Cn1cncc1-c1cccc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1 ZINC001170075455 1076875040 /nfs/dbraw/zinc/87/50/40/1076875040.db2.gz YMKLIXCTRLQANT-UHFFFAOYSA-N 1 0 407.499 2.789 20 0 HFADRO Cc1cc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)cc(OC(F)F)n1 ZINC001170075469 1076876274 /nfs/dbraw/zinc/87/62/74/1076876274.db2.gz ZNVDSBWIUMDLFU-UHFFFAOYSA-N 1 0 408.430 2.694 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCc1ccc([C@@H](C)O)cc1)c1ccsc1 ZINC000787615248 1076879073 /nfs/dbraw/zinc/87/90/73/1076879073.db2.gz IEXMSQBDNLVKAZ-BEFAXECRSA-N 1 0 403.548 2.617 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCc2ccccc2OC1)c1ccsc1 ZINC000787616069 1076879674 /nfs/dbraw/zinc/87/96/74/1076879674.db2.gz KTSYCMNUFJSOJU-MOPGFXCFSA-N 1 0 415.559 2.757 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCc2ccccc2OC1)c1ccsc1 ZINC000787616074 1076879836 /nfs/dbraw/zinc/87/98/36/1076879836.db2.gz KTSYCMNUFJSOJU-RBUKOAKNSA-N 1 0 415.559 2.757 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCc2c(F)cccc2C1)c1ccsc1 ZINC000787616531 1076880164 /nfs/dbraw/zinc/88/01/64/1076880164.db2.gz NNFWBKQSXIPDFG-LJQANCHMSA-N 1 0 403.523 2.971 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(Cl)nc1)c1ccsc1 ZINC000787618813 1076880962 /nfs/dbraw/zinc/88/09/62/1076880962.db2.gz ZBUYIHWSCHNVQK-MRXNPFEDSA-N 1 0 408.955 2.954 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000746700970 1076881330 /nfs/dbraw/zinc/88/13/30/1076881330.db2.gz BQOVDJAZFKSGHU-MAODMQOUSA-N 1 0 408.564 2.880 20 0 HFADRO C[N@H+]1C[C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C[C@H]2C1 ZINC000787633977 1076885526 /nfs/dbraw/zinc/88/55/26/1076885526.db2.gz BRCCNEINCWUKPJ-BDTNDASRSA-N 1 0 407.514 2.544 20 0 HFADRO C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1cccc(OC(F)(F)F)c1 ZINC000787674492 1076890105 /nfs/dbraw/zinc/89/01/05/1076890105.db2.gz HRILGBLJYYYGTJ-UONOGXRCSA-N 1 0 401.429 2.611 20 0 HFADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668845 1076905200 /nfs/dbraw/zinc/90/52/00/1076905200.db2.gz HPOAZHXSCLPLJI-DOTOQJQBSA-N 1 0 411.468 2.869 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000787681482 1076909518 /nfs/dbraw/zinc/90/95/18/1076909518.db2.gz CSIKPWMHXYXBBJ-ZSYKKXJESA-N 1 0 423.513 2.762 20 0 HFADRO Cc1ccccc1C[NH+]1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787690435 1076912824 /nfs/dbraw/zinc/91/28/24/1076912824.db2.gz YKDZEVOVPGDIFX-NZQKXSOJSA-N 1 0 403.567 2.873 20 0 HFADRO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000787692842 1076914690 /nfs/dbraw/zinc/91/46/90/1076914690.db2.gz XVRDDIYQMPYTNM-URXFXBBRSA-N 1 0 403.530 2.635 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)cc1 ZINC000787709427 1076921105 /nfs/dbraw/zinc/92/11/05/1076921105.db2.gz WZSIOUKBPPEZJN-QHAWAJNXSA-N 1 0 414.594 2.564 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([N@@H+]2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000787710565 1076922245 /nfs/dbraw/zinc/92/22/45/1076922245.db2.gz LWOXMIFQLIVFJD-LAUBAEHRSA-N 1 0 423.579 2.656 20 0 HFADRO Cc1occc1C(=O)NC1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787716323 1076924088 /nfs/dbraw/zinc/92/40/88/1076924088.db2.gz HDKHWNYTNAYEIJ-AVRDEDQJSA-N 1 0 421.538 2.543 20 0 HFADRO Cc1cc(C(=O)NC2CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC2)c(C)o1 ZINC000787718478 1076924623 /nfs/dbraw/zinc/92/46/23/1076924623.db2.gz QVSDYLZZPSWKBL-UHFFFAOYSA-N 1 0 409.527 2.632 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000787717924 1076924943 /nfs/dbraw/zinc/92/49/43/1076924943.db2.gz OWCLJTMPJALTOL-UHFFFAOYSA-N 1 0 405.495 2.543 20 0 HFADRO CC(C)(C)OC(=O)NCCOCC[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000787718653 1076925260 /nfs/dbraw/zinc/92/52/60/1076925260.db2.gz SFXTVNMVALKMCO-UHFFFAOYSA-N 1 0 409.502 2.515 20 0 HFADRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000787754518 1076927705 /nfs/dbraw/zinc/92/77/05/1076927705.db2.gz ABRLAZQAGOHAMQ-GOSISDBHSA-N 1 0 417.531 2.520 20 0 HFADRO CC(C)(O)c1ccc(CNC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000787752950 1076927748 /nfs/dbraw/zinc/92/77/48/1076927748.db2.gz WUNBXANNRDKURV-JOCHJYFZSA-N 1 0 423.557 2.874 20 0 HFADRO CC(C)(C)OC(=O)N1CC([NH2+][C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000787754318 1076928020 /nfs/dbraw/zinc/92/80/20/1076928020.db2.gz LMOCPRAJEOBTSU-IAGOWNOFSA-N 1 0 411.543 2.610 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000787755631 1076928623 /nfs/dbraw/zinc/92/86/23/1076928623.db2.gz AGOFRSNOOFGZSE-UHFFFAOYSA-N 1 0 413.559 2.804 20 0 HFADRO O=C(NCc1cnc(N2CCOCC2)s1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000787757212 1076928645 /nfs/dbraw/zinc/92/86/45/1076928645.db2.gz SXDYQCZNZMBWEJ-QGZVFWFLSA-N 1 0 418.538 2.647 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCN1C(=O)OC(C)(C)C ZINC000787759399 1076929058 /nfs/dbraw/zinc/92/90/58/1076929058.db2.gz GDCTWNZBHFQXBC-RZFLPCETSA-N 1 0 408.539 2.865 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000787760898 1076929949 /nfs/dbraw/zinc/92/99/49/1076929949.db2.gz RKXPUOLDSNIDEB-UHFFFAOYSA-N 1 0 415.987 2.928 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000787765315 1076930842 /nfs/dbraw/zinc/93/08/42/1076930842.db2.gz MJDAGVWEAWCHDG-UYRXBGFRSA-N 1 0 421.607 2.889 20 0 HFADRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cn1 ZINC000787764101 1076930868 /nfs/dbraw/zinc/93/08/68/1076930868.db2.gz YHXBDNLQOIVZIG-ZDUSSCGKSA-N 1 0 402.296 2.678 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000787764871 1076931261 /nfs/dbraw/zinc/93/12/61/1076931261.db2.gz YSNXMLSGZHPZOA-UHFFFAOYSA-N 1 0 405.358 2.657 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787734668 1076935271 /nfs/dbraw/zinc/93/52/71/1076935271.db2.gz COXVLEQGOVHQDU-SIKLNZKXSA-N 1 0 409.530 2.914 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)no1 ZINC000787736593 1076936410 /nfs/dbraw/zinc/93/64/10/1076936410.db2.gz MECJUSUOBPARRB-LEWJYISDSA-N 1 0 410.518 2.990 20 0 HFADRO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000787768546 1076941587 /nfs/dbraw/zinc/94/15/87/1076941587.db2.gz ZGXZOWXYZADSNC-CDHQVMDDSA-N 1 0 421.538 2.932 20 0 HFADRO CC(C)n1cc(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cn1 ZINC000787818989 1076953203 /nfs/dbraw/zinc/95/32/03/1076953203.db2.gz PUMRYYXRXMTEHX-UHFFFAOYSA-N 1 0 402.520 2.808 20 0 HFADRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000787852185 1076964293 /nfs/dbraw/zinc/96/42/93/1076964293.db2.gz PEHBRLCMKHBCQV-GOSISDBHSA-N 1 0 414.575 2.562 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000787875924 1076971954 /nfs/dbraw/zinc/97/19/54/1076971954.db2.gz YUGQCWBGBUTPSG-UHFFFAOYSA-N 1 0 422.529 2.910 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCCc3ccccc32)cc1 ZINC000787883141 1076976458 /nfs/dbraw/zinc/97/64/58/1076976458.db2.gz HHGVVLXREQAMIP-DEOSSOPVSA-N 1 0 409.530 2.807 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1 ZINC000787884319 1076976950 /nfs/dbraw/zinc/97/69/50/1076976950.db2.gz URGAYXRNZPNOKC-MGPUTAFESA-N 1 0 401.482 2.844 20 0 HFADRO CCCn1c(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc2ccccc21 ZINC000787867922 1076988015 /nfs/dbraw/zinc/98/80/15/1076988015.db2.gz AOMQDDNMRJKKPC-IBGZPJMESA-N 1 0 415.534 2.681 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCC[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000787904269 1076988610 /nfs/dbraw/zinc/98/86/10/1076988610.db2.gz QVPRXMXDSQZFTG-NHCUHLMSSA-N 1 0 414.594 2.851 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000787913628 1076992665 /nfs/dbraw/zinc/99/26/65/1076992665.db2.gz WVNQQFMUVZMEBF-CTNGQTDRSA-N 1 0 403.567 2.505 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000787916671 1076994257 /nfs/dbraw/zinc/99/42/57/1076994257.db2.gz YIRGTSUOOCGTJR-RVKKMQEKSA-N 1 0 406.596 2.819 20 0 HFADRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000787920105 1076997169 /nfs/dbraw/zinc/99/71/69/1076997169.db2.gz SXOLYCBMJAYVIV-OAHLLOKOSA-N 1 0 416.522 2.517 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000787919753 1076997403 /nfs/dbraw/zinc/99/74/03/1076997403.db2.gz LJSKYYMCWHHSFW-UHFFFAOYSA-N 1 0 416.566 2.830 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000787967621 1077011519 /nfs/dbraw/zinc/01/15/19/1077011519.db2.gz FAMUCZVEDRBWLB-IAGOWNOFSA-N 1 0 422.545 2.568 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C(=O)N3CCCCCCC3)CC2)c1 ZINC000788050139 1077041900 /nfs/dbraw/zinc/04/19/00/1077041900.db2.gz RKUJYAKZHWDXJG-UHFFFAOYSA-N 1 0 414.594 2.806 20 0 HFADRO Cc1ccc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1N1CCOC1=O ZINC000746730696 1077070730 /nfs/dbraw/zinc/07/07/30/1077070730.db2.gz JLMSAATWRDGNOS-UHFFFAOYSA-N 1 0 416.522 2.918 20 0 HFADRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1N1CCOC1=O ZINC000746732532 1077070838 /nfs/dbraw/zinc/07/08/38/1077070838.db2.gz KJEXHWUWCBPPPI-INIZCTEOSA-N 1 0 402.495 2.574 20 0 HFADRO COc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cnc1Br ZINC000788167824 1077073114 /nfs/dbraw/zinc/07/31/14/1077073114.db2.gz WHVCWRYHPGUAIE-UHFFFAOYSA-N 1 0 414.369 2.944 20 0 HFADRO COc1ccc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)c(OCC2CC2)c1 ZINC000788204803 1077078852 /nfs/dbraw/zinc/07/88/52/1077078852.db2.gz JVDNXHJOBXAUNX-UHFFFAOYSA-N 1 0 404.507 2.630 20 0 HFADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1=O ZINC000788251613 1077087138 /nfs/dbraw/zinc/08/71/38/1077087138.db2.gz GYTANNGJTSNMPW-JXSLOMFPSA-N 1 0 408.543 2.523 20 0 HFADRO CN(C)C(=O)CCN1CCC([NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788252100 1077087274 /nfs/dbraw/zinc/08/72/74/1077087274.db2.gz YNWIKVHNOACALW-OALUTQOASA-N 1 0 410.603 2.745 20 0 HFADRO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788252107 1077087294 /nfs/dbraw/zinc/08/72/94/1077087294.db2.gz YNWIKVHNOACALW-RTBURBONSA-N 1 0 410.603 2.745 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788258859 1077088161 /nfs/dbraw/zinc/08/81/61/1077088161.db2.gz YFJPQJVNOBFXPS-QZTJIDSGSA-N 1 0 417.616 2.864 20 0 HFADRO COc1ccc([C@H](CNC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)[NH+]2CCCC2)cc1 ZINC000788260771 1077088357 /nfs/dbraw/zinc/08/83/57/1077088357.db2.gz HFLVYPXCRBRRKX-LPHOPBHVSA-N 1 0 410.522 2.525 20 0 HFADRO Cc1sc(Br)nc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000788309037 1077093378 /nfs/dbraw/zinc/09/33/78/1077093378.db2.gz RHOWUJQIARCNEH-OLZOCXBDSA-N 1 0 402.358 2.712 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)C1=C(C)N(C)c2ncnn2[C@@H]1C)[NH+]1CCCCC1 ZINC000788286853 1077098016 /nfs/dbraw/zinc/09/80/16/1077098016.db2.gz CPJQEVXINJAUEB-IEBWSBKVSA-N 1 0 424.549 2.915 20 0 HFADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cc(Br)n[nH]3)CC2)cc1 ZINC000788294639 1077101166 /nfs/dbraw/zinc/10/11/66/1077101166.db2.gz ZFBBYHUIIBLYJR-UHFFFAOYSA-N 1 0 407.312 2.823 20 0 HFADRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000788338591 1077108055 /nfs/dbraw/zinc/10/80/55/1077108055.db2.gz HUQPGVHCACUTRU-UHFFFAOYSA-N 1 0 422.533 2.939 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000788341067 1077109460 /nfs/dbraw/zinc/10/94/60/1077109460.db2.gz NNLIZRXECOINPL-MUUNZHRXSA-N 1 0 419.469 2.587 20 0 HFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCCSC(C)(C)C ZINC000788346478 1077112611 /nfs/dbraw/zinc/11/26/11/1077112611.db2.gz QYTJNAOVJNSZOX-UHFFFAOYSA-N 1 0 406.596 2.794 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCCSC(C)(C)C ZINC000788362608 1077126175 /nfs/dbraw/zinc/12/61/75/1077126175.db2.gz FWPOBLRMRXZVHX-SFHVURJKSA-N 1 0 406.596 2.542 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000788422469 1077140640 /nfs/dbraw/zinc/14/06/40/1077140640.db2.gz WOCRWKPQHOJHED-KRWDZBQOSA-N 1 0 402.438 2.779 20 0 HFADRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000788436495 1077146186 /nfs/dbraw/zinc/14/61/86/1077146186.db2.gz MFBIMYNCTMNGOQ-YESZJQIVSA-N 1 0 409.527 2.616 20 0 HFADRO COc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cnc1Br ZINC000788437437 1077146632 /nfs/dbraw/zinc/14/66/32/1077146632.db2.gz WOEPPINVDGFIKA-UHFFFAOYSA-N 1 0 421.295 2.995 20 0 HFADRO Cc1ccc(O[C@H](C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000788411596 1077155441 /nfs/dbraw/zinc/15/54/41/1077155441.db2.gz GDGTZTCTXZLVHG-XEVCZEQESA-N 1 0 401.551 2.792 20 0 HFADRO CCOc1ccccc1N1CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788467841 1077169656 /nfs/dbraw/zinc/16/96/56/1077169656.db2.gz ALJLUQFUTIHBDD-UHFFFAOYSA-N 1 0 418.582 2.760 20 0 HFADRO Cn1ccc(N2CCC[C@H](OC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2=O)n1 ZINC000772719850 1077172241 /nfs/dbraw/zinc/17/22/41/1077172241.db2.gz XBIGBPZTWSYFLZ-IBGZPJMESA-N 1 0 410.518 2.761 20 0 HFADRO COC(=O)c1cccc(OCC(=[NH2+])NOCc2ncc(Br)s2)c1 ZINC000788503138 1077184167 /nfs/dbraw/zinc/18/41/67/1077184167.db2.gz RFBANLXRKUISPN-UHFFFAOYSA-N 1 0 400.254 2.770 20 0 HFADRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCSC(F)(F)F ZINC000788541522 1077194646 /nfs/dbraw/zinc/19/46/46/1077194646.db2.gz DSNOCDIREYMBLC-OAHLLOKOSA-N 1 0 417.497 2.773 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000788545963 1077195873 /nfs/dbraw/zinc/19/58/73/1077195873.db2.gz BLGMWFANBZMWSQ-UHFFFAOYSA-N 1 0 422.533 2.788 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(OC)c(I)n1 ZINC000788548230 1077196688 /nfs/dbraw/zinc/19/66/88/1077196688.db2.gz ORNYVMRXSTYELO-UHFFFAOYSA-N 1 0 417.291 2.643 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000788547889 1077196693 /nfs/dbraw/zinc/19/66/93/1077196693.db2.gz MEPRORMADFBEEN-UHFFFAOYSA-N 1 0 406.328 2.978 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000788564580 1077200320 /nfs/dbraw/zinc/20/03/20/1077200320.db2.gz SRLRRRDEGXLZLO-JQHSSLGASA-N 1 0 409.452 2.764 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788558795 1077201183 /nfs/dbraw/zinc/20/11/83/1077201183.db2.gz VYGPFYJBIBPYPG-QRVBRYPASA-N 1 0 423.529 2.959 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)NCCSC(F)(F)F)CC1 ZINC000788529230 1077203180 /nfs/dbraw/zinc/20/31/80/1077203180.db2.gz VKQWTWVJURUWIK-CQSZACIVSA-N 1 0 409.518 2.859 20 0 HFADRO Cc1cc(S(C)(=O)=O)ccc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000788531271 1077204142 /nfs/dbraw/zinc/20/41/42/1077204142.db2.gz QXHDUDIVFYHIBN-GHXNOFRVSA-N 1 0 402.516 2.991 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000788589369 1077213856 /nfs/dbraw/zinc/21/38/56/1077213856.db2.gz QFKAXGAJHQBVIK-OLZOCXBDSA-N 1 0 404.308 2.869 20 0 HFADRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000788589367 1077213904 /nfs/dbraw/zinc/21/39/04/1077213904.db2.gz QFKAXGAJHQBVIK-CHWSQXEVSA-N 1 0 404.308 2.869 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788592246 1077215546 /nfs/dbraw/zinc/21/55/46/1077215546.db2.gz AYVYZXVMRBPQTR-IRXDYDNUSA-N 1 0 409.571 2.782 20 0 HFADRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788600911 1077219620 /nfs/dbraw/zinc/21/96/20/1077219620.db2.gz FODUOUHHUAMNPA-SFHVURJKSA-N 1 0 415.582 2.581 20 0 HFADRO CCn1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1=O ZINC000788604861 1077221004 /nfs/dbraw/zinc/22/10/04/1077221004.db2.gz MYNOTQBFLBKEBC-GUDVDZBRSA-N 1 0 405.539 2.762 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C)c1Cl ZINC000788607688 1077222444 /nfs/dbraw/zinc/22/24/44/1077222444.db2.gz XMJPHCKVEVEEEO-LBPRGKRZSA-N 1 0 406.957 2.745 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000788653298 1077226805 /nfs/dbraw/zinc/22/68/05/1077226805.db2.gz FGZPFSQGBZTWBZ-DUXKGJEZSA-N 1 0 424.545 2.815 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000788619714 1077231249 /nfs/dbraw/zinc/23/12/49/1077231249.db2.gz RISBZCDTDXJNAW-HXUWFJFHSA-N 1 0 411.568 2.720 20 0 HFADRO CCc1ccc([C@H](CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC000788621759 1077232200 /nfs/dbraw/zinc/23/22/00/1077232200.db2.gz VUPSVLFLUZCKHJ-HKUYNNGSSA-N 1 0 418.538 2.638 20 0 HFADRO COC(=O)c1cc(OC)cc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)n1 ZINC001170145789 1077234089 /nfs/dbraw/zinc/23/40/89/1077234089.db2.gz GKNUGFBFIGMLDY-UHFFFAOYSA-N 1 0 420.473 2.786 20 0 HFADRO COC(=O)Cc1ccc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)nc1 ZINC001170145801 1077235520 /nfs/dbraw/zinc/23/55/20/1077235520.db2.gz GRXNSTBBVIOCCB-UHFFFAOYSA-N 1 0 404.474 2.707 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H](O)c3ccccc3F)cc2)CC1 ZINC000790927966 1077236213 /nfs/dbraw/zinc/23/62/13/1077236213.db2.gz UVXZXJUSENTNCX-NRFANRHFSA-N 1 0 401.482 2.832 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@H](C)C1 ZINC000788634459 1077239991 /nfs/dbraw/zinc/23/99/91/1077239991.db2.gz JYRVIDDYPJQETN-PWSUYJOCSA-N 1 0 408.973 2.847 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C[C@@H]1C ZINC000788635436 1077240930 /nfs/dbraw/zinc/24/09/30/1077240930.db2.gz YJAIYKAHGLQWID-JQWIXIFHSA-N 1 0 408.973 2.990 20 0 HFADRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)C1 ZINC000788636991 1077241282 /nfs/dbraw/zinc/24/12/82/1077241282.db2.gz COOCVVSTGANMAH-LBPRGKRZSA-N 1 0 408.973 2.849 20 0 HFADRO CC(C)[C@@H](CNC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000788636633 1077241492 /nfs/dbraw/zinc/24/14/92/1077241492.db2.gz JTOMKBAVXLPMHA-SJLPKXTDSA-N 1 0 410.559 2.529 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000788638162 1077241776 /nfs/dbraw/zinc/24/17/76/1077241776.db2.gz LBTDILSEDJTDBS-NHCUHLMSSA-N 1 0 422.529 2.665 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788643164 1077244439 /nfs/dbraw/zinc/24/44/39/1077244439.db2.gz JLOVROOFLIYFQK-NSISKUIASA-N 1 0 410.518 2.569 20 0 HFADRO CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788688849 1077251780 /nfs/dbraw/zinc/25/17/80/1077251780.db2.gz MHINKQIKHFZMRM-FGZHOGPDSA-N 1 0 408.546 2.602 20 0 HFADRO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3=NO[C@@H](CNC(=O)OC(C)(C)C)C3)C2)CC1 ZINC000788656420 1077254422 /nfs/dbraw/zinc/25/44/22/1077254422.db2.gz PIXMIEVFYGCGFP-QZTJIDSGSA-N 1 0 422.570 2.627 20 0 HFADRO C[NH+](C)Cc1ccnc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 ZINC000788659650 1077256838 /nfs/dbraw/zinc/25/68/38/1077256838.db2.gz FFKOBOMDRCWDOV-RTBURBONSA-N 1 0 419.485 2.674 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000788671137 1077262201 /nfs/dbraw/zinc/26/22/01/1077262201.db2.gz YLYQMQQPBSOUES-OAQYLSRUSA-N 1 0 423.579 2.770 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672882 1077262745 /nfs/dbraw/zinc/26/27/45/1077262745.db2.gz SSKVQOQUFGPOGC-QYZOEREBSA-N 1 0 411.587 2.885 20 0 HFADRO CCOC(=O)[C@@H]1[C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000788672880 1077262815 /nfs/dbraw/zinc/26/28/15/1077262815.db2.gz SSKVQOQUFGPOGC-OTWHNJEPSA-N 1 0 411.587 2.885 20 0 HFADRO C[C@H](CNC(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000746757973 1077265897 /nfs/dbraw/zinc/26/58/97/1077265897.db2.gz SIFJFWDCEYFQIP-LJQANCHMSA-N 1 0 400.567 2.641 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788714710 1077269202 /nfs/dbraw/zinc/26/92/02/1077269202.db2.gz HBJJQGDXNNKDBV-SVFBPWRDSA-N 1 0 400.567 2.797 20 0 HFADRO C[C@]1(CNC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000791054009 1077284669 /nfs/dbraw/zinc/28/46/69/1077284669.db2.gz BGUIJWNEMCMNND-NFBKMPQASA-N 1 0 412.555 2.976 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000788735474 1077285112 /nfs/dbraw/zinc/28/51/12/1077285112.db2.gz BKYLBRVWWANKPD-WMZOPIPTSA-N 1 0 417.616 2.673 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000791064053 1077287314 /nfs/dbraw/zinc/28/73/14/1077287314.db2.gz ZQTLZIBNBOGCTF-QGZVFWFLSA-N 1 0 422.570 2.769 20 0 HFADRO C[C@@H]1CCC[C@@](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)([NH+](C)C)C1 ZINC000788748314 1077289088 /nfs/dbraw/zinc/28/90/88/1077289088.db2.gz QQPNIUUXXONQJQ-KKLQWCBXSA-N 1 0 400.567 2.939 20 0 HFADRO C[NH+]1CCN(CCCNC(=O)CCc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000791124069 1077294253 /nfs/dbraw/zinc/29/42/53/1077294253.db2.gz MZNYOQTXOMDMSR-UHFFFAOYSA-N 1 0 404.555 2.720 20 0 HFADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788775476 1077297459 /nfs/dbraw/zinc/29/74/59/1077297459.db2.gz LBIRQRPDDBTWEZ-ZBFHGGJFSA-N 1 0 409.452 2.622 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]CCc2ccc3c(c2)CCO3)CCN1C(=O)OC(C)(C)C ZINC000788779606 1077299264 /nfs/dbraw/zinc/29/92/64/1077299264.db2.gz XOYAOAGCTMPJRS-MJGOQNOKSA-N 1 0 404.507 2.695 20 0 HFADRO Cc1cc(Br)ccc1CC(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000791107320 1077300267 /nfs/dbraw/zinc/30/02/67/1077300267.db2.gz LBQHFTFEIIVLHZ-HNNXBMFYSA-N 1 0 405.296 2.884 20 0 HFADRO C[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000788787818 1077303845 /nfs/dbraw/zinc/30/38/45/1077303845.db2.gz SURQQXDDCFGHNP-DENIHFKCSA-N 1 0 408.546 2.949 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cccc(NS(C)(=O)=O)c3)nc3ccc(C)cc3n12 ZINC001170149204 1077305776 /nfs/dbraw/zinc/30/57/76/1077305776.db2.gz LHKIJBNWYFAKQP-UHFFFAOYSA-N 1 0 424.530 2.968 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000788816000 1077306555 /nfs/dbraw/zinc/30/65/55/1077306555.db2.gz XKBUKCORWKNKCC-UHFFFAOYSA-N 1 0 409.962 2.991 20 0 HFADRO CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788835289 1077315060 /nfs/dbraw/zinc/31/50/60/1077315060.db2.gz WMJMWFYNUWCBBM-QFIPXVFZSA-N 1 0 408.546 2.733 20 0 HFADRO CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1C(=O)OC(C)(C)C ZINC000791137591 1077317405 /nfs/dbraw/zinc/31/74/05/1077317405.db2.gz RLOYRDXFWPCOHN-PKOBYXMFSA-N 1 0 418.538 2.713 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000788852509 1077320075 /nfs/dbraw/zinc/32/00/75/1077320075.db2.gz HFQORQUBQQOSJK-FGTMMUONSA-N 1 0 418.538 2.845 20 0 HFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1F ZINC000791225386 1077335320 /nfs/dbraw/zinc/33/53/20/1077335320.db2.gz OGXDOYSDDBRSNS-UHFFFAOYSA-N 1 0 413.559 2.708 20 0 HFADRO COC(=O)c1cc(OC)ncc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170150248 1077337439 /nfs/dbraw/zinc/33/74/39/1077337439.db2.gz SJSGOWCLTVTSAM-UHFFFAOYSA-N 1 0 420.473 2.786 20 0 HFADRO Cc1c(Cl)c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)sc1S(N)(=O)=O ZINC000791208260 1077344529 /nfs/dbraw/zinc/34/45/29/1077344529.db2.gz GSERJNUCYSBAKB-GHMZBOCLSA-N 1 0 422.016 2.844 20 0 HFADRO C[NH+]1CC2(C1)CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C2 ZINC000791248243 1077348117 /nfs/dbraw/zinc/34/81/17/1077348117.db2.gz IZVHSWBQJYWLEY-NRFANRHFSA-N 1 0 407.514 2.688 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccnc(N4CCCC4)n3)nc3ccc(C)cc3n12 ZINC001170152133 1077357673 /nfs/dbraw/zinc/35/76/73/1077357673.db2.gz UKHKZKBAPFVDRS-UHFFFAOYSA-N 1 0 402.506 2.986 20 0 HFADRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000788963401 1077364405 /nfs/dbraw/zinc/36/44/05/1077364405.db2.gz BVADXQWBNVZFGV-INIZCTEOSA-N 1 0 412.328 2.606 20 0 HFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788998088 1077377202 /nfs/dbraw/zinc/37/72/02/1077377202.db2.gz VDGHHMOEKLOSLZ-QGZVFWFLSA-N 1 0 410.946 2.646 20 0 HFADRO CCO[C@@H]1C[C@](O)(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1(C)C ZINC000789002736 1077377981 /nfs/dbraw/zinc/37/79/81/1077377981.db2.gz HKLYAKRBGOTVID-KNQAVFIVSA-N 1 0 404.555 2.516 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1N1CCOC1=O ZINC000746779947 1077378683 /nfs/dbraw/zinc/37/86/83/1077378683.db2.gz CYCASUIKVQNDMG-UHFFFAOYSA-N 1 0 416.522 2.661 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c(-c2nc(C3CC3)no2)c1 ZINC000746785788 1077398670 /nfs/dbraw/zinc/39/86/70/1077398670.db2.gz AVNRMYOTUQBSHK-OAHLLOKOSA-N 1 0 411.506 2.852 20 0 HFADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000746787393 1077399635 /nfs/dbraw/zinc/39/96/35/1077399635.db2.gz CLBPSASBTXAVIN-UHFFFAOYSA-N 1 0 404.511 2.774 20 0 HFADRO CC(C)[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H](O)c1ccccc1 ZINC000789112921 1077419313 /nfs/dbraw/zinc/41/93/13/1077419313.db2.gz HHOVPCJXNSEGLN-YUMYIRISSA-N 1 0 403.567 2.812 20 0 HFADRO C[NH+](C)C1CCN(CCNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789139881 1077430086 /nfs/dbraw/zinc/43/00/86/1077430086.db2.gz HWOMRMDLKXMNNF-UHFFFAOYSA-N 1 0 423.989 2.561 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791467592 1077440676 /nfs/dbraw/zinc/44/06/76/1077440676.db2.gz OYMJEUDFLIWJTA-HTAPYJJXSA-N 1 0 409.486 2.588 20 0 HFADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746791201 1077448377 /nfs/dbraw/zinc/44/83/77/1077448377.db2.gz RCCKIUKDPCEUEO-UHFFFAOYSA-N 1 0 409.534 2.965 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](NC(=O)c2ccco2)c2ccccc2)CC1 ZINC000791571578 1077466270 /nfs/dbraw/zinc/46/62/70/1077466270.db2.gz FJBCOSWTKCFVLS-OAQYLSRUSA-N 1 0 413.518 2.710 20 0 HFADRO CN1CCOc2ccc(NC(=O)C(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc21 ZINC000746792639 1077481726 /nfs/dbraw/zinc/48/17/26/1077481726.db2.gz IEKOQCKFUIEPBB-UHFFFAOYSA-N 1 0 414.550 2.615 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCC1 ZINC000746792893 1077484474 /nfs/dbraw/zinc/48/44/74/1077484474.db2.gz BTCQTBPVJUKFQQ-IBGZPJMESA-N 1 0 409.534 2.618 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)C2)c1 ZINC000791590031 1077494191 /nfs/dbraw/zinc/49/41/91/1077494191.db2.gz SZQGUQAJZBMIDZ-OPAMFIHVSA-N 1 0 411.502 2.834 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NC1CCC2(CC1)OCCO2 ZINC000789311476 1077509902 /nfs/dbraw/zinc/50/99/02/1077509902.db2.gz LCEFQEAHGQGGAZ-UHFFFAOYSA-N 1 0 423.941 2.628 20 0 HFADRO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000789312935 1077510151 /nfs/dbraw/zinc/51/01/51/1077510151.db2.gz WCPKPNOYYHYOLL-LJQANCHMSA-N 1 0 415.921 2.946 20 0 HFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccnc(F)c2F)cc1OC ZINC000791650544 1077512296 /nfs/dbraw/zinc/51/22/96/1077512296.db2.gz HGTXVGKBNQSSLN-UHFFFAOYSA-N 1 0 406.433 2.692 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000791651569 1077512613 /nfs/dbraw/zinc/51/26/13/1077512613.db2.gz PERNPYVQNYWINY-OAQYLSRUSA-N 1 0 403.548 2.575 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000789358119 1077515399 /nfs/dbraw/zinc/51/53/99/1077515399.db2.gz PSUGQZUWHHCNII-DYESRHJHSA-N 1 0 415.563 2.682 20 0 HFADRO CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@@H](C)CN3CCOCC3)cc(=O)oc2c1 ZINC000789333572 1077525798 /nfs/dbraw/zinc/52/57/98/1077525798.db2.gz BNUIEQHSJUHVRW-HNNXBMFYSA-N 1 0 403.479 2.514 20 0 HFADRO C[C@H](NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000791717452 1077537691 /nfs/dbraw/zinc/53/76/91/1077537691.db2.gz YUTBZNYNGNGPLH-NUEKZKHPSA-N 1 0 401.429 2.957 20 0 HFADRO CC(=O)Nc1ccc2c(C[N@@H+](C)C3CCN(c4cnccn4)CC3)cc(=O)oc2c1 ZINC000789365889 1077540036 /nfs/dbraw/zinc/54/00/36/1077540036.db2.gz KRUJSPOQTPOHTF-UHFFFAOYSA-N 1 0 407.474 2.642 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NC[C@H](O)c3ccc(Cl)cc3)cccc21 ZINC000789371933 1077542800 /nfs/dbraw/zinc/54/28/00/1077542800.db2.gz PDFAUGQKZHXCDP-MSOLQXFVSA-N 1 0 417.893 2.514 20 0 HFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000746802772 1077543833 /nfs/dbraw/zinc/54/38/33/1077543833.db2.gz IQBXLPMOWLNJHI-QGZVFWFLSA-N 1 0 402.514 2.555 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000791735892 1077544464 /nfs/dbraw/zinc/54/44/64/1077544464.db2.gz ZWWZKDUNIJXGFJ-SFTDATJTSA-N 1 0 417.594 2.869 20 0 HFADRO C[C@H](CCNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)[N@H+](C)Cc1ccccc1 ZINC000746809444 1077549124 /nfs/dbraw/zinc/54/91/24/1077549124.db2.gz JXUDGGYCPWISPU-QGZVFWFLSA-N 1 0 423.492 2.977 20 0 HFADRO CSCCCNC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(C(C)(C)C)cc1 ZINC000789400416 1077559230 /nfs/dbraw/zinc/55/92/30/1077559230.db2.gz CCEFNONEPRNNAL-UHFFFAOYSA-O 1 0 406.601 2.954 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(-n4ccnc4)cc3)cccc21 ZINC000789402804 1077560592 /nfs/dbraw/zinc/56/05/92/1077560592.db2.gz JFJIVIMYMZHAGV-HXUWFJFHSA-N 1 0 419.485 2.512 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)C1 ZINC000746814411 1077575159 /nfs/dbraw/zinc/57/51/59/1077575159.db2.gz RVTOTISLPFIFIL-GOSISDBHSA-N 1 0 422.545 2.568 20 0 HFADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791829038 1077576632 /nfs/dbraw/zinc/57/66/32/1077576632.db2.gz UNDOYMZDJBKOOM-HSGBZWMFSA-N 1 0 401.576 2.883 20 0 HFADRO COc1ccc(Cn2cc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)cn2)cc1 ZINC000791886440 1077585988 /nfs/dbraw/zinc/58/59/88/1077585988.db2.gz SGWBUSVMOIAJAW-UHFFFAOYSA-N 1 0 400.523 2.513 20 0 HFADRO COC(=O)C1=C(C[N@@H+]2CCC[C@]2(CO)CC(C)C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000789504088 1077598240 /nfs/dbraw/zinc/59/82/40/1077598240.db2.gz LTZBCUAOBIAHNG-NFBKMPQASA-N 1 0 415.534 2.683 20 0 HFADRO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1nnnn1C1CC1 ZINC000791922690 1077612515 /nfs/dbraw/zinc/61/25/15/1077612515.db2.gz USMUKQFXFQWBCG-ACJLOTCBSA-N 1 0 408.428 2.640 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000791974682 1077616005 /nfs/dbraw/zinc/61/60/05/1077616005.db2.gz DYWLPBALGJBDDH-FPOVZHCZSA-N 1 0 418.497 2.601 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000791964911 1077638227 /nfs/dbraw/zinc/63/82/27/1077638227.db2.gz QDNAXRORGXTFHQ-LJQANCHMSA-N 1 0 407.942 2.652 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000792018703 1077651935 /nfs/dbraw/zinc/65/19/35/1077651935.db2.gz JVZSSTKEEICPHZ-NRFANRHFSA-N 1 0 417.550 2.747 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792056703 1077661961 /nfs/dbraw/zinc/66/19/61/1077661961.db2.gz IVAPHRISWLEAMF-BGYRXZFFSA-N 1 0 424.630 2.804 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792057280 1077663494 /nfs/dbraw/zinc/66/34/94/1077663494.db2.gz OUDRTCNDSVJNMP-LJQANCHMSA-N 1 0 410.603 2.700 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000792067922 1077676875 /nfs/dbraw/zinc/67/68/75/1077676875.db2.gz HHGQJEIUXNYMCF-QFIPXVFZSA-N 1 0 404.551 2.883 20 0 HFADRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1 ZINC000789561084 1077679393 /nfs/dbraw/zinc/67/93/93/1077679393.db2.gz PDMXCWRRHVFSDL-FQEVSTJZSA-N 1 0 403.486 2.822 20 0 HFADRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1C ZINC000789562480 1077682469 /nfs/dbraw/zinc/68/24/69/1077682469.db2.gz XLCGTCOYIVWOPD-FQEVSTJZSA-N 1 0 403.486 2.876 20 0 HFADRO CC(C)(C)OC(=O)NC1(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000746833307 1077693219 /nfs/dbraw/zinc/69/32/19/1077693219.db2.gz QJGQQLMWNJJVOA-UHFFFAOYSA-N 1 0 402.539 3.000 20 0 HFADRO CCC[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000792048332 1077693823 /nfs/dbraw/zinc/69/38/23/1077693823.db2.gz JIPSXMLMKNSLMJ-SFTDATJTSA-N 1 0 411.550 2.535 20 0 HFADRO Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000789625198 1077695566 /nfs/dbraw/zinc/69/55/66/1077695566.db2.gz CDQVUIPQHHGRTQ-UHFFFAOYSA-N 1 0 418.501 2.510 20 0 HFADRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)C[C@@H](C)O1 ZINC000746835602 1077705395 /nfs/dbraw/zinc/70/53/95/1077705395.db2.gz BSYRZWCEVWNUJP-KURKYZTESA-N 1 0 409.571 2.924 20 0 HFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792080919 1077706778 /nfs/dbraw/zinc/70/67/78/1077706778.db2.gz GKDLOEWWQBUZCA-GOSISDBHSA-N 1 0 410.603 2.556 20 0 HFADRO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000792088102 1077711245 /nfs/dbraw/zinc/71/12/45/1077711245.db2.gz JATYTFFMHMIHHO-UHFFFAOYSA-N 1 0 404.477 2.564 20 0 HFADRO COc1ccc(-n2nc(C(=O)OCCCN3CC[NH+](C(C)C)CC3)cc2C)cc1 ZINC000792089939 1077712165 /nfs/dbraw/zinc/71/21/65/1077712165.db2.gz JZQUVMUXJMUTSY-UHFFFAOYSA-N 1 0 400.523 2.762 20 0 HFADRO COc1cccc(C2=NO[C@H](C(=O)N(C)C3CC[NH+](CCc4ccccn4)CC3)C2)c1 ZINC000792119198 1077713082 /nfs/dbraw/zinc/71/30/82/1077713082.db2.gz LVSJNSSGJSYSDH-QHCPKHFHSA-N 1 0 422.529 2.749 20 0 HFADRO C[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000792143362 1077721343 /nfs/dbraw/zinc/72/13/43/1077721343.db2.gz LOQGBHRERNXRJQ-CVEARBPZSA-N 1 0 405.543 2.819 20 0 HFADRO CC(C)(C)OC(=O)N1CC(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792154175 1077725005 /nfs/dbraw/zinc/72/50/05/1077725005.db2.gz VZSIGEUFQUEYJU-BGYRXZFFSA-N 1 0 414.550 2.627 20 0 HFADRO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792181449 1077736992 /nfs/dbraw/zinc/73/69/92/1077736992.db2.gz ZVMURGPVUWRBOQ-RLLQIKCJSA-N 1 0 402.539 2.675 20 0 HFADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000789729956 1077741827 /nfs/dbraw/zinc/74/18/27/1077741827.db2.gz YELMSACLYAUPQN-OAHLLOKOSA-N 1 0 417.510 2.523 20 0 HFADRO CCC(CC)(CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1)SC ZINC000789704619 1077746555 /nfs/dbraw/zinc/74/65/55/1077746555.db2.gz BTFLPHOSQVSKNX-UHFFFAOYSA-N 1 0 401.642 2.502 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792225769 1077750477 /nfs/dbraw/zinc/75/04/77/1077750477.db2.gz NQFAMCKDZPUBQS-IBGZPJMESA-N 1 0 402.539 2.771 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000792226282 1077751525 /nfs/dbraw/zinc/75/15/25/1077751525.db2.gz PKQOQDCLDXUODO-PWRODBHTSA-N 1 0 413.518 2.636 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000792226275 1077751543 /nfs/dbraw/zinc/75/15/43/1077751543.db2.gz PKQOQDCLDXUODO-PCCBWWKXSA-N 1 0 413.518 2.636 20 0 HFADRO COC1CC[NH+](CCNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792215906 1077768985 /nfs/dbraw/zinc/76/89/85/1077768985.db2.gz OGJUBYISDKHJST-LJQANCHMSA-N 1 0 423.529 2.661 20 0 HFADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)OC[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000789769002 1077770164 /nfs/dbraw/zinc/77/01/64/1077770164.db2.gz CVLIXEXAEAIDKC-ZHRRBRCNSA-N 1 0 412.465 2.592 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000789736776 1077772228 /nfs/dbraw/zinc/77/22/28/1077772228.db2.gz MZMXEQMIPWZKJA-INIZCTEOSA-N 1 0 400.523 2.634 20 0 HFADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000792280599 1077773431 /nfs/dbraw/zinc/77/34/31/1077773431.db2.gz RFKYDBQGWNUVQL-OAHLLOKOSA-N 1 0 404.536 2.804 20 0 HFADRO O=C(NC[C@@H](O)c1ccc(F)cc1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792280533 1077773522 /nfs/dbraw/zinc/77/35/22/1077773522.db2.gz WACUVJWYYHZALR-OFLPRAFFSA-N 1 0 403.420 2.964 20 0 HFADRO CC[C@H](C)n1ncc(NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1C ZINC000792282879 1077774188 /nfs/dbraw/zinc/77/41/88/1077774188.db2.gz XXVUTCZOYJJPHI-INIZCTEOSA-N 1 0 412.538 2.882 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)C2)c1 ZINC000792284765 1077774605 /nfs/dbraw/zinc/77/46/05/1077774605.db2.gz JESMGHCHFPSLNP-BVYCBKJFSA-N 1 0 409.486 2.758 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC(CCC[NH+](C)C)CC3)C2)c1 ZINC000792290399 1077777409 /nfs/dbraw/zinc/77/74/09/1077777409.db2.gz MOUZJQIHFPEUKT-OAQYLSRUSA-N 1 0 403.523 2.777 20 0 HFADRO CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1OC ZINC001170117959 1077779990 /nfs/dbraw/zinc/77/99/90/1077779990.db2.gz NZTAVWQWZLPMDW-UUWFMWQGSA-N 1 0 406.445 2.809 20 0 HFADRO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000789750251 1077781768 /nfs/dbraw/zinc/78/17/68/1077781768.db2.gz NPBKMQZOFDDKDO-UHFFFAOYSA-N 1 0 418.515 2.921 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2)c1 ZINC000792256127 1077782619 /nfs/dbraw/zinc/78/26/19/1077782619.db2.gz QUDLRVLZQYBYSH-PDXHDDNESA-N 1 0 413.518 2.672 20 0 HFADRO C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@H]1CCCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792260968 1077784240 /nfs/dbraw/zinc/78/42/40/1077784240.db2.gz RDRGMCXVRUCMDQ-GBESFXJTSA-N 1 0 404.551 2.744 20 0 HFADRO C[C@H]([NH2+]CCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCCC2=O)cc1 ZINC000792276273 1077791585 /nfs/dbraw/zinc/79/15/85/1077791585.db2.gz HWHMZAPXBWFBBQ-SFHVURJKSA-N 1 0 415.559 2.926 20 0 HFADRO CC1(C)C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC[C@H]1C(F)(F)F ZINC000792354852 1077812555 /nfs/dbraw/zinc/81/25/55/1077812555.db2.gz NHMDNOLRHJFMJO-CYBMUJFWSA-N 1 0 418.460 2.573 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(C4CC4)cc3)cc2)CC1 ZINC000792362062 1077814880 /nfs/dbraw/zinc/81/48/80/1077814880.db2.gz JDOHYKUSKMNWPD-UHFFFAOYSA-N 1 0 406.530 2.961 20 0 HFADRO CCCOC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792366351 1077817902 /nfs/dbraw/zinc/81/79/02/1077817902.db2.gz IFMYMJGYPYTEPB-IBGZPJMESA-N 1 0 423.513 2.830 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000792369054 1077818233 /nfs/dbraw/zinc/81/82/33/1077818233.db2.gz PZUQLVGBSTUUJV-SFHVURJKSA-N 1 0 421.476 2.588 20 0 HFADRO Cc1nc(-c2ccccc2NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000792368473 1077818632 /nfs/dbraw/zinc/81/86/32/1077818632.db2.gz MYGRFECNHJOAFG-SFHVURJKSA-N 1 0 419.485 2.622 20 0 HFADRO CN(C)c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000792369850 1077818669 /nfs/dbraw/zinc/81/86/69/1077818669.db2.gz WSWPDQTXVVOQRM-QGZVFWFLSA-N 1 0 414.937 2.983 20 0 HFADRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C1CCCCC1 ZINC000792370499 1077819220 /nfs/dbraw/zinc/81/92/20/1077819220.db2.gz ZXLCIQIMXRWJBI-IBGZPJMESA-N 1 0 409.534 2.965 20 0 HFADRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cn1 ZINC000792375479 1077821057 /nfs/dbraw/zinc/82/10/57/1077821057.db2.gz HJWKPNIOTASOQH-JOCHJYFZSA-N 1 0 417.513 2.955 20 0 HFADRO CC(C)Cc1ncc(NC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000792331538 1077821878 /nfs/dbraw/zinc/82/18/78/1077821878.db2.gz ZZCCVNJKCJXGNJ-UHFFFAOYSA-N 1 0 401.555 2.775 20 0 HFADRO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCc1ccc(S(N)(=O)=O)cc1 ZINC000792337035 1077824929 /nfs/dbraw/zinc/82/49/29/1077824929.db2.gz WOMDLVDEJJXPCE-QFIPXVFZSA-N 1 0 416.543 2.517 20 0 HFADRO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n[nH]nc2cc1F ZINC000789819331 1077826134 /nfs/dbraw/zinc/82/61/34/1077826134.db2.gz RQZZNEPUYURSOP-OAHLLOKOSA-N 1 0 405.437 2.993 20 0 HFADRO COc1nc(Br)ccc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000789877756 1077833020 /nfs/dbraw/zinc/83/30/20/1077833020.db2.gz MSEFXHRNXAADJN-UHFFFAOYSA-N 1 0 419.323 2.852 20 0 HFADRO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1N(C)C ZINC000792403328 1077837507 /nfs/dbraw/zinc/83/75/07/1077837507.db2.gz APQCEGUAGVTRHA-BGYRXZFFSA-N 1 0 406.530 2.590 20 0 HFADRO NC(=[NH2+])N(c1cnc2cccc(Br)n21)c1ccc(N2CCOCC2)cc1 ZINC001170166411 1077849459 /nfs/dbraw/zinc/84/94/59/1077849459.db2.gz IIPOGNPMLGXPGP-UHFFFAOYSA-N 1 0 415.295 2.965 20 0 HFADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccn(CC(F)F)n3)CC2)c1 ZINC000789894774 1077853446 /nfs/dbraw/zinc/85/34/46/1077853446.db2.gz KHIOGSGOGCPMJA-UHFFFAOYSA-N 1 0 405.493 2.789 20 0 HFADRO C[C@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000792462692 1077858906 /nfs/dbraw/zinc/85/89/06/1077858906.db2.gz FPIKQNUTNGJVQA-INIZCTEOSA-N 1 0 404.580 2.510 20 0 HFADRO C[C@@H]1CN(c2ccnc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c2)C[C@@H](C)O1 ZINC000789944261 1077862210 /nfs/dbraw/zinc/86/22/10/1077862210.db2.gz OVUZVERXNNDFIR-QZTJIDSGSA-N 1 0 409.534 2.699 20 0 HFADRO CS(=O)(=O)Nc1ccc(/C=C\C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000792495063 1077866664 /nfs/dbraw/zinc/86/66/64/1077866664.db2.gz JMOLIHQNKUHRAS-DBBZSVRUSA-N 1 0 413.543 2.710 20 0 HFADRO COc1ccc([C@@H](CNC(=O)Cn2ccc(Br)n2)[NH+]2CCCCC2)cc1 ZINC000789965429 1077873262 /nfs/dbraw/zinc/87/32/62/1077873262.db2.gz AOXGLERRNUHVSH-QGZVFWFLSA-N 1 0 421.339 2.998 20 0 HFADRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000789966535 1077873993 /nfs/dbraw/zinc/87/39/93/1077873993.db2.gz HRWDYGWVMIDMIS-NHCUHLMSSA-N 1 0 424.545 2.911 20 0 HFADRO COc1ccc2c(c1)CCN(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000792477913 1077875054 /nfs/dbraw/zinc/87/50/54/1077875054.db2.gz CYFXPVSQEIEWKN-UHFFFAOYSA-N 1 0 417.550 2.565 20 0 HFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)C1 ZINC000789985576 1077885586 /nfs/dbraw/zinc/88/55/86/1077885586.db2.gz GWZKISQGWKNQHF-AQNXPRMDSA-N 1 0 410.518 2.521 20 0 HFADRO CC(C)(CNC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C[NH+]1CCCC1 ZINC000792521896 1077886013 /nfs/dbraw/zinc/88/60/13/1077886013.db2.gz SUUNXFXXDIMAHQ-UHFFFAOYSA-N 1 0 422.570 2.771 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1cccc(I)c1 ZINC000792546352 1077898989 /nfs/dbraw/zinc/89/89/89/1077898989.db2.gz MKEZYXUPSRUFFB-UHFFFAOYSA-N 1 0 421.194 2.734 20 0 HFADRO CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792552111 1077900607 /nfs/dbraw/zinc/90/06/07/1077900607.db2.gz ROUZIPDSSHVJRO-UHFFFAOYSA-N 1 0 408.458 2.677 20 0 HFADRO CCOC(=O)N1CCC(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000792556977 1077902417 /nfs/dbraw/zinc/90/24/17/1077902417.db2.gz ZKLOYECDPPQULY-UHFFFAOYSA-N 1 0 405.461 2.776 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC001170184082 1077903426 /nfs/dbraw/zinc/90/34/26/1077903426.db2.gz KDGDNMXMYNIGII-XMMPIXPASA-N 1 0 424.564 2.895 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC1(c2ccccc2)CCC1 ZINC001170185018 1077903602 /nfs/dbraw/zinc/90/36/02/1077903602.db2.gz SJIXWCCKMARVGO-UHFFFAOYSA-N 1 0 420.601 2.932 20 0 HFADRO CC(C)(CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000790031171 1077903827 /nfs/dbraw/zinc/90/38/27/1077903827.db2.gz FLVLAQZJIXHCLK-UHFFFAOYSA-N 1 0 414.594 2.574 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cc(F)cc(Br)c1 ZINC000790034114 1077905468 /nfs/dbraw/zinc/90/54/68/1077905468.db2.gz FRXBOMVKBHELEE-UHFFFAOYSA-N 1 0 420.304 2.731 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1ccc(Br)c(C)c1 ZINC000790034055 1077905496 /nfs/dbraw/zinc/90/54/96/1077905496.db2.gz CKEIDOFTASPDAM-UHFFFAOYSA-N 1 0 416.341 2.900 20 0 HFADRO O=C(NCc1ccc(F)cc1)c1nnc(COC(=O)c2ccc3c[nH+]cn3c2)s1 ZINC000792566388 1077905846 /nfs/dbraw/zinc/90/58/46/1077905846.db2.gz ULGWSHSURXZPGU-UHFFFAOYSA-N 1 0 411.418 2.612 20 0 HFADRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2ccc3c(n2)OCC[NH2+]C3)OC(C)(C)O1 ZINC001170208019 1077907050 /nfs/dbraw/zinc/90/70/50/1077907050.db2.gz OWSBBGITOZKVRL-CVEARBPZSA-N 1 0 407.511 2.618 20 0 HFADRO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2c[nH+]ccc2N2CCOCC2)OC(C)(C)O1 ZINC001170209627 1077907893 /nfs/dbraw/zinc/90/78/93/1077907893.db2.gz DWOGFAKJNIDZHU-SJORKVTESA-N 1 0 421.538 2.972 20 0 HFADRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2ccccc2[C@@H]1C ZINC001157702770 1077908375 /nfs/dbraw/zinc/90/83/75/1077908375.db2.gz CWVDWQYLNXPAQK-RTFZILSDSA-N 1 0 423.557 2.939 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)CCO1 ZINC001170214703 1077908724 /nfs/dbraw/zinc/90/87/24/1077908724.db2.gz SOXCTTJZCLQLDG-NXLVEIQXSA-N 1 0 422.591 2.879 20 0 HFADRO C[N@H+](CCOCCN1C(=O)c2ccccc2C1=O)CCc1nc(-c2ccccc2)no1 ZINC001170215570 1077909034 /nfs/dbraw/zinc/90/90/34/1077909034.db2.gz BYTHEQLFGBWDSV-UHFFFAOYSA-N 1 0 420.469 2.524 20 0 HFADRO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC001170218015 1077910012 /nfs/dbraw/zinc/91/00/12/1077910012.db2.gz SIFONADMUYAXGT-GMAHTHKFSA-N 1 0 415.578 2.936 20 0 HFADRO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001170218868 1077910331 /nfs/dbraw/zinc/91/03/31/1077910331.db2.gz WCALJEIJCUNBEE-ZWKOTPCHSA-N 1 0 416.591 2.830 20 0 HFADRO CCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000790014392 1077913418 /nfs/dbraw/zinc/91/34/18/1077913418.db2.gz GFVFNQCPVVNWPS-IBGZPJMESA-N 1 0 409.596 2.845 20 0 HFADRO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C2)CCO1 ZINC001170236220 1077914097 /nfs/dbraw/zinc/91/40/97/1077914097.db2.gz CQRZJADEWMZGFS-KZNAEPCWSA-N 1 0 406.523 2.864 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc(O[C@H]3CCCCNC3=O)cc2)cc1 ZINC000790019154 1077915606 /nfs/dbraw/zinc/91/56/06/1077915606.db2.gz RIAUFVZCNNRNBV-FQEVSTJZSA-N 1 0 418.515 2.563 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000790025339 1077918002 /nfs/dbraw/zinc/91/80/02/1077918002.db2.gz AKNGJHFVYBWZNC-KRWDZBQOSA-N 1 0 418.437 2.659 20 0 HFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cc(F)cc4[nH]c(=S)[nH]c43)cc21 ZINC000746873393 1077922326 /nfs/dbraw/zinc/92/23/26/1077922326.db2.gz SGPDGAXMAJKIMT-UHFFFAOYSA-N 1 0 415.450 2.713 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001170274370 1077926146 /nfs/dbraw/zinc/92/61/46/1077926146.db2.gz QNIMTIMDGQZOAC-JUXOCIIHSA-N 1 0 406.954 2.858 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001170275618 1077926457 /nfs/dbraw/zinc/92/64/57/1077926457.db2.gz HXQUEMBEQDKGBF-MJGOQNOKSA-N 1 0 406.954 2.858 20 0 HFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790048950 1077929190 /nfs/dbraw/zinc/92/91/90/1077929190.db2.gz BVIPCSRLOZQFDD-OAQYLSRUSA-N 1 0 414.594 2.526 20 0 HFADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790051337 1077931169 /nfs/dbraw/zinc/93/11/69/1077931169.db2.gz FIGREOLCNSYITC-OAQYLSRUSA-N 1 0 414.594 2.572 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)n1nncc1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001170286102 1077938128 /nfs/dbraw/zinc/93/81/28/1077938128.db2.gz WWRALBJQSPRYAR-UWJYYQICSA-N 1 0 403.958 2.937 20 0 HFADRO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)C1 ZINC001170290241 1077938808 /nfs/dbraw/zinc/93/88/08/1077938808.db2.gz IBGHQUBMNBGGIV-MJGOQNOKSA-N 1 0 401.551 2.972 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000772809694 1077939936 /nfs/dbraw/zinc/93/99/36/1077939936.db2.gz MZOIRDQTELLJNP-NRFANRHFSA-N 1 0 411.502 2.733 20 0 HFADRO O=C(CC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1)NC(=O)NCC(F)(F)F ZINC001170315505 1077941100 /nfs/dbraw/zinc/94/11/00/1077941100.db2.gz MZABHVXADJDWGP-UHFFFAOYSA-N 1 0 407.383 2.998 20 0 HFADRO CCOC(=O)c1sc2[nH]c([C@H](C)N3CC[NH+]([C@@H](C)CC)CC3)nc(=O)c2c1C ZINC001170314792 1077941111 /nfs/dbraw/zinc/94/11/11/1077941111.db2.gz FTZULULPQUVTFC-JSGCOSHPSA-N 1 0 406.552 2.947 20 0 HFADRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1)Cc1ccccc1 ZINC000790114251 1077942240 /nfs/dbraw/zinc/94/22/40/1077942240.db2.gz NXHHMTFOAZOESP-SFHVURJKSA-N 1 0 400.498 2.946 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1cccc(C(F)(F)F)c1 ZINC001170320910 1077942588 /nfs/dbraw/zinc/94/25/88/1077942588.db2.gz PVQFPOTYNKCSPY-IBGZPJMESA-N 1 0 422.451 2.970 20 0 HFADRO CCS(=O)(=O)c1ccc(CNc2cc(CN3CC[NH+](C)CC3)ccc2OC)cc1 ZINC001170330214 1077944775 /nfs/dbraw/zinc/94/47/75/1077944775.db2.gz BCNBTHFHFJCAJQ-UHFFFAOYSA-N 1 0 417.575 2.848 20 0 HFADRO CCS(=O)(=O)c1ccc(CNc2ccccc2C(=O)NC2CC[NH2+]CC2)cc1 ZINC001170330295 1077944846 /nfs/dbraw/zinc/94/48/46/1077944846.db2.gz DFHIPUWCEDQHTR-UHFFFAOYSA-N 1 0 401.532 2.574 20 0 HFADRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H]2CCCO[C@H]21 ZINC001170385976 1077957206 /nfs/dbraw/zinc/95/72/06/1077957206.db2.gz LIWLUWNFRMJUHX-MORSLUCNSA-N 1 0 405.564 2.848 20 0 HFADRO CC(C)O[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC001170401234 1077965280 /nfs/dbraw/zinc/96/52/80/1077965280.db2.gz ZIXSYVZXBXADJZ-CABCVRRESA-N 1 0 404.479 2.803 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000790194255 1077967790 /nfs/dbraw/zinc/96/77/90/1077967790.db2.gz BJLNBPFPNUSNCY-QGZVFWFLSA-N 1 0 423.517 2.623 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1nnnn1C1CC1)[NH+]1CCCCC1 ZINC000790230189 1077981189 /nfs/dbraw/zinc/98/11/89/1077981189.db2.gz JBCOKGMHEMSANQ-MAUKXSAKSA-N 1 0 413.526 2.604 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792789296 1077991934 /nfs/dbraw/zinc/99/19/34/1077991934.db2.gz WSZJCXZOWHLXOQ-IBGZPJMESA-N 1 0 424.586 2.600 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCO[C@H](c3ccc(F)c(Cl)c3)C1)C[NH+]1CCC2CC1 ZINC000790362104 1078004402 /nfs/dbraw/zinc/00/44/02/1078004402.db2.gz JYBNNLUVFCAHKZ-AZUAARDMSA-N 1 0 409.889 2.727 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=S)NCC(C)(C)C[NH+](C)C)cn1 ZINC000790341174 1078007557 /nfs/dbraw/zinc/00/75/57/1078007557.db2.gz UVFLUZDHEMISSH-HXUWFJFHSA-N 1 0 417.623 2.901 20 0 HFADRO C[C@H]1CN(c2cccc3cnccc32)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790390356 1078012980 /nfs/dbraw/zinc/01/29/80/1078012980.db2.gz STNACYNDJSBWLV-UUOWRZLLSA-N 1 0 421.545 2.619 20 0 HFADRO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000792849816 1078014358 /nfs/dbraw/zinc/01/43/58/1078014358.db2.gz OHZXPSGPFDSMBT-UHFFFAOYSA-N 1 0 416.566 2.742 20 0 HFADRO Cc1nc2ccccc2n1C[C@@H]1CCCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364621 1078014778 /nfs/dbraw/zinc/01/47/78/1078014778.db2.gz AQYMGBDZKNCSIS-WMZHIEFXSA-N 1 0 409.534 2.683 20 0 HFADRO Cc1ccc(CCN(C[C@@H]2CCCO2)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790365947 1078014979 /nfs/dbraw/zinc/01/49/79/1078014979.db2.gz IVWUKOJYYCKBGM-UPVQGACJSA-N 1 0 413.562 2.893 20 0 HFADRO O=C1O[C@]2(CN1CN1CCO[C@H](c3cccc(OC(F)F)c3)C1)C[NH+]1CCC2CC1 ZINC000790365587 1078015059 /nfs/dbraw/zinc/01/50/59/1078015059.db2.gz CGSVOZLARJQGEI-RXVVDRJESA-N 1 0 423.460 2.535 20 0 HFADRO C[C@H](c1ccccc1Cl)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790365349 1078015065 /nfs/dbraw/zinc/01/50/65/1078015065.db2.gz FYVLGGPXLVZWKX-VGSWGCGISA-N 1 0 418.969 2.893 20 0 HFADRO CC1(C)CN=C(N2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)S1 ZINC000792872811 1078015309 /nfs/dbraw/zinc/01/53/09/1078015309.db2.gz PQZWKLWTKMKFBU-HXUWFJFHSA-N 1 0 402.608 2.777 20 0 HFADRO COc1ccc([C@@H]2CCCN2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c(OC)c1 ZINC000790367853 1078015532 /nfs/dbraw/zinc/01/55/32/1078015532.db2.gz LYHZATJEOJNNJF-UGKGYDQZSA-N 1 0 401.507 2.715 20 0 HFADRO O=C(NCC1CC[NH+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1)C(F)(F)F ZINC000792880398 1078016193 /nfs/dbraw/zinc/01/61/93/1078016193.db2.gz DNZAPZGQMYJQKF-LJQANCHMSA-N 1 0 413.484 2.668 20 0 HFADRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000747090186 1078017764 /nfs/dbraw/zinc/01/77/64/1078017764.db2.gz HTBRFSFFSYPPSR-INIZCTEOSA-N 1 0 421.538 2.557 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCc3cc(Br)cc(F)c3C1)C[NH+]1CCC2CC1 ZINC000790376863 1078018480 /nfs/dbraw/zinc/01/84/80/1078018480.db2.gz WIYQBVLUZNKYFU-LJQANCHMSA-N 1 0 424.314 2.820 20 0 HFADRO C[C@H]1OCC[C@]12C[N@H+](Cn1ccc(=O)c3cccc(Br)c31)C[C@@H](C)O2 ZINC000790407397 1078019848 /nfs/dbraw/zinc/01/98/48/1078019848.db2.gz RPMLETFEOMUGCB-LPMFXHHGSA-N 1 0 407.308 2.990 20 0 HFADRO CN(C(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2)c1ccccc1C(=O)NCc1ccco1 ZINC000792939208 1078022053 /nfs/dbraw/zinc/02/20/53/1078022053.db2.gz GOPHTJVJKBJKKR-QHCPKHFHSA-N 1 0 411.502 2.675 20 0 HFADRO CC(=O)c1ccc(N2CCN(C(=O)C[NH+]3CCC4(CCOCC4)CC3)CC2)c(F)c1 ZINC000792934702 1078028645 /nfs/dbraw/zinc/02/86/45/1078028645.db2.gz XVBLIDBQTUOFHN-UHFFFAOYSA-N 1 0 417.525 2.570 20 0 HFADRO NC(=O)c1ccccc1NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000792934070 1078028700 /nfs/dbraw/zinc/02/87/00/1078028700.db2.gz KYAQQEAKCNUNCF-KRWDZBQOSA-N 1 0 403.280 2.622 20 0 HFADRO O=C(C[NH2+][C@H](c1cncc(Br)c1)C1CC1)NC1CCC2(CC1)OCCO2 ZINC000792935868 1078029109 /nfs/dbraw/zinc/02/91/09/1078029109.db2.gz RAFANVJZHUZGFK-SFHVURJKSA-N 1 0 424.339 2.687 20 0 HFADRO COc1cccc([C@@H](C)N2CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971987 1078029978 /nfs/dbraw/zinc/02/99/78/1078029978.db2.gz DZCCDPHSKMVSKH-MJGOQNOKSA-N 1 0 407.555 2.650 20 0 HFADRO O=C(Nc1cccc(Cl)n1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000792974302 1078030454 /nfs/dbraw/zinc/03/04/54/1078030454.db2.gz YRVZKWLPUPUBHR-UHFFFAOYSA-N 1 0 400.910 2.841 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)c2ccc1Br ZINC000790438319 1078031386 /nfs/dbraw/zinc/03/13/86/1078031386.db2.gz ILGQYCQUFKKXKC-LBPRGKRZSA-N 1 0 423.311 2.520 20 0 HFADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)n2)[NH+]2CCCCC2)cc1 ZINC000792947794 1078032421 /nfs/dbraw/zinc/03/24/21/1078032421.db2.gz PWZPXWDDANATMV-QGZVFWFLSA-N 1 0 400.454 2.511 20 0 HFADRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Br)n2)[NH+](C)C)cc1 ZINC000792948459 1078032511 /nfs/dbraw/zinc/03/25/11/1078032511.db2.gz VBCHDMNTVRNZGQ-OAHLLOKOSA-N 1 0 419.323 2.764 20 0 HFADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)n2)[NH+]2CCCC2)cc1 ZINC000792948472 1078032535 /nfs/dbraw/zinc/03/25/35/1078032535.db2.gz VDGKDDBFGIJBJJ-MRXNPFEDSA-N 1 0 402.882 2.635 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)nc1Br ZINC000792947805 1078032552 /nfs/dbraw/zinc/03/25/52/1078032552.db2.gz QOMKYALQJLIJLM-AWEZNQCLSA-N 1 0 423.286 2.649 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2ccc1Br ZINC000790442657 1078033229 /nfs/dbraw/zinc/03/32/29/1078033229.db2.gz OGSNOJVGLNUHAF-CZUORRHYSA-N 1 0 421.339 2.959 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CC[C@@H](c4nccn4C)C3)c2ccc1Br ZINC000790443630 1078033335 /nfs/dbraw/zinc/03/33/35/1078033335.db2.gz YOCHMBZJEKOFPJ-GFCCVEGCSA-N 1 0 418.295 2.766 20 0 HFADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(Br)n1)[NH+]1CCC(C)CC1 ZINC000792951223 1078033517 /nfs/dbraw/zinc/03/35/17/1078033517.db2.gz DARXGBOPNROQDJ-AWEZNQCLSA-N 1 0 411.344 2.655 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)nc1Br ZINC000792952596 1078033792 /nfs/dbraw/zinc/03/37/92/1078033792.db2.gz KCYLEPLJIYHQTR-CQSZACIVSA-N 1 0 411.344 2.862 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000792955041 1078034901 /nfs/dbraw/zinc/03/49/01/1078034901.db2.gz ACAYVMRJIVHCII-UHFFFAOYSA-N 1 0 417.307 2.517 20 0 HFADRO COc1ccc(OC)c([C@H](O)C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000790457027 1078037264 /nfs/dbraw/zinc/03/72/64/1078037264.db2.gz DWSHZTFZVLBOHO-OAOOKAIFSA-N 1 0 401.503 2.779 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc1Br ZINC000792967624 1078037940 /nfs/dbraw/zinc/03/79/40/1078037940.db2.gz CQVZAYQDGHRPMS-MBNYWOFBSA-N 1 0 411.344 2.574 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cccc(Br)n1 ZINC000792968519 1078038269 /nfs/dbraw/zinc/03/82/69/1078038269.db2.gz MMTSBHNPKWITAW-UHFFFAOYSA-N 1 0 423.286 2.512 20 0 HFADRO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)Nc3ccccc3)CC2)C1 ZINC001170137239 1078041436 /nfs/dbraw/zinc/04/14/36/1078041436.db2.gz NIMQLMWMEVVTQC-RQGSJKACSA-N 1 0 419.591 2.930 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000790486438 1078042553 /nfs/dbraw/zinc/04/25/53/1078042553.db2.gz OMDQLSUCDSRFFD-MJGOQNOKSA-N 1 0 419.570 2.553 20 0 HFADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000806254227 1079522125 /nfs/dbraw/zinc/52/21/25/1079522125.db2.gz RENBSQAUMFBGRT-NHCUHLMSSA-N 1 0 421.557 2.724 20 0 HFADRO COc1cccc(Cl)c1CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000806264613 1079529373 /nfs/dbraw/zinc/52/93/73/1079529373.db2.gz PFHYZJWZLJXLLD-UHFFFAOYSA-N 1 0 403.910 2.685 20 0 HFADRO CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170504635 1079533341 /nfs/dbraw/zinc/53/33/41/1079533341.db2.gz GQFHVQIBHCUTQM-BRWVUGGUSA-N 1 0 414.543 2.696 20 0 HFADRO CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170504637 1079533449 /nfs/dbraw/zinc/53/34/49/1079533449.db2.gz GQFHVQIBHCUTQM-IXDOHACOSA-N 1 0 414.543 2.696 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CCC2 ZINC000806298760 1079549540 /nfs/dbraw/zinc/54/95/40/1079549540.db2.gz OIJGHWCGGDQQID-QKLQHJQFSA-N 1 0 415.582 2.727 20 0 HFADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806303646 1079556404 /nfs/dbraw/zinc/55/64/04/1079556404.db2.gz PXCRDEQCYYWHMJ-FQEVSTJZSA-N 1 0 417.598 2.928 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000806307348 1079560049 /nfs/dbraw/zinc/56/00/49/1079560049.db2.gz CEWSIOSAMSWHCU-UYAOXDASSA-N 1 0 420.554 2.950 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000806308543 1079562588 /nfs/dbraw/zinc/56/25/88/1079562588.db2.gz UVCRRFMRYALCCS-WOJBJXKFSA-N 1 0 404.555 2.858 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000806292577 1079580684 /nfs/dbraw/zinc/58/06/84/1079580684.db2.gz FHXKHWUFQDNUGT-ICSRJNTNSA-N 1 0 418.538 2.752 20 0 HFADRO C[NH+](C)C1(CNC(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CCCCCC1 ZINC000806319986 1079590861 /nfs/dbraw/zinc/59/08/61/1079590861.db2.gz WSIMLGGSTPMNTA-RTBURBONSA-N 1 0 424.586 2.720 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)C(C)(C)C ZINC000806321484 1079593559 /nfs/dbraw/zinc/59/35/59/1079593559.db2.gz VXIGPQVQMZJPHU-UFYCRDLUSA-N 1 0 408.631 2.582 20 0 HFADRO O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747325463 1079597401 /nfs/dbraw/zinc/59/74/01/1079597401.db2.gz KMMDDIYCEOKLBP-AEFFLSMTSA-N 1 0 421.950 2.897 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000806328496 1079601384 /nfs/dbraw/zinc/60/13/84/1079601384.db2.gz GMDMOOXAXMIQTM-WOJBJXKFSA-N 1 0 421.969 2.603 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000806334456 1079606357 /nfs/dbraw/zinc/60/63/57/1079606357.db2.gz PBNMAFJTOCFNGU-JOCHJYFZSA-N 1 0 422.573 2.697 20 0 HFADRO C[C@@]1(NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001130609924 1079629356 /nfs/dbraw/zinc/62/93/56/1079629356.db2.gz NMMXSOBWVOTTMY-ZJSXRUAMSA-N 1 0 406.530 2.715 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000806381730 1079631351 /nfs/dbraw/zinc/63/13/51/1079631351.db2.gz MZDNFAOHUOUEJQ-UHFFFAOYSA-N 1 0 419.533 2.549 20 0 HFADRO CC(C)[N@@H+](Cc1ccc(NC(=O)NCc2cnn(C)n2)cc1)C[C@H]1CCCCO1 ZINC000806389689 1079640958 /nfs/dbraw/zinc/64/09/58/1079640958.db2.gz XAVKYNJVFWTBEV-HXUWFJFHSA-N 1 0 400.527 2.916 20 0 HFADRO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2)cc1 ZINC000806391939 1079642724 /nfs/dbraw/zinc/64/27/24/1079642724.db2.gz WVLKJFSGRXQOPY-QUCCMNQESA-N 1 0 402.583 2.563 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000806359519 1079647830 /nfs/dbraw/zinc/64/78/30/1079647830.db2.gz BMQLSZHIMNPYDX-QRVBRYPASA-N 1 0 412.575 2.576 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000806401102 1079688597 /nfs/dbraw/zinc/68/85/97/1079688597.db2.gz QROSBHORIGHJMV-FQEVSTJZSA-N 1 0 402.539 2.697 20 0 HFADRO COc1ccccc1[C@H](CNC(=O)N=c1ccnc2n(C)[nH]cc1-2)[NH+]1CCCCC1 ZINC000806489768 1079740756 /nfs/dbraw/zinc/74/07/56/1079740756.db2.gz CIWAKEXYDOBBMO-IBGZPJMESA-N 1 0 408.506 2.699 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccnc1-2 ZINC000806490760 1079741968 /nfs/dbraw/zinc/74/19/68/1079741968.db2.gz LXLIWIYYMDCNCH-DFQSSKMNSA-N 1 0 404.518 2.764 20 0 HFADRO O=C(Nc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1)OCC(F)(F)F ZINC000747333184 1079742362 /nfs/dbraw/zinc/74/23/62/1079742362.db2.gz WUVQETJGMYTDBR-UHFFFAOYSA-N 1 0 415.412 2.734 20 0 HFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000806503341 1079753290 /nfs/dbraw/zinc/75/32/90/1079753290.db2.gz OFRSKOXIXFVWLR-ZDEQEGDKSA-N 1 0 417.394 2.565 20 0 HFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OC(F)(F)F)c1 ZINC000806504884 1079755299 /nfs/dbraw/zinc/75/52/99/1079755299.db2.gz FOLXXOXCSVLQQR-QEJZJMRPSA-N 1 0 401.429 2.751 20 0 HFADRO C[NH+](C)CCCCCCCNC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000806541577 1079780713 /nfs/dbraw/zinc/78/07/13/1079780713.db2.gz LLLBHRWLNXTSND-OALUTQOASA-N 1 0 416.566 2.717 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2nc(Cc3ccccc3)no2)cc1 ZINC000806547042 1079785630 /nfs/dbraw/zinc/78/56/30/1079785630.db2.gz COUFKTITGVBAOX-IBGZPJMESA-N 1 0 409.490 2.771 20 0 HFADRO C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc[nH]1 ZINC000806522914 1079799954 /nfs/dbraw/zinc/79/99/54/1079799954.db2.gz QIJPCLXLXSELMG-AWEZNQCLSA-N 1 0 410.440 2.801 20 0 HFADRO CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)C1=O ZINC001130668174 1079818846 /nfs/dbraw/zinc/81/88/46/1079818846.db2.gz DVEZVUIOAAYSDJ-OKZBNKHCSA-N 1 0 414.550 2.607 20 0 HFADRO O=C([C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N1CC[NH+](C2CCOCC2)CC1 ZINC000747334731 1079834232 /nfs/dbraw/zinc/83/42/32/1079834232.db2.gz NRSLAFSYUUMSSF-SFHVURJKSA-N 1 0 412.317 2.810 20 0 HFADRO Cc1cccn(Cc2c(F)cccc2NC(=S)NCC2CC[NH+](C)CC2)c1=O ZINC000806610031 1079853238 /nfs/dbraw/zinc/85/32/38/1079853238.db2.gz SZARTTIRHRCAIX-UHFFFAOYSA-N 1 0 402.539 2.972 20 0 HFADRO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000806659616 1079876700 /nfs/dbraw/zinc/87/67/00/1079876700.db2.gz AWNWXFAYIJYGNX-XZDHIHRUSA-N 1 0 411.546 2.876 20 0 HFADRO O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747343735 1079909455 /nfs/dbraw/zinc/90/94/55/1079909455.db2.gz RVWIVOJZTNNQSW-IRXDYDNUSA-N 1 0 404.898 2.692 20 0 HFADRO COCC[N@H+](C)CCNC(=O)NCc1cccc2c1CCCN2C(=O)OC(C)(C)C ZINC000806692496 1079916699 /nfs/dbraw/zinc/91/66/99/1079916699.db2.gz FNBDBAPHOVUGET-UHFFFAOYSA-N 1 0 420.554 2.752 20 0 HFADRO C[C@H](CCNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[N@H+](C)Cc1ccccc1 ZINC000806731421 1079956706 /nfs/dbraw/zinc/95/67/06/1079956706.db2.gz FDOUJCCEKDZRNS-GOSISDBHSA-N 1 0 411.546 2.557 20 0 HFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806733028 1079958828 /nfs/dbraw/zinc/95/88/28/1079958828.db2.gz IIQFBLJJZVSOFD-UHFFFAOYSA-N 1 0 411.546 2.641 20 0 HFADRO C[C@@H](NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000806733186 1079958938 /nfs/dbraw/zinc/95/89/38/1079958938.db2.gz YWMMHHOTPXXFHR-NQIIRXRSSA-N 1 0 423.557 2.557 20 0 HFADRO CC(C)C(=O)Nc1cc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC001130733710 1079973117 /nfs/dbraw/zinc/97/31/17/1079973117.db2.gz WZWXWPGNNNCMDM-RTWAWAEBSA-N 1 0 422.529 2.792 20 0 HFADRO CCN(C)C(=O)c1cccc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000806773962 1079993275 /nfs/dbraw/zinc/99/32/75/1079993275.db2.gz HCKNJHKZWPBSTH-UHFFFAOYSA-N 1 0 402.539 2.745 20 0 HFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000806778808 1080004421 /nfs/dbraw/zinc/00/44/21/1080004421.db2.gz AAVXJJHXGZHGBI-WOJBJXKFSA-N 1 0 424.586 2.720 20 0 HFADRO O=C(NCCNc1cc[nH+]cc1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801675 1080018218 /nfs/dbraw/zinc/01/82/18/1080018218.db2.gz ZASXJQLDBKEMPE-UHFFFAOYSA-N 1 0 404.190 2.913 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000806815149 1080027709 /nfs/dbraw/zinc/02/77/09/1080027709.db2.gz BACKSCGRJIEDBN-FQEVSTJZSA-N 1 0 402.539 2.991 20 0 HFADRO CN(CCc1nc(-c2ccccc2)no1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806815053 1080028352 /nfs/dbraw/zinc/02/83/52/1080028352.db2.gz ZBQNXQMZWXVEPX-IBGZPJMESA-N 1 0 413.522 2.564 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)ccc2c1 ZINC000806849879 1080035862 /nfs/dbraw/zinc/03/58/62/1080035862.db2.gz JDVULHRSLCLADV-NRFANRHFSA-N 1 0 411.502 2.500 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000806968307 1080136850 /nfs/dbraw/zinc/13/68/50/1080136850.db2.gz AKLXSXIRVMNQKK-ROUUACIJSA-N 1 0 416.566 2.921 20 0 HFADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCc2c(C)cccc2C)c1 ZINC000806942929 1080150305 /nfs/dbraw/zinc/15/03/05/1080150305.db2.gz JUVCLXMCDVPNOK-UHFFFAOYSA-N 1 0 410.518 2.839 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000806945005 1080155158 /nfs/dbraw/zinc/15/51/58/1080155158.db2.gz GRKPVRGBZRGFLQ-IRXDYDNUSA-N 1 0 420.554 2.673 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000806953103 1080163486 /nfs/dbraw/zinc/16/34/86/1080163486.db2.gz HGWTUJVVJJYSCR-HOJAQTOUSA-N 1 0 402.539 2.960 20 0 HFADRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001130807719 1080176763 /nfs/dbraw/zinc/17/67/63/1080176763.db2.gz ZYDAODGKNSPTGH-UHFFFAOYSA-N 1 0 404.898 2.619 20 0 HFADRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)cc2)C1 ZINC000806978749 1080188354 /nfs/dbraw/zinc/18/83/54/1080188354.db2.gz GKHMPUYEVFBJCR-CYBMUJFWSA-N 1 0 402.882 2.807 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000807054190 1080238290 /nfs/dbraw/zinc/23/82/90/1080238290.db2.gz GCDRFDYZUFNWQG-SXLOBPIMSA-N 1 0 403.592 2.757 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000807056648 1080239566 /nfs/dbraw/zinc/23/95/66/1080239566.db2.gz GWQKCJYLLSLDSJ-VHSSKADRSA-N 1 0 413.534 2.863 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000807068994 1080250854 /nfs/dbraw/zinc/25/08/54/1080250854.db2.gz YIGAENZVCIFLMY-IBGZPJMESA-N 1 0 403.527 2.608 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000807088967 1080265641 /nfs/dbraw/zinc/26/56/41/1080265641.db2.gz UGYXQCFVBQMLCZ-GHTZIAJQSA-N 1 0 401.551 2.509 20 0 HFADRO CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000807089282 1080268658 /nfs/dbraw/zinc/26/86/58/1080268658.db2.gz YBJKHWOHMUMMCQ-NRFANRHFSA-N 1 0 401.551 2.603 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000807092165 1080272443 /nfs/dbraw/zinc/27/24/43/1080272443.db2.gz SVKZDPGOXXLNPU-WOJBJXKFSA-N 1 0 401.551 2.507 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000807093972 1080272826 /nfs/dbraw/zinc/27/28/26/1080272826.db2.gz RIHNZONPIDSNIA-IYOUNJFTSA-N 1 0 405.461 2.776 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000747372720 1080286526 /nfs/dbraw/zinc/28/65/26/1080286526.db2.gz ABYWYOUERQIXND-KURKYZTESA-N 1 0 409.571 2.924 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000807113971 1080290662 /nfs/dbraw/zinc/29/06/62/1080290662.db2.gz JIWQMWYKYJCLSA-APWZRJJASA-N 1 0 414.937 2.686 20 0 HFADRO O=C(CN1CCC=C(c2ccccn2)C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC001170518619 1080297969 /nfs/dbraw/zinc/29/79/69/1080297969.db2.gz GXSYTUVDRVFGJO-UHFFFAOYSA-N 1 0 410.562 2.812 20 0 HFADRO CC[N@H+](CCNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C)CCC(F)(F)F ZINC000807176736 1080330636 /nfs/dbraw/zinc/33/06/36/1080330636.db2.gz GMXVHSKAEDIPJJ-KBPBESRZSA-N 1 0 410.481 2.958 20 0 HFADRO CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C12CCCC2 ZINC000807198642 1080347935 /nfs/dbraw/zinc/34/79/35/1080347935.db2.gz MNPAAHJWDFFPFB-VQTJNVASSA-N 1 0 401.551 2.561 20 0 HFADRO C[NH+](C)CCn1ncc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c1-c1ccccc1 ZINC000807199818 1080348571 /nfs/dbraw/zinc/34/85/71/1080348571.db2.gz ORDYHZNSJGEAEZ-XMMPIXPASA-N 1 0 422.504 2.985 20 0 HFADRO CCNC(=O)C[C@@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807204148 1080350266 /nfs/dbraw/zinc/35/02/66/1080350266.db2.gz WIFDYNLKKVFLGW-REWPJTCUSA-N 1 0 400.567 2.989 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807187512 1080380501 /nfs/dbraw/zinc/38/05/01/1080380501.db2.gz DRDKNFBIQKXVAS-UXHICEINSA-N 1 0 402.539 2.771 20 0 HFADRO NC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1Cl ZINC000807225128 1080384761 /nfs/dbraw/zinc/38/47/61/1080384761.db2.gz CAPFAOVJLCSVNL-BPQIPLTHSA-N 1 0 412.921 2.864 20 0 HFADRO Cc1nc(C(C)(C)NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)sc1C ZINC000807277954 1080433578 /nfs/dbraw/zinc/43/35/78/1080433578.db2.gz DHCBKVUKZBODEX-UHFFFAOYSA-N 1 0 415.563 2.502 20 0 HFADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC=C(c4ccco4)C3)cc2)CC1 ZINC000807299810 1080494617 /nfs/dbraw/zinc/49/46/17/1080494617.db2.gz UJJXXFBZMSUDLH-UHFFFAOYSA-N 1 0 408.502 2.676 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1C)c1ccco1 ZINC000807310397 1080503601 /nfs/dbraw/zinc/50/36/01/1080503601.db2.gz HQNKYVVZRHWIKB-SUMWQHHRSA-N 1 0 416.478 2.950 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cnc(Br)cc1C)c1ccco1 ZINC000807310834 1080504541 /nfs/dbraw/zinc/50/45/41/1080504541.db2.gz UDWJFAKCKOWUQD-GXTWGEPZSA-N 1 0 423.311 2.930 20 0 HFADRO CCN1CCN(C(=O)C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000807319174 1080512500 /nfs/dbraw/zinc/51/25/00/1080512500.db2.gz UPGZLOZVSOXXCF-MRXNPFEDSA-N 1 0 418.538 2.545 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000807359123 1080520046 /nfs/dbraw/zinc/52/00/46/1080520046.db2.gz SJSYSIKPEGRJOB-UHFFFAOYSA-N 1 0 411.344 2.816 20 0 HFADRO Cc1ccc([C@H](O)[C@@H](C)NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000807342410 1080548114 /nfs/dbraw/zinc/54/81/14/1080548114.db2.gz WZAIJHATDPPAEA-XMSQKQJNSA-N 1 0 409.530 2.810 20 0 HFADRO Cc1ccc([C@H](O)[C@H](C)NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000807348014 1080553673 /nfs/dbraw/zinc/55/36/73/1080553673.db2.gz SCPOHXPKDIDSCO-PGRDOPGGSA-N 1 0 409.530 2.810 20 0 HFADRO CCOC(=O)c1ccnc(N=C2CC[N@@H+](Cc3ccccc3)CC2C(=O)OCC)n1 ZINC001170522520 1080577810 /nfs/dbraw/zinc/57/78/10/1080577810.db2.gz NUFNCNLMQMGDGZ-UHFFFAOYSA-N 1 0 410.474 2.788 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccc(SC(F)F)nc1)c1ccc(F)cc1 ZINC000807486453 1080668808 /nfs/dbraw/zinc/66/88/08/1080668808.db2.gz REABVMSNVCZJFN-CQSZACIVSA-N 1 0 412.437 2.893 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)nc1Br ZINC000807486774 1080670256 /nfs/dbraw/zinc/67/02/56/1080670256.db2.gz WVCJVUVFJKSEMH-AWEZNQCLSA-N 1 0 423.286 2.649 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NCCC3(F)CCC3)cc2)CC1 ZINC000807490127 1080678646 /nfs/dbraw/zinc/67/86/46/1080678646.db2.gz NXWODKBGROAVBY-UHFFFAOYSA-N 1 0 404.530 2.802 20 0 HFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl)[NH+](C)C ZINC000807492102 1080681161 /nfs/dbraw/zinc/68/11/61/1080681161.db2.gz LGKJEYKCXZATDS-ACJLOTCBSA-N 1 0 409.939 2.717 20 0 HFADRO CN(C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000807498874 1080696072 /nfs/dbraw/zinc/69/60/72/1080696072.db2.gz ZAXLGRLBEIIIJT-WIOPSUGQSA-N 1 0 423.557 2.523 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000807503237 1080701353 /nfs/dbraw/zinc/70/13/53/1080701353.db2.gz AMOUPZSTXVWHIF-HYBUGGRVSA-N 1 0 415.578 2.515 20 0 HFADRO C[NH+](C)CCCC1CCN(C(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 ZINC000807510138 1080715334 /nfs/dbraw/zinc/71/53/34/1080715334.db2.gz CGNZUKBYHLJLBR-UHFFFAOYSA-N 1 0 415.578 2.513 20 0 HFADRO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000807543309 1080758891 /nfs/dbraw/zinc/75/88/91/1080758891.db2.gz FINOVWVNOVGCGZ-UKRRQHHQSA-N 1 0 406.408 2.818 20 0 HFADRO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)cc2C1 ZINC000807543635 1080760194 /nfs/dbraw/zinc/76/01/94/1080760194.db2.gz JWYCSGXZPOGWTB-USCONSEESA-N 1 0 407.514 2.518 20 0 HFADRO COC[C@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000807551362 1080766326 /nfs/dbraw/zinc/76/63/26/1080766326.db2.gz RVPPVLXMKKCTFH-JBYIUTFZSA-N 1 0 424.586 2.671 20 0 HFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCCC3(F)F)cc2F)CC1 ZINC000807521504 1080773480 /nfs/dbraw/zinc/77/34/80/1080773480.db2.gz GQVPXXBWVMGNSB-QGZVFWFLSA-N 1 0 412.456 2.599 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807582540 1080793696 /nfs/dbraw/zinc/79/36/96/1080793696.db2.gz PEFRXTNLRQBMCW-CRAIPNDOSA-N 1 0 420.966 2.954 20 0 HFADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)[C@H]1c1cccs1 ZINC000807582916 1080795557 /nfs/dbraw/zinc/79/55/57/1080795557.db2.gz WJQAYDHRKQPCDQ-UWVAXJGDSA-N 1 0 412.559 2.658 20 0 HFADRO CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cncn1C ZINC001130995845 1080799288 /nfs/dbraw/zinc/79/92/88/1080799288.db2.gz MYOJLHYODGJHLQ-FDKIHUSFSA-N 1 0 400.567 2.722 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000807556026 1080806818 /nfs/dbraw/zinc/80/68/18/1080806818.db2.gz JVNYCHUNWUYPFV-KRWDZBQOSA-N 1 0 406.958 2.630 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000807558870 1080813000 /nfs/dbraw/zinc/81/30/00/1080813000.db2.gz HWGRTZWYRQLCAR-UHFFFAOYSA-N 1 0 406.958 2.822 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807558750 1080813018 /nfs/dbraw/zinc/81/30/18/1080813018.db2.gz GPPVPMGPCAIGCD-AEFFLSMTSA-N 1 0 414.937 2.686 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000807561061 1080816230 /nfs/dbraw/zinc/81/62/30/1080816230.db2.gz YTVJYTZFADWENY-UHFFFAOYSA-N 1 0 414.937 2.783 20 0 HFADRO CCOC(=O)Nc1ccc2c(C[NH2+]C3(CO)Cc4ccccc4C3)cc(=O)oc2c1 ZINC000733896772 1126106366 /nfs/dbraw/zinc/10/63/66/1126106366.db2.gz WIIBJTRFXWTLBA-UHFFFAOYSA-N 1 0 408.454 2.981 20 0 HFADRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC001198218367 1126154588 /nfs/dbraw/zinc/15/45/88/1126154588.db2.gz GDHCAZZYFUBZJV-IBGZPJMESA-N 1 0 420.282 2.679 20 0 HFADRO CCOC(=O)Cn1cc(C[NH2+][C@H](CO)Cc2ccccc2C)c(-c2cccnc2)n1 ZINC001462105304 1126197435 /nfs/dbraw/zinc/19/74/35/1126197435.db2.gz QFIQFWMKGOMFIJ-NRFANRHFSA-N 1 0 408.502 2.510 20 0 HFADRO COC(=O)C1(c2ccc(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)cc2)CC1 ZINC001473840346 1126200954 /nfs/dbraw/zinc/20/09/54/1126200954.db2.gz VYSOZIOTPZZYCC-HSZRJFAPSA-N 1 0 413.514 2.992 20 0 HFADRO COC1(c2nc(CC(F)(F)F)no2)CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000583615882 560776268 /nfs/dbraw/zinc/77/62/68/560776268.db2.gz JAHZWOUDJKADEH-AWEZNQCLSA-N 1 0 403.376 2.985 20 0 HFADRO C(c1nc2sc3c(c2c(N2CCOCC24C[NH2+]C4)n1)CCCC3)N1CCCCC1 ZINC001164402709 718860447 /nfs/dbraw/zinc/86/04/47/718860447.db2.gz LRWNZPUTWUVTTJ-UHFFFAOYSA-N 1 0 413.591 2.735 20 0 HFADRO O=C1NCCN(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)C12C[NH2+]C2 ZINC001164414796 718879237 /nfs/dbraw/zinc/87/92/37/718879237.db2.gz XFHVFPPLPVVUDY-UHFFFAOYSA-N 1 0 413.255 2.879 20 0 HFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H]4C[C@@]4([NH3+])C3)c2c1C ZINC001164417432 718888378 /nfs/dbraw/zinc/88/83/78/718888378.db2.gz JRNRXEKWPORBHD-SPLOXXLWSA-N 1 0 415.563 2.700 20 0 HFADRO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164423495 718918603 /nfs/dbraw/zinc/91/86/03/718918603.db2.gz HPCNVWFKOWIWOA-LJQANCHMSA-N 1 0 424.879 2.927 20 0 HFADRO CS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)cnc1Cl ZINC001164429894 718948364 /nfs/dbraw/zinc/94/83/64/718948364.db2.gz QMGXCVCCBZQUES-GJZGRUSLSA-N 1 0 413.877 2.759 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164433785 718967790 /nfs/dbraw/zinc/96/77/90/718967790.db2.gz NFGXHAFZDUZBPR-UONOGXRCSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cccnc1Cl)C2 ZINC001164432630 718967791 /nfs/dbraw/zinc/96/77/91/718967791.db2.gz HZXLEUQFMWWYOL-KBPBESRZSA-N 1 0 413.774 2.801 20 0 HFADRO CCOC(=O)/C=C\c1cccnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614461 719022338 /nfs/dbraw/zinc/02/23/38/719022338.db2.gz SYPPEXNODQXKPF-FPLPWBNLSA-N 1 0 415.534 2.902 20 0 HFADRO CCOC(=O)/C=C\c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164616977 719029188 /nfs/dbraw/zinc/02/91/88/719029188.db2.gz GQMKCAVMVQRMKR-VURMDHGXSA-N 1 0 415.534 2.902 20 0 HFADRO COC(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1C(=O)OC ZINC001164629562 719059933 /nfs/dbraw/zinc/05/99/33/719059933.db2.gz XWGUKOUMTZXRDB-HKUYNNGSSA-N 1 0 409.486 2.756 20 0 HFADRO CC(C)NS(=O)(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164627915 719097167 /nfs/dbraw/zinc/09/71/67/719097167.db2.gz LEHKDDITCCAOKN-FPOVZHCZSA-N 1 0 414.575 2.869 20 0 HFADRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164634517 719237572 /nfs/dbraw/zinc/23/75/72/719237572.db2.gz MTIRJYKSJAWCHJ-GJZGRUSLSA-N 1 0 401.580 2.541 20 0 HFADRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC001164634522 719237611 /nfs/dbraw/zinc/23/76/11/719237611.db2.gz MTIRJYKSJAWCHJ-HUUCEWRRSA-N 1 0 401.580 2.541 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCC3CCCC3)n2)CC1 ZINC001164659686 719343386 /nfs/dbraw/zinc/34/33/86/719343386.db2.gz DOUAURUSOLYAMJ-QTEQDKRBSA-N 1 0 400.567 2.776 20 0 HFADRO CN(C[C@H](O)CO)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001164666776 719365588 /nfs/dbraw/zinc/36/55/88/719365588.db2.gz HKVGNCQGGPSSDR-KRWDZBQOSA-N 1 0 417.937 2.546 20 0 HFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC000301642840 719463921 /nfs/dbraw/zinc/46/39/21/719463921.db2.gz HAGVHHMUVSWLMK-JKSUJKDBSA-N 1 0 408.531 2.546 20 0 HFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC000301642839 719465027 /nfs/dbraw/zinc/46/50/27/719465027.db2.gz HAGVHHMUVSWLMK-HZPDHXFCSA-N 1 0 408.531 2.546 20 0 HFADRO COC(=O)C[C@H](c1ccnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1)C1CC1 ZINC001164680121 719637139 /nfs/dbraw/zinc/63/71/39/719637139.db2.gz OVUBMDFDKLOWHF-IBGZPJMESA-N 1 0 411.550 2.810 20 0 HFADRO CC(C)N(C)Cc1nn(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cn2)c2c1CC[NH2+]C2 ZINC001164680565 719637849 /nfs/dbraw/zinc/63/78/49/719637849.db2.gz WEDSYEBXIXCTAQ-QGZVFWFLSA-N 1 0 410.566 2.625 20 0 HFADRO COc1ccc(-c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)c(OC)c1 ZINC001164680607 719644334 /nfs/dbraw/zinc/64/43/34/719644334.db2.gz YDVDXOFZAJQHGS-UHFFFAOYSA-N 1 0 422.533 2.832 20 0 HFADRO COc1cncnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682656 719662684 /nfs/dbraw/zinc/66/26/84/719662684.db2.gz SMHSSVRHQMGKJB-SFHVURJKSA-N 1 0 423.561 2.579 20 0 HFADRO Cc1ccnnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681783 719662968 /nfs/dbraw/zinc/66/29/68/719662968.db2.gz QWKOLXZMQCECQV-IBGZPJMESA-N 1 0 407.562 2.878 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164687502 719720999 /nfs/dbraw/zinc/72/09/99/719720999.db2.gz YKQZGMIQTZEOCH-UHFFFAOYSA-N 1 0 407.518 2.515 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164686581 719734522 /nfs/dbraw/zinc/73/45/22/719734522.db2.gz PLSQDBSYHJKOSL-UHFFFAOYSA-N 1 0 422.307 2.595 20 0 HFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164689866 719748189 /nfs/dbraw/zinc/74/81/89/719748189.db2.gz MRHVHVWDEYUAMM-UHFFFAOYSA-N 1 0 411.575 2.950 20 0 HFADRO CNC(=O)c1cc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164700758 719816271 /nfs/dbraw/zinc/81/62/71/719816271.db2.gz MNIJFLNHSWLYOT-UHFFFAOYSA-N 1 0 420.970 2.890 20 0 HFADRO CCOC(=O)c1cncc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696065 719891284 /nfs/dbraw/zinc/89/12/84/719891284.db2.gz VUOXQTYASMKKES-UHFFFAOYSA-N 1 0 402.520 2.586 20 0 HFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164811267 720078430 /nfs/dbraw/zinc/07/84/30/720078430.db2.gz NMUJHWXOCUILOX-MHECFPHRSA-N 1 0 424.545 2.991 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3c1ncn3C)CC2 ZINC001164710174 720103074 /nfs/dbraw/zinc/10/30/74/720103074.db2.gz GRANVAZGNJIIOM-IBGZPJMESA-N 1 0 406.534 2.871 20 0 HFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164809996 720114167 /nfs/dbraw/zinc/11/41/67/720114167.db2.gz JCOJWWNAFHJRAW-DVECYGJZSA-N 1 0 424.545 2.991 20 0 HFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(N3CCCC3)n1)CC2 ZINC001164710428 720130559 /nfs/dbraw/zinc/13/05/59/720130559.db2.gz BIFDTXRIPHRGLG-OAQYLSRUSA-N 1 0 422.577 2.979 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)nc(-c3ccccc3)n1)C2 ZINC001164809626 720132849 /nfs/dbraw/zinc/13/28/49/720132849.db2.gz HSVDSCKWAGUUEG-AUSIDOKSSA-N 1 0 409.534 2.732 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(F)c(OC)cc31)C2 ZINC001164813892 720141090 /nfs/dbraw/zinc/14/10/90/720141090.db2.gz RMFXCFZIOKTKRA-OPAMFIHVSA-N 1 0 400.498 2.962 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)NC(C)(C)C)ccn1)C2 ZINC001164813803 720147577 /nfs/dbraw/zinc/14/75/77/720147577.db2.gz QQUKIWYVOUAEEA-XXBNENTESA-N 1 0 400.567 2.795 20 0 HFADRO Cn1nnc2c1CCN(c1ncc(Cl)cc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712879 720167751 /nfs/dbraw/zinc/16/77/51/720167751.db2.gz HEGIXWARTJJLHH-MRXNPFEDSA-N 1 0 411.337 2.733 20 0 HFADRO COc1ccc2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2c1 ZINC001164715440 720186814 /nfs/dbraw/zinc/18/68/14/720186814.db2.gz CEGJYONQEUBXAD-NRFANRHFSA-N 1 0 422.533 2.588 20 0 HFADRO CCSc1ccnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164713899 720202466 /nfs/dbraw/zinc/20/24/66/720202466.db2.gz FGZJZXSGYQMWAZ-SFHVURJKSA-N 1 0 402.568 2.538 20 0 HFADRO CSc1cnc(Cl)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813555 720225550 /nfs/dbraw/zinc/22/55/50/720225550.db2.gz PBEBQILNNPDIEM-UHFFFAOYSA-N 1 0 408.959 2.659 20 0 HFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3sc4c(c31)CCC4)CCC2 ZINC001164813335 720235246 /nfs/dbraw/zinc/23/52/46/720235246.db2.gz MYHBGKMTXNNYGU-UHFFFAOYSA-N 1 0 424.574 2.987 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164820879 720284657 /nfs/dbraw/zinc/28/46/57/720284657.db2.gz YKVLYFHBCBSRRO-RTBURBONSA-N 1 0 400.571 2.517 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nccc(Cl)n2)CC1 ZINC001164821300 720298091 /nfs/dbraw/zinc/29/80/91/720298091.db2.gz JVCCAVWOYAIBEQ-CABCVRRESA-N 1 0 413.900 2.586 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3cccnc32)CC1 ZINC001164821344 720304652 /nfs/dbraw/zinc/30/46/52/720304652.db2.gz KAQBZGLZLXMAJN-IRXDYDNUSA-N 1 0 414.941 2.590 20 0 HFADRO Cc1nc2cc(F)ccc2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823124 720306965 /nfs/dbraw/zinc/30/69/65/720306965.db2.gz OPYMRCFIGXLANA-LEWJYISDSA-N 1 0 411.525 2.989 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164832422 720318425 /nfs/dbraw/zinc/31/84/25/720318425.db2.gz SYFWFQHJYZXDOS-LSDHHAIUSA-N 1 0 409.987 2.763 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nnc(Cl)c3cccnc32)CC1 ZINC001164824746 720319768 /nfs/dbraw/zinc/31/97/68/720319768.db2.gz DBQBRMNIUKMVBI-IAGOWNOFSA-N 1 0 414.941 2.590 20 0 HFADRO COc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc21 ZINC001164823246 720324343 /nfs/dbraw/zinc/32/43/43/720324343.db2.gz ACYKYFXLQSPBEY-PMACEKPBSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cncc(Cl)n2)CC1 ZINC001164826182 720331718 /nfs/dbraw/zinc/33/17/18/720331718.db2.gz FNSMHPAIMCILIS-GJZGRUSLSA-N 1 0 413.900 2.586 20 0 HFADRO CCCSc1cncc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164821555 720343675 /nfs/dbraw/zinc/34/36/75/720343675.db2.gz AWVCVIIHAFCYQV-QZTJIDSGSA-N 1 0 403.596 2.890 20 0 HFADRO c1cc2nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc(N3CCOCC3)c2s1 ZINC001164729882 720348930 /nfs/dbraw/zinc/34/89/30/720348930.db2.gz YTUBGJSIXNZSMY-MOPGFXCFSA-N 1 0 422.558 2.776 20 0 HFADRO CSc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(SC)n1 ZINC001164828290 720353705 /nfs/dbraw/zinc/35/37/05/720353705.db2.gz OBSXJOSNJLQQGV-HZPDHXFCSA-N 1 0 421.636 2.832 20 0 HFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164730251 720427658 /nfs/dbraw/zinc/42/76/58/720427658.db2.gz IXZSLOMQHJWTHF-CABCVRRESA-N 1 0 412.881 2.646 20 0 HFADRO O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3C[NH+]3CCCC3)CC[C@@H]21)N1CCCCC1 ZINC001164840775 720503106 /nfs/dbraw/zinc/50/31/06/720503106.db2.gz XLPRXPCCWUMVDE-FSSWDIPSSA-N 1 0 412.578 2.921 20 0 HFADRO COC(=O)c1cc(F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834886 720512348 /nfs/dbraw/zinc/51/23/48/720512348.db2.gz HVOPCNVGXGCRRM-VDZJLULYSA-N 1 0 401.486 2.582 20 0 HFADRO CCOC(=O)Cc1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835711 720517666 /nfs/dbraw/zinc/51/76/66/720517666.db2.gz KGHUFSNPYNKZND-NJDAHSKKSA-N 1 0 411.550 2.762 20 0 HFADRO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164834711 720546986 /nfs/dbraw/zinc/54/69/86/720546986.db2.gz FXHCJKAZCIVHBH-PWRODBHTSA-N 1 0 411.550 2.762 20 0 HFADRO CCOC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C ZINC001164835824 720555602 /nfs/dbraw/zinc/55/56/02/720555602.db2.gz IALSGIUGFUQGKX-GBESFXJTSA-N 1 0 412.538 2.536 20 0 HFADRO CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164836818 720562132 /nfs/dbraw/zinc/56/21/32/720562132.db2.gz LGBTWRIVXALKGH-GUDVDZBRSA-N 1 0 412.586 2.635 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc4c3CNC4=O)CC[C@@H]21 ZINC001164836320 720563935 /nfs/dbraw/zinc/56/39/35/720563935.db2.gz JODJGODOHPZZER-VKJFTORMSA-N 1 0 414.941 2.553 20 0 HFADRO CSc1nc2ncnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2s1 ZINC001164727229 720573513 /nfs/dbraw/zinc/57/35/13/720573513.db2.gz CJZNAENNSCNPGD-UHFFFAOYSA-N 1 0 401.565 2.663 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN([C@H](F)Oc3cncc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837720 720633053 /nfs/dbraw/zinc/63/30/53/720633053.db2.gz IPRUYNIWJNCFGT-OLMMMNRUSA-N 1 0 408.909 2.832 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H](F)Oc3ccc(Cl)nn3)CC[C@@H]21 ZINC001164841997 720649306 /nfs/dbraw/zinc/64/93/06/720649306.db2.gz ROJFMYCKGSGTRH-DRMAHVMPSA-N 1 0 408.909 2.832 20 0 HFADRO Cc1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164740078 720665756 /nfs/dbraw/zinc/66/57/56/720665756.db2.gz PPCKHFBNVAJARI-CHWSQXEVSA-N 1 0 402.911 2.785 20 0 HFADRO COc1nc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837593 720677041 /nfs/dbraw/zinc/67/70/41/720677041.db2.gz DGDLXQPZNJBLJA-INIZCTEOSA-N 1 0 403.914 2.794 20 0 HFADRO Fc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1F ZINC001164737771 720679255 /nfs/dbraw/zinc/67/92/55/720679255.db2.gz GWOLGSYQEWKKBH-VXGBXAGGSA-N 1 0 418.835 2.693 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(S(C)(=O)=O)cn1)CC2 ZINC001164836477 720707965 /nfs/dbraw/zinc/70/79/65/720707965.db2.gz BGSPYJKVTZXYDV-IBGZPJMESA-N 1 0 415.559 2.745 20 0 HFADRO CCOC(=O)c1cc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737171 720728030 /nfs/dbraw/zinc/72/80/30/720728030.db2.gz AJBREFAWMFIZCD-QZTJIDSGSA-N 1 0 419.485 2.543 20 0 HFADRO CC(C)(C)OC(=O)Nc1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746965 720751445 /nfs/dbraw/zinc/75/14/45/720751445.db2.gz ZKGSCFLIRWKEEU-IAGOWNOFSA-N 1 0 412.494 2.561 20 0 HFADRO Clc1cccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164738692 720765723 /nfs/dbraw/zinc/76/57/23/720765723.db2.gz GWDHRONNXBAGIL-QZTJIDSGSA-N 1 0 408.893 2.929 20 0 HFADRO Fc1ccc2c(Cl)nnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164748299 720790708 /nfs/dbraw/zinc/79/07/08/720790708.db2.gz QNPKPPMBMQQWAK-KBPBESRZSA-N 1 0 400.845 2.554 20 0 HFADRO Cc1cc(-c2ccccc2F)nnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164752657 720801499 /nfs/dbraw/zinc/80/14/99/720801499.db2.gz ZNURLOZYLNDMLB-IAGOWNOFSA-N 1 0 406.465 2.723 20 0 HFADRO Cc1c(Cl)nc(C2CCC2)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746066 720802378 /nfs/dbraw/zinc/80/23/78/720802378.db2.gz LROHXTKCNSELKE-HOTGVXAUSA-N 1 0 400.914 2.838 20 0 HFADRO Cc1nc2ccsc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164750057 720809312 /nfs/dbraw/zinc/80/93/12/720809312.db2.gz VBZCJCANBGSZOO-ZHALLVOQSA-N 1 0 409.563 2.971 20 0 HFADRO COc1ccc2cnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164741777 720821529 /nfs/dbraw/zinc/82/15/29/720821529.db2.gz OFTWBRHPOOHGRZ-NNMXDRDESA-N 1 0 419.533 2.609 20 0 HFADRO COc1cc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738800 720822285 /nfs/dbraw/zinc/82/22/85/720822285.db2.gz GTXVKHIPTPGRDQ-IXDOHACOSA-N 1 0 402.930 2.715 20 0 HFADRO Clc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743341 720825797 /nfs/dbraw/zinc/82/57/97/720825797.db2.gz SHESNRRYKJANID-SOUVJXGZSA-N 1 0 408.337 2.754 20 0 HFADRO COc1cc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739272 720826051 /nfs/dbraw/zinc/82/60/51/720826051.db2.gz HWXICWPFRZOENO-CGTJXYLNSA-N 1 0 402.930 2.715 20 0 HFADRO Clc1nc2cccnc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743251 720827791 /nfs/dbraw/zinc/82/77/91/720827791.db2.gz RPNHBAVCJIABCJ-XYJFISCASA-N 1 0 424.940 2.649 20 0 HFADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164746088 720828911 /nfs/dbraw/zinc/82/89/11/720828911.db2.gz XXMQBBJIINWNGH-YTXYEVPYSA-N 1 0 420.920 2.833 20 0 HFADRO Clc1cc(C2CC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740741 720830994 /nfs/dbraw/zinc/83/09/94/720830994.db2.gz LCYMJTTVWCPFBO-ZHALLVOQSA-N 1 0 413.957 2.978 20 0 HFADRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164747692 720838002 /nfs/dbraw/zinc/83/80/02/720838002.db2.gz RJDCLHIPYRLFBZ-FRQCXROJSA-N 1 0 402.930 2.715 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740427 720843961 /nfs/dbraw/zinc/84/39/61/720843961.db2.gz BSKJUYXIIKQNOE-ARFHVFGLSA-N 1 0 419.986 2.823 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@H]2C1 ZINC001164850956 720849476 /nfs/dbraw/zinc/84/94/76/720849476.db2.gz FWIJHAKSUFHGHY-YVEFUNNKSA-N 1 0 412.868 2.735 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@@H]2C1 ZINC001164853371 720877863 /nfs/dbraw/zinc/87/78/63/720877863.db2.gz CCTHBWZFDQPFAS-RHSMWYFYSA-N 1 0 416.900 2.726 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)cc(OCc4ccccc4)n3)CC[C@@H]2C1 ZINC001164858575 720885423 /nfs/dbraw/zinc/88/54/23/720885423.db2.gz LFJCKYKCQWBVMH-NHCUHLMSSA-N 1 0 412.534 2.538 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nnc(-c4ccccc4F)cc3C)CC[C@@H]2C1 ZINC001164853866 720887443 /nfs/dbraw/zinc/88/74/43/720887443.db2.gz DHDMFMBQLGEUOM-DYESRHJHSA-N 1 0 400.498 2.765 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@@H]2C1 ZINC001164856917 720892959 /nfs/dbraw/zinc/89/29/59/720892959.db2.gz HYCCGMIYTUZOHP-RDTXWAMCSA-N 1 0 415.912 2.942 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ncc1N1CCOCC1)[C@H]2C ZINC001164857767 720963881 /nfs/dbraw/zinc/96/38/81/720963881.db2.gz HEIXFSMEFBVLOQ-HNNXBMFYSA-N 1 0 419.961 2.585 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(Cl)nc(Cl)nc1C(N)=O)[C@@H]2C ZINC001164857205 720972627 /nfs/dbraw/zinc/97/26/27/720972627.db2.gz DBFOBLCHFDHGLK-SNVBAGLBSA-N 1 0 412.325 2.500 20 0 HFADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(C)CC3)[C@@H]2C ZINC001164863883 721018644 /nfs/dbraw/zinc/01/86/44/721018644.db2.gz VKALNNVGNOEWHJ-CQSZACIVSA-N 1 0 403.962 2.736 20 0 HFADRO COC(=O)c1ccc2c(ccnc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866373 721076863 /nfs/dbraw/zinc/07/68/63/721076863.db2.gz SVVKXAPECARKES-SFTDATJTSA-N 1 0 418.497 2.896 20 0 HFADRO CSc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CCCC2 ZINC001164865687 721081896 /nfs/dbraw/zinc/08/18/96/721081896.db2.gz OHJXBGZDEBHIJD-QZTJIDSGSA-N 1 0 411.575 2.952 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CSCC5)C[C@H]3C2)cn1 ZINC001164763698 721086853 /nfs/dbraw/zinc/08/68/53/721086853.db2.gz GRIWMYBOSWYPJO-HUUCEWRRSA-N 1 0 404.971 2.611 20 0 HFADRO Clc1nc2ncsc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164863320 721091935 /nfs/dbraw/zinc/09/19/35/721091935.db2.gz BSJSVANCWANCPH-ZIAGYGMSSA-N 1 0 402.911 2.614 20 0 HFADRO CCOC(=O)c1c(C)cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C ZINC001164865480 721103185 /nfs/dbraw/zinc/10/31/85/721103185.db2.gz LOXNGRDYKWSTSG-VQTJNVASSA-N 1 0 410.518 2.750 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164765654 721108461 /nfs/dbraw/zinc/10/84/61/721108461.db2.gz JYNIDVQMRGTITF-QZTJIDSGSA-N 1 0 409.925 2.884 20 0 HFADRO COc1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)n1 ZINC001164772726 721125413 /nfs/dbraw/zinc/12/54/13/721125413.db2.gz VRUOFYDNASSNPM-CABCVRRESA-N 1 0 411.884 2.980 20 0 HFADRO COC(=O)c1ccc2cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164871106 721134696 /nfs/dbraw/zinc/13/46/96/721134696.db2.gz DRHYUMSDOHWOBO-FGZHOGPDSA-N 1 0 418.497 2.896 20 0 HFADRO Cc1nc2c(nc(Cl)nc2N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC001164762675 721145928 /nfs/dbraw/zinc/14/59/28/721145928.db2.gz DDXRAIGMXNHKLW-ZIAGYGMSSA-N 1 0 403.943 2.740 20 0 HFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762076 721148745 /nfs/dbraw/zinc/14/87/45/721148745.db2.gz BUIVBDYFNYJIQY-IRXDYDNUSA-N 1 0 417.941 2.912 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164876524 721161090 /nfs/dbraw/zinc/16/10/90/721161090.db2.gz MZWOOWGUOXZKBK-SFTDATJTSA-N 1 0 402.502 2.722 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5nc4N4CCCC4)C[C@H]3C2)cn1 ZINC001164774388 721190705 /nfs/dbraw/zinc/19/07/05/721190705.db2.gz YTENAAAQOKBASX-WOJBJXKFSA-N 1 0 417.561 2.922 20 0 HFADRO c1ccc(N2CCOC3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2)nc1 ZINC001164874163 721220137 /nfs/dbraw/zinc/22/01/37/721220137.db2.gz SNYUEHCMEYADKU-UHFFFAOYSA-N 1 0 423.561 2.827 20 0 HFADRO CCCSc1ncnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1OC ZINC001164760288 721242424 /nfs/dbraw/zinc/24/24/24/721242424.db2.gz DGBCEXYFPIUMFN-SJORKVTESA-N 1 0 402.568 2.679 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc(C(N)=S)c5ccsc54)C[C@@H]3C2)cn1 ZINC001164769739 721245440 /nfs/dbraw/zinc/24/54/40/721245440.db2.gz ZMABCSGZNPCXIK-CABCVRRESA-N 1 0 412.588 2.622 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4c(Cl)cccc4n3)CC2)C1 ZINC001164869903 721273213 /nfs/dbraw/zinc/27/32/13/721273213.db2.gz TXYPOVQMLWNFPG-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4c3ncn4C)C2)C1 ZINC001164776708 721339726 /nfs/dbraw/zinc/33/97/26/721339726.db2.gz HXSVHKNIWCFPFL-QFIPXVFZSA-N 1 0 410.522 2.692 20 0 HFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cnccc43)C2)C1 ZINC001164779728 721339833 /nfs/dbraw/zinc/33/98/33/721339833.db2.gz UZQXSSZNYHUPIW-QFIPXVFZSA-N 1 0 408.506 2.749 20 0 HFADRO CC(=O)Nc1cccc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780119 721350368 /nfs/dbraw/zinc/35/03/68/721350368.db2.gz ZVITVAODMSZXAD-JOCHJYFZSA-N 1 0 413.522 2.764 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)C3)O2)CC1 ZINC001164885688 721381765 /nfs/dbraw/zinc/38/17/65/721381765.db2.gz CZCXHNIVHHZKEX-VBKZILBWSA-N 1 0 422.936 2.516 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164888506 721384791 /nfs/dbraw/zinc/38/47/91/721384791.db2.gz JPXUIZBMLTUWMW-KBXCAEBGSA-N 1 0 400.354 2.549 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(C5CC5)n4)C3)O2)CC1 ZINC001164888604 721388640 /nfs/dbraw/zinc/38/86/40/721388640.db2.gz KIYCZTOLXZUJHF-UWJYYQICSA-N 1 0 405.974 2.773 20 0 HFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5)nn4)C3)O2)CC1 ZINC001164889205 721391914 /nfs/dbraw/zinc/39/19/14/721391914.db2.gz KXLOLHOPNWCCHS-URXFXBBRSA-N 1 0 407.562 2.909 20 0 HFADRO Cc1c[nH]c2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164892522 721400455 /nfs/dbraw/zinc/40/04/55/721400455.db2.gz YQAKAAYKEZJCJI-IERDGZPVSA-N 1 0 418.973 2.685 20 0 HFADRO CCOc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889911 721408943 /nfs/dbraw/zinc/40/89/43/721408943.db2.gz RVOVGLWRUZTXLG-LAUBAEHRSA-N 1 0 408.974 2.899 20 0 HFADRO CCOc1ccc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891151 721418022 /nfs/dbraw/zinc/41/80/22/721418022.db2.gz VHVXBLXCTQWIBQ-LAUBAEHRSA-N 1 0 408.974 2.899 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893645 721430104 /nfs/dbraw/zinc/43/01/04/721430104.db2.gz JSERHHUKSGDGIE-KXBFYZLASA-N 1 0 412.003 2.617 20 0 HFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ncccc31)CC2 ZINC001164785998 721453194 /nfs/dbraw/zinc/45/31/94/721453194.db2.gz LQFVIMGIFOFURD-LJQANCHMSA-N 1 0 411.550 2.759 20 0 HFADRO CN1Cc2ccccc2CC2(CCN(c3cccc(N4CC[NH+](C)CC4)n3)CC2)C1=O ZINC001164891758 721473627 /nfs/dbraw/zinc/47/36/27/721473627.db2.gz DTMKFHUETSFHDN-UHFFFAOYSA-N 1 0 419.573 2.635 20 0 HFADRO CON(C)C(=O)c1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164795706 721502278 /nfs/dbraw/zinc/50/22/78/721502278.db2.gz JTSQVHAWRLSDHE-UHFFFAOYSA-N 1 0 409.534 2.991 20 0 HFADRO COC(=O)c1ccc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2c1 ZINC001164900737 721517257 /nfs/dbraw/zinc/51/72/57/721517257.db2.gz UNAWGNXOIBQQFE-ICSRJNTNSA-N 1 0 422.460 2.897 20 0 HFADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794524 721521837 /nfs/dbraw/zinc/52/18/37/721521837.db2.gz FNSCSFRXJCLOAE-UHFFFAOYSA-N 1 0 421.524 2.555 20 0 HFADRO CCOC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(C)c1 ZINC001164802304 721542187 /nfs/dbraw/zinc/54/21/87/721542187.db2.gz FXPMOUGELAETRE-HKBOAZHASA-N 1 0 410.518 2.830 20 0 HFADRO CN1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2C1 ZINC001164903553 721564233 /nfs/dbraw/zinc/56/42/33/721564233.db2.gz CHATWEZKYGTUPO-NVXWUHKLSA-N 1 0 417.916 2.599 20 0 HFADRO CN1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2C1 ZINC001164903551 721564615 /nfs/dbraw/zinc/56/46/15/721564615.db2.gz CHATWEZKYGTUPO-DOTOQJQBSA-N 1 0 417.916 2.599 20 0 HFADRO Cc1cncc(COC[C@]23CCC[C@H]2CN(c2ccc(N4CC[NH+](C)CC4)nn2)C3)c1 ZINC001164800343 721600530 /nfs/dbraw/zinc/60/05/30/721600530.db2.gz LFPVSAJZAYHDBM-XUZZJYLKSA-N 1 0 422.577 2.755 20 0 HFADRO C[C@@H]1CN(c2cc(C[NH+](C)C)ccn2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008897 721691678 /nfs/dbraw/zinc/69/16/78/721691678.db2.gz LRGXVWWPZVLEPJ-DHJUGAMNSA-N 1 0 409.534 2.941 20 0 HFADRO CCOC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164906540 721691997 /nfs/dbraw/zinc/69/19/97/721691997.db2.gz NIQLMHXOSXRFHY-HXUWFJFHSA-N 1 0 417.460 2.786 20 0 HFADRO COc1cc(OC)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164903625 721692714 /nfs/dbraw/zinc/69/27/14/721692714.db2.gz AWBNOGUJCUYHRG-IBGZPJMESA-N 1 0 405.449 2.627 20 0 HFADRO COC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1N ZINC001164907414 721696566 /nfs/dbraw/zinc/69/65/66/721696566.db2.gz SJZVRWBTVBXDEE-FQEVSTJZSA-N 1 0 417.460 2.583 20 0 HFADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cn1 ZINC001164903630 721701056 /nfs/dbraw/zinc/70/10/56/721701056.db2.gz AWEVZSXATDDCSV-FQEVSTJZSA-N 1 0 417.460 2.786 20 0 HFADRO CCOC(=O)c1cncc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906590 721701668 /nfs/dbraw/zinc/70/16/68/721701668.db2.gz NOHBUSQWMPWCBZ-FQEVSTJZSA-N 1 0 417.460 2.786 20 0 HFADRO CCNC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164908581 721723734 /nfs/dbraw/zinc/72/37/34/721723734.db2.gz YFVSWCOZXDBOOS-OAQYLSRUSA-N 1 0 415.488 2.964 20 0 HFADRO CCn1cnc2c1ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164913139 721725720 /nfs/dbraw/zinc/72/57/20/721725720.db2.gz UISPVSRJOIDFHX-HXUWFJFHSA-N 1 0 413.476 2.979 20 0 HFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncc3c(n2)-c2ccccc2CC3)CC1 ZINC001165011447 721742658 /nfs/dbraw/zinc/74/26/58/721742658.db2.gz XMWNFZJIOQKYFG-UHFFFAOYSA-N 1 0 405.546 2.765 20 0 HFADRO COc1ccc(-c2cc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ncn2)cc1 ZINC001165011541 721746250 /nfs/dbraw/zinc/74/62/50/721746250.db2.gz YVAPQVSLPZEUCU-UHFFFAOYSA-N 1 0 409.534 2.675 20 0 HFADRO O=C(c1ccco1)N1C[C@@H]2CCCN(c3cccc(OCC[NH+]4CCCC4)n3)[C@@H]2C1 ZINC001165015046 721771680 /nfs/dbraw/zinc/77/16/80/721771680.db2.gz HNUPZQGOCKFOSF-RBUKOAKNSA-N 1 0 410.518 2.890 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001165016495 721778516 /nfs/dbraw/zinc/77/85/16/721778516.db2.gz CYFUICSVEJFDGG-UWJYYQICSA-N 1 0 407.942 2.700 20 0 HFADRO Cc1cnc2n1CCN(C)C21CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1 ZINC001164916437 721814121 /nfs/dbraw/zinc/81/41/21/721814121.db2.gz DLWJEQXYWXHCRE-UHFFFAOYSA-N 1 0 415.973 2.543 20 0 HFADRO CN(C)c1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc2nc[nH]c21 ZINC001165026804 721816263 /nfs/dbraw/zinc/81/62/63/721816263.db2.gz RGGPCTAJBWQXQK-CGTJXYLNSA-N 1 0 406.538 2.551 20 0 HFADRO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165024110 721819151 /nfs/dbraw/zinc/81/91/51/721819151.db2.gz ISHAWFVKCQKQEA-DZFGPLHGSA-N 1 0 409.534 2.714 20 0 HFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc(OC)n2)CC1 ZINC001165019250 721839436 /nfs/dbraw/zinc/83/94/36/721839436.db2.gz BMARMOYCWLQXBU-UHFFFAOYSA-N 1 0 407.902 2.652 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164925709 721855893 /nfs/dbraw/zinc/85/58/93/721855893.db2.gz FQKWBKYAHLJGHN-VHSXEESVSA-N 1 0 416.744 2.595 20 0 HFADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ncc1OCc1ccccc1 ZINC001164926575 721864957 /nfs/dbraw/zinc/86/49/57/721864957.db2.gz RWRDYJVPGYIHFO-ZWKOTPCHSA-N 1 0 401.942 2.924 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164923872 721874010 /nfs/dbraw/zinc/87/40/10/721874010.db2.gz KJUPRLXDRZCWBC-SJORKVTESA-N 1 0 411.884 2.923 20 0 HFADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164922372 721875627 /nfs/dbraw/zinc/87/56/27/721875627.db2.gz GCWDNQWOPSQNMB-RTWAWAEBSA-N 1 0 403.530 2.939 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1c(Cl)nnc(Cl)c1N1CCCCC1 ZINC001164932784 721891035 /nfs/dbraw/zinc/89/10/35/721891035.db2.gz IHMRMCUYCIGXBA-CABCVRRESA-N 1 0 413.397 2.988 20 0 HFADRO C[NH+](C)[C@@H]1CCCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)C1 ZINC001165034273 721896069 /nfs/dbraw/zinc/89/60/69/721896069.db2.gz AIRASUHGEVUMNU-OAHLLOKOSA-N 1 0 401.580 2.543 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC001164940356 721919719 /nfs/dbraw/zinc/91/97/19/721919719.db2.gz ZMRXVCOMEDRFLY-UTKZUKDTSA-N 1 0 407.942 2.843 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5c4[C@H](C)C(=O)N5)CC3)C2)cc1 ZINC001164938979 721927371 /nfs/dbraw/zinc/92/73/71/721927371.db2.gz FTPBQJOMDSABNF-KRWDZBQOSA-N 1 0 407.518 2.712 20 0 HFADRO c1nc2c(nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc2N2CCOCC2)s1 ZINC001165047537 721968168 /nfs/dbraw/zinc/96/81/68/721968168.db2.gz KHMRWPBURSDMMD-MRXNPFEDSA-N 1 0 402.568 2.768 20 0 HFADRO Cc1cc2nc(N3CC[NH+](CCc4ccccn4)CC3)nc(N3CCOCC3)c2s1 ZINC001165055341 722015032 /nfs/dbraw/zinc/01/50/32/722015032.db2.gz FNKHGLDWXPNPGE-UHFFFAOYSA-N 1 0 424.574 2.596 20 0 HFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(N5CCCCC5)nn4)CC3)C2)ccn1 ZINC001164958810 722051694 /nfs/dbraw/zinc/05/16/94/722051694.db2.gz GSICEVZAPBQAOY-UHFFFAOYSA-N 1 0 422.577 2.981 20 0 HFADRO Fc1nc(F)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)n1 ZINC001164961563 722059166 /nfs/dbraw/zinc/05/91/66/722059166.db2.gz LZQYVNHEPVZQRA-UHFFFAOYSA-N 1 0 409.868 2.922 20 0 HFADRO O=C(c1cccnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2)N1CCc2ccccc21 ZINC001164967165 722075507 /nfs/dbraw/zinc/07/55/07/722075507.db2.gz MAVXMQWGJOWFGW-BGYRXZFFSA-N 1 0 404.514 2.584 20 0 HFADRO C[N@H+](Cc1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)nc1)C1CC1 ZINC001164976615 722090872 /nfs/dbraw/zinc/09/08/72/722090872.db2.gz SCQUPYYWUHDCEZ-YLJYHZDGSA-N 1 0 412.559 2.675 20 0 HFADRO Clc1ccc2c(ncnc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164980648 722104608 /nfs/dbraw/zinc/10/46/08/722104608.db2.gz JUEMXTKBHONUSF-AEFFLSMTSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)SCC2 ZINC001164976622 722110596 /nfs/dbraw/zinc/11/05/96/722110596.db2.gz LYHOFNCVLJYYQA-WBVHZDCISA-N 1 0 417.966 2.901 20 0 HFADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972480 722118196 /nfs/dbraw/zinc/11/81/96/722118196.db2.gz FRHWDUZJBQCDHZ-HQRMLTQVSA-N 1 0 406.889 2.985 20 0 HFADRO COc1ccc2c(c1)ncnc2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975628 722118253 /nfs/dbraw/zinc/11/82/53/722118253.db2.gz KBOINCRWEJDADR-XMSQKQJNSA-N 1 0 405.502 2.761 20 0 HFADRO CCOc1c(Cl)ncnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981786 722123116 /nfs/dbraw/zinc/12/31/16/722123116.db2.gz VEHGVNZPKHSSCY-IRXDYDNUSA-N 1 0 403.914 2.651 20 0 HFADRO Fc1ncccc1-c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984237 722131254 /nfs/dbraw/zinc/13/12/54/722131254.db2.gz WPWHUGYTEOYFPR-RXVVDRJESA-N 1 0 420.492 2.800 20 0 HFADRO CSc1ncc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976139 722137298 /nfs/dbraw/zinc/13/72/98/722137298.db2.gz HKBFOFCPPNYMOK-JKSUJKDBSA-N 1 0 405.955 2.974 20 0 HFADRO Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164980252 722138623 /nfs/dbraw/zinc/13/86/23/722138623.db2.gz MEKIFAMVGVJNQE-IFMALSPDSA-N 1 0 416.529 2.969 20 0 HFADRO CC1CCN(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164972802 722142634 /nfs/dbraw/zinc/14/26/34/722142634.db2.gz APSQIFURBVNKHI-FCHUYYIVSA-N 1 0 422.577 2.835 20 0 HFADRO CCNS(=O)(=O)c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1 ZINC001164994406 722207618 /nfs/dbraw/zinc/20/76/18/722207618.db2.gz GEMFNVMCUVUTQO-OAQYLSRUSA-N 1 0 418.538 2.764 20 0 HFADRO CCOC(=O)c1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165001438 722250606 /nfs/dbraw/zinc/25/06/06/722250606.db2.gz QUUYEJAJDXRRFM-UHFFFAOYSA-N 1 0 421.929 2.597 20 0 HFADRO Cc1cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(Cl)n1 ZINC001165000195 722252256 /nfs/dbraw/zinc/25/22/56/722252256.db2.gz LNALRUAPRCNYHS-UHFFFAOYSA-N 1 0 414.888 2.668 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc3nccc(Cl)c3cn1)CCC2 ZINC001164999618 722253043 /nfs/dbraw/zinc/25/30/43/722253043.db2.gz FHOJTOKPGXFPOT-UHFFFAOYSA-N 1 0 400.914 2.968 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(N)cc(Cl)n1)CCC2 ZINC001165002327 722254609 /nfs/dbraw/zinc/25/46/09/722254609.db2.gz NRQCQHWQHRCAOK-UHFFFAOYSA-N 1 0 414.888 2.547 20 0 HFADRO COc1ccccc1-c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncn1 ZINC001165003845 722256841 /nfs/dbraw/zinc/25/68/41/722256841.db2.gz JIQHFBINQBVVCM-UHFFFAOYSA-N 1 0 422.533 2.837 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004160 722257106 /nfs/dbraw/zinc/25/71/06/722257106.db2.gz OQYVBGHAYRXKHW-UHFFFAOYSA-N 1 0 407.522 2.532 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)nc1Br ZINC000793014198 1078049183 /nfs/dbraw/zinc/04/91/83/1078049183.db2.gz LHBDTTRVNGGPKD-UHFFFAOYSA-N 1 0 411.344 2.671 20 0 HFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000793031549 1078051684 /nfs/dbraw/zinc/05/16/84/1078051684.db2.gz KWKRVKSKKMMVTM-QGZVFWFLSA-N 1 0 418.538 2.562 20 0 HFADRO C[C@@]1(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793037471 1078053535 /nfs/dbraw/zinc/05/35/35/1078053535.db2.gz HAOLNPSPVMPFBQ-SIKLNZKXSA-N 1 0 400.523 2.571 20 0 HFADRO Cc1cccc(CC2(O)CCN(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000793023251 1078058646 /nfs/dbraw/zinc/05/86/46/1078058646.db2.gz XPWCYPVFGBRISO-JOCHJYFZSA-N 1 0 415.578 2.717 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000793093637 1078067582 /nfs/dbraw/zinc/06/75/82/1078067582.db2.gz SZBDGQYGJSDHPJ-VQIMIIECSA-N 1 0 402.926 2.902 20 0 HFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1cccc(Br)n1)[NH+](C)C ZINC000793059226 1078069314 /nfs/dbraw/zinc/06/93/14/1078069314.db2.gz WPUXJUFWRQQGKH-DYVFJYSZSA-N 1 0 419.323 2.899 20 0 HFADRO C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC(c3cccnc3)=NO2)CCOCC1)c1ccccc1 ZINC000790635435 1078070853 /nfs/dbraw/zinc/07/08/53/1078070853.db2.gz IKBGXHYHUIRVAK-LAUBAEHRSA-N 1 0 408.502 2.591 20 0 HFADRO CNC(=O)c1ccc(C[NH2+]Cc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1 ZINC000790609249 1078074682 /nfs/dbraw/zinc/07/46/82/1078074682.db2.gz NSANZCWUNAECIR-HSZRJFAPSA-N 1 0 406.486 2.561 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(CCO)Cc1cccnc1Cl ZINC000793153504 1078091799 /nfs/dbraw/zinc/09/17/99/1078091799.db2.gz KDFWXEPFFODHNU-VQIMIIECSA-N 1 0 402.926 2.759 20 0 HFADRO Cn1c2nn(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000772828307 1078090301 /nfs/dbraw/zinc/09/03/01/1078090301.db2.gz MEYKZEVOMWFQPI-MAUKXSAKSA-N 1 0 424.574 2.623 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000790657648 1078095276 /nfs/dbraw/zinc/09/52/76/1078095276.db2.gz PYYCHQOQCVGIAT-RDJZCZTQSA-N 1 0 400.539 2.848 20 0 HFADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)C(F)(F)C1CCOCC1 ZINC000790659911 1078095689 /nfs/dbraw/zinc/09/56/89/1078095689.db2.gz ZEZWWFADRIKCNU-UHFFFAOYSA-N 1 0 400.441 2.847 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CC(c4cccnc4)=NO3)cc2)CC1 ZINC000790661478 1078096270 /nfs/dbraw/zinc/09/62/70/1078096270.db2.gz KFQWOYGUUQRHHP-JOCHJYFZSA-N 1 0 407.518 2.991 20 0 HFADRO O=C1c2cc(Br)ccc2N(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000772827639 1078096896 /nfs/dbraw/zinc/09/68/96/1078096896.db2.gz JKTXPSLJQFLUDZ-DYVFJYSZSA-N 1 0 418.335 2.885 20 0 HFADRO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1nnnn1C1CC1 ZINC000790721313 1078108444 /nfs/dbraw/zinc/10/84/44/1078108444.db2.gz IFYQMRGZKVRMDS-VGOFRKELSA-N 1 0 409.538 2.767 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1nc(Br)ccc1Br ZINC000790768562 1078114640 /nfs/dbraw/zinc/11/46/40/1078114640.db2.gz VJVQFLURCSUTEN-LDYMZIIASA-N 1 0 403.118 2.819 20 0 HFADRO CC(=O)c1ccc(N2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)c(F)c1 ZINC000793269406 1078114685 /nfs/dbraw/zinc/11/46/85/1078114685.db2.gz XXLOMZDWKIYBFG-UHFFFAOYSA-N 1 0 402.514 2.877 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000793290794 1078119213 /nfs/dbraw/zinc/11/92/13/1078119213.db2.gz HMRQJOBXOMETCB-PWRODBHTSA-N 1 0 422.529 2.665 20 0 HFADRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000790739451 1078120398 /nfs/dbraw/zinc/12/03/98/1078120398.db2.gz ZTEYLSGUSLUKCW-NYDSKATKSA-N 1 0 404.501 2.995 20 0 HFADRO CN(C[C@@H]1C[C@H](F)CN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000790782671 1078133255 /nfs/dbraw/zinc/13/32/55/1078133255.db2.gz PMMVKUGUMDEHIY-NXOAAHMSSA-N 1 0 400.539 2.848 20 0 HFADRO O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790801002 1078139086 /nfs/dbraw/zinc/13/90/86/1078139086.db2.gz SIXMPUYMLVCROI-FPOVZHCZSA-N 1 0 416.485 2.857 20 0 HFADRO CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2nc(Cl)cs2)CC1 ZINC000790841983 1078144405 /nfs/dbraw/zinc/14/44/05/1078144405.db2.gz UJRFGCWLBWKHEG-HNNXBMFYSA-N 1 0 404.923 2.532 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000793383931 1078161645 /nfs/dbraw/zinc/16/16/45/1078161645.db2.gz JGYDUKCOAPQMLR-FCHUYYIVSA-N 1 0 400.567 2.751 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000793438600 1078171952 /nfs/dbraw/zinc/17/19/52/1078171952.db2.gz FVOVYNMFXNNVAH-UHFFFAOYSA-N 1 0 400.523 2.920 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000793441561 1078172698 /nfs/dbraw/zinc/17/26/98/1078172698.db2.gz AVHITWXYIRTPRB-UHFFFAOYSA-N 1 0 400.523 2.667 20 0 HFADRO COCC1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793463942 1078179968 /nfs/dbraw/zinc/17/99/68/1078179968.db2.gz LSQTZODOZRFDST-GOSISDBHSA-N 1 0 409.571 2.737 20 0 HFADRO CCOC(=O)c1cnc(N(CC[NH3+])c2nc3ccc(C)cc3n3c(C)cnc23)nc1 ZINC001170145469 1078181776 /nfs/dbraw/zinc/18/17/76/1078181776.db2.gz FEYWLUDTXMESKU-UHFFFAOYSA-N 1 0 405.462 2.563 20 0 HFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000793455298 1078192376 /nfs/dbraw/zinc/19/23/76/1078192376.db2.gz BMWAJVZYFZRRDF-QGZVFWFLSA-N 1 0 416.566 2.740 20 0 HFADRO C[NH+](C)C1(CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)Cc2ccccc2C1 ZINC000793553279 1078208852 /nfs/dbraw/zinc/20/88/52/1078208852.db2.gz KIWAAEFJKFBXAH-SFHVURJKSA-N 1 0 401.551 2.847 20 0 HFADRO COCC1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793551453 1078208855 /nfs/dbraw/zinc/20/88/55/1078208855.db2.gz YHXGVRXOEBBJHM-GOSISDBHSA-N 1 0 409.571 2.594 20 0 HFADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 ZINC000793580150 1078213883 /nfs/dbraw/zinc/21/38/83/1078213883.db2.gz CAXXRDYKIRYNSV-IOMROCGXSA-N 1 0 424.545 2.769 20 0 HFADRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000793606799 1078223716 /nfs/dbraw/zinc/22/37/16/1078223716.db2.gz NLFFOABAQSWPLG-QFIPXVFZSA-N 1 0 416.522 2.916 20 0 HFADRO O=C(NCc1ccn(-c2ccccc2)n1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793661844 1078243736 /nfs/dbraw/zinc/24/37/36/1078243736.db2.gz BCOWGNLHNICRCG-UHFFFAOYSA-N 1 0 423.561 2.649 20 0 HFADRO CCC(CC)[C@@H](CNC(=O)C(=O)NCc1ccn(-c2ccccc2)n1)[NH+]1CCCC1 ZINC000793663404 1078243972 /nfs/dbraw/zinc/24/39/72/1078243972.db2.gz WLOMSVQUZSVBIP-OAQYLSRUSA-N 1 0 411.550 2.505 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000793684402 1078254082 /nfs/dbraw/zinc/25/40/82/1078254082.db2.gz AMYRHPRDNWUBNW-NNMXDRDESA-N 1 0 409.530 2.597 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793684108 1078254479 /nfs/dbraw/zinc/25/44/79/1078254479.db2.gz SOQOSFGMGLDMKT-CTNGQTDRSA-N 1 0 409.530 2.599 20 0 HFADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)N[C@@H](C)COc2ccccc2)CC1 ZINC000793684966 1078255473 /nfs/dbraw/zinc/25/54/73/1078255473.db2.gz FRHVTJUZRBBWHI-FQEVSTJZSA-N 1 0 409.530 2.613 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000793687064 1078256338 /nfs/dbraw/zinc/25/63/38/1078256338.db2.gz PQECBXGDQUNKKP-KNQAVFIVSA-N 1 0 409.530 2.832 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000793687279 1078256351 /nfs/dbraw/zinc/25/63/51/1078256351.db2.gz PQECBXGDQUNKKP-UGKGYDQZSA-N 1 0 409.530 2.832 20 0 HFADRO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c2ccccc2O1 ZINC000793657862 1078259934 /nfs/dbraw/zinc/25/99/34/1078259934.db2.gz NFODGJHRHHWAGC-YJBOKZPZSA-N 1 0 403.523 2.988 20 0 HFADRO Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000793713950 1078261763 /nfs/dbraw/zinc/26/17/63/1078261763.db2.gz QCMZEUPNMMVPRP-IRLDBZIGSA-N 1 0 415.578 2.536 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)N2CCC([C@H](O)c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000793718403 1078263940 /nfs/dbraw/zinc/26/39/40/1078263940.db2.gz JJQZPUZNGJJVJZ-XZOQPEGZSA-N 1 0 423.557 2.686 20 0 HFADRO COc1ccc2oc([C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCCC3)c(C)c2c1 ZINC000793720988 1078265531 /nfs/dbraw/zinc/26/55/31/1078265531.db2.gz RTZSUVCTZZXOIP-ZBFHGGJFSA-N 1 0 401.507 2.918 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCCOCc1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000793724253 1078266705 /nfs/dbraw/zinc/26/67/05/1078266705.db2.gz YGMPWERJZSDHQA-AWEZNQCLSA-N 1 0 416.349 2.617 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000793697864 1078272491 /nfs/dbraw/zinc/27/24/91/1078272491.db2.gz RZKUVOLWBJYARJ-SBHAEUEKSA-N 1 0 409.530 2.739 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000793700286 1078273607 /nfs/dbraw/zinc/27/36/07/1078273607.db2.gz ZBKRXAOGQUEALN-WOJBJXKFSA-N 1 0 409.530 2.693 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NCC1(c2ccccc2Br)CC1)[NH+]1CCCCC1 ZINC000793707090 1078276973 /nfs/dbraw/zinc/27/69/73/1078276973.db2.gz ICBPCDPIWUKHIV-HNNXBMFYSA-N 1 0 422.367 2.588 20 0 HFADRO Cc1nc(SC(F)F)sc1CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000793746332 1078288848 /nfs/dbraw/zinc/28/88/48/1078288848.db2.gz FQHWWKLRCQWINX-TZMCWYRMSA-N 1 0 418.579 2.793 20 0 HFADRO Cc1cccc(OC[C@@H](C)NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000793798849 1078301978 /nfs/dbraw/zinc/30/19/78/1078301978.db2.gz MCJMXSKOVOSXPC-XEVCZEQESA-N 1 0 401.551 2.792 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000793790835 1078298046 /nfs/dbraw/zinc/29/80/46/1078298046.db2.gz NZCSFCPZRCDPRL-HXUWFJFHSA-N 1 0 423.557 2.907 20 0 HFADRO CCOC(=O)c1nn(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccc(Br)cc21 ZINC000793770039 1078306939 /nfs/dbraw/zinc/30/69/39/1078306939.db2.gz VUZZJZALRSKPKK-LJQANCHMSA-N 1 0 421.339 2.961 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000793776569 1078308930 /nfs/dbraw/zinc/30/89/30/1078308930.db2.gz CIEIZGXTLLEXMF-ACRUOGEOSA-N 1 0 415.578 2.992 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)CC1 ZINC000793822245 1078317492 /nfs/dbraw/zinc/31/74/92/1078317492.db2.gz AYMJQDQOERYFMC-HXUWFJFHSA-N 1 0 414.594 2.579 20 0 HFADRO C[NH+](C)CC1(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CCCC1 ZINC000793814602 1078315382 /nfs/dbraw/zinc/31/53/82/1078315382.db2.gz LNNMAWSXPVVLKS-BGYRXZFFSA-N 1 0 424.545 2.817 20 0 HFADRO CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)CC1 ZINC000793824561 1078317776 /nfs/dbraw/zinc/31/77/76/1078317776.db2.gz LISKWWQBFSDLHP-QFIPXVFZSA-N 1 0 414.594 2.660 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)CCC2 ZINC000793931402 1078341211 /nfs/dbraw/zinc/34/12/11/1078341211.db2.gz OHDUPKZIWJLOKP-DKSSEZFCSA-N 1 0 412.559 2.897 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000793875908 1078332198 /nfs/dbraw/zinc/33/21/98/1078332198.db2.gz NAOVMBLZCVGOAY-UHFFFAOYSA-N 1 0 416.610 2.869 20 0 HFADRO Cc1nc2c(s1)[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)CCC2 ZINC000793931404 1078341302 /nfs/dbraw/zinc/34/13/02/1078341302.db2.gz OHDUPKZIWJLOKP-POZUXBRTSA-N 1 0 412.559 2.897 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000793913356 1078336287 /nfs/dbraw/zinc/33/62/87/1078336287.db2.gz QTJZPPCZCMVRCM-UYAOXDASSA-N 1 0 403.567 2.504 20 0 HFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000793913277 1078336493 /nfs/dbraw/zinc/33/64/93/1078336493.db2.gz QQFAFNLOTXTJLR-QXSJWSMHSA-N 1 0 402.564 2.956 20 0 HFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793915616 1078337025 /nfs/dbraw/zinc/33/70/25/1078337025.db2.gz ZQZSWBXDASEYQI-VQQMMKBISA-N 1 0 415.578 2.753 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000793928361 1078340400 /nfs/dbraw/zinc/34/04/00/1078340400.db2.gz ATXUGAITZQUWGG-NQERJWCQSA-N 1 0 411.933 2.875 20 0 HFADRO CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000793948761 1078344638 /nfs/dbraw/zinc/34/46/38/1078344638.db2.gz LAHUWWWQCSIRFD-PMACEKPBSA-N 1 0 407.599 2.526 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)COCc1ccccc1 ZINC000793955048 1078347036 /nfs/dbraw/zinc/34/70/36/1078347036.db2.gz KFMAHJZPPBYCDP-JSRJAPPDSA-N 1 0 415.578 2.869 20 0 HFADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000793957359 1078347313 /nfs/dbraw/zinc/34/73/13/1078347313.db2.gz KVDQTYCRJDNLIX-UYAOXDASSA-N 1 0 409.615 2.961 20 0 HFADRO Cn1ccnc1[C@@](O)(CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C(F)(F)F ZINC000747166842 1078358913 /nfs/dbraw/zinc/35/89/13/1078358913.db2.gz MHJSIGMXXVGWLR-FQEVSTJZSA-N 1 0 424.467 2.976 20 0 HFADRO COCCCN(C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000794052409 1078366368 /nfs/dbraw/zinc/36/63/68/1078366368.db2.gz VQBYVALMEZCKCN-QGZVFWFLSA-N 1 0 423.501 2.551 20 0 HFADRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000794114535 1078373986 /nfs/dbraw/zinc/37/39/86/1078373986.db2.gz GJQIENYNTZALSS-UHFFFAOYSA-N 1 0 411.955 2.506 20 0 HFADRO O=C(NCC[N@H+]1CC=CCC1)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC000794116186 1078374191 /nfs/dbraw/zinc/37/41/91/1078374191.db2.gz RWJMXMSIFHDUIM-KNTRCKAVSA-N 1 0 406.515 2.778 20 0 HFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000794179638 1078381647 /nfs/dbraw/zinc/38/16/47/1078381647.db2.gz CTARFCZITHPTEL-RUYXUALKSA-N 1 0 414.550 2.798 20 0 HFADRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000794207902 1078382631 /nfs/dbraw/zinc/38/26/31/1078382631.db2.gz UHSGOIPSVKQXLG-ZAYGCWILSA-N 1 0 422.529 2.711 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)cc1 ZINC000794152533 1078385213 /nfs/dbraw/zinc/38/52/13/1078385213.db2.gz SRXGDWSDAPTDFH-LEWJYISDSA-N 1 0 417.513 2.858 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001170444957 1078396801 /nfs/dbraw/zinc/39/68/01/1078396801.db2.gz VZFXTAGIYNMGLM-LJQANCHMSA-N 1 0 401.551 2.755 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NC3CC([NH+]4CCCCC4)C3)[nH]n2)C1 ZINC000794210624 1078393870 /nfs/dbraw/zinc/39/38/70/1078393870.db2.gz UEQHACXYDPFGDQ-KLAILNCOSA-N 1 0 417.554 2.881 20 0 HFADRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000794272719 1078398038 /nfs/dbraw/zinc/39/80/38/1078398038.db2.gz XWZCLIHKPHQIIV-HNNXBMFYSA-N 1 0 401.548 2.705 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)c2coc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000794338056 1078418869 /nfs/dbraw/zinc/41/88/69/1078418869.db2.gz FBPPCPOWNXAOJA-UHFFFAOYSA-N 1 0 416.478 2.670 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000794404615 1078436580 /nfs/dbraw/zinc/43/65/80/1078436580.db2.gz NWAGASOOMVBZFL-GOSISDBHSA-N 1 0 424.517 2.687 20 0 HFADRO CCCN(CC[NH+]1CCCCCC1)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC001129469052 1078472131 /nfs/dbraw/zinc/47/21/31/1078472131.db2.gz GAEUIMIKZPOTIE-UHFFFAOYSA-N 1 0 406.571 2.602 20 0 HFADRO CN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129800481 1078476890 /nfs/dbraw/zinc/47/68/90/1078476890.db2.gz OAYUDUPZBPACHT-UHFFFAOYSA-N 1 0 422.451 2.786 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C1 ZINC001129800546 1078476921 /nfs/dbraw/zinc/47/69/21/1078476921.db2.gz PLDOIIWLFVOUMN-WFXMLNOXSA-N 1 0 405.539 2.657 20 0 HFADRO CC(C)CN(C(=O)c1csc(I)n1)C1CC[NH+](C)CC1 ZINC001129459372 1078486246 /nfs/dbraw/zinc/48/62/46/1078486246.db2.gz JNQGGHPOIPIULE-UHFFFAOYSA-N 1 0 407.321 2.940 20 0 HFADRO Cn1cc(/C=C/C(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC001129497664 1078487683 /nfs/dbraw/zinc/48/76/83/1078487683.db2.gz RMTSZVOBRKCEKS-AATRIKPKSA-N 1 0 413.953 2.900 20 0 HFADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCCC[C@@H]3COC(=O)N(C)C)CC2)c1 ZINC000804659864 1078497931 /nfs/dbraw/zinc/49/79/31/1078497931.db2.gz MRHWADHJLOGVFB-OAQYLSRUSA-N 1 0 416.566 2.586 20 0 HFADRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000804441238 1078505231 /nfs/dbraw/zinc/50/52/31/1078505231.db2.gz GJRORXHPXYKTOG-UHFFFAOYSA-N 1 0 413.971 2.828 20 0 HFADRO CCCOc1cn(-c2ccccc2)nc1C(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC001129808487 1078506667 /nfs/dbraw/zinc/50/66/67/1078506667.db2.gz WHSPJOGJXLIPIK-UHFFFAOYSA-N 1 0 413.566 2.807 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c(CC)nn(C)c1Cl ZINC001129813155 1078510961 /nfs/dbraw/zinc/51/09/61/1078510961.db2.gz JUCKXJXMEARMLF-SJLPKXTDSA-N 1 0 404.942 2.903 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001129813149 1078511045 /nfs/dbraw/zinc/51/10/45/1078511045.db2.gz JRMHBROEIDEMNU-AMHTUMDSSA-N 1 0 412.578 2.869 20 0 HFADRO CCOC(=O)c1nc([C@@H]2CCC[NH2+]C2)n([C@H](CC)Cc2ccc3c(c2)OCO3)n1 ZINC001170454652 1078542260 /nfs/dbraw/zinc/54/22/60/1078542260.db2.gz CITJQNHVLOPJKS-HZPDHXFCSA-N 1 0 400.479 2.844 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804509696 1078544904 /nfs/dbraw/zinc/54/49/04/1078544904.db2.gz BZWJRWFQOPRJAV-ILBGXUMGSA-N 1 0 408.542 2.904 20 0 HFADRO COC(=O)c1cnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000804498547 1078553943 /nfs/dbraw/zinc/55/39/43/1078553943.db2.gz QHORNPOHFQCRRU-LJQANCHMSA-N 1 0 409.408 2.936 20 0 HFADRO Cc1csc([C@@H](C)NC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000804500804 1078555200 /nfs/dbraw/zinc/55/52/00/1078555200.db2.gz QGQXTGKSHCPMPX-IIBYNOLFSA-N 1 0 400.548 2.657 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000804523399 1078563043 /nfs/dbraw/zinc/56/30/43/1078563043.db2.gz RPVJANGRAKTUCN-LPHOPBHVSA-N 1 0 418.497 2.790 20 0 HFADRO O=C(NCCS(=O)(=O)C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001129868597 1078565307 /nfs/dbraw/zinc/56/53/07/1078565307.db2.gz XUIQMDBUUQYCFA-RTBURBONSA-N 1 0 418.584 2.657 20 0 HFADRO COCc1csc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC001129872699 1078569252 /nfs/dbraw/zinc/56/92/52/1078569252.db2.gz NFMAIGVNIZBMOZ-UHFFFAOYSA-N 1 0 401.532 2.522 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3cc(Cl)ncc3F)cc2)CC1 ZINC001129872779 1078569276 /nfs/dbraw/zinc/56/92/76/1078569276.db2.gz QAWWQWNSPZUJRZ-UHFFFAOYSA-N 1 0 404.873 2.501 20 0 HFADRO CCCN(CC[NH+]1CCCCCC1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC001129582154 1078571338 /nfs/dbraw/zinc/57/13/38/1078571338.db2.gz VNJORJNEVIBCPJ-QHCPKHFHSA-N 1 0 414.550 2.568 20 0 HFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2)C1 ZINC001129906028 1078578084 /nfs/dbraw/zinc/57/80/84/1078578084.db2.gz VFBMMLPCCQCJTC-SCTDSRPQSA-N 1 0 407.580 2.519 20 0 HFADRO Cc1ncc(CC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)o1 ZINC001129610766 1078581110 /nfs/dbraw/zinc/58/11/10/1078581110.db2.gz AWGHGCLTJOKQMQ-UHFFFAOYSA-N 1 0 402.926 2.992 20 0 HFADRO CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000804535182 1078582770 /nfs/dbraw/zinc/58/27/70/1078582770.db2.gz ISJPXWMCRZQEJP-QFIPXVFZSA-N 1 0 416.518 2.967 20 0 HFADRO CC(=O)N[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC001129914340 1078583192 /nfs/dbraw/zinc/58/31/92/1078583192.db2.gz PNETUOQLITXCDM-KRWDZBQOSA-N 1 0 410.356 2.959 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000804776225 1078601616 /nfs/dbraw/zinc/60/16/16/1078601616.db2.gz YNTJJJSDBZIVKY-INIZCTEOSA-N 1 0 408.543 2.523 20 0 HFADRO C[N@H+](CCCCNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CC1 ZINC001129628737 1078601657 /nfs/dbraw/zinc/60/16/57/1078601657.db2.gz YFXRHJYBFRTUCD-AQTBWJFISA-N 1 0 419.591 2.690 20 0 HFADRO CN(C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564770 1078599639 /nfs/dbraw/zinc/59/96/39/1078599639.db2.gz MSXNSYFSUBXIMC-JWTNVVGKSA-N 1 0 420.517 2.537 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl ZINC000804567002 1078602290 /nfs/dbraw/zinc/60/22/90/1078602290.db2.gz JCZMLQHMLHJXOF-UHFFFAOYSA-N 1 0 401.960 2.586 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000804566615 1078602981 /nfs/dbraw/zinc/60/29/81/1078602981.db2.gz XJSKTIKYUGOZNS-UHFFFAOYSA-N 1 0 410.603 2.700 20 0 HFADRO COCCNC(=O)[C@H](C)OC(=O)c1ccc(NCc2cnc3c(C)cccn23)cc1 ZINC000804609462 1078654201 /nfs/dbraw/zinc/65/42/01/1078654201.db2.gz BDRSNLNDLBDJRP-INIZCTEOSA-N 1 0 410.474 2.563 20 0 HFADRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001129971116 1078664653 /nfs/dbraw/zinc/66/46/53/1078664653.db2.gz UQZBPBMGNVBRDY-IFMALSPDSA-N 1 0 405.502 2.534 20 0 HFADRO COc1ccc(N2C(=O)c3ccccc3/C(=C\N[C@@H](C)C[NH+](C)C)C2=O)cc1OC ZINC000804600575 1078666113 /nfs/dbraw/zinc/66/61/13/1078666113.db2.gz CEUOHVHLBPKJIQ-SJPXOZHESA-N 1 0 409.486 2.771 20 0 HFADRO COCCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001129678331 1078666126 /nfs/dbraw/zinc/66/61/26/1078666126.db2.gz SPBMDEDGGPEIDO-FCHUYYIVSA-N 1 0 400.494 2.963 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000804829810 1078668726 /nfs/dbraw/zinc/66/87/26/1078668726.db2.gz GKRCWHKNZASSTC-UHFFFAOYSA-N 1 0 400.567 2.672 20 0 HFADRO CC(C)[NH2+]C1(CO)CCN(CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001170459363 1078677533 /nfs/dbraw/zinc/67/75/33/1078677533.db2.gz DUKZMBJZPSAMAD-OAHLLOKOSA-N 1 0 417.472 2.587 20 0 HFADRO CC(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1C ZINC001129741801 1078713025 /nfs/dbraw/zinc/71/30/25/1078713025.db2.gz BQTYJPZNXACAGW-UHFFFAOYSA-N 1 0 407.514 2.825 20 0 HFADRO CCCc1ncc(C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC001129741875 1078713514 /nfs/dbraw/zinc/71/35/14/1078713514.db2.gz CLHJTJHIAQQVMG-UHFFFAOYSA-N 1 0 400.548 2.723 20 0 HFADRO COc1ccc(/C=C\C(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC001129742576 1078714451 /nfs/dbraw/zinc/71/44/51/1078714451.db2.gz KZPWJUHXACOWSZ-FLIBITNWSA-N 1 0 407.514 2.722 20 0 HFADRO O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000804635431 1078716764 /nfs/dbraw/zinc/71/67/64/1078716764.db2.gz LOYUOZPIVZHFKM-LEWJYISDSA-N 1 0 415.534 2.792 20 0 HFADRO CCC1([NH+]2CCCC2)CCN(C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001170469537 1078720336 /nfs/dbraw/zinc/72/03/36/1078720336.db2.gz VSUDKXSXEWTADM-UHFFFAOYSA-N 1 0 421.607 2.839 20 0 HFADRO CCOc1ccc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000804856401 1078726774 /nfs/dbraw/zinc/72/67/74/1078726774.db2.gz LDKRXKSYYXPVOL-UHFFFAOYSA-N 1 0 405.514 2.754 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000804902072 1078758422 /nfs/dbraw/zinc/75/84/22/1078758422.db2.gz SNOBJSJFIIRWNO-WOIUINJBSA-N 1 0 403.567 2.949 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000804904051 1078759752 /nfs/dbraw/zinc/75/97/52/1078759752.db2.gz UHPZRSSKBQHDTL-LPHOPBHVSA-N 1 0 413.440 2.961 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000804935176 1078760566 /nfs/dbraw/zinc/76/05/66/1078760566.db2.gz MRBKDHMEQIOCGF-OAQYLSRUSA-N 1 0 416.566 2.714 20 0 HFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)nc2)CC1 ZINC000804944044 1078772301 /nfs/dbraw/zinc/77/23/01/1078772301.db2.gz QLJYNXWDBAKDEQ-INIZCTEOSA-N 1 0 414.937 2.736 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NCc2ccccc2CN2CC[NH+](CC)CC2)cc1 ZINC000804949012 1078777752 /nfs/dbraw/zinc/77/77/52/1078777752.db2.gz GJOTVFGTMYKSKK-DEOSSOPVSA-N 1 0 424.589 2.919 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000804953854 1078780366 /nfs/dbraw/zinc/78/03/66/1078780366.db2.gz BESADFTZUKWLII-JOCHJYFZSA-N 1 0 424.586 2.531 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000804952873 1078779484 /nfs/dbraw/zinc/77/94/84/1078779484.db2.gz XWDFEOOPTUYZNB-HSZRJFAPSA-N 1 0 410.562 2.794 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000804926678 1078782685 /nfs/dbraw/zinc/78/26/85/1078782685.db2.gz NKSMDZFWIYYMFT-PMACEKPBSA-N 1 0 402.539 2.809 20 0 HFADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@H]3COC(=O)NC(C)C)cc2)CC1 ZINC000804929857 1078785559 /nfs/dbraw/zinc/78/55/59/1078785559.db2.gz RPGZWNWBPYQPTM-NRFANRHFSA-N 1 0 416.566 2.958 20 0 HFADRO COCCOCCOCCOCCNc1cc[nH+]c2ccc(C(F)(F)F)cc12 ZINC001170472928 1078805522 /nfs/dbraw/zinc/80/55/22/1078805522.db2.gz BQOJYNKTKRRTNR-UHFFFAOYSA-N 1 0 402.413 2.784 20 0 HFADRO CC(C)N(C(=O)CCn1nnc2ccccc2c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001130055258 1078841171 /nfs/dbraw/zinc/84/11/71/1078841171.db2.gz FDFRRQXZODXNMY-HXUWFJFHSA-N 1 0 419.529 2.693 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000805029196 1078842568 /nfs/dbraw/zinc/84/25/68/1078842568.db2.gz MKVJSBSVWZKTRC-QGZVFWFLSA-N 1 0 408.568 2.738 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000805070265 1078879548 /nfs/dbraw/zinc/87/95/48/1078879548.db2.gz IPPVKOQWLWFCCE-MAUKXSAKSA-N 1 0 401.429 2.735 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000805100044 1078885903 /nfs/dbraw/zinc/88/59/03/1078885903.db2.gz RCFTZVRQLXOJMK-LAUBAEHRSA-N 1 0 412.575 2.576 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C(C)C)ccc1F ZINC000805106417 1078890980 /nfs/dbraw/zinc/89/09/80/1078890980.db2.gz DGMSRTUPAVPZGE-UHFFFAOYSA-N 1 0 400.516 2.887 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(F)cc1Cl ZINC000805111552 1078895989 /nfs/dbraw/zinc/89/59/89/1078895989.db2.gz YGRXYPNGRUQBNV-ABAIWWIYSA-N 1 0 404.891 2.513 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000805123898 1078921890 /nfs/dbraw/zinc/92/18/90/1078921890.db2.gz UCCBDJUBLAETAF-QGZVFWFLSA-N 1 0 405.392 2.524 20 0 HFADRO Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000805132925 1078930525 /nfs/dbraw/zinc/93/05/25/1078930525.db2.gz VFQHHVAADQAELH-XXBNENTESA-N 1 0 415.578 2.951 20 0 HFADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805137838 1078934297 /nfs/dbraw/zinc/93/42/97/1078934297.db2.gz JYFBDOSMBSWOSY-AVRDEDQJSA-N 1 0 424.586 2.530 20 0 HFADRO C[C@]1(F)CCCCN(C(=O)[C@@H]([NH3+])Cc2ccc(I)cc2)C1 ZINC001157913817 1078947609 /nfs/dbraw/zinc/94/76/09/1078947609.db2.gz BGNNQIDSABSERG-HOCLYGCPSA-N 1 0 404.267 2.902 20 0 HFADRO COC[C@@H](C)n1c(SCC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)nnc1-c1ccccc1 ZINC001130097846 1078948013 /nfs/dbraw/zinc/94/80/13/1078948013.db2.gz GWUNIOXBKJSMFE-AEFFLSMTSA-N 1 0 417.579 2.797 20 0 HFADRO CN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(C)(C)C[NH+]1CCCC1 ZINC001130106621 1078959472 /nfs/dbraw/zinc/95/94/72/1078959472.db2.gz UVHYCCJCUULHKP-HXUWFJFHSA-N 1 0 421.607 2.561 20 0 HFADRO COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)s2)cc1OC ZINC000747231813 1078951440 /nfs/dbraw/zinc/95/14/40/1078951440.db2.gz OUTBUWOEYYZAJI-CVEARBPZSA-N 1 0 417.531 2.729 20 0 HFADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805199270 1078952657 /nfs/dbraw/zinc/95/26/57/1078952657.db2.gz QEWXWWUQJYRPRX-NRJQMVOHSA-N 1 0 406.571 2.902 20 0 HFADRO COc1cc(Cl)ccc1CNC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000805170956 1078957220 /nfs/dbraw/zinc/95/72/20/1078957220.db2.gz KXUPFJKUNGBZOM-UHFFFAOYSA-N 1 0 417.937 2.598 20 0 HFADRO CCOC(=O)c1cnn(C2CCN(C(=O)NC[C@H](C)[NH+]3CCCCC3)CC2)c1C ZINC000805182098 1078965352 /nfs/dbraw/zinc/96/53/52/1078965352.db2.gz CXADAIDSQAWOIK-INIZCTEOSA-N 1 0 405.543 2.589 20 0 HFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000805183646 1078965699 /nfs/dbraw/zinc/96/56/99/1078965699.db2.gz FQRNPULTMHPOTC-IPMKNSEASA-N 1 0 411.587 2.887 20 0 HFADRO C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)C1 ZINC000805184225 1078966082 /nfs/dbraw/zinc/96/60/82/1078966082.db2.gz LDPSLZRXUFWETQ-HKUYNNGSSA-N 1 0 402.539 2.914 20 0 HFADRO C[N@H+](CCNC(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C)C1CC1 ZINC000805185345 1078966530 /nfs/dbraw/zinc/96/65/30/1078966530.db2.gz ZLVHNKOLURMDEN-LJQANCHMSA-N 1 0 402.539 2.914 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)no1 ZINC000805197542 1078970976 /nfs/dbraw/zinc/97/09/76/1078970976.db2.gz FWCLAWUPEQQOJK-NZQKXSOJSA-N 1 0 410.518 2.817 20 0 HFADRO Cc1cc([C@H]2CCCN2C(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)no1 ZINC000805197543 1078971046 /nfs/dbraw/zinc/97/10/46/1078971046.db2.gz FWCLAWUPEQQOJK-OFNKIYASSA-N 1 0 410.518 2.817 20 0 HFADRO COC(=O)c1cnc([C@@H](C)NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)s1 ZINC001130117786 1078988203 /nfs/dbraw/zinc/98/82/03/1078988203.db2.gz ZKLCLGKDAJFFCC-OAHLLOKOSA-N 1 0 416.547 2.951 20 0 HFADRO Cc1ccc(N2CCN(C(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)CC2=O)cc1 ZINC000805224831 1078992650 /nfs/dbraw/zinc/99/26/50/1078992650.db2.gz YYWSGLHIMRFRTG-IBGZPJMESA-N 1 0 421.545 2.974 20 0 HFADRO CCOc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1OCc1cccnc1 ZINC000747236400 1078994146 /nfs/dbraw/zinc/99/41/46/1078994146.db2.gz MJDLIPPKUGEKLK-WOJBJXKFSA-N 1 0 411.502 2.652 20 0 HFADRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000805279498 1079006595 /nfs/dbraw/zinc/00/65/95/1079006595.db2.gz LCIPFBLLAPHLEQ-OALUTQOASA-N 1 0 405.564 2.804 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000805285146 1079009418 /nfs/dbraw/zinc/00/94/18/1079009418.db2.gz BUEHBQQWQWIWSO-NRFANRHFSA-N 1 0 416.566 2.517 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000805332862 1079022757 /nfs/dbraw/zinc/02/27/57/1079022757.db2.gz BNIZLFGBRWSGHK-QFBILLFUSA-N 1 0 423.554 2.699 20 0 HFADRO CCCS(=O)(=O)CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170479310 1079029760 /nfs/dbraw/zinc/02/97/60/1079029760.db2.gz IKHAWEMXNDPEQU-OAHLLOKOSA-N 1 0 421.344 2.980 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000747241295 1079064567 /nfs/dbraw/zinc/06/45/67/1079064567.db2.gz MYKUWQZKWBZHIE-RAXLEYEMSA-N 1 0 414.527 2.947 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000805415828 1079076301 /nfs/dbraw/zinc/07/63/01/1079076301.db2.gz VAKCERBWQWKCCI-OAQYLSRUSA-N 1 0 416.566 2.959 20 0 HFADRO CS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000805451973 1079101449 /nfs/dbraw/zinc/10/14/49/1079101449.db2.gz JCTZQKVFJKUODU-IBGZPJMESA-N 1 0 417.527 2.924 20 0 HFADRO CC[NH+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)c1 ZINC000747249034 1079114879 /nfs/dbraw/zinc/11/48/79/1079114879.db2.gz QLKIFGAQZKFAMA-UHFFFAOYSA-N 1 0 408.495 2.933 20 0 HFADRO CS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000805566479 1079145699 /nfs/dbraw/zinc/14/56/99/1079145699.db2.gz KOYDVRKHUXAOOH-UHFFFAOYSA-N 1 0 403.500 2.922 20 0 HFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccccc2N(C)CC)C1 ZINC000805636533 1079189697 /nfs/dbraw/zinc/18/96/97/1079189697.db2.gz UFYXVXNQQBMQRT-GOSISDBHSA-N 1 0 402.583 2.776 20 0 HFADRO Cc1cccc2c(CCNC(=O)C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)c[nH]c21 ZINC000805660170 1079207491 /nfs/dbraw/zinc/20/74/91/1079207491.db2.gz MUTYVMOOVOQVKT-UHFFFAOYSA-N 1 0 406.530 2.855 20 0 HFADRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000805663212 1079209139 /nfs/dbraw/zinc/20/91/39/1079209139.db2.gz NAJDYFZALBVWLZ-UHFFFAOYSA-N 1 0 412.486 2.773 20 0 HFADRO COCc1nc(Cl)cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)n1 ZINC001170486820 1079217030 /nfs/dbraw/zinc/21/70/30/1079217030.db2.gz WZBNMAWYIUGHJD-WLYUNCDWSA-N 1 0 403.914 2.648 20 0 HFADRO CCC[N@H+](C)[C@@H](CNC(=O)N1CCN2C(=O)OCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000805752178 1079231133 /nfs/dbraw/zinc/23/11/33/1079231133.db2.gz ADYCXPWYSZTFMO-MSOLQXFVSA-N 1 0 408.930 2.959 20 0 HFADRO CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805753904 1079232024 /nfs/dbraw/zinc/23/20/24/1079232024.db2.gz UKDGLGOBOSSRDD-BPQIPLTHSA-N 1 0 408.930 2.863 20 0 HFADRO C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805790511 1079257052 /nfs/dbraw/zinc/25/70/52/1079257052.db2.gz ATVVYRHTJDONQO-UXHICEINSA-N 1 0 402.535 2.966 20 0 HFADRO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795033 1079260289 /nfs/dbraw/zinc/26/02/89/1079260289.db2.gz DXPHLGAVOWANNU-HRAATJIYSA-N 1 0 410.559 2.580 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000805764539 1079265156 /nfs/dbraw/zinc/26/51/56/1079265156.db2.gz CGHSEIRSOXTFRY-OAHLLOKOSA-N 1 0 424.567 2.843 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000805765703 1079265964 /nfs/dbraw/zinc/26/59/64/1079265964.db2.gz OOSXILUPXSOYQQ-RTBURBONSA-N 1 0 417.550 2.876 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCCC[NH+]1CCCCC1)CCC2 ZINC000805816419 1079289459 /nfs/dbraw/zinc/28/94/59/1079289459.db2.gz ZUYLXMJAIPLVEK-LJQANCHMSA-N 1 0 403.571 2.730 20 0 HFADRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC000805821141 1079292935 /nfs/dbraw/zinc/29/29/35/1079292935.db2.gz DVHRRRBAUUILPK-HXUWFJFHSA-N 1 0 415.921 2.796 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3nc(Cl)cc4c3CC(=O)N4)cc2)CC1 ZINC001170489714 1079295043 /nfs/dbraw/zinc/29/50/43/1079295043.db2.gz MLBUDLCJESZYNA-IYXRBSQSSA-N 1 0 413.909 2.601 20 0 HFADRO COC[C@]1(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000805862423 1079308948 /nfs/dbraw/zinc/30/89/48/1079308948.db2.gz XIYZYZLGGDIPTO-JBYIUTFZSA-N 1 0 424.586 2.671 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCNC(=O)c1ccncc1 ZINC000805862454 1079309199 /nfs/dbraw/zinc/30/91/99/1079309199.db2.gz XGYYXNLYRROERS-SFHVURJKSA-N 1 0 411.502 2.922 20 0 HFADRO COC(=O)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@@H](OC)C1 ZINC001130411674 1079313111 /nfs/dbraw/zinc/31/31/11/1079313111.db2.gz YZXPPJXZZCVTTR-XRXFAXGQSA-N 1 0 402.535 2.762 20 0 HFADRO CCC[N@H+](CC)Cc1ccc(C(=O)Oc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 ZINC000805876463 1079317240 /nfs/dbraw/zinc/31/72/40/1079317240.db2.gz PVJRAHHUIHIWJG-FQEVSTJZSA-N 1 0 409.486 2.888 20 0 HFADRO COC(=O)c1cc2cc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)ncc2o1 ZINC001170490377 1079315555 /nfs/dbraw/zinc/31/55/55/1079315555.db2.gz RHKSIVFUYWGIGU-QQFBHYJXSA-N 1 0 422.485 2.986 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1F ZINC000747271811 1079315909 /nfs/dbraw/zinc/31/59/09/1079315909.db2.gz VBSPDPKHTXTUPC-INIZCTEOSA-N 1 0 406.479 2.555 20 0 HFADRO CC[C@@H](C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000805915607 1079330864 /nfs/dbraw/zinc/33/08/64/1079330864.db2.gz IQMQRPGUSKLSIJ-MSOLQXFVSA-N 1 0 421.929 2.845 20 0 HFADRO COCC[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3)n2)C(C)(C)C1 ZINC001130416932 1079334953 /nfs/dbraw/zinc/33/49/53/1079334953.db2.gz GOIIVNKTPBVIOH-UHFFFAOYSA-N 1 0 416.547 2.507 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCNC(=O)c1cccnc1 ZINC000805884662 1079337726 /nfs/dbraw/zinc/33/77/26/1079337726.db2.gz KTTCJDMJQOYRMA-GOSISDBHSA-N 1 0 411.502 2.922 20 0 HFADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)OCCNC(=O)c1cccnc1 ZINC000805884663 1079337851 /nfs/dbraw/zinc/33/78/51/1079337851.db2.gz KTTCJDMJQOYRMA-SFHVURJKSA-N 1 0 411.502 2.922 20 0 HFADRO COC(=O)[C@@]1(NC(=O)c2ccn3c2nc(C)cc3C)CCC[N@H+](Cc2ccccc2)C1 ZINC001130444970 1079345604 /nfs/dbraw/zinc/34/56/04/1079345604.db2.gz VPYJYXPTIUCFMZ-XMMPIXPASA-N 1 0 420.513 2.889 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1F ZINC000747281654 1079352734 /nfs/dbraw/zinc/35/27/34/1079352734.db2.gz HPFGCJMAVHJFRX-OAHLLOKOSA-N 1 0 408.495 2.801 20 0 HFADRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(C(=O)OCC)ccc1Br ZINC000747284233 1079384674 /nfs/dbraw/zinc/38/46/74/1079384674.db2.gz AVPFHPLHHWWRDV-UHFFFAOYSA-N 1 0 421.357 2.636 20 0 HFADRO Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001130458141 1079381740 /nfs/dbraw/zinc/38/17/40/1079381740.db2.gz HTHBXAOPRQNENX-UHFFFAOYSA-N 1 0 420.560 2.629 20 0 HFADRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001130458885 1079382562 /nfs/dbraw/zinc/38/25/62/1079382562.db2.gz WTKQYZBBRJZIND-KSYXXAMZSA-N 1 0 405.542 2.954 20 0 HFADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC001130475504 1079389306 /nfs/dbraw/zinc/38/93/06/1079389306.db2.gz OUHFDCYIUKGUGG-MSEWRSJXSA-N 1 0 415.559 2.972 20 0 HFADRO COC(=O)c1cccc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)c1OC ZINC001170496186 1079395859 /nfs/dbraw/zinc/39/58/59/1079395859.db2.gz ODIDKSKDGLYPEF-KLAILNCOSA-N 1 0 411.502 2.853 20 0 HFADRO CC[C@@H]1C[C@@H]([NH+]2CCN(c3ncncn3)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496317 1079395944 /nfs/dbraw/zinc/39/59/44/1079395944.db2.gz HIOBBCIVAZZFQZ-BCDXTJNWSA-N 1 0 404.559 2.950 20 0 HFADRO CO[C@@H]1C[C@@H](C(=O)NCCC[N@H+](C)CC(C)C)N(C(=O)OCc2ccccc2)C1 ZINC001130524148 1079459623 /nfs/dbraw/zinc/45/96/23/1079459623.db2.gz XAGIIFGUCZWAPX-UXHICEINSA-N 1 0 405.539 2.507 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3CCC(=O)NC)cc2)CC1 ZINC000806155748 1079470506 /nfs/dbraw/zinc/47/05/06/1079470506.db2.gz UDSAJDLMMXCCNE-HXUWFJFHSA-N 1 0 401.555 2.741 20 0 HFADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)ccc1SC(F)F ZINC000806171322 1079462845 /nfs/dbraw/zinc/46/28/45/1079462845.db2.gz YOLBCCSSETWIEM-TZMCWYRMSA-N 1 0 423.551 2.931 20 0 HFADRO COCC(C)(C)CCC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000806175496 1079464180 /nfs/dbraw/zinc/46/41/80/1079464180.db2.gz BVDRBZLVDMYXDO-OAHLLOKOSA-N 1 0 420.597 2.516 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)NCCn3cc(Br)cn3)cc2)CC1 ZINC000806156229 1079470889 /nfs/dbraw/zinc/47/08/89/1079470889.db2.gz ZZZHETCTTTVZKI-UHFFFAOYSA-N 1 0 421.343 2.609 20 0 HFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)CC1 ZINC000806145032 1079466336 /nfs/dbraw/zinc/46/63/36/1079466336.db2.gz BAVVFKRYICTOHN-LJQANCHMSA-N 1 0 420.941 2.694 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC(=O)N(C)[C@H]3c3ccccc3)cc2)CC1 ZINC000806153758 1079469777 /nfs/dbraw/zinc/46/97/77/1079469777.db2.gz VWZFMXVAYODHBI-JOCHJYFZSA-N 1 0 407.518 2.833 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@H](CO)C3)cc2)CC1 ZINC000806155039 1079469970 /nfs/dbraw/zinc/46/99/70/1079469970.db2.gz LUWVCCCJCXBXRZ-MAUKXSAKSA-N 1 0 414.472 2.853 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(=O)n(-c4ccccn4)c3)cc2)CC1 ZINC001170500282 1079474574 /nfs/dbraw/zinc/47/45/74/1079474574.db2.gz MDKJTLXZMRLDDQ-LMDPOFIKSA-N 1 0 417.513 2.604 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000806183571 1079477467 /nfs/dbraw/zinc/47/74/67/1079477467.db2.gz UQKKGLLMWAAVGN-WMZOPIPTSA-N 1 0 415.515 2.757 20 0 HFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000787299129 1076747466 /nfs/dbraw/zinc/74/74/66/1076747466.db2.gz FTRDFKXYWYRYIA-BRLLKYFNSA-N 1 0 407.518 2.953 20 0 HFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787308655 1076755536 /nfs/dbraw/zinc/75/55/36/1076755536.db2.gz FPNVPVCUIDUCGJ-MRXNPFEDSA-N 1 0 405.543 2.690 20 0 HFADRO C[N@H+](CCOc1cccc(CNC(=O)Cc2ccccc2CO)c1)C1CCOCC1 ZINC000787310417 1076757550 /nfs/dbraw/zinc/75/75/50/1076757550.db2.gz MJVKYEOQTWRRGP-UHFFFAOYSA-N 1 0 412.530 2.527 20 0 HFADRO C[C@H](CNC(=O)C(=O)NC(Cc1ccccc1)Cc1ccccc1)[NH+]1CCCCC1 ZINC000787365516 1076775032 /nfs/dbraw/zinc/77/50/32/1076775032.db2.gz QVPPTLQBCPXINF-HXUWFJFHSA-N 1 0 407.558 2.947 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)n[nH]2)C1 ZINC000787379924 1076779729 /nfs/dbraw/zinc/77/97/29/1076779729.db2.gz AKNXLUMPKAWXFB-IAGOWNOFSA-N 1 0 417.554 2.692 20 0 HFADRO CC(C)NS(=O)(=O)c1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1F ZINC000787337977 1076782695 /nfs/dbraw/zinc/78/26/95/1076782695.db2.gz WDSHHPPFOXVXBI-UHFFFAOYSA-N 1 0 421.538 2.547 20 0 HFADRO C[NH+](C)CCC1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC000787352438 1076793020 /nfs/dbraw/zinc/79/30/20/1076793020.db2.gz SWXFVZSWUJDPSR-QGZVFWFLSA-N 1 0 419.570 2.938 20 0 HFADRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCOc1ccccc1I ZINC000787355794 1076794799 /nfs/dbraw/zinc/79/47/99/1076794799.db2.gz LUDWRILLYIOOOU-AWEZNQCLSA-N 1 0 404.292 2.763 20 0 HFADRO CC[NH+]1CCC(CCNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787390927 1076805662 /nfs/dbraw/zinc/80/56/62/1076805662.db2.gz PFELHBZHEZEVEP-KRWDZBQOSA-N 1 0 419.570 2.986 20 0 HFADRO [NH3+]CCN(c1ccc(OC(F)(F)F)cn1)S(=O)(=O)c1cccc2cnccc21 ZINC001170073342 1076818458 /nfs/dbraw/zinc/81/84/58/1076818458.db2.gz KPCUOHPYDFBLEY-UHFFFAOYSA-N 1 0 412.393 2.682 20 0 HFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000787434667 1076822826 /nfs/dbraw/zinc/82/28/26/1076822826.db2.gz SREDRLCACUVMBG-UHFFFAOYSA-N 1 0 424.520 2.708 20 0 HFADRO C[N@@H+]1CCCC12CCN(C(=O)c1cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n1)CC2 ZINC000787494571 1076825838 /nfs/dbraw/zinc/82/58/38/1076825838.db2.gz QNJQRBPCGRPEGH-INIZCTEOSA-N 1 0 417.554 2.835 20 0 HFADRO Cn1c(=O)ccc2ccc(NC(=O)C(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc21 ZINC000787476629 1076837311 /nfs/dbraw/zinc/83/73/11/1076837311.db2.gz XPLKTEKABFQPIC-UHFFFAOYSA-N 1 0 424.545 2.638 20 0 HFADRO [NH3+]CCN(c1cc(Br)ccn1)S(=O)(=O)c1cccc2cnccc21 ZINC001170073781 1076844363 /nfs/dbraw/zinc/84/43/63/1076844363.db2.gz MVICLXIAHWIXRD-UHFFFAOYSA-N 1 0 407.293 2.546 20 0 HFADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C[C@H](O)c2cccc(F)c2)CC1 ZINC000772702213 1076846847 /nfs/dbraw/zinc/84/68/47/1076846847.db2.gz MFALDKSLCGMYOM-NRFANRHFSA-N 1 0 415.509 2.538 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccccc2I)CC1 ZINC000787579168 1076870673 /nfs/dbraw/zinc/87/06/73/1076870673.db2.gz QTFMLSIRDGFGKI-UHFFFAOYSA-N 1 0 416.303 2.864 20 0 HFADRO C[C@@H](CNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)[NH+]1CCCCC1 ZINC000787611716 1076878292 /nfs/dbraw/zinc/87/82/92/1076878292.db2.gz VSUZPIZNGQTDTM-PXNSSMCTSA-N 1 0 420.985 2.584 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](c2ccccn2)C1)c1ccsc1 ZINC000787618396 1076880376 /nfs/dbraw/zinc/88/03/76/1076880376.db2.gz WLOQAVBAACTXLL-QFBILLFUSA-N 1 0 400.548 2.658 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1)c1ccsc1 ZINC000787618389 1076880432 /nfs/dbraw/zinc/88/04/32/1076880432.db2.gz WLOQAVBAACTXLL-APWZRJJASA-N 1 0 400.548 2.658 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000787598307 1076886827 /nfs/dbraw/zinc/88/68/27/1076886827.db2.gz MEQRZZOJFYQXIG-UHFFFAOYSA-N 1 0 400.523 2.617 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC000787667228 1076904376 /nfs/dbraw/zinc/90/43/76/1076904376.db2.gz BEGHTAYPXJPPNV-HNNXBMFYSA-N 1 0 407.511 2.630 20 0 HFADRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000787668853 1076905119 /nfs/dbraw/zinc/90/51/19/1076905119.db2.gz HPOAZHXSCLPLJI-WBVHZDCISA-N 1 0 411.468 2.869 20 0 HFADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000787687095 1076911537 /nfs/dbraw/zinc/91/15/37/1076911537.db2.gz VFUBGUGWCATGJZ-VGSWGCGISA-N 1 0 409.571 2.735 20 0 HFADRO Cc1ccc(N2CCCN(C(=O)C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000787703314 1076918518 /nfs/dbraw/zinc/91/85/18/1076918518.db2.gz AYAAZIQHMHBAJT-OYRHEFFESA-N 1 0 414.594 2.518 20 0 HFADRO CC(C)COC(=O)N1CCC[N@@H+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787706674 1076920451 /nfs/dbraw/zinc/92/04/51/1076920451.db2.gz CATMPABONVDTQG-LAUBAEHRSA-N 1 0 413.559 2.547 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000787753617 1076927990 /nfs/dbraw/zinc/92/79/90/1076927990.db2.gz ZRBYMZIJOWNCDF-GOSISDBHSA-N 1 0 400.910 2.613 20 0 HFADRO CC(C)OC(=O)N1CCC([NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000787758149 1076929075 /nfs/dbraw/zinc/92/90/75/1076929075.db2.gz CXBSCUXWAITMGV-CYBMUJFWSA-N 1 0 400.317 2.598 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCN1C(=O)OC(C)(C)C ZINC000787759404 1076929085 /nfs/dbraw/zinc/92/90/85/1076929085.db2.gz GDCTWNZBHFQXBC-UYTYNIKBSA-N 1 0 408.539 2.865 20 0 HFADRO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000787760384 1076929266 /nfs/dbraw/zinc/92/92/66/1076929266.db2.gz IFNJGZJNKNAAFV-QGZVFWFLSA-N 1 0 421.563 2.586 20 0 HFADRO CCOC(=O)N1CCC([NH2+][C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000787764029 1076930818 /nfs/dbraw/zinc/93/08/18/1076930818.db2.gz XFRHXWGEFMWMFN-QZTJIDSGSA-N 1 0 411.543 2.611 20 0 HFADRO Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787729522 1076932891 /nfs/dbraw/zinc/93/28/91/1076932891.db2.gz IRGWFPADMSTUQL-UHFFFAOYSA-N 1 0 400.523 2.877 20 0 HFADRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCOCCNC(=O)OC(C)(C)C)C2)nc1 ZINC000787728865 1076933267 /nfs/dbraw/zinc/93/32/67/1076933267.db2.gz DITSZYDDJZDDJB-QGZVFWFLSA-N 1 0 406.527 2.582 20 0 HFADRO O=C(NCCc1ccc(Cl)nc1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787736511 1076935437 /nfs/dbraw/zinc/93/54/37/1076935437.db2.gz KIZCZIYWQZQAFE-IBGZPJMESA-N 1 0 414.937 2.737 20 0 HFADRO C[C@@](O)(CCNC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccccc1 ZINC000787737363 1076936034 /nfs/dbraw/zinc/93/60/34/1076936034.db2.gz OZMTUSQYDHIDII-WIOPSUGQSA-N 1 0 423.557 2.744 20 0 HFADRO COc1c(C)cnc(CNC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1C ZINC000787737292 1076936073 /nfs/dbraw/zinc/93/60/73/1076936073.db2.gz OOYPGAWPBZMCBC-OAQYLSRUSA-N 1 0 424.545 2.667 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)no1 ZINC000787736596 1076936391 /nfs/dbraw/zinc/93/63/91/1076936391.db2.gz MECJUSUOBPARRB-SFTDATJTSA-N 1 0 410.518 2.990 20 0 HFADRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000787739348 1076936661 /nfs/dbraw/zinc/93/66/61/1076936661.db2.gz UBSMACAEQKSMIL-IFMALSPDSA-N 1 0 406.530 2.741 20 0 HFADRO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000787739938 1076937197 /nfs/dbraw/zinc/93/71/97/1076937197.db2.gz VOMLNJVHLZDUNB-NRFANRHFSA-N 1 0 412.534 2.684 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000787882373 1076975574 /nfs/dbraw/zinc/97/55/74/1076975574.db2.gz NHWXUWBSQXKPGX-UHFFFAOYSA-N 1 0 410.852 2.851 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000787882866 1076976382 /nfs/dbraw/zinc/97/63/82/1076976382.db2.gz QNCLOFZZBDSBCL-UHFFFAOYSA-N 1 0 410.852 2.851 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1 ZINC000787902729 1076988283 /nfs/dbraw/zinc/98/82/83/1076988283.db2.gz ZKPNBOUFIFHJEU-UHFFFAOYSA-N 1 0 417.897 2.819 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000787911243 1076991845 /nfs/dbraw/zinc/99/18/45/1076991845.db2.gz NMDJFGAUIBIBMB-GQIGUUNPSA-N 1 0 405.970 2.798 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)CCC2 ZINC000787913040 1076992875 /nfs/dbraw/zinc/99/28/75/1076992875.db2.gz UXJAHEKSAZRINT-IEBWSBKVSA-N 1 0 403.571 2.586 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)CCC2 ZINC000787913041 1076992911 /nfs/dbraw/zinc/99/29/11/1076992911.db2.gz UXJAHEKSAZRINT-MJGOQNOKSA-N 1 0 403.571 2.586 20 0 HFADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000787919537 1076996070 /nfs/dbraw/zinc/99/60/70/1076996070.db2.gz HVLURJOODJCKKE-UHFFFAOYSA-N 1 0 402.495 2.587 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)COC)cc2)cc1 ZINC000787895367 1077002838 /nfs/dbraw/zinc/00/28/38/1077002838.db2.gz DIDWJFTZOFNYEK-UHFFFAOYSA-N 1 0 412.490 2.691 20 0 HFADRO C[NH+]1CCN(c2ncccc2CNC(=O)NOCc2ccc(C(F)(F)F)cc2)CC1 ZINC000746715935 1077003527 /nfs/dbraw/zinc/00/35/27/1077003527.db2.gz HEZOELRFSFMZDN-UHFFFAOYSA-N 1 0 423.439 2.783 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000787901303 1077004646 /nfs/dbraw/zinc/00/46/46/1077004646.db2.gz BMMGHQJRHBGLHH-QYZOEREBSA-N 1 0 421.607 2.933 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000787972974 1077013826 /nfs/dbraw/zinc/01/38/26/1077013826.db2.gz FZXNZUPUMKHADX-WTANOLMUSA-N 1 0 421.900 2.929 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000787941001 1077018070 /nfs/dbraw/zinc/01/80/70/1077018070.db2.gz ORIUCJIGCXMJGC-HGIWEUDGSA-N 1 0 409.530 2.744 20 0 HFADRO C[C@@H](Cc1ccco1)NC(=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000787944282 1077019667 /nfs/dbraw/zinc/01/96/67/1077019667.db2.gz YVRFADXVFCBBAG-SUMWQHHRSA-N 1 0 411.424 2.765 20 0 HFADRO C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000787996716 1077022454 /nfs/dbraw/zinc/02/24/54/1077022454.db2.gz ZKAYIGGJFBNJJC-MAUKXSAKSA-N 1 0 406.552 2.654 20 0 HFADRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787997064 1077023318 /nfs/dbraw/zinc/02/33/18/1077023318.db2.gz WNWZHGSRUWQPHW-SJLPKXTDSA-N 1 0 412.465 2.521 20 0 HFADRO C[C@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000787998996 1077023928 /nfs/dbraw/zinc/02/39/28/1077023928.db2.gz GWUGTJYFLAERPI-LPHOPBHVSA-N 1 0 402.539 2.808 20 0 HFADRO C[NH+](C)CCOCCNC(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000788012926 1077028653 /nfs/dbraw/zinc/02/86/53/1077028653.db2.gz FLSHBSAPWXNCPW-DEOSSOPVSA-N 1 0 411.546 2.610 20 0 HFADRO CC1(C(=O)OCC(=O)NC(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000772710745 1077028994 /nfs/dbraw/zinc/02/89/94/1077028994.db2.gz JLHDSMKYRXGRHX-UHFFFAOYSA-N 1 0 423.513 2.858 20 0 HFADRO CC1(C(=O)OCC(=O)NC(=O)NC2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000772710781 1077029288 /nfs/dbraw/zinc/02/92/88/1077029288.db2.gz KDDUACGKYNJBLO-UHFFFAOYSA-N 1 0 415.534 2.990 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC000788038399 1077036154 /nfs/dbraw/zinc/03/61/54/1077036154.db2.gz BQTOUOCXGJCLLE-OPAMFIHVSA-N 1 0 400.450 2.883 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@H](C)C1 ZINC000788038226 1077036624 /nfs/dbraw/zinc/03/66/24/1077036624.db2.gz YXRUOKHHJDYDIH-CABCVRRESA-N 1 0 412.987 2.812 20 0 HFADRO O=C1C(=O)N(CN2CC[C@@H]([NH+]3CC=CC3)C2)c2ccc(Br)c(Cl)c21 ZINC000788049519 1077041681 /nfs/dbraw/zinc/04/16/81/1077041681.db2.gz WPXYFJGYOAACET-LLVKDONJSA-N 1 0 410.699 2.535 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000746725614 1077056221 /nfs/dbraw/zinc/05/62/21/1077056221.db2.gz GWZRDPCZHQQULC-UHFFFAOYSA-N 1 0 410.518 2.753 20 0 HFADRO O=C(CC1CCC2(CC1)OCCO2)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000788151462 1077069348 /nfs/dbraw/zinc/06/93/48/1077069348.db2.gz JSBDBDDNDBHUQX-UHFFFAOYSA-N 1 0 401.551 2.638 20 0 HFADRO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788252096 1077087256 /nfs/dbraw/zinc/08/72/56/1077087256.db2.gz YNWIKVHNOACALW-MOPGFXCFSA-N 1 0 410.603 2.745 20 0 HFADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788258857 1077088205 /nfs/dbraw/zinc/08/82/05/1077088205.db2.gz YFJPQJVNOBFXPS-MSOLQXFVSA-N 1 0 417.616 2.864 20 0 HFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(Br)n[nH]2)CC1 ZINC000788295275 1077090795 /nfs/dbraw/zinc/09/07/95/1077090795.db2.gz COJBMLBZGPGOQV-GFCCVEGCSA-N 1 0 424.318 2.944 20 0 HFADRO CC(C)[C@H](CNC(=O)c1nc(Br)sc1C1CC1)N1CC[NH+](C)CC1 ZINC000788303966 1077092342 /nfs/dbraw/zinc/09/23/42/1077092342.db2.gz BZLUSFHGLGKLBQ-ZDUSSCGKSA-N 1 0 415.401 2.785 20 0 HFADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)ncc1Cl ZINC000788307611 1077093162 /nfs/dbraw/zinc/09/31/62/1077093162.db2.gz KQKHJCMPNVCGLV-LSDHHAIUSA-N 1 0 416.747 2.995 20 0 HFADRO CC1(C(=O)O[C@@H]2CCN(C3CCOCC3)C2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000772717767 1077093404 /nfs/dbraw/zinc/09/34/04/1077093404.db2.gz IDSJPZBYZVFRLY-HXUWFJFHSA-N 1 0 400.519 2.612 20 0 HFADRO COC(=O)c1cc(NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c(C)cc1C ZINC000788337193 1077107607 /nfs/dbraw/zinc/10/76/07/1077107607.db2.gz IKCLPANBEBOTDO-UHFFFAOYSA-N 1 0 411.502 2.749 20 0 HFADRO CC(C)(C)OC(=O)N1CCO[C@H]([C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)C2CC2)C1 ZINC000788438356 1077147393 /nfs/dbraw/zinc/14/73/93/1077147393.db2.gz UCSVUDDZXFMTRU-WSTZPKSXSA-N 1 0 402.539 2.664 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000788439320 1077147680 /nfs/dbraw/zinc/14/76/80/1077147680.db2.gz WQWIXPVVQOITLU-DSLXNQLJSA-N 1 0 409.571 2.685 20 0 HFADRO Cn1ccnc1[C@](O)(CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C(F)(F)F ZINC000788448084 1077162511 /nfs/dbraw/zinc/16/25/11/1077162511.db2.gz UUBMLFBVDCEVPF-ZWKOTPCHSA-N 1 0 420.476 2.797 20 0 HFADRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476481 1077172532 /nfs/dbraw/zinc/17/25/32/1077172532.db2.gz QBTABQNWFIHBRS-OALUTQOASA-N 1 0 410.603 2.556 20 0 HFADRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000788504612 1077185196 /nfs/dbraw/zinc/18/51/96/1077185196.db2.gz CQYKDKJACCEGIZ-MAUKXSAKSA-N 1 0 411.568 2.502 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 ZINC000788505918 1077185290 /nfs/dbraw/zinc/18/52/90/1077185290.db2.gz USQVXASEDGQYKE-FQEVSTJZSA-N 1 0 401.551 2.877 20 0 HFADRO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000788482678 1077191580 /nfs/dbraw/zinc/19/15/80/1077191580.db2.gz QHUOFFGEPDPILP-FQEVSTJZSA-N 1 0 411.587 2.589 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N(C)C3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000788557518 1077200897 /nfs/dbraw/zinc/20/08/97/1077200897.db2.gz YYBPTYSRABFTOY-UHFFFAOYSA-N 1 0 423.565 2.751 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788558797 1077201121 /nfs/dbraw/zinc/20/11/21/1077201121.db2.gz VYGPFYJBIBPYPG-QYZOEREBSA-N 1 0 423.529 2.959 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000788561479 1077201766 /nfs/dbraw/zinc/20/17/66/1077201766.db2.gz DBZPIUISMSPXAJ-LVCYWYKZSA-N 1 0 413.628 2.820 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788563192 1077201772 /nfs/dbraw/zinc/20/17/72/1077201772.db2.gz OMHCMENOMBGVJR-NXHRZFHOSA-N 1 0 409.452 2.764 20 0 HFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788525839 1077202361 /nfs/dbraw/zinc/20/23/61/1077202361.db2.gz MZIAWXYQZMNDMV-UHFFFAOYSA-N 1 0 418.485 2.516 20 0 HFADRO O=C(CC1CCC2(CC1)OCCO2)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000788527330 1077203225 /nfs/dbraw/zinc/20/32/25/1077203225.db2.gz YQFGZDACOSICFC-OAQYLSRUSA-N 1 0 402.535 2.583 20 0 HFADRO COc1cc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cnc1Br ZINC000788531259 1077204087 /nfs/dbraw/zinc/20/40/87/1077204087.db2.gz WHLBQPPSUVIHJE-TZMCWYRMSA-N 1 0 400.342 2.505 20 0 HFADRO CCC[NH+]1CCC(CNS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788609133 1077205898 /nfs/dbraw/zinc/20/58/98/1077205898.db2.gz BLOOQRHYCGQHKT-UHFFFAOYSA-N 1 0 408.973 2.897 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)NC[C@]3(O)CCO[C@H]3C)cc2Cl)CC1 ZINC000788576433 1077211216 /nfs/dbraw/zinc/21/12/16/1077211216.db2.gz IRNBIBCGASYNID-MGPUTAFESA-N 1 0 410.946 2.533 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)N3CC(=O)N(CC4CC4)C3)cc2Cl)CC1 ZINC000788578351 1077211448 /nfs/dbraw/zinc/21/14/48/1077211448.db2.gz SRMSFNLONBPCRM-UHFFFAOYSA-N 1 0 419.957 2.916 20 0 HFADRO C[C@@H](OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000772722215 1077211537 /nfs/dbraw/zinc/21/15/37/1077211537.db2.gz LENYJFLDZBXOHC-OAHLLOKOSA-N 1 0 422.489 2.525 20 0 HFADRO CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788592239 1077215301 /nfs/dbraw/zinc/21/53/01/1077215301.db2.gz AYVYZXVMRBPQTR-DLBZAZTESA-N 1 0 409.571 2.782 20 0 HFADRO COc1ccc(CCS(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000788595765 1077217335 /nfs/dbraw/zinc/21/73/35/1077217335.db2.gz DTASINRRPQQCRN-UHFFFAOYSA-N 1 0 402.560 2.864 20 0 HFADRO COc1ccc(C(=O)NC(=O)CN(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC001170086865 1077218296 /nfs/dbraw/zinc/21/82/96/1077218296.db2.gz YQWZJSOJWLKQAE-KRWDZBQOSA-N 1 0 415.559 2.775 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CCN(Cc4ccccc4)C[C@H]3CO)C2)C1 ZINC000788601395 1077219139 /nfs/dbraw/zinc/21/91/39/1077219139.db2.gz JGFAKPBRQRPOJB-PZJWPPBQSA-N 1 0 415.578 2.859 20 0 HFADRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788600902 1077219611 /nfs/dbraw/zinc/21/96/11/1077219611.db2.gz FKUKWFVKBRHOIG-WMQCIHAUSA-N 1 0 403.567 2.714 20 0 HFADRO COc1cc([C@H](C)[NH2+]Cc2ccc(NC(C)=O)nc2)ccc1S(=O)(=O)C(F)F ZINC000788604523 1077220923 /nfs/dbraw/zinc/22/09/23/1077220923.db2.gz CCVSGWZMVSQRTI-NSHDSACASA-N 1 0 413.446 2.896 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788646357 1077223485 /nfs/dbraw/zinc/22/34/85/1077223485.db2.gz VXLZJDXYKQXNPK-BGYRXZFFSA-N 1 0 424.545 2.957 20 0 HFADRO CC(C)[NH+](CCNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)C(C)C ZINC000788619879 1077231153 /nfs/dbraw/zinc/23/11/53/1077231153.db2.gz WLWLROBOPGJTBJ-WOJBJXKFSA-N 1 0 412.534 2.813 20 0 HFADRO CC(C)(CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[NH+]1CCCCC1 ZINC000788619768 1077231514 /nfs/dbraw/zinc/23/15/14/1077231514.db2.gz SCZBZBJTSMEQCY-WOJBJXKFSA-N 1 0 424.545 2.959 20 0 HFADRO CC1([NH+]2CCCC2)CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC001170145774 1077232199 /nfs/dbraw/zinc/23/21/99/1077232199.db2.gz IGBCPGUOWZTZMQ-UHFFFAOYSA-N 1 0 419.591 2.537 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000788626491 1077235078 /nfs/dbraw/zinc/23/50/78/1077235078.db2.gz YVWDDVTZXUMSJC-BGYRXZFFSA-N 1 0 410.518 2.567 20 0 HFADRO COc1ccccc1[C@@H](O)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000790928441 1077235822 /nfs/dbraw/zinc/23/58/22/1077235822.db2.gz WXQJGLITPDEGJH-NRFANRHFSA-N 1 0 413.518 2.701 20 0 HFADRO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1Cl ZINC000788636232 1077240267 /nfs/dbraw/zinc/24/02/67/1077240267.db2.gz MYQAKWPFHAIXNX-CYBMUJFWSA-N 1 0 420.984 2.993 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000788641021 1077243870 /nfs/dbraw/zinc/24/38/70/1077243870.db2.gz VBQLFMNZMFLNDS-IRXDYDNUSA-N 1 0 414.449 2.874 20 0 HFADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788681875 1077249317 /nfs/dbraw/zinc/24/93/17/1077249317.db2.gz ZQRJIASIITYYHW-QAPCUYQASA-N 1 0 411.568 2.672 20 0 HFADRO C[NH+](C)CCCNC(=S)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000788686145 1077250271 /nfs/dbraw/zinc/25/02/71/1077250271.db2.gz WSZJJNQAWZUXII-CQSZACIVSA-N 1 0 403.379 2.905 20 0 HFADRO COCCN(C)c1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)cn1 ZINC000790949067 1077252301 /nfs/dbraw/zinc/25/23/01/1077252301.db2.gz PEASDHMSDOPXKE-UHFFFAOYSA-N 1 0 407.312 2.655 20 0 HFADRO O=C(COC(=O)c1cccc2c[nH]nc21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000746952966 1077255997 /nfs/dbraw/zinc/25/59/97/1077255997.db2.gz SVCBMSBXDIOGCL-UHFFFAOYSA-N 1 0 410.499 2.907 20 0 HFADRO O=S(=O)(N1CCC(C[NH2+]Cc2nccn2-c2ccccc2)CC1)C(F)(F)F ZINC000790962877 1077256076 /nfs/dbraw/zinc/25/60/76/1077256076.db2.gz SGJRAKJYGJFNQF-UHFFFAOYSA-N 1 0 402.442 2.524 20 0 HFADRO C[NH+](C)Cc1ccnc(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 ZINC000788659649 1077256815 /nfs/dbraw/zinc/25/68/15/1077256815.db2.gz FFKOBOMDRCWDOV-OALUTQOASA-N 1 0 419.485 2.674 20 0 HFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(NN4C(=O)[C@@H]5CC=CC[C@H]5C4=O)c3)CC[C@@H]21 ZINC000788668627 1077261335 /nfs/dbraw/zinc/26/13/35/1077261335.db2.gz QHLBQTJITMAYDC-WLRLJWMZSA-N 1 0 422.529 2.521 20 0 HFADRO CN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788712944 1077268416 /nfs/dbraw/zinc/26/84/16/1077268416.db2.gz NUHXQWKQNGUWEB-OALUTQOASA-N 1 0 400.548 2.793 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000790975300 1077268554 /nfs/dbraw/zinc/26/85/54/1077268554.db2.gz OWXYQIUSUFWDAG-LJQANCHMSA-N 1 0 420.517 2.596 20 0 HFADRO CCNC(=O)Nc1cccc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000788726457 1077273208 /nfs/dbraw/zinc/27/32/08/1077273208.db2.gz MCTGWOQAQIIYSK-QGZVFWFLSA-N 1 0 403.527 2.901 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000788698309 1077275516 /nfs/dbraw/zinc/27/55/16/1077275516.db2.gz ZHMHNUUDEMLHCJ-UFYCRDLUSA-N 1 0 416.566 2.516 20 0 HFADRO CCOC(=O)C1([C@@H](C)[NH2+]CCC2(C)OCCO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788737025 1077285638 /nfs/dbraw/zinc/28/56/38/1077285638.db2.gz HBUWFJWDLOKHMV-MRXNPFEDSA-N 1 0 414.543 2.698 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000791062265 1077286940 /nfs/dbraw/zinc/28/69/40/1077286940.db2.gz TVNKFSZYZLDLLH-QGZVFWFLSA-N 1 0 413.971 2.585 20 0 HFADRO CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788748527 1077288827 /nfs/dbraw/zinc/28/88/27/1077288827.db2.gz UJWYWUHCHFJZGQ-YADHBBJMSA-N 1 0 408.546 2.602 20 0 HFADRO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788749111 1077289813 /nfs/dbraw/zinc/28/98/13/1077289813.db2.gz CJFZOCNSDSRVMZ-OAHLLOKOSA-N 1 0 409.552 2.572 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000746764189 1077295026 /nfs/dbraw/zinc/29/50/26/1077295026.db2.gz LVNMZRXDYYFAHI-UHFFFAOYSA-N 1 0 412.490 2.901 20 0 HFADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000788775471 1077297478 /nfs/dbraw/zinc/29/74/78/1077297478.db2.gz LBIRQRPDDBTWEZ-GOEBONIOSA-N 1 0 409.452 2.622 20 0 HFADRO CON(C)C(=O)c1ncccc1N(CC[NH3+])c1nc2ccc(C)cc2n2c(C)cnc12 ZINC001170149232 1077306841 /nfs/dbraw/zinc/30/68/41/1077306841.db2.gz PZIOAEWCUCLTIL-UHFFFAOYSA-N 1 0 419.489 2.625 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788832913 1077314262 /nfs/dbraw/zinc/31/42/62/1077314262.db2.gz UDHKFOXKZDCMHN-PTUXOGIPSA-N 1 0 420.557 2.949 20 0 HFADRO CCOC(=O)c1ccc(C)c(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000788842025 1077317209 /nfs/dbraw/zinc/31/72/09/1077317209.db2.gz FQTJYITWNWHBLL-UHFFFAOYSA-N 1 0 420.531 2.937 20 0 HFADRO CCCS(=O)(=O)NC1CC[NH+](C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000788842310 1077317299 /nfs/dbraw/zinc/31/72/99/1077317299.db2.gz DQRYSXGRBQCZEM-QGZVFWFLSA-N 1 0 405.605 2.720 20 0 HFADRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000788846108 1077318411 /nfs/dbraw/zinc/31/84/11/1077318411.db2.gz GLAVYZGULVOHQK-HXUWFJFHSA-N 1 0 424.630 2.659 20 0 HFADRO CC(C)[C@@H](NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000788861637 1077322855 /nfs/dbraw/zinc/32/28/55/1077322855.db2.gz VDFVQWSGBMWIRX-RPWUZVMVSA-N 1 0 424.589 2.991 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc(N4CCOCC4)cn3)nc3ccc(C)cc3n12 ZINC001170149819 1077325098 /nfs/dbraw/zinc/32/50/98/1077325098.db2.gz KBFVDJZWGZVFET-UHFFFAOYSA-N 1 0 417.517 2.828 20 0 HFADRO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1F ZINC000788882762 1077329095 /nfs/dbraw/zinc/32/90/95/1077329095.db2.gz VEZLQZRGDSDDOD-AWEZNQCLSA-N 1 0 404.479 2.540 20 0 HFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788925178 1077338008 /nfs/dbraw/zinc/33/80/08/1077338008.db2.gz CULINJIGOYHMPW-QFBILLFUSA-N 1 0 414.550 2.980 20 0 HFADRO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)[N@H+](C)Cc1ccccc1 ZINC000746774553 1077342456 /nfs/dbraw/zinc/34/24/56/1077342456.db2.gz QHUFSKGJWCVPOU-RDJZCZTQSA-N 1 0 414.472 2.702 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl)c1ccco1 ZINC000791215544 1077347367 /nfs/dbraw/zinc/34/73/67/1077347367.db2.gz VTZBYLQCWQTMMT-NSHDSACASA-N 1 0 419.956 2.763 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[NH+](C)C ZINC000788914582 1077351884 /nfs/dbraw/zinc/35/18/84/1077351884.db2.gz CYLOSRUOWCNCOS-JXFKEZNVSA-N 1 0 417.531 2.921 20 0 HFADRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000788916901 1077354408 /nfs/dbraw/zinc/35/44/08/1077354408.db2.gz OKYMFFLLQCWPTL-UHFFFAOYSA-N 1 0 409.474 2.930 20 0 HFADRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl)[NH+](C)C ZINC000788918479 1077354634 /nfs/dbraw/zinc/35/46/34/1077354634.db2.gz HWDYXCSBMJLBAR-MRXNPFEDSA-N 1 0 403.976 2.687 20 0 HFADRO CCC(CC)[C@H](CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl)[NH+](C)C ZINC000788918476 1077354724 /nfs/dbraw/zinc/35/47/24/1077354724.db2.gz HWDYXCSBMJLBAR-INIZCTEOSA-N 1 0 403.976 2.687 20 0 HFADRO COc1ccc2nc(C[NH2+]CC[C@@](O)(c3nccn3C)C(F)(F)F)sc2c1 ZINC000788967446 1077365976 /nfs/dbraw/zinc/36/59/76/1077365976.db2.gz PNJFPMSMWXTAHX-MRXNPFEDSA-N 1 0 400.426 2.968 20 0 HFADRO Cc1cn(-c2cc(N(CC[NH3+])c3nc4ccc(C)cc4n4c(C)cnc34)ncn2)cn1 ZINC001170152070 1077371546 /nfs/dbraw/zinc/37/15/46/1077371546.db2.gz SFSGKCRMISVRCD-UHFFFAOYSA-N 1 0 413.489 2.880 20 0 HFADRO CN1CC[NH+](CCCCNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789031235 1077388837 /nfs/dbraw/zinc/38/88/37/1077388837.db2.gz QHRRGYZLLWDZAD-UHFFFAOYSA-N 1 0 423.989 2.563 20 0 HFADRO Cn1cc([C@H]2C[N@H+](C[C@@H](O)c3ccccc3)CCN2C[C@@H](O)c2ccccc2)cn1 ZINC000791486568 1077426853 /nfs/dbraw/zinc/42/68/53/1077426853.db2.gz MHTPRXQBZHCNSW-WXFUMESZSA-N 1 0 406.530 2.546 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C2)c1 ZINC000791471057 1077442968 /nfs/dbraw/zinc/44/29/68/1077442968.db2.gz LFLHHBYTBUQGKH-GHTZIAJQSA-N 1 0 413.474 2.743 20 0 HFADRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000791470304 1077443691 /nfs/dbraw/zinc/44/36/91/1077443691.db2.gz SZTCWOSBMFWDLX-FCHUYYIVSA-N 1 0 422.529 2.506 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(c4cccc(OC)c4)=NO3)cc2)CC1 ZINC000791472980 1077444480 /nfs/dbraw/zinc/44/44/80/1077444480.db2.gz OVRXOUJVSSAUOY-JOCHJYFZSA-N 1 0 408.502 2.969 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3nc(Cl)cs3)CC2)cc1 ZINC000789215956 1077446765 /nfs/dbraw/zinc/44/67/65/1077446765.db2.gz JRORANARHISOPO-UHFFFAOYSA-N 1 0 407.923 2.996 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)COc2ccc(Br)cc2F)CC1 ZINC000791519309 1077452938 /nfs/dbraw/zinc/45/29/38/1077452938.db2.gz GJQRXJMMPYRTEE-UHFFFAOYSA-N 1 0 417.319 2.926 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)C2)c1 ZINC000791524857 1077454755 /nfs/dbraw/zinc/45/47/55/1077454755.db2.gz NYFGCWZJEGDCTF-JOCHJYFZSA-N 1 0 408.502 2.969 20 0 HFADRO CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000791541898 1077459156 /nfs/dbraw/zinc/45/91/56/1077459156.db2.gz CXEDFKWUNRIMCM-SFHVURJKSA-N 1 0 417.307 2.538 20 0 HFADRO Fc1ccc(CCNC(=S)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000789209930 1077463552 /nfs/dbraw/zinc/46/35/52/1077463552.db2.gz YSGXEYXALAJOFN-UHFFFAOYSA-N 1 0 407.477 2.829 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000791569246 1077464339 /nfs/dbraw/zinc/46/43/39/1077464339.db2.gz KGLUTWQTVXQSQU-UHFFFAOYSA-N 1 0 418.534 2.770 20 0 HFADRO CCc1ccccc1N1C[C@@H](C(=O)OCCCN2CC[NH+](C(C)C)CC2)CC1=O ZINC000791569625 1077465179 /nfs/dbraw/zinc/46/51/79/1077465179.db2.gz LHSXTULTICXIOZ-FQEVSTJZSA-N 1 0 401.551 2.561 20 0 HFADRO CCc1ccccc1N1C[C@H](C(=O)OCCCN2CC[NH+](C(C)C)CC2)CC1=O ZINC000791569627 1077465241 /nfs/dbraw/zinc/46/52/41/1077465241.db2.gz LHSXTULTICXIOZ-HXUWFJFHSA-N 1 0 401.551 2.561 20 0 HFADRO CC(C)c1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)n(-c2ncccn2)n1 ZINC000789249504 1077472733 /nfs/dbraw/zinc/47/27/33/1077472733.db2.gz KFWXJNBNCTXRPB-KRWDZBQOSA-N 1 0 413.526 2.551 20 0 HFADRO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791619067 1077489744 /nfs/dbraw/zinc/48/97/44/1077489744.db2.gz LAPLUQWIPYULHA-NXHRZFHOSA-N 1 0 405.502 2.659 20 0 HFADRO Cc1cc2nc(C)c(CCC(=O)OCCCN3CC[NH+](C(C)C)CC3)c(C)n2n1 ZINC000791620929 1077490447 /nfs/dbraw/zinc/49/04/47/1077490447.db2.gz SFCGNZPYXWOMSI-UHFFFAOYSA-N 1 0 401.555 2.546 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCC[N@H+](C)Cc3ccc(F)cc3)C2)c1 ZINC000791624564 1077491786 /nfs/dbraw/zinc/49/17/86/1077491786.db2.gz MZRAYLROQZKREE-OAQYLSRUSA-N 1 0 415.465 2.584 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)C2)c1 ZINC000791600717 1077499742 /nfs/dbraw/zinc/49/97/42/1077499742.db2.gz AZLMROZLXMVHAH-HRAATJIYSA-N 1 0 401.507 2.674 20 0 HFADRO O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789311600 1077509793 /nfs/dbraw/zinc/50/97/93/1077509793.db2.gz NLNKMZMQKOGZTL-MRXNPFEDSA-N 1 0 420.893 2.994 20 0 HFADRO Cc1cc(C)c(N2CC[C@@H](N(C)CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)c1 ZINC000789351684 1077512847 /nfs/dbraw/zinc/51/28/47/1077512847.db2.gz GBBUTQOIGPDCMZ-HXUWFJFHSA-N 1 0 405.498 2.945 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](N(C)CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)c1 ZINC000789351682 1077512882 /nfs/dbraw/zinc/51/28/82/1077512882.db2.gz GBBUTQOIGPDCMZ-FQEVSTJZSA-N 1 0 405.498 2.945 20 0 HFADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000746802485 1077524508 /nfs/dbraw/zinc/52/45/08/1077524508.db2.gz CQDODQARDCTHDD-UHFFFAOYSA-N 1 0 404.511 2.515 20 0 HFADRO Cc1cc(C)c(N2C[C@@H](C(=O)OCCCN3CC[NH+](C(C)C)CC3)CC2=O)c(C)c1 ZINC000791695238 1077531106 /nfs/dbraw/zinc/53/11/06/1077531106.db2.gz RWTSJEBBRUBOFZ-NRFANRHFSA-N 1 0 415.578 2.924 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)C2)c1 ZINC000791699346 1077532235 /nfs/dbraw/zinc/53/22/35/1077532235.db2.gz GCBGGANKEJNWSC-DMPWYTOCSA-N 1 0 415.534 2.966 20 0 HFADRO CN(C)c1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)Nc2ccccc2Cl)cc1 ZINC000789393887 1077535875 /nfs/dbraw/zinc/53/58/75/1077535875.db2.gz PHXWMMXVJNFJPG-UHFFFAOYSA-O 1 0 415.930 2.625 20 0 HFADRO Cc1cccc(C)c1NC(=S)C(C(=O)c1cnn(C)n1)[n+]1ccc(N(C)C)cc1 ZINC000789395623 1077537068 /nfs/dbraw/zinc/53/70/68/1077537068.db2.gz ZJLMAIJQSKMJQJ-UHFFFAOYSA-O 1 0 409.539 2.589 20 0 HFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000746802771 1077543849 /nfs/dbraw/zinc/54/38/49/1077543849.db2.gz IQBXLPMOWLNJHI-KRWDZBQOSA-N 1 0 402.514 2.555 20 0 HFADRO CCO[C@@H](CCNC(=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000746804327 1077547178 /nfs/dbraw/zinc/54/71/78/1077547178.db2.gz UETBVIOTEXKFTN-NRFANRHFSA-N 1 0 418.582 2.723 20 0 HFADRO Cc1cccc(-n2cc(C(=O)C(C(=S)NC3(C)CC3)[n+]3cccc(CO)c3)nn2)c1 ZINC000789419349 1077551084 /nfs/dbraw/zinc/55/10/84/1077551084.db2.gz HIIZSTBPSINZHD-UHFFFAOYSA-O 1 0 422.534 2.709 20 0 HFADRO COC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746810950 1077553224 /nfs/dbraw/zinc/55/32/24/1077553224.db2.gz GADWYUURFSRGCV-KRWDZBQOSA-N 1 0 418.881 2.876 20 0 HFADRO Cc1cc[n+](C(C(=O)c2cnn(C)n2)C(=S)N[C@H]2CCc3ccccc3C2)cc1 ZINC000789406074 1077562360 /nfs/dbraw/zinc/56/23/60/1077562360.db2.gz UIVLRWLEAKNZDU-SFHVURJKSA-O 1 0 406.535 2.769 20 0 HFADRO COC(=O)c1cccc(C(=O)C(C(=S)NC2(C)CC2)[n+]2ccc(N(C)C)cc2)c1 ZINC000789412847 1077565089 /nfs/dbraw/zinc/56/50/89/1077565089.db2.gz UMUUVDVNHZXBRO-UHFFFAOYSA-O 1 0 412.535 2.660 20 0 HFADRO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000746807967 1077567003 /nfs/dbraw/zinc/56/70/03/1077567003.db2.gz CUAUKXHGIZZWFO-PZJWPPBQSA-N 1 0 420.557 2.857 20 0 HFADRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)[C@H]2CC(c3cccnc3)=NO2)CC1 ZINC000791785831 1077569559 /nfs/dbraw/zinc/56/95/59/1077569559.db2.gz YILNWINDWQGRKD-JOCHJYFZSA-N 1 0 407.518 2.991 20 0 HFADRO CNC(=O)c1cncc(/C=C/C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c1 ZINC000791787853 1077570139 /nfs/dbraw/zinc/57/01/39/1077570139.db2.gz ZALYNVIQODTBMQ-CMDGGOBGSA-N 1 0 421.545 2.871 20 0 HFADRO Cc1csc([C@@](O)(CC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C(F)(F)F)n1 ZINC000746818486 1077571228 /nfs/dbraw/zinc/57/12/28/1077571228.db2.gz ATZOQVCKUNAGSS-YJBOKZPZSA-N 1 0 415.481 2.881 20 0 HFADRO O=S(=O)(c1ccccc1)N1CCN(CCNc2cccc(C3=[NH+]CCC3)c2)CC1 ZINC001170107897 1077573941 /nfs/dbraw/zinc/57/39/41/1077573941.db2.gz GXYHGPXNQWDMDG-UHFFFAOYSA-N 1 0 412.559 2.688 20 0 HFADRO O=C(CCC(=O)N1CCOc2ccccc21)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791827182 1077575635 /nfs/dbraw/zinc/57/56/35/1077575635.db2.gz XRIBCBXFPJEMQY-FQEVSTJZSA-N 1 0 407.514 2.831 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000746815247 1077580117 /nfs/dbraw/zinc/58/01/17/1077580117.db2.gz YOJKBXHDOFMJMJ-HNNXBMFYSA-N 1 0 415.506 2.899 20 0 HFADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 ZINC000746814847 1077581300 /nfs/dbraw/zinc/58/13/00/1077581300.db2.gz WDLXQPGDZYIRCN-UHFFFAOYSA-N 1 0 416.566 2.878 20 0 HFADRO CS(=O)(=O)c1cccc(C(=O)COC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000791901603 1077590198 /nfs/dbraw/zinc/59/01/98/1077590198.db2.gz JPXZGFPPODKTHD-LJQANCHMSA-N 1 0 415.511 2.728 20 0 HFADRO Brc1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(N2CCOCC2)c1 ZINC000789508072 1077600821 /nfs/dbraw/zinc/60/08/21/1077600821.db2.gz VQMLAQIQRDTEFP-MRXNPFEDSA-N 1 0 411.340 2.871 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1c2ccccc2OCCC1=O ZINC000791979994 1077621251 /nfs/dbraw/zinc/62/12/51/1077621251.db2.gz RLTOJHTUYLWYLC-ICSRJNTNSA-N 1 0 405.498 2.945 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000791981216 1077621715 /nfs/dbraw/zinc/62/17/15/1077621715.db2.gz DIJBODRWYFZATE-HKUYNNGSSA-N 1 0 410.543 2.955 20 0 HFADRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)NC1CCC2(CC1)OCCO2 ZINC000792013635 1077649428 /nfs/dbraw/zinc/64/94/28/1077649428.db2.gz CXIWEQOSQABTKU-UHFFFAOYSA-N 1 0 405.461 2.777 20 0 HFADRO Cc1ccc(CN(C)C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)nc1 ZINC000789613571 1077684178 /nfs/dbraw/zinc/68/41/78/1077684178.db2.gz JNMFQTGNVLLILJ-UHFFFAOYSA-N 1 0 409.534 2.518 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)C2)c1 ZINC000792049123 1077694105 /nfs/dbraw/zinc/69/41/05/1077694105.db2.gz CDMZSVNJNMYSKN-HKUYNNGSSA-N 1 0 403.504 2.677 20 0 HFADRO O=C(NCc1nc(Cc2ccccc2)no1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792050210 1077694162 /nfs/dbraw/zinc/69/41/62/1077694162.db2.gz UIFVFUMCKGIFPM-FQEVSTJZSA-N 1 0 405.502 2.982 20 0 HFADRO COc1ccc(C[NH+](C)C)cc1NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792052142 1077695505 /nfs/dbraw/zinc/69/55/05/1077695505.db2.gz HPYRFQFCAYDOLT-UHFFFAOYSA-N 1 0 420.554 2.638 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2cccc(Cc3cnc(N)s3)c2)CC1 ZINC000792104234 1077698213 /nfs/dbraw/zinc/69/82/13/1077698213.db2.gz LXRPJIPWPMTYQD-UHFFFAOYSA-N 1 0 402.564 2.889 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1)c1ccco1 ZINC000792096860 1077713388 /nfs/dbraw/zinc/71/33/88/1077713388.db2.gz KIAJOHYYDJFOJM-WIYYLYMNSA-N 1 0 415.490 2.989 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)C2)c1 ZINC000792132264 1077717560 /nfs/dbraw/zinc/71/75/60/1077717560.db2.gz KCFCMPFRCZSSAB-KKSFZXQISA-N 1 0 401.507 2.674 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)C2)c1 ZINC000792138019 1077719381 /nfs/dbraw/zinc/71/93/81/1077719381.db2.gz ZVWAIOFGASQYHQ-JOCHJYFZSA-N 1 0 411.502 2.835 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789658253 1077722685 /nfs/dbraw/zinc/72/26/85/1077722685.db2.gz CUUVCFPAYXMFOI-XZOQPEGZSA-N 1 0 423.557 2.658 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000789658250 1077722743 /nfs/dbraw/zinc/72/27/43/1077722743.db2.gz CUUVCFPAYXMFOI-DHIUTWEWSA-N 1 0 423.557 2.658 20 0 HFADRO CC(C)(C)OC(=O)N1CC(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792152060 1077724521 /nfs/dbraw/zinc/72/45/21/1077724521.db2.gz HFUMDLLFGZTYQM-GOSISDBHSA-N 1 0 402.539 2.675 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000792172421 1077733855 /nfs/dbraw/zinc/73/38/55/1077733855.db2.gz WBXRMJPVWRYHIA-GOSISDBHSA-N 1 0 402.457 2.568 20 0 HFADRO COC(=O)N1CCC([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000792177129 1077735981 /nfs/dbraw/zinc/73/59/81/1077735981.db2.gz BHFAVYHPTJMNFT-MJGOQNOKSA-N 1 0 402.539 2.675 20 0 HFADRO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000746844248 1077739644 /nfs/dbraw/zinc/73/96/44/1077739644.db2.gz RGTITKDHPMHITJ-QUCCMNQESA-N 1 0 418.582 2.594 20 0 HFADRO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)Nc1cccc3c1OCC[C@H]3[NH+](C)C)CCC2 ZINC000789722515 1077757983 /nfs/dbraw/zinc/75/79/83/1077757983.db2.gz LSXUXCYNYIITGV-DLBZAZTESA-N 1 0 414.531 2.969 20 0 HFADRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1nc(Br)ccc1F ZINC000792238257 1077759530 /nfs/dbraw/zinc/75/95/30/1077759530.db2.gz MVOYDFORYWMTRO-ZBFHGGJFSA-N 1 0 422.298 2.596 20 0 HFADRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000792244306 1077762820 /nfs/dbraw/zinc/76/28/20/1077762820.db2.gz WWWPPSIXAMNTMZ-UKRRQHHQSA-N 1 0 422.323 2.980 20 0 HFADRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000792213213 1077767689 /nfs/dbraw/zinc/76/76/89/1077767689.db2.gz FOAOKUGHMBDQCY-UHFFFAOYSA-N 1 0 420.554 2.977 20 0 HFADRO O=C(NC[C@H](O)c1ccccc1F)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792278500 1077772501 /nfs/dbraw/zinc/77/25/01/1077772501.db2.gz ZOTNFGFGCKXVAI-KVULBXGLSA-N 1 0 403.420 2.964 20 0 HFADRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001170119660 1077774849 /nfs/dbraw/zinc/77/48/49/1077774849.db2.gz WPYMDZTUCPQBSF-ROUUACIJSA-N 1 0 405.612 2.821 20 0 HFADRO CN(C)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)cc1 ZINC000792285634 1077775604 /nfs/dbraw/zinc/77/56/04/1077775604.db2.gz CXQLBWBPNDULGW-LJQANCHMSA-N 1 0 407.518 2.614 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2nn(-c3cccc(Cl)c3)cc2O)CC1 ZINC000792294035 1077778253 /nfs/dbraw/zinc/77/82/53/1077778253.db2.gz JJHDYVAGHUAINP-UHFFFAOYSA-N 1 0 406.914 2.804 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)C2)c1 ZINC000792265423 1077787066 /nfs/dbraw/zinc/78/70/66/1077787066.db2.gz XGQHWNKZVSPASO-IERDGZPVSA-N 1 0 403.523 2.681 20 0 HFADRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000792275462 1077790537 /nfs/dbraw/zinc/79/05/37/1077790537.db2.gz BFHOENSCESVOCB-MRXNPFEDSA-N 1 0 418.563 2.682 20 0 HFADRO CN(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000792369849 1077818657 /nfs/dbraw/zinc/81/86/57/1077818657.db2.gz WSWPDQTXVVOQRM-KRWDZBQOSA-N 1 0 414.937 2.983 20 0 HFADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCc2cc(F)c(Cl)cc2F)CC1 ZINC000789810200 1077820882 /nfs/dbraw/zinc/82/08/82/1077820882.db2.gz VVICRVQXDAUNSS-UHFFFAOYSA-N 1 0 422.863 2.625 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)NCc1ccccn1)CC2 ZINC000792332781 1077822117 /nfs/dbraw/zinc/82/21/17/1077822117.db2.gz WNKNKIMMRIEDSO-UHFFFAOYSA-N 1 0 402.539 2.811 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC(=O)N1CCOC[C@@H]1C1CC1)CC2 ZINC000792333307 1077822856 /nfs/dbraw/zinc/82/28/56/1077822856.db2.gz MOKMCXMXBIDCKK-LJQANCHMSA-N 1 0 421.582 2.737 20 0 HFADRO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCc1ccc(S(N)(=O)=O)cc1 ZINC000792337034 1077824846 /nfs/dbraw/zinc/82/48/46/1077824846.db2.gz WOMDLVDEJJXPCE-JOCHJYFZSA-N 1 0 416.543 2.517 20 0 HFADRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000792376846 1077826530 /nfs/dbraw/zinc/82/65/30/1077826530.db2.gz ONRUBEMNUWWZEC-QZTJIDSGSA-N 1 0 410.440 2.602 20 0 HFADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1nc(Br)ccc1F ZINC000792342469 1077827165 /nfs/dbraw/zinc/82/71/65/1077827165.db2.gz SXYTYRZWWOINJA-LJQANCHMSA-N 1 0 422.298 2.692 20 0 HFADRO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792388777 1077831036 /nfs/dbraw/zinc/83/10/36/1077831036.db2.gz MKZFWPYWMJYKEN-GOSISDBHSA-N 1 0 412.509 2.801 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC000792398497 1077834840 /nfs/dbraw/zinc/83/48/40/1077834840.db2.gz ZGVMDLQAYUWLRR-UHFFFAOYSA-N 1 0 404.898 2.581 20 0 HFADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(Cl)cc2OC)c1 ZINC000792398444 1077834950 /nfs/dbraw/zinc/83/49/50/1077834950.db2.gz XVYNOWSKSHVFAD-UHFFFAOYSA-N 1 0 419.909 2.886 20 0 HFADRO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789883816 1077835695 /nfs/dbraw/zinc/83/56/95/1077835695.db2.gz CLJATWLVNOXIOP-UDFXALJUSA-N 1 0 421.541 2.900 20 0 HFADRO O=C(Nc1cccc(C(F)(F)F)n1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792405304 1077838952 /nfs/dbraw/zinc/83/89/52/1077838952.db2.gz QAXXDQWRQNQDND-IYBDPMFKSA-N 1 0 418.419 2.629 20 0 HFADRO CCC[C@@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC)[C@H](O)c1ccccc1 ZINC000792405354 1077839000 /nfs/dbraw/zinc/83/90/00/1077839000.db2.gz BGDKTGKMVPRSJU-WIYYLYMNSA-N 1 0 413.518 2.714 20 0 HFADRO CCn1cc([C@@H](O)C[N@H+](CCn2cnc3ccccc3c2=O)Cc2ccccc2)cn1 ZINC000792378502 1077844131 /nfs/dbraw/zinc/84/41/31/1077844131.db2.gz QAAOIANBDDIJGH-QHCPKHFHSA-N 1 0 417.513 2.849 20 0 HFADRO C[C@@H](OC(=O)c1nc2cccnc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792382078 1077845819 /nfs/dbraw/zinc/84/58/19/1077845819.db2.gz QLIPLTGPYICHJM-ZBFHGGJFSA-N 1 0 410.499 2.627 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@H]3C)cc2)CC1 ZINC000792385111 1077847988 /nfs/dbraw/zinc/84/79/88/1077847988.db2.gz DTDJEYOIGHPZEG-RHSMWYFYSA-N 1 0 412.456 2.566 20 0 HFADRO CC[C@]1([NH2+]CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CCOC1 ZINC000792417780 1077849204 /nfs/dbraw/zinc/84/92/04/1077849204.db2.gz JSNOHILSVKCSRR-QFIPXVFZSA-N 1 0 411.458 2.765 20 0 HFADRO C[C@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000792462002 1077858664 /nfs/dbraw/zinc/85/86/64/1077858664.db2.gz BMTDYFVRMQOCND-INIZCTEOSA-N 1 0 404.580 2.510 20 0 HFADRO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)=NO1 ZINC000789954681 1077867018 /nfs/dbraw/zinc/86/70/18/1077867018.db2.gz MZMRNKUMHKRHOU-MJGOQNOKSA-N 1 0 416.522 2.609 20 0 HFADRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000792499041 1077868105 /nfs/dbraw/zinc/86/81/05/1077868105.db2.gz SWJJKYDMVGHKIS-HXUWFJFHSA-N 1 0 406.530 2.572 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792499106 1077868417 /nfs/dbraw/zinc/86/84/17/1077868417.db2.gz UTNOMCDVSIKANQ-PGRDOPGGSA-N 1 0 405.514 2.974 20 0 HFADRO COc1cc(C(F)(F)F)ncc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000792514799 1077882707 /nfs/dbraw/zinc/88/27/07/1077882707.db2.gz YFQXBAWSLSGHJH-ZDUSSCGKSA-N 1 0 402.417 2.874 20 0 HFADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000746870486 1077893612 /nfs/dbraw/zinc/89/36/12/1077893612.db2.gz BSVYBDIYUSBJIU-UHFFFAOYSA-N 1 0 411.543 2.603 20 0 HFADRO O=C(Cc1cnn(-c2ccccc2)n1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792551340 1077900092 /nfs/dbraw/zinc/90/00/92/1077900092.db2.gz KYGDDAYFGUBDEW-UHFFFAOYSA-N 1 0 407.440 2.731 20 0 HFADRO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000772797984 1077900792 /nfs/dbraw/zinc/90/07/92/1077900792.db2.gz KVCXCCZSZNBHEB-DENIHFKCSA-N 1 0 400.567 2.801 20 0 HFADRO O=C(COC(=O)c1ccc2c[nH+]cn2c1)NCCOc1cccc(C(F)(F)F)c1 ZINC000792565845 1077905611 /nfs/dbraw/zinc/90/56/11/1077905611.db2.gz SDRWCIQNOSVIQF-UHFFFAOYSA-N 1 0 407.348 2.705 20 0 HFADRO CC[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CCO1 ZINC001170207211 1077906513 /nfs/dbraw/zinc/90/65/13/1077906513.db2.gz KGOSOPFFSIBLGA-YXVFRVAKSA-N 1 0 422.566 2.922 20 0 HFADRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000790010208 1077911463 /nfs/dbraw/zinc/91/14/63/1077911463.db2.gz JZNSWVGRTDFHSM-MRXNPFEDSA-N 1 0 401.532 2.915 20 0 HFADRO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792578255 1077915079 /nfs/dbraw/zinc/91/50/79/1077915079.db2.gz LSPSZXVZHHRHLE-CEXWTWQISA-N 1 0 417.575 2.887 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000792579781 1077915883 /nfs/dbraw/zinc/91/58/83/1077915883.db2.gz XAWRCDPIIKWHDP-SELNLUPBSA-N 1 0 417.525 2.926 20 0 HFADRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790020834 1077916814 /nfs/dbraw/zinc/91/68/14/1077916814.db2.gz NCWZJZDGLGCDQY-KRWDZBQOSA-N 1 0 413.584 2.966 20 0 HFADRO CC[C@@H]1C[C@H](N(CC2CC2)c2nc3c(cc2C(=O)N(C)C)CC[NH2+]CC3)CCO1 ZINC001170224938 1077917039 /nfs/dbraw/zinc/91/70/39/1077917039.db2.gz WKGOYJNXFRFNAC-RTBURBONSA-N 1 0 400.567 2.646 20 0 HFADRO COC(=O)C1=NOC2(C1)CC[NH+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC000790079855 1077924614 /nfs/dbraw/zinc/92/46/14/1077924614.db2.gz GJDXPKIYANUAOT-MRXNPFEDSA-N 1 0 409.527 2.808 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC001170274311 1077926246 /nfs/dbraw/zinc/92/62/46/1077926246.db2.gz BACJYPZTYKNZSE-WLKXKRCBSA-N 1 0 414.937 2.970 20 0 HFADRO NC(=O)c1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](n3ccnc3)C1)CCCC2 ZINC000772746674 1077928187 /nfs/dbraw/zinc/92/81/87/1077928187.db2.gz FDNDVZWHTBRLJZ-AWEZNQCLSA-N 1 0 401.536 2.588 20 0 HFADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790049431 1077929553 /nfs/dbraw/zinc/92/95/53/1077929553.db2.gz GIGXZOJELFBBQI-WOJBJXKFSA-N 1 0 414.594 2.572 20 0 HFADRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)Oc1cccc(OC(F)(F)F)c1 ZINC000790051312 1077931148 /nfs/dbraw/zinc/93/11/48/1077931148.db2.gz NIJAGIDNRGSZAO-UHFFFAOYSA-N 1 0 407.414 2.728 20 0 HFADRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cnc(F)cc2C(=O)OCc2ccccc2)O1 ZINC001170280374 1077936207 /nfs/dbraw/zinc/93/62/07/1077936207.db2.gz ZNPNYGOLULXNQJ-OPYAIIAOSA-N 1 0 403.454 2.714 20 0 HFADRO COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2nnnn2C2CC2)[NH+]2CCCCC2)cc1 ZINC000790109556 1077939267 /nfs/dbraw/zinc/93/92/67/1077939267.db2.gz CRRCAZWPDFIYDC-HNAYVOBHSA-N 1 0 413.526 2.604 20 0 HFADRO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170333732 1077945845 /nfs/dbraw/zinc/94/58/45/1077945845.db2.gz QTDAQNQMRGOPNZ-XXBNENTESA-N 1 0 403.567 2.812 20 0 HFADRO C[C@@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001170333751 1077946146 /nfs/dbraw/zinc/94/61/46/1077946146.db2.gz QZWUWORGKAFILK-IBGZPJMESA-N 1 0 401.576 2.891 20 0 HFADRO CC(C)C[NH2+]C1(CO)CCN([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC001170364472 1077950770 /nfs/dbraw/zinc/95/07/70/1077950770.db2.gz GAPDFZJDHWDMLB-KRWDZBQOSA-N 1 0 418.607 2.716 20 0 HFADRO COc1ccc(-c2csc(NC(=O)[C@@H](C)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)n2)cc1 ZINC001170351587 1077956066 /nfs/dbraw/zinc/95/60/66/1077956066.db2.gz MAEPQKGDOMXSMI-OWCLPIDISA-N 1 0 418.563 2.533 20 0 HFADRO CC(C)(C)C(=O)N1CCC(CNc2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC001170350813 1077956141 /nfs/dbraw/zinc/95/61/41/1077956141.db2.gz QIFOTERPTBEBJF-UHFFFAOYSA-N 1 0 421.607 2.909 20 0 HFADRO C[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790154089 1077960503 /nfs/dbraw/zinc/96/05/03/1077960503.db2.gz OVCPBOCMRICMRE-GUYCJALGSA-N 1 0 403.918 2.859 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)C[NH+]1CCCC1 ZINC000790187845 1077966579 /nfs/dbraw/zinc/96/65/79/1077966579.db2.gz IGBWGDAICCGHPA-RDJZCZTQSA-N 1 0 411.468 2.869 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001170412229 1077966780 /nfs/dbraw/zinc/96/67/80/1077966780.db2.gz OMMVWINZHOCTGS-QZTJIDSGSA-N 1 0 407.474 2.579 20 0 HFADRO COc1ccc(Cl)cc1NC(=S)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000792678404 1077971385 /nfs/dbraw/zinc/97/13/85/1077971385.db2.gz XQBQUGRLWGKQGY-UHFFFAOYSA-N 1 0 405.955 2.982 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000790212545 1077971419 /nfs/dbraw/zinc/97/14/19/1077971419.db2.gz YMXSQMTWFJXVAZ-BHIFYINESA-N 1 0 411.550 2.775 20 0 HFADRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1nnnn1C)c1ccc(C(F)(F)F)cc1 ZINC000790249825 1077976840 /nfs/dbraw/zinc/97/68/40/1077976840.db2.gz KYTXOOMSOOWGDO-DOMZBBRYSA-N 1 0 413.448 2.672 20 0 HFADRO CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000790234190 1077982534 /nfs/dbraw/zinc/98/25/34/1077982534.db2.gz DCZNAYXWXZWHIW-GOSISDBHSA-N 1 0 419.503 2.506 20 0 HFADRO COCc1ncsc1C(=O)OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000792753632 1077986424 /nfs/dbraw/zinc/98/64/24/1077986424.db2.gz PNYVIPUZRNWNCE-UHFFFAOYSA-N 1 0 417.531 2.536 20 0 HFADRO O=S(=O)(C[C@@H]1CCCOC1)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000792758350 1077987320 /nfs/dbraw/zinc/98/73/20/1077987320.db2.gz RLCYBUVQTUKTNG-MRXNPFEDSA-N 1 0 416.971 2.529 20 0 HFADRO CN(Cc1ccc(F)cc1Br)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000790292464 1077987578 /nfs/dbraw/zinc/98/75/78/1077987578.db2.gz KOFGLQGQPPBPHW-CABCVRRESA-N 1 0 400.292 2.593 20 0 HFADRO COC(=O)c1ccc(OC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000792726808 1077988742 /nfs/dbraw/zinc/98/87/42/1077988742.db2.gz XQBBSCSCBTYEPN-UHFFFAOYSA-N 1 0 412.486 2.990 20 0 HFADRO CC(C)[NH+]1CCC(NC(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792789037 1077991946 /nfs/dbraw/zinc/99/19/46/1077991946.db2.gz HSCJNHINWZIAFT-JOCHJYFZSA-N 1 0 402.539 2.960 20 0 HFADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000790271758 1077992219 /nfs/dbraw/zinc/99/22/19/1077992219.db2.gz ASTWOURJPORYQH-KBAYOESNSA-N 1 0 409.452 2.764 20 0 HFADRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)[C@@H]2CCCC[C@@H]12 ZINC000790315724 1077995189 /nfs/dbraw/zinc/99/51/89/1077995189.db2.gz XXVSASDJHWJUKC-JQGJOVNVSA-N 1 0 419.610 2.950 20 0 HFADRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000747086879 1077997411 /nfs/dbraw/zinc/99/74/11/1077997411.db2.gz IHOHBBDGUVZLSP-WZONZLPQSA-N 1 0 414.550 2.862 20 0 HFADRO COc1ccc([C@@H]2C[C@H]2NC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000792816612 1078003750 /nfs/dbraw/zinc/00/37/50/1078003750.db2.gz NBEOYIWLBRAPLF-XZOQPEGZSA-N 1 0 408.546 2.798 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCC(CN3CCc4ccccc43)CC1)C[NH+]1CCC2CC1 ZINC000790362972 1078004620 /nfs/dbraw/zinc/00/46/20/1078004620.db2.gz QDMIRMFSMYZNMX-XMMPIXPASA-N 1 0 410.562 2.635 20 0 HFADRO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=S)NCC2CC[NH+](C)CC2)cn1 ZINC000790340483 1078007192 /nfs/dbraw/zinc/00/71/92/1078007192.db2.gz RWUZEFSNKRDXEH-OAQYLSRUSA-N 1 0 415.607 2.655 20 0 HFADRO O=C1O[C@]2(CN1CN1CCO[C@@H](c3ccc(F)cc3Cl)C1)C[NH+]1CCC2CC1 ZINC000790382099 1078009582 /nfs/dbraw/zinc/00/95/82/1078009582.db2.gz DFEBQLJSIPIYAK-QUCCMNQESA-N 1 0 409.889 2.727 20 0 HFADRO C[C@H](CNC(=O)N(CCO)Cc1cccnc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000792861802 1078010779 /nfs/dbraw/zinc/01/07/79/1078010779.db2.gz ALVZDINUVONIRO-MRXNPFEDSA-N 1 0 402.926 2.686 20 0 HFADRO CN(Cc1ccc(F)cc1Br)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790384357 1078010960 /nfs/dbraw/zinc/01/09/60/1078010960.db2.gz HBZRBDLIYRBGDB-GOSISDBHSA-N 1 0 412.303 2.894 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000792867210 1078011721 /nfs/dbraw/zinc/01/17/21/1078011721.db2.gz MLHXFWNFNBYHCP-KZNAEPCWSA-N 1 0 400.585 2.923 20 0 HFADRO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790387560 1078012049 /nfs/dbraw/zinc/01/20/49/1078012049.db2.gz QRAIULQXXFLNET-GCJKJVERSA-N 1 0 422.570 2.582 20 0 HFADRO COc1ccc(Br)c(CN(C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790392100 1078013496 /nfs/dbraw/zinc/01/34/96/1078013496.db2.gz XJPWPKJZJZMAQL-IBGZPJMESA-N 1 0 424.339 2.764 20 0 HFADRO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1)OCc1ccccc1 ZINC000792852674 1078014797 /nfs/dbraw/zinc/01/47/97/1078014797.db2.gz CHHBOUOEUWSLKQ-HBMCJLEFSA-N 1 0 414.550 2.961 20 0 HFADRO O=C1O[C@@]2(CN1CN1CCc3sc(Br)cc3C1)C[NH+]1CCC2CC1 ZINC000790369924 1078016296 /nfs/dbraw/zinc/01/62/96/1078016296.db2.gz LXQDHOBLRTULOC-QGZVFWFLSA-N 1 0 412.353 2.743 20 0 HFADRO C[C@H](c1ccc(Cl)cc1)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790372968 1078017204 /nfs/dbraw/zinc/01/72/04/1078017204.db2.gz XKRCYIXNWPMOPL-VGSWGCGISA-N 1 0 418.969 2.893 20 0 HFADRO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)c1ccccc1C(=O)NCc1ccco1 ZINC000792923256 1078026866 /nfs/dbraw/zinc/02/68/66/1078026866.db2.gz DLQRUBGNUPZYAF-LEWJYISDSA-N 1 0 411.502 2.816 20 0 HFADRO CN(C(=O)C[N@@H+]1CCCCC[C@H]1CCO)c1ccccc1C(=O)NCc1ccco1 ZINC000792928492 1078027493 /nfs/dbraw/zinc/02/74/93/1078027493.db2.gz UOZBCPMSBMGHGZ-SFHVURJKSA-N 1 0 413.518 2.799 20 0 HFADRO COC(=O)c1c2cnn(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2ccc1Br ZINC000790442648 1078033053 /nfs/dbraw/zinc/03/30/53/1078033053.db2.gz OGSNOJVGLNUHAF-BBRMVZONSA-N 1 0 421.339 2.959 20 0 HFADRO CC[NH+](CC)[C@@H]1CCN(Cn2ncc3c2ccc(Br)c3C(=O)OC)C1 ZINC000790445363 1078034240 /nfs/dbraw/zinc/03/42/40/1078034240.db2.gz ZKIKWLQGASOQJJ-CYBMUJFWSA-N 1 0 409.328 2.959 20 0 HFADRO COCC[N@H+](CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)[C@H]1CC[C@H](C)C1 ZINC000790480149 1078040726 /nfs/dbraw/zinc/04/07/26/1078040726.db2.gz QJZPCWIBKRABTJ-MRXVHASRSA-N 1 0 417.550 2.841 20 0 HFADRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000790486452 1078042506 /nfs/dbraw/zinc/04/25/06/1078042506.db2.gz OVZJZQYSGFIFNS-GJZGRUSLSA-N 1 0 408.490 2.598 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000790491673 1078043003 /nfs/dbraw/zinc/04/30/03/1078043003.db2.gz WZZATFSIAZXYOG-QGZVFWFLSA-N 1 0 407.946 2.518 20 0 HFADRO CCC[C@H](NC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C(N)=O ZINC000806252225 1079505075 /nfs/dbraw/zinc/50/50/75/1079505075.db2.gz RQJKFTYBUMHFFV-SFHVURJKSA-N 1 0 403.527 2.667 20 0 HFADRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](O)COc1cccc(F)c1)[NH+](C)C ZINC000806226677 1079509049 /nfs/dbraw/zinc/50/90/49/1079509049.db2.gz CLDOPTXUDFHJPK-MMOPVJDHSA-N 1 0 403.498 2.864 20 0 HFADRO CCN1CCN(C(=O)c2ccc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000806240654 1079517873 /nfs/dbraw/zinc/51/78/73/1079517873.db2.gz SNLYHVQREMGKJF-WCRBZPEASA-N 1 0 413.566 2.553 20 0 HFADRO COC(=O)N1CCC(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000806243721 1079520477 /nfs/dbraw/zinc/52/04/77/1079520477.db2.gz RNKYYOGEEYMXAJ-UHFFFAOYSA-N 1 0 420.579 2.878 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 ZINC000806262210 1079526973 /nfs/dbraw/zinc/52/69/73/1079526973.db2.gz ZFPNXIRASJYNQH-UHFFFAOYSA-N 1 0 412.962 2.997 20 0 HFADRO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000747312102 1079544953 /nfs/dbraw/zinc/54/49/53/1079544953.db2.gz QQZQXQPXHYAOOT-UHFFFAOYSA-N 1 0 418.950 2.881 20 0 HFADRO CCc1ccc([C@@H](O)CNC(=O)NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1 ZINC000806299461 1079551927 /nfs/dbraw/zinc/55/19/27/1079551927.db2.gz CLFYSJAOSQHTMJ-UXHICEINSA-N 1 0 415.534 2.902 20 0 HFADRO CC[N@H+](CCCNC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C1CCCCC1 ZINC001130584990 1079558317 /nfs/dbraw/zinc/55/83/17/1079558317.db2.gz AXSVELZSJYRWHX-UHFFFAOYSA-N 1 0 400.523 2.619 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000806307677 1079559580 /nfs/dbraw/zinc/55/95/80/1079559580.db2.gz SNSLTGZJVLRDBO-PKOBYXMFSA-N 1 0 418.538 2.752 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000806307346 1079560154 /nfs/dbraw/zinc/56/01/54/1079560154.db2.gz CEWSIOSAMSWHCU-QUCCMNQESA-N 1 0 420.554 2.950 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000806308943 1079561198 /nfs/dbraw/zinc/56/11/98/1079561198.db2.gz ZVSZHTTYNABYTG-PBHICJAKSA-N 1 0 405.392 2.565 20 0 HFADRO CCc1ccc([C@H](CNC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000806308574 1079562440 /nfs/dbraw/zinc/56/24/40/1079562440.db2.gz VVXQRUAFQROBRA-LPHOPBHVSA-N 1 0 415.456 2.989 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000806287499 1079572769 /nfs/dbraw/zinc/57/27/69/1079572769.db2.gz GAYLDXBUDZHQSP-YADHBBJMSA-N 1 0 409.530 2.601 20 0 HFADRO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806297873 1079585710 /nfs/dbraw/zinc/58/57/10/1079585710.db2.gz BBADRRQIIRRWOI-NQIIRXRSSA-N 1 0 423.561 2.691 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)C1 ZINC000806321835 1079592887 /nfs/dbraw/zinc/59/28/87/1079592887.db2.gz AVIHDTQBZUIZMW-PMACEKPBSA-N 1 0 424.586 2.576 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)C(C)(C)C ZINC000806321480 1079593624 /nfs/dbraw/zinc/59/36/24/1079593624.db2.gz VXIGPQVQMZJPHU-AABGKKOBSA-N 1 0 408.631 2.582 20 0 HFADRO CCCCC[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C(C)(C)C ZINC000806322490 1079594105 /nfs/dbraw/zinc/59/41/05/1079594105.db2.gz WZXXGMASMNKWAB-UXHICEINSA-N 1 0 408.631 2.726 20 0 HFADRO Cc1ccccc1[C@H](O)C1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000806323534 1079595760 /nfs/dbraw/zinc/59/57/60/1079595760.db2.gz UBIKODRHTHBCJQ-IFMALSPDSA-N 1 0 403.567 2.807 20 0 HFADRO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000747325556 1079598077 /nfs/dbraw/zinc/59/80/77/1079598077.db2.gz NBYZBFJHEGISPU-HUUCEWRRSA-N 1 0 411.531 2.598 20 0 HFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000806327744 1079599913 /nfs/dbraw/zinc/59/99/13/1079599913.db2.gz GHVUVEPWOPXJJH-ZFWWWQNUSA-N 1 0 401.429 2.753 20 0 HFADRO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000806375998 1079626054 /nfs/dbraw/zinc/62/60/54/1079626054.db2.gz WFJJTMJGMPXWFW-IBGZPJMESA-N 1 0 420.554 2.779 20 0 HFADRO CCc1ccc(N2CCN(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000806362919 1079650174 /nfs/dbraw/zinc/65/01/74/1079650174.db2.gz WYFQZZUBRFOCBE-UHFFFAOYSA-N 1 0 422.017 2.760 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000806372924 1079659893 /nfs/dbraw/zinc/65/98/93/1079659893.db2.gz YTPFWEJYIBQGCJ-HXUWFJFHSA-N 1 0 417.554 2.698 20 0 HFADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000806423746 1079668549 /nfs/dbraw/zinc/66/85/49/1079668549.db2.gz CZAXKPORRNPLHE-RTWAWAEBSA-N 1 0 411.933 2.704 20 0 HFADRO C[N@H+](CCCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)C1CCCCC1 ZINC000806399493 1079688016 /nfs/dbraw/zinc/68/80/16/1079688016.db2.gz PWDALNQMARBAGL-AZUAARDMSA-N 1 0 424.586 2.720 20 0 HFADRO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000806438180 1079706336 /nfs/dbraw/zinc/70/63/36/1079706336.db2.gz YMIYHIJAMFFKNA-KRWDZBQOSA-N 1 0 412.600 2.610 20 0 HFADRO CC1(C(=O)NCc2ccc(-c3nncnn3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001130635477 1079724670 /nfs/dbraw/zinc/72/46/70/1079724670.db2.gz BOMUOSHXKFPZFX-UHFFFAOYSA-N 1 0 402.502 2.852 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccnc1-2 ZINC000806490763 1079741878 /nfs/dbraw/zinc/74/18/78/1079741878.db2.gz LXLIWIYYMDCNCH-YZGWKJHDSA-N 1 0 404.518 2.764 20 0 HFADRO O=C(Cc1ccc(Cl)cc1Br)N1CC[NH+](C2CCOCC2)CC1 ZINC000747333182 1079742557 /nfs/dbraw/zinc/74/25/57/1079742557.db2.gz WQBAUGMFXWTGKY-UHFFFAOYSA-N 1 0 401.732 2.968 20 0 HFADRO CCOc1cc2c(cc1/C=C/C(=O)N1CC[NH+](C3CCOCC3)CC1)O[C@H](C)C2 ZINC000747331877 1079747484 /nfs/dbraw/zinc/74/74/84/1079747484.db2.gz BVFAGLFIQSYTTR-LAQIPUCWSA-N 1 0 400.519 2.745 20 0 HFADRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2cccnc2-n2ccnc2C)cc1 ZINC000806506523 1079757837 /nfs/dbraw/zinc/75/78/37/1079757837.db2.gz XHOSJVMGQZCMBB-FQEVSTJZSA-N 1 0 408.506 2.686 20 0 HFADRO CNS(=O)(=O)c1cc(NC(=O)NCCCCCCC[NH+]2CCCC2)ccc1F ZINC000806546095 1079785123 /nfs/dbraw/zinc/78/51/23/1079785123.db2.gz NMHCPOQPCVSNGJ-UHFFFAOYSA-N 1 0 414.547 2.902 20 0 HFADRO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000806593580 1079836632 /nfs/dbraw/zinc/83/66/32/1079836632.db2.gz KEZROKGUPYYXEO-QGZVFWFLSA-N 1 0 414.937 2.517 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000806653168 1079872188 /nfs/dbraw/zinc/87/21/88/1079872188.db2.gz WVJBFKMGRHOZOG-YKSBVNFPSA-N 1 0 422.573 2.842 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000806728189 1079952474 /nfs/dbraw/zinc/95/24/74/1079952474.db2.gz LHBRVACTWVBHHW-ICSRJNTNSA-N 1 0 415.578 2.643 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000806729331 1079952983 /nfs/dbraw/zinc/95/29/83/1079952983.db2.gz MHCKTXVUISFBDZ-GCJKJVERSA-N 1 0 423.557 2.557 20 0 HFADRO CC(=O)Nc1ccc(CC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733062 1079971508 /nfs/dbraw/zinc/97/15/08/1079971508.db2.gz IIRFNBQUPOGJMM-GOTSBHOMSA-N 1 0 407.514 2.689 20 0 HFADRO O=C(c1ccnc(OCC(F)F)c1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130733730 1079973812 /nfs/dbraw/zinc/97/38/12/1079973812.db2.gz XOHFBCQTULDIKB-RTBURBONSA-N 1 0 417.456 2.841 20 0 HFADRO COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC[C@H]2COC(=O)NC(C)C)CC1 ZINC000806759283 1079977420 /nfs/dbraw/zinc/97/74/20/1079977420.db2.gz WZCIKJOMMKIGKN-KRWDZBQOSA-N 1 0 412.575 2.575 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000806761261 1079979909 /nfs/dbraw/zinc/97/99/09/1079979909.db2.gz XUARKTHGLCASIR-PKOBYXMFSA-N 1 0 420.554 2.997 20 0 HFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000806770730 1079989563 /nfs/dbraw/zinc/98/95/63/1079989563.db2.gz YXNRISZXNJQNDD-XUVXKRRUSA-N 1 0 424.586 2.720 20 0 HFADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000806770731 1079989603 /nfs/dbraw/zinc/98/96/03/1079989603.db2.gz YXNRISZXNJQNDD-ZCNNSNEGSA-N 1 0 424.586 2.720 20 0 HFADRO C[NH+]1CCN(CCCOc2ccc(NC(=O)[C@]34CCO[C@H]3CCCC4)cc2)CC1 ZINC001130742172 1080005737 /nfs/dbraw/zinc/00/57/37/1080005737.db2.gz LPKREAAZTHHDML-JTHBVZDNSA-N 1 0 401.551 2.991 20 0 HFADRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806798266 1080016623 /nfs/dbraw/zinc/01/66/23/1080016623.db2.gz KNPCMSIXHGAYKA-UHFFFAOYSA-N 1 0 411.222 2.707 20 0 HFADRO COc1ccccc1O[C@H]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000806815098 1080027687 /nfs/dbraw/zinc/02/76/87/1080027687.db2.gz ZWZWWQHWVGXANY-PMACEKPBSA-N 1 0 417.550 2.891 20 0 HFADRO C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000806814888 1080028309 /nfs/dbraw/zinc/02/83/09/1080028309.db2.gz XKVVQJSCRVNJJU-APWZRJJASA-N 1 0 416.570 2.665 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)NC3CC[NH+](Cc4ccccn4)CC3)ccc2c1 ZINC000806849504 1080034027 /nfs/dbraw/zinc/03/40/27/1080034027.db2.gz DWJVZGFYAOSBGV-UHFFFAOYSA-N 1 0 418.497 2.963 20 0 HFADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000806834679 1080047211 /nfs/dbraw/zinc/04/72/11/1080047211.db2.gz FQADHEJMZUPWAQ-MOPGFXCFSA-N 1 0 418.582 2.641 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000806837127 1080049940 /nfs/dbraw/zinc/04/99/40/1080049940.db2.gz YLRFNDSHWYAHKE-UHFFFAOYSA-N 1 0 409.530 2.676 20 0 HFADRO C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1OCC(F)F)[NH+]1CCCCC1 ZINC000806857301 1080061289 /nfs/dbraw/zinc/06/12/89/1080061289.db2.gz PAAYYLLNNIHQTG-GFCCVEGCSA-N 1 0 403.857 2.913 20 0 HFADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c(F)cc1Br ZINC000806857193 1080061637 /nfs/dbraw/zinc/06/16/37/1080061637.db2.gz NRYPTZMRARLFKM-GFCCVEGCSA-N 1 0 400.292 2.826 20 0 HFADRO C[C@H](CNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000806865124 1080067176 /nfs/dbraw/zinc/06/71/76/1080067176.db2.gz PRGUFJSAOCQJCE-ZJSXRUAMSA-N 1 0 424.589 2.815 20 0 HFADRO COC(OC)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)o1 ZINC000806927412 1080095533 /nfs/dbraw/zinc/09/55/33/1080095533.db2.gz IXOIECGUAFPACC-KRWDZBQOSA-N 1 0 415.490 2.990 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000806928582 1080096295 /nfs/dbraw/zinc/09/62/95/1080096295.db2.gz VHXWNDDIUSHSDU-SXLOBPIMSA-N 1 0 402.539 2.960 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000806928580 1080096341 /nfs/dbraw/zinc/09/63/41/1080096341.db2.gz VHXWNDDIUSHSDU-IHPCNDPISA-N 1 0 402.539 2.960 20 0 HFADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1cnc(C2OCCO2)s1 ZINC000806892412 1080099049 /nfs/dbraw/zinc/09/90/49/1080099049.db2.gz JRSHJNRPYMDJLC-UHFFFAOYSA-N 1 0 421.494 2.601 20 0 HFADRO CC(C)(O)c1cccc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000806894491 1080100804 /nfs/dbraw/zinc/10/08/04/1080100804.db2.gz ALYRZCVIGUOYAK-UHFFFAOYSA-N 1 0 419.591 2.720 20 0 HFADRO CC(C)[NH+](CCCNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1)C(C)C ZINC000806897035 1080104345 /nfs/dbraw/zinc/10/43/45/1080104345.db2.gz NSCGCOUZUYWRLS-MOPGFXCFSA-N 1 0 412.575 2.575 20 0 HFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000806956252 1080121474 /nfs/dbraw/zinc/12/14/74/1080121474.db2.gz KXVVOJLPPWYSML-UTKZUKDTSA-N 1 0 412.575 2.576 20 0 HFADRO CCN(C)C(=O)c1cccc(NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000806934398 1080141831 /nfs/dbraw/zinc/14/18/31/1080141831.db2.gz VJWJWMSGQJUOJM-UHFFFAOYSA-N 1 0 414.550 2.630 20 0 HFADRO O=C(Nc1nc2c(s1)CSCC2)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806935528 1080142742 /nfs/dbraw/zinc/14/27/42/1080142742.db2.gz GLLPPSSDQKDPBK-UHFFFAOYSA-N 1 0 408.593 2.784 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806935357 1080143026 /nfs/dbraw/zinc/14/30/26/1080143026.db2.gz XIJGVYRBHDFNQJ-DYESRHJHSA-N 1 0 409.530 2.879 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(C(C)(C)O)c3)cc2)CC1 ZINC000806994108 1080173227 /nfs/dbraw/zinc/17/32/27/1080173227.db2.gz PYZGCDPSXHHTRG-UHFFFAOYSA-N 1 0 410.518 2.633 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000807050778 1080234125 /nfs/dbraw/zinc/23/41/25/1080234125.db2.gz BBOAZUHSXQAOIE-OJAHFUOMSA-N 1 0 403.592 2.661 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000807090552 1080270240 /nfs/dbraw/zinc/27/02/40/1080270240.db2.gz VCYHSUOMZBJUOH-QFIPXVFZSA-N 1 0 413.562 2.747 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000807113849 1080290628 /nfs/dbraw/zinc/29/06/28/1080290628.db2.gz IKECZIJJASANGP-YSIASYRMSA-N 1 0 402.539 2.817 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCc3ccccc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000807116926 1080292495 /nfs/dbraw/zinc/29/24/95/1080292495.db2.gz RALNIWRUOJIVOI-RLWLMLJZSA-N 1 0 419.569 2.936 20 0 HFADRO C[NH+](C)C[C@@H](NC(=O)NC1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1 ZINC000807123247 1080296066 /nfs/dbraw/zinc/29/60/66/1080296066.db2.gz HLZOLLNDPMKKQG-SNCIUUNGSA-N 1 0 400.498 2.953 20 0 HFADRO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000807148369 1080304702 /nfs/dbraw/zinc/30/47/02/1080304702.db2.gz CFACBMAFSBVIHO-HHXXYDBFSA-N 1 0 408.518 2.985 20 0 HFADRO CCOC(=O)N1CCC([C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000807149630 1080306944 /nfs/dbraw/zinc/30/69/44/1080306944.db2.gz FVHOGSOSOBWCJS-DNVCBOLYSA-N 1 0 408.518 2.985 20 0 HFADRO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000807164109 1080319965 /nfs/dbraw/zinc/31/99/65/1080319965.db2.gz WEDVYKVAQJKJEB-FQEVSTJZSA-N 1 0 404.555 2.989 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000807164063 1080320030 /nfs/dbraw/zinc/32/00/30/1080320030.db2.gz VNVBTQBIZVWCOP-FQEVSTJZSA-N 1 0 404.555 2.991 20 0 HFADRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@H](C)C1 ZINC000807173651 1080327866 /nfs/dbraw/zinc/32/78/66/1080327866.db2.gz ASUWECOHMZCGPQ-XUJVJEKNSA-N 1 0 402.322 2.914 20 0 HFADRO C[C@@H]1CN(C(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000807176808 1080330707 /nfs/dbraw/zinc/33/07/07/1080330707.db2.gz HWUACAKXFAJGSR-BUVFEPMLSA-N 1 0 418.969 2.708 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807189471 1080338324 /nfs/dbraw/zinc/33/83/24/1080338324.db2.gz VVWWQSQYHCMRQP-VQTJNVASSA-N 1 0 402.539 2.819 20 0 HFADRO CC(=O)NCC[C@@H]1CCCN(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000807202927 1080349673 /nfs/dbraw/zinc/34/96/73/1080349673.db2.gz IDPGNQLGGIELPO-GMAHTHKFSA-N 1 0 400.567 2.846 20 0 HFADRO CCNC(=O)C[C@H]1CCCCN1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807204145 1080350314 /nfs/dbraw/zinc/35/03/14/1080350314.db2.gz WIFDYNLKKVFLGW-NFBKMPQASA-N 1 0 400.567 2.989 20 0 HFADRO CCNC(=O)C[C@H]1CCCCN1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000807204147 1080350327 /nfs/dbraw/zinc/35/03/27/1080350327.db2.gz WIFDYNLKKVFLGW-OFNKIYASSA-N 1 0 400.567 2.989 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000747377389 1080404021 /nfs/dbraw/zinc/40/40/21/1080404021.db2.gz XNKKIRRWHWNBJK-KURKYZTESA-N 1 0 409.571 2.782 20 0 HFADRO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000807254898 1080412679 /nfs/dbraw/zinc/41/26/79/1080412679.db2.gz HNVFAIVCDRMPIU-SFHVURJKSA-N 1 0 418.538 2.580 20 0 HFADRO O=C(c1ccccc1CSC1=NCCS1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000747382689 1080422518 /nfs/dbraw/zinc/42/25/18/1080422518.db2.gz BFYCFSJSMLRCDT-ZWKOTPCHSA-N 1 0 405.589 2.694 20 0 HFADRO COCC1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268449 1080422679 /nfs/dbraw/zinc/42/26/79/1080422679.db2.gz PBGLNYTUDSPQOR-GOSISDBHSA-N 1 0 424.586 2.530 20 0 HFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001130895327 1080430863 /nfs/dbraw/zinc/43/08/63/1080430863.db2.gz MMMTXTPIUYIFLJ-AWEZNQCLSA-N 1 0 415.987 2.972 20 0 HFADRO CCc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000807296369 1080489460 /nfs/dbraw/zinc/48/94/60/1080489460.db2.gz YRLLIEKFHDRYGX-JOCHJYFZSA-N 1 0 409.530 2.676 20 0 HFADRO CCOC(=O)C1=C(Nc2nccc3c2OCC(=O)N3)CC[N@H+](Cc2ccccc2)C1 ZINC001170522005 1080492936 /nfs/dbraw/zinc/49/29/36/1080492936.db2.gz TUPXLJZOOPRPTL-UHFFFAOYSA-N 1 0 408.458 2.548 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)ccc2c1 ZINC000807307339 1080501823 /nfs/dbraw/zinc/50/18/23/1080501823.db2.gz ZSKUUKYUQIOVAM-UHFFFAOYSA-N 1 0 407.474 2.889 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)OC)c(F)c1)c1ccco1 ZINC000807310432 1080503569 /nfs/dbraw/zinc/50/35/69/1080503569.db2.gz IKWFPXWIARVGHN-MLGOLLRUSA-N 1 0 420.441 2.781 20 0 HFADRO CN(c1ccc(NC(=O)C(=O)NCC2(C(F)(F)F)CC2)cc1)C1CC[NH+](C)CC1 ZINC000807363596 1080525565 /nfs/dbraw/zinc/52/55/65/1080525565.db2.gz MVPGXDOYFARJMA-UHFFFAOYSA-N 1 0 412.456 2.614 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000807352770 1080559638 /nfs/dbraw/zinc/55/96/38/1080559638.db2.gz BQRWVQDDKUTBHU-HOCLYGCPSA-N 1 0 406.477 2.589 20 0 HFADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000807394366 1080560575 /nfs/dbraw/zinc/56/05/75/1080560575.db2.gz KONQXRIBQKACTQ-INIZCTEOSA-N 1 0 408.493 2.884 20 0 HFADRO Cc1ccc(NC(=O)C(=O)Nc2ccc(F)c([C@H](C)O)c2)c(OCC[NH+](C)C)c1 ZINC000807395694 1080561734 /nfs/dbraw/zinc/56/17/34/1080561734.db2.gz FVZNXWULNKIXEN-AWEZNQCLSA-N 1 0 403.454 2.705 20 0 HFADRO C[C@H](CNC(=O)c1ccccc1CSC1=NCCS1)C[NH+]1CCN(C)CC1 ZINC000747394615 1080570085 /nfs/dbraw/zinc/57/00/85/1080570085.db2.gz VGYKMBYSUPBXQO-MRXNPFEDSA-N 1 0 406.621 2.636 20 0 HFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]CCNC(=O)CN(Cc2ccccc2)c2ccccc2)C1 ZINC001170523202 1080573455 /nfs/dbraw/zinc/57/34/55/1080573455.db2.gz AXMDVQHCSJAZKL-RTWAWAEBSA-N 1 0 409.530 2.741 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000807400829 1080596575 /nfs/dbraw/zinc/59/65/75/1080596575.db2.gz FOAHBJIIJADXMV-SIIHOXLZSA-N 1 0 401.429 2.815 20 0 HFADRO COc1ccc(OC)c2c1CN(C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)C[C@@H]2O ZINC000807402673 1080598140 /nfs/dbraw/zinc/59/81/40/1080598140.db2.gz KQUCMRSTCCSFNA-FXCLAUTBSA-N 1 0 413.518 2.954 20 0 HFADRO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000807453879 1080634169 /nfs/dbraw/zinc/63/41/69/1080634169.db2.gz PCFNKRSSBPJMOS-KXBFYZLASA-N 1 0 401.507 2.620 20 0 HFADRO Cc1c(C(=O)N(C)CCCC[NH+](C)C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747399093 1080653271 /nfs/dbraw/zinc/65/32/71/1080653271.db2.gz MLLBVBXPEPRBEC-UHFFFAOYSA-N 1 0 422.574 2.572 20 0 HFADRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccco1 ZINC000807442967 1080663460 /nfs/dbraw/zinc/66/34/60/1080663460.db2.gz UTQGLXCPNKXOLB-MELADBBJSA-N 1 0 404.433 2.513 20 0 HFADRO C[C@H]1CCN(C(=O)C(=O)NCC[C@](C)(O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000807496493 1080692627 /nfs/dbraw/zinc/69/26/27/1080692627.db2.gz KTLVFBUWEFVYIF-CPJSRVTESA-N 1 0 423.557 2.523 20 0 HFADRO CCN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807502144 1080699973 /nfs/dbraw/zinc/69/99/73/1080699973.db2.gz ZEGATIFBBOVFON-DHLKQENFSA-N 1 0 423.557 2.523 20 0 HFADRO COCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC000807509108 1080712725 /nfs/dbraw/zinc/71/27/25/1080712725.db2.gz CWFFQVOWEOGMQU-OAQYLSRUSA-N 1 0 413.518 2.978 20 0 HFADRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC000807513472 1080720371 /nfs/dbraw/zinc/72/03/71/1080720371.db2.gz CHZAJJJDCAYGSF-JPYJTQIMSA-N 1 0 412.534 2.792 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)C3CCC(F)(F)CC3)cc2)CC1 ZINC000807534683 1080749673 /nfs/dbraw/zinc/74/96/73/1080749673.db2.gz WISJLXXDXFFZOQ-UHFFFAOYSA-N 1 0 408.493 2.803 20 0 HFADRO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000807543305 1080758170 /nfs/dbraw/zinc/75/81/70/1080758170.db2.gz FINOVWVNOVGCGZ-DZGCQCFKSA-N 1 0 406.408 2.818 20 0 HFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000807547092 1080763462 /nfs/dbraw/zinc/76/34/62/1080763462.db2.gz XBNNWQBTNHFTAA-IPHXSNPTSA-N 1 0 411.933 2.560 20 0 HFADRO COC[C@@]1(CNC(=O)N(C)CCC[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000807551326 1080766840 /nfs/dbraw/zinc/76/68/40/1080766840.db2.gz RMOQUAOTUGMQLR-NRFANRHFSA-N 1 0 412.575 2.530 20 0 HFADRO COC[C@]1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000807550594 1080767760 /nfs/dbraw/zinc/76/77/60/1080767760.db2.gz IHJIWWUPEFBBMS-LLGFUMIMSA-N 1 0 412.575 2.527 20 0 HFADRO C[NH+](C)CC1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCCSC3)cc2)CC1 ZINC000807519863 1080773004 /nfs/dbraw/zinc/77/30/04/1080773004.db2.gz RYWSGPUAPVKMBN-SFHVURJKSA-N 1 0 418.607 2.663 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)CC(F)(F)Br)cc1 ZINC000807528893 1080781982 /nfs/dbraw/zinc/78/19/82/1080781982.db2.gz RZSLPPSEYZVBAP-UHFFFAOYSA-N 1 0 406.271 2.913 20 0 HFADRO CN(OCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000807582526 1080793509 /nfs/dbraw/zinc/79/35/09/1080793509.db2.gz ORIFYPLNVACHLS-IEBWSBKVSA-N 1 0 401.532 2.837 20 0 HFADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCc2cc(C)cc(Cl)n2)c1 ZINC000807557450 1080807856 /nfs/dbraw/zinc/80/78/56/1080807856.db2.gz BJCKLQYVQCKGIL-UHFFFAOYSA-N 1 0 402.926 2.558 20 0 HFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC001308378741 1126165518 /nfs/dbraw/zinc/16/55/18/1126165518.db2.gz ODWLWXZUVILPOF-KBXCAEBGSA-N 1 0 421.335 2.656 20 0 HFADRO OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1c(F)ccc(I)c1F ZINC001462082026 1126197093 /nfs/dbraw/zinc/19/70/93/1126197093.db2.gz CHEKYGXYROPKLR-LLVKDONJSA-N 1 0 419.209 2.968 20 0 HFADRO COC(=O)c1ccc2c(=O)[nH]c(C[NH2+][C@@](C)(CO)Cc3ccc(Cl)cc3)nc2c1 ZINC001560182109 1126208370 /nfs/dbraw/zinc/20/83/70/1126208370.db2.gz AHZORHDTIGWHIU-OAQYLSRUSA-N 1 0 415.877 2.859 20 0 HFADRO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC001560615615 1126213789 /nfs/dbraw/zinc/21/37/89/1126213789.db2.gz WFZXOUSZZOETIO-OEPMTFCVSA-N 1 0 419.319 2.710 20 0 HFADRO COc1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@H]3C2)c(Cl)nn1 ZINC001164391861 718825989 /nfs/dbraw/zinc/82/59/89/718825989.db2.gz XRPBZEZDPRCGKR-PBHICJAKSA-N 1 0 410.852 2.918 20 0 HFADRO Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCN3CC[NH2+]C[C@H]3C2)n1 ZINC001164398325 718834372 /nfs/dbraw/zinc/83/43/72/718834372.db2.gz DBHDZCWIMHJSOS-IBGZPJMESA-N 1 0 406.921 2.953 20 0 HFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CC(F)(F)[C@@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164406901 718870138 /nfs/dbraw/zinc/87/01/38/718870138.db2.gz HTVWLGQATHEFFB-HLLBOEOZSA-N 1 0 422.520 2.972 20 0 HFADRO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415651 718885580 /nfs/dbraw/zinc/88/55/80/718885580.db2.gz MQAJHZNRUYULNB-UHFFFAOYSA-N 1 0 405.236 2.504 20 0 HFADRO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425357 718917854 /nfs/dbraw/zinc/91/78/54/718917854.db2.gz SBXZAXFERDYBMI-IBGZPJMESA-N 1 0 424.879 2.927 20 0 HFADRO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425863 718918195 /nfs/dbraw/zinc/91/81/95/718918195.db2.gz WAXBVRWXUXFRSA-UXHICEINSA-N 1 0 422.888 2.510 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2[NH2+]Cc3ccccc3[C@@H]2C1 ZINC001164425264 718939611 /nfs/dbraw/zinc/93/96/11/718939611.db2.gz VHOBIJPDZUJJNN-GJZGRUSLSA-N 1 0 408.836 2.927 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4nc(Cl)ccc43)CC2)CC1 ZINC001164613758 719022839 /nfs/dbraw/zinc/02/28/39/719022839.db2.gz CFIDSRIQHMPBDQ-UHFFFAOYSA-N 1 0 403.914 2.922 20 0 HFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(Cl)c(C(=O)OC)n3)CC2)CC1 ZINC001164614763 719025855 /nfs/dbraw/zinc/02/58/55/719025855.db2.gz YBLPVVRPERJPCT-UHFFFAOYSA-N 1 0 409.914 2.766 20 0 HFADRO CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164626950 719052444 /nfs/dbraw/zinc/05/24/44/719052444.db2.gz SJYVWJFCLPDACA-HZPDHXFCSA-N 1 0 406.939 2.634 20 0 HFADRO CCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(N2CCOCC2)n1 ZINC001164627354 719087602 /nfs/dbraw/zinc/08/76/02/719087602.db2.gz JWMYVLMFORBUAT-UNMCSNQZSA-N 1 0 407.562 2.976 20 0 HFADRO O=C1CCC(=O)N1Cc1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164628063 719087768 /nfs/dbraw/zinc/08/77/68/719087768.db2.gz LXSFOKQQBXDTOT-LEWJYISDSA-N 1 0 404.514 2.831 20 0 HFADRO CC(C)NS(=O)(=O)c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164627918 719097203 /nfs/dbraw/zinc/09/72/03/719097203.db2.gz LEHKDDITCCAOKN-PZJWPPBQSA-N 1 0 414.575 2.869 20 0 HFADRO [NH3+]C1([C@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)C[C@@H]2CF)CC1 ZINC001164630450 719118152 /nfs/dbraw/zinc/11/81/52/719118152.db2.gz WRMASSLLRWSFOH-AAEUAGOBSA-N 1 0 418.847 2.755 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H]4[C@@H](OCC5CCCC5)CC[C@@H]43)n2)CC1 ZINC001164659671 719343427 /nfs/dbraw/zinc/34/34/27/719343427.db2.gz DOUAURUSOLYAMJ-JTAQYXEDSA-N 1 0 400.567 2.776 20 0 HFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)C[C@H]21 ZINC001164665760 719484373 /nfs/dbraw/zinc/48/43/73/719484373.db2.gz BHADVBLSQYSDJZ-SJORKVTESA-N 1 0 408.893 2.773 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)nc1 ZINC001164692423 719801433 /nfs/dbraw/zinc/80/14/33/719801433.db2.gz OHKDXAITPLZRTE-NJYVYQBISA-N 1 0 408.550 2.903 20 0 HFADRO NC(=S)Nc1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164705339 719899944 /nfs/dbraw/zinc/89/99/44/719899944.db2.gz AGCMDUIHGMBEIS-UHFFFAOYSA-N 1 0 403.577 2.670 20 0 HFADRO Cc1noc([C@]23COC[C@H]2CN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164807746 720055931 /nfs/dbraw/zinc/05/59/31/720055931.db2.gz WRURMDWTGFKGBY-HYBUGGRVSA-N 1 0 417.513 2.736 20 0 HFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(C(=O)OC)ccc31)C2 ZINC001164806332 720082645 /nfs/dbraw/zinc/08/26/45/720082645.db2.gz BNWTWCYKRZUHBS-MBSDFSHPSA-N 1 0 410.518 2.601 20 0 HFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cccnc31)CC2 ZINC001164712036 720101420 /nfs/dbraw/zinc/10/14/20/720101420.db2.gz ULNCQFNMCVWOLD-IBGZPJMESA-N 1 0 404.518 2.927 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1OCC ZINC001164813927 720113923 /nfs/dbraw/zinc/11/39/23/720113923.db2.gz RRNXKOGYRBODPO-MBSDFSHPSA-N 1 0 417.550 2.842 20 0 HFADRO CCOC(=O)c1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2c1 ZINC001164815397 720116279 /nfs/dbraw/zinc/11/62/79/720116279.db2.gz VENAHILOLFWRBF-CYFREDJKSA-N 1 0 424.545 2.991 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)NC(C)(C)C)cn1)C2 ZINC001164810050 720117265 /nfs/dbraw/zinc/11/72/65/720117265.db2.gz JIHCVVRZMUAMKH-XXBNENTESA-N 1 0 400.567 2.795 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3c1nc(C)n3C)C2 ZINC001164819435 720160413 /nfs/dbraw/zinc/16/04/13/720160413.db2.gz XBBPTUAKNKDTFL-QRWLVFNGSA-N 1 0 404.946 2.510 20 0 HFADRO Cn1nnc2c1CCN([C@@H](F)c1ccnc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715389 720182024 /nfs/dbraw/zinc/18/20/24/720182024.db2.gz ALHZBYQEGKJDQG-VQIMIIECSA-N 1 0 408.909 2.543 20 0 HFADRO Cn1nnc2c1CCN(c1ccc3ccc(F)cc3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718290 720197913 /nfs/dbraw/zinc/19/79/13/720197913.db2.gz ZHRZNKPDSZXDKK-FQEVSTJZSA-N 1 0 410.497 2.719 20 0 HFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001164815457 720201866 /nfs/dbraw/zinc/20/18/66/720201866.db2.gz ZPWFJMODFSQJJP-AEFFLSMTSA-N 1 0 401.885 2.703 20 0 HFADRO CCOc1ccc(Cl)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812090 720226755 /nfs/dbraw/zinc/22/67/55/720226755.db2.gz CZFODSVFLPFIKM-UHFFFAOYSA-N 1 0 405.930 2.941 20 0 HFADRO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1NC(C)C ZINC001164820877 720284815 /nfs/dbraw/zinc/28/48/15/720284815.db2.gz YKVLYFHBCBSRRO-RBUKOAKNSA-N 1 0 400.571 2.517 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3[nH]ccc32)CC1 ZINC001164817295 720287202 /nfs/dbraw/zinc/28/72/02/720287202.db2.gz CFDFRZAJJHSIPD-CVEARBPZSA-N 1 0 402.930 2.523 20 0 HFADRO CSc1nc(Cl)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824497 720289924 /nfs/dbraw/zinc/28/99/24/720289924.db2.gz RFXOTULUGAFMSE-CABCVRRESA-N 1 0 409.987 2.763 20 0 HFADRO CSc1ncc(Cl)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820553 720301200 /nfs/dbraw/zinc/30/12/00/720301200.db2.gz HLBXYDSSZCLQCA-CVEARBPZSA-N 1 0 409.987 2.763 20 0 HFADRO COc1cccc2c1ncnc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825324 720303752 /nfs/dbraw/zinc/30/37/52/720303752.db2.gz TUWKFMLGQNDTHT-OALUTQOASA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3cccnc32)CC1 ZINC001164821341 720304141 /nfs/dbraw/zinc/30/41/41/720304141.db2.gz KAQBZGLZLXMAJN-IAGOWNOFSA-N 1 0 414.941 2.590 20 0 HFADRO COc1ccc2ncnc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164826770 720304533 /nfs/dbraw/zinc/30/45/33/720304533.db2.gz WKEMHZKEJWOLBJ-SFTDATJTSA-N 1 0 409.534 2.550 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3cnccc32)CC1 ZINC001164819177 720309555 /nfs/dbraw/zinc/30/95/55/720309555.db2.gz CQLQFSNOKZVOEF-ZWKOTPCHSA-N 1 0 414.941 2.590 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nnc(Cl)c3c2CCCC3)CC1 ZINC001164821670 720314306 /nfs/dbraw/zinc/31/43/06/720314306.db2.gz LXCNROJBYZGNDG-OALUTQOASA-N 1 0 417.985 2.920 20 0 HFADRO COc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccccc21 ZINC001164823250 720324494 /nfs/dbraw/zinc/32/44/94/720324494.db2.gz ACYKYFXLQSPBEY-VQTJNVASSA-N 1 0 409.534 2.550 20 0 HFADRO COC(OC)c1cc(C)cnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826217 720331914 /nfs/dbraw/zinc/33/19/14/720331914.db2.gz FTHOSZCZXJFQFK-PMACEKPBSA-N 1 0 416.566 2.593 20 0 HFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc(-c3cccc(F)c3)n2)CC1 ZINC001164825987 720343129 /nfs/dbraw/zinc/34/31/29/720343129.db2.gz KBPGGHKGGLZDHS-UXHICEINSA-N 1 0 424.524 2.589 20 0 HFADRO Cc1nc(-c2ccncc2)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823481 720344382 /nfs/dbraw/zinc/34/43/82/720344382.db2.gz GIVLXILAFOKCSC-YADHBBJMSA-N 1 0 420.561 2.759 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827893 720351108 /nfs/dbraw/zinc/35/11/08/720351108.db2.gz NASZRYCHPDJQJS-VQTJNVASSA-N 1 0 414.550 2.558 20 0 HFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C(=O)N3CCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840615 720507045 /nfs/dbraw/zinc/50/70/45/720507045.db2.gz WWOPXMGMPDEXAU-JAXLGGSGSA-N 1 0 422.577 2.892 20 0 HFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)nc(Oc3ccc(F)cc3)n2)C1 ZINC001164730009 720518643 /nfs/dbraw/zinc/51/86/43/720518643.db2.gz PPQCFXVHMXTRRB-ZDUSSCGKSA-N 1 0 417.876 2.851 20 0 HFADRO COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841461 720545295 /nfs/dbraw/zinc/54/52/95/720545295.db2.gz VYKRDUSTAPSBJK-SQGPQFPESA-N 1 0 415.513 2.890 20 0 HFADRO CCOC(=O)c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1 ZINC001164729661 720567375 /nfs/dbraw/zinc/56/73/75/720567375.db2.gz SHRXPFWRIMDSTQ-UHFFFAOYSA-N 1 0 403.914 2.767 20 0 HFADRO COC(=O)c1cccc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc21 ZINC001164736744 720588224 /nfs/dbraw/zinc/58/82/24/720588224.db2.gz SKDFLFIRVUUDTB-UHFFFAOYSA-N 1 0 405.502 2.876 20 0 HFADRO c1nc2n(c1C[NH+]1CCCC1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164736291 720589657 /nfs/dbraw/zinc/58/96/57/720589657.db2.gz HDGMPGMKCXQZLT-UHFFFAOYSA-N 1 0 415.545 2.882 20 0 HFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C(N)=O)cc4ccccc43)CC[C@@H]21 ZINC001164842216 720616407 /nfs/dbraw/zinc/61/64/07/720616407.db2.gz UQFOKAWQCCKYCH-IPJJNNNSSA-N 1 0 418.545 2.908 20 0 HFADRO CSc1nc2sccc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740849 720630618 /nfs/dbraw/zinc/63/06/18/720630618.db2.gz JLBZXRNZNMAZCP-STQMWFEESA-N 1 0 400.533 2.545 20 0 HFADRO Fc1cc2nc(Cl)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2cc1F ZINC001164737769 720675351 /nfs/dbraw/zinc/67/53/51/720675351.db2.gz GWOLGSYQEWKKBH-RYUDHWBXSA-N 1 0 418.835 2.693 20 0 HFADRO COc1nc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164837595 720676261 /nfs/dbraw/zinc/67/62/61/720676261.db2.gz DGDLXQPZNJBLJA-MRXNPFEDSA-N 1 0 403.914 2.794 20 0 HFADRO Fc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736789 720682837 /nfs/dbraw/zinc/68/28/37/720682837.db2.gz BGFATUYBOORDRX-STQMWFEESA-N 1 0 400.845 2.554 20 0 HFADRO Fc1cccc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736783 720682908 /nfs/dbraw/zinc/68/29/08/720682908.db2.gz BGFATUYBOORDRX-CHWSQXEVSA-N 1 0 400.845 2.554 20 0 HFADRO NC(=O)c1ccc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1Cl ZINC001164838100 720737038 /nfs/dbraw/zinc/73/70/38/720737038.db2.gz RUFPWXVRVUYYHP-UHFFFAOYSA-N 1 0 424.883 2.628 20 0 HFADRO Fc1cccc(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164743396 720742745 /nfs/dbraw/zinc/74/27/45/720742745.db2.gz PUVJDUXGSVDJIL-WMZOPIPTSA-N 1 0 408.437 2.540 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@H]43)n2)CC1 ZINC001164843993 720775362 /nfs/dbraw/zinc/77/53/62/720775362.db2.gz BGCASWAIJZLIAV-BDTNDASRSA-N 1 0 423.561 2.572 20 0 HFADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@H]43)n2)CC1 ZINC001164844001 720775966 /nfs/dbraw/zinc/77/59/66/720775966.db2.gz BGCASWAIJZLIAV-VSKRKVRLSA-N 1 0 423.561 2.572 20 0 HFADRO Cc1cccc(CN2CC[C@@]3(CCN(c4cccc(N5CC[NH+](C)CC5)n4)C3)C2=O)c1 ZINC001164848047 720807924 /nfs/dbraw/zinc/80/79/24/720807924.db2.gz BQAHRPWHZWPWGL-VWLOTQADSA-N 1 0 419.573 2.771 20 0 HFADRO Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C ZINC001164745965 720808965 /nfs/dbraw/zinc/80/89/65/720808965.db2.gz LASKTHTUQCBCJA-FGTMMUONSA-N 1 0 401.946 2.718 20 0 HFADRO Cc1nc2ccsc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164750061 720809514 /nfs/dbraw/zinc/80/95/14/720809514.db2.gz VBZCJCANBGSZOO-ZIFCJYIRSA-N 1 0 409.563 2.971 20 0 HFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c1 ZINC001164738147 720820713 /nfs/dbraw/zinc/82/07/13/720820713.db2.gz DUBKTSAVQMNNGB-QHAWAJNXSA-N 1 0 424.549 2.538 20 0 HFADRO CSc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745114 720828292 /nfs/dbraw/zinc/82/82/92/720828292.db2.gz WJYIZRZOWIPBED-ARFHVFGLSA-N 1 0 419.986 2.823 20 0 HFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737667 720828838 /nfs/dbraw/zinc/82/88/38/720828838.db2.gz BLYKSKQJKSHMRO-VIPLHTEESA-N 1 0 420.920 2.833 20 0 HFADRO F[C@H](Oc1cccc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164737668 720829140 /nfs/dbraw/zinc/82/91/40/720829140.db2.gz BLYKSKQJKSHMRO-XLSPSMHOSA-N 1 0 420.920 2.833 20 0 HFADRO COc1ccc2ncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1 ZINC001164746148 720829412 /nfs/dbraw/zinc/82/94/12/720829412.db2.gz YBPSVZLAKCRMBG-JBYIUTFZSA-N 1 0 419.533 2.609 20 0 HFADRO Fc1ccc2cnnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164751895 720832280 /nfs/dbraw/zinc/83/22/80/720832280.db2.gz ZMJMBDZLGBXYGD-FBBABVLZSA-N 1 0 407.497 2.740 20 0 HFADRO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccnc(-c5cccnc5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164739953 720834206 /nfs/dbraw/zinc/83/42/06/720834206.db2.gz BCVIBRPHOGUNND-QHAWAJNXSA-N 1 0 416.533 2.510 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC[C@H]2C1 ZINC001164849797 720837501 /nfs/dbraw/zinc/83/75/01/720837501.db2.gz DEPZTJUEYRSYEZ-RYUDHWBXSA-N 1 0 411.280 2.502 20 0 HFADRO Clc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c2n1 ZINC001164750326 720841665 /nfs/dbraw/zinc/84/16/65/720841665.db2.gz XGGMRIXAPQBMKO-YQQAZPJKSA-N 1 0 412.929 2.582 20 0 HFADRO CSc1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740437 720843747 /nfs/dbraw/zinc/84/37/47/720843747.db2.gz BSKJUYXIIKQNOE-HRCADAONSA-N 1 0 419.986 2.823 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4cc(F)c(F)cc4nc3Cl)CC[C@@H]2C1 ZINC001164850953 720849590 /nfs/dbraw/zinc/84/95/90/720849590.db2.gz FWIJHAKSUFHGHY-PXAZEXFGSA-N 1 0 412.868 2.735 20 0 HFADRO CC(C)OC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747178 720856575 /nfs/dbraw/zinc/85/65/75/720856575.db2.gz IAUHRGKEOTWVGM-SVFBPWRDSA-N 1 0 424.549 2.618 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@@H]2C1 ZINC001164858204 720860158 /nfs/dbraw/zinc/86/01/58/720860158.db2.gz RQBOFLPMKHNEAQ-IFMALSPDSA-N 1 0 421.545 2.653 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)CC[C@H]2C1 ZINC001164855473 720860943 /nfs/dbraw/zinc/86/09/43/720860943.db2.gz MWMWDWKFOKBZRV-PKOBYXMFSA-N 1 0 408.974 2.504 20 0 HFADRO COc1nccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747992 720869083 /nfs/dbraw/zinc/86/90/83/720869083.db2.gz DBRMCJXILQBGEK-OFNKIYASSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c(Cl)nccc43)CC[C@@H]2C1 ZINC001164859989 720872974 /nfs/dbraw/zinc/87/29/74/720872974.db2.gz NUDLUBPMYQQOQG-TZMCWYRMSA-N 1 0 412.321 2.505 20 0 HFADRO COc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752206 720873444 /nfs/dbraw/zinc/87/34/44/720873444.db2.gz MACFQAODVGTOEK-REWPJTCUSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@H]2C1 ZINC001164861274 720874339 /nfs/dbraw/zinc/87/43/39/720874339.db2.gz PLCXCEILPIRTDY-SIKLNZKXSA-N 1 0 419.529 2.865 20 0 HFADRO COc1cncnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749958 720880774 /nfs/dbraw/zinc/88/07/74/720880774.db2.gz IEHWEPJXVULDCA-REWPJTCUSA-N 1 0 409.534 2.635 20 0 HFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@H]2C1 ZINC001164860452 720881132 /nfs/dbraw/zinc/88/11/32/720881132.db2.gz ONSXUNMIEFICFJ-ZWKOTPCHSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc(Cl)nc3-c3ccccc3)CC[C@@H]2C1 ZINC001164860438 720881182 /nfs/dbraw/zinc/88/11/82/720881182.db2.gz ONSXUNMIEFICFJ-MSOLQXFVSA-N 1 0 402.926 2.971 20 0 HFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4c(F)cccc4F)nn3)CC[C@@H]2C1 ZINC001164857623 720881284 /nfs/dbraw/zinc/88/12/84/720881284.db2.gz KCDNWITWBTVRLY-BEFAXECRSA-N 1 0 404.461 2.595 20 0 HFADRO Cc1nnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C ZINC001164753116 720930436 /nfs/dbraw/zinc/93/04/36/720930436.db2.gz PWDXVZKNRIESJZ-GMAHTHKFSA-N 1 0 408.550 2.639 20 0 HFADRO CC(C)c1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc(C(C)(C)C)n1 ZINC001164754797 720966144 /nfs/dbraw/zinc/96/61/44/720966144.db2.gz YFZRRQGVVBNUTA-UHFFFAOYSA-N 1 0 414.554 2.740 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)nc1 ZINC001164758295 721000571 /nfs/dbraw/zinc/00/05/71/721000571.db2.gz UWIPCZPGIMVKPH-PLACYPQZSA-N 1 0 415.582 2.741 20 0 HFADRO O=C(c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CCCCC1 ZINC001164869507 721049829 /nfs/dbraw/zinc/04/98/29/721049829.db2.gz TZZALWXPSYPRFP-LEWJYISDSA-N 1 0 421.545 2.582 20 0 HFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867692 721056733 /nfs/dbraw/zinc/05/67/33/721056733.db2.gz JRMWYWQPXGLQJV-WOJBJXKFSA-N 1 0 410.518 2.912 20 0 HFADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164865871 721061675 /nfs/dbraw/zinc/06/16/75/721061675.db2.gz BCWTZVORSFUOQS-MSOLQXFVSA-N 1 0 421.501 2.522 20 0 HFADRO Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CSC2 ZINC001164866241 721070196 /nfs/dbraw/zinc/07/01/96/721070196.db2.gz DALFYFWIGOTQKY-CABCVRRESA-N 1 0 403.939 2.752 20 0 HFADRO COc1cc2ncc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2cc1OC ZINC001164867375 721082096 /nfs/dbraw/zinc/08/20/96/721082096.db2.gz YEXIVFMABDLYHR-ZWKOTPCHSA-N 1 0 421.501 2.522 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4C(=O)NC4CCCCC4)C[C@H]3C2)cn1 ZINC001164761070 721082797 /nfs/dbraw/zinc/08/27/97/721082797.db2.gz AOILROVWJLRRHZ-VQTJNVASSA-N 1 0 422.577 2.836 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5c4COC5(C)C)C[C@@H]3C2)cn1 ZINC001164768368 721102427 /nfs/dbraw/zinc/10/24/27/721102427.db2.gz NAPUBYFOEYHQNP-GJZGRUSLSA-N 1 0 402.930 2.587 20 0 HFADRO Nc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866007 721102719 /nfs/dbraw/zinc/10/27/19/721102719.db2.gz RADXAHJNYAUUOS-HOTGVXAUSA-N 1 0 409.868 2.737 20 0 HFADRO CCOC(=O)/C=C/c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865315 721111715 /nfs/dbraw/zinc/11/17/15/721111715.db2.gz JUWLWMSNFHZUPF-KSFASEQNSA-N 1 0 408.502 2.533 20 0 HFADRO COC(=O)c1ccc2ccnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164764822 721114096 /nfs/dbraw/zinc/11/40/96/721114096.db2.gz IBXVCDASRWVIQM-VQTJNVASSA-N 1 0 405.502 2.713 20 0 HFADRO CSc1nc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164863337 721115618 /nfs/dbraw/zinc/11/56/18/721115618.db2.gz BZHHWAQQQIXZSI-CABCVRRESA-N 1 0 414.560 2.683 20 0 HFADRO CSc1nc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164863339 721116177 /nfs/dbraw/zinc/11/61/77/721116177.db2.gz BZHHWAQQQIXZSI-GJZGRUSLSA-N 1 0 414.560 2.683 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nccc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164767327 721129767 /nfs/dbraw/zinc/12/97/67/721129767.db2.gz MUGBWITZOWFZDB-LEWJYISDSA-N 1 0 404.518 2.747 20 0 HFADRO COC(=O)c1ccc2cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164871107 721134292 /nfs/dbraw/zinc/13/42/92/721134292.db2.gz DRHYUMSDOHWOBO-VXKWHMMOSA-N 1 0 418.497 2.896 20 0 HFADRO COc1cccc2nc(Cl)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c21 ZINC001164761660 721147232 /nfs/dbraw/zinc/14/72/32/721147232.db2.gz ACUAETIEKLXFAS-HOTGVXAUSA-N 1 0 412.925 2.984 20 0 HFADRO COc1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1Cl ZINC001164773720 721151760 /nfs/dbraw/zinc/15/17/60/721151760.db2.gz YUXFDCKEWWSVSA-CABCVRRESA-N 1 0 411.884 2.980 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(OCc5ccccc5)cnn4)C[C@@H]3C2)cn1 ZINC001164772741 721154441 /nfs/dbraw/zinc/15/44/41/721154441.db2.gz VUWZKHWESJMAPM-SFTDATJTSA-N 1 0 404.518 2.747 20 0 HFADRO COc1cc2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2cc1OC ZINC001164763453 721156045 /nfs/dbraw/zinc/15/60/45/721156045.db2.gz GBQPUVBUEDHUGR-OALUTQOASA-N 1 0 407.518 2.944 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@H]3C2)cn1 ZINC001164766009 721178550 /nfs/dbraw/zinc/17/85/50/721178550.db2.gz IUKGPASBKWWIQU-QWHCGFSZSA-N 1 0 414.913 2.655 20 0 HFADRO COc1ccc(-c2ccc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1 ZINC001164762000 721194023 /nfs/dbraw/zinc/19/40/23/721194023.db2.gz BQMJJUMUGOMARE-VQTJNVASSA-N 1 0 404.518 2.844 20 0 HFADRO COc1cccc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c1 ZINC001164770855 721202309 /nfs/dbraw/zinc/20/23/09/721202309.db2.gz OXKNBECRBASROB-UXHICEINSA-N 1 0 404.518 2.844 20 0 HFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@@H]3C2)cn1 ZINC001164764277 721206290 /nfs/dbraw/zinc/20/62/90/721206290.db2.gz GZUNHKRVABYRLR-CABCVRRESA-N 1 0 422.911 2.855 20 0 HFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CC[C@]2(C1)C[C@@H](NC(=O)c1cnccn1)CCO2 ZINC001164870749 721217286 /nfs/dbraw/zinc/21/72/86/721217286.db2.gz HNSJMAIKESICEZ-HRAATJIYSA-N 1 0 415.925 2.814 20 0 HFADRO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C ZINC001164774445 721219484 /nfs/dbraw/zinc/21/94/84/721219484.db2.gz ZKIOKTLLPMFHAF-PMACEKPBSA-N 1 0 403.534 2.847 20 0 HFADRO Cc1nc(-c2ccccn2)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C ZINC001164774448 721223140 /nfs/dbraw/zinc/22/31/40/721223140.db2.gz ZKIOKTLLPMFHAF-UXHICEINSA-N 1 0 403.534 2.847 20 0 HFADRO CCCSc1ncnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1OC ZINC001164760286 721242102 /nfs/dbraw/zinc/24/21/02/721242102.db2.gz DGBCEXYFPIUMFN-IAGOWNOFSA-N 1 0 402.568 2.679 20 0 HFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4cccc(Cl)c4n3)CC2)C1 ZINC001164869352 721269420 /nfs/dbraw/zinc/26/94/20/721269420.db2.gz LISNOOIXPLRCKI-UHFFFAOYSA-N 1 0 416.953 2.895 20 0 HFADRO CC[C@@H]1C(=O)Nc2cnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc2N1C1CCCC1 ZINC001164774007 721288095 /nfs/dbraw/zinc/28/80/95/721288095.db2.gz VMAGKKKNZZDUDR-LJQANCHMSA-N 1 0 410.566 2.878 20 0 HFADRO C[NH+](C)Cc1ccnc(N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)c1 ZINC001164874770 721299620 /nfs/dbraw/zinc/29/96/20/721299620.db2.gz CJACKXPJIAGWSO-HKUYNNGSSA-N 1 0 400.548 2.572 20 0 HFADRO Cc1cc2c(ncnc2N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC001164776679 721343764 /nfs/dbraw/zinc/34/37/64/721343764.db2.gz CBKJLFXMULDSOD-QFIPXVFZSA-N 1 0 410.522 2.990 20 0 HFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164888508 721384803 /nfs/dbraw/zinc/38/48/03/721384803.db2.gz JPXUIZBMLTUWMW-KDOFPFPSSA-N 1 0 400.354 2.549 20 0 HFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccco2)n1 ZINC001164895810 721440575 /nfs/dbraw/zinc/44/05/75/721440575.db2.gz PXOMHAVFJQMFIA-WMZHIEFXSA-N 1 0 411.550 2.810 20 0 HFADRO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)o1 ZINC001164889580 721441549 /nfs/dbraw/zinc/44/15/49/721441549.db2.gz BXAGXWVODVBQMA-AUSIDOKSSA-N 1 0 411.550 2.810 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccnc(SC)n1)CC2 ZINC001164783282 721450726 /nfs/dbraw/zinc/45/07/26/721450726.db2.gz BECDFJKHBSBDBJ-SFHVURJKSA-N 1 0 406.596 2.932 20 0 HFADRO CCc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(Cl)nc1C ZINC001164886557 721452018 /nfs/dbraw/zinc/45/20/18/721452018.db2.gz HHGYERHFAZIJAC-LAUBAEHRSA-N 1 0 407.990 2.766 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(OCOC)cn1)CC2 ZINC001164787790 721460317 /nfs/dbraw/zinc/46/03/17/721460317.db2.gz SJHCLPSLDXMNTB-FQEVSTJZSA-N 1 0 419.566 2.798 20 0 HFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc3ccccc3n1)CC2 ZINC001164787168 721468670 /nfs/dbraw/zinc/46/86/70/721468670.db2.gz CWPRYGMFMRFIEZ-IBGZPJMESA-N 1 0 411.550 2.759 20 0 HFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)nc1 ZINC001164894318 721484704 /nfs/dbraw/zinc/48/47/04/721484704.db2.gz HHBOKVJNVTZUDA-LGVFNWMJSA-N 1 0 412.578 2.998 20 0 HFADRO CCOC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900112 721511134 /nfs/dbraw/zinc/51/11/34/721511134.db2.gz OFVGJCWIIXBDCF-GDBMZVCRSA-N 1 0 420.872 2.788 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4sccc42)CC3)CC1 ZINC001164794123 721512150 /nfs/dbraw/zinc/51/21/50/721512150.db2.gz GOOIBEBQVXUEFF-UHFFFAOYSA-N 1 0 402.955 2.914 20 0 HFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c2ccn4C2CCCC2)CC3)CC1 ZINC001164798462 721514533 /nfs/dbraw/zinc/51/45/33/721514533.db2.gz UTRNFGXXPSODDQ-UHFFFAOYSA-N 1 0 420.565 2.511 20 0 HFADRO COC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164899676 721518136 /nfs/dbraw/zinc/51/81/36/721518136.db2.gz LOZYZHJQHJHCRF-PKOBYXMFSA-N 1 0 422.460 2.897 20 0 HFADRO O=c1cc2[nH]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)cc-2[nH]1 ZINC001164905188 721536857 /nfs/dbraw/zinc/53/68/57/721536857.db2.gz GJQWQAOVPVMOLS-DZGCQCFKSA-N 1 0 402.857 2.711 20 0 HFADRO COc1ccc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1 ZINC001164804593 721539270 /nfs/dbraw/zinc/53/92/70/721539270.db2.gz KQADMQPHTUAHJX-FDFHNCONSA-N 1 0 405.502 2.902 20 0 HFADRO CCOc1ccc(C(=O)OC)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911024 721540046 /nfs/dbraw/zinc/54/00/46/721540046.db2.gz VEMMPUYVCFQIHM-FUHWJXTLSA-N 1 0 415.465 2.748 20 0 HFADRO CC(C)(C)OC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903419 721540542 /nfs/dbraw/zinc/54/05/42/721540542.db2.gz CLEWJYVAGMOJGQ-FUHWJXTLSA-N 1 0 414.481 2.913 20 0 HFADRO COC(=O)c1cc2c[nH]c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)cc-2n1 ZINC001164910375 721548717 /nfs/dbraw/zinc/54/87/17/721548717.db2.gz UMIMVTYCHPVIJD-SJLPKXTDSA-N 1 0 410.449 2.831 20 0 HFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164903103 721560981 /nfs/dbraw/zinc/56/09/81/721560981.db2.gz AKRFZPWFIFPNBI-PKOBYXMFSA-N 1 0 415.538 2.511 20 0 HFADRO NC(=O)c1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905531 721586128 /nfs/dbraw/zinc/58/61/28/721586128.db2.gz JRFDMJZDYNNWIN-LJQANCHMSA-N 1 0 421.879 2.967 20 0 HFADRO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ncccc2C[NH+]2CCCC2)C1 ZINC001164804627 721606759 /nfs/dbraw/zinc/60/67/59/721606759.db2.gz MGCBHOGHQIQDIO-HSZRJFAPSA-N 1 0 408.550 2.520 20 0 HFADRO COc1cc2ccnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2cc1F ZINC001165012765 721749980 /nfs/dbraw/zinc/74/99/80/721749980.db2.gz NGTWUGRALLNYLM-UHFFFAOYSA-N 1 0 400.498 2.906 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3S(C)(=O)=O)C[C@@H]21 ZINC001165021293 721807116 /nfs/dbraw/zinc/80/71/16/721807116.db2.gz GCSLBNSXEYPKFC-NZSAHSFTSA-N 1 0 400.548 2.617 20 0 HFADRO CCOC(=O)Cc1ccc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165024117 721819130 /nfs/dbraw/zinc/81/91/30/721819130.db2.gz ISHAWFVKCQKQEA-WMQCIHAUSA-N 1 0 409.534 2.714 20 0 HFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(N)=O)nc(C4CC4)n3)C[C@H]21 ZINC001165025774 721832267 /nfs/dbraw/zinc/83/22/67/721832267.db2.gz NXKNXDQIVRVROU-YVWKXTFCSA-N 1 0 406.534 2.585 20 0 HFADRO CCOC(=O)c1ccc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nn1 ZINC001165020361 721839048 /nfs/dbraw/zinc/83/90/48/721839048.db2.gz IMLGGZAVVJQUGL-UHFFFAOYSA-N 1 0 414.506 2.771 20 0 HFADRO c1ccc(COC[C@]23COC[C@@H]2CN(c2cccc(OCC[NH+]4CCCC4)n2)C3)nc1 ZINC001164928180 721839575 /nfs/dbraw/zinc/83/95/75/721839575.db2.gz XCEPIPPREJCDIC-RDPSFJRHSA-N 1 0 424.545 2.621 20 0 HFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164927974 721870985 /nfs/dbraw/zinc/87/09/85/721870985.db2.gz XQJJXJNLFUAKPJ-HOTGVXAUSA-N 1 0 406.893 2.671 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5c(n4)OCC(=O)N5)CC3)C2)cc1 ZINC001164940537 721926050 /nfs/dbraw/zinc/92/60/50/721926050.db2.gz SSRKIJDFXZGLKT-UHFFFAOYSA-N 1 0 408.502 2.592 20 0 HFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc5c4NC(=O)CO5)CC3)C2)cc1 ZINC001164938950 721926543 /nfs/dbraw/zinc/92/65/43/721926543.db2.gz CTBMZVUPXNJTMW-UHFFFAOYSA-N 1 0 408.502 2.592 20 0 HFADRO CC[C@@H]1C(=O)N(C)c2cnc(N(C)CC3CC[NH+](C)CC3)nc2N1C1CCCC1 ZINC001165041270 721933795 /nfs/dbraw/zinc/93/37/95/721933795.db2.gz NSBSWQBFPQCLQJ-GOSISDBHSA-N 1 0 400.571 2.759 20 0 HFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@H]32)nc1 ZINC001164951997 721985909 /nfs/dbraw/zinc/98/59/09/721985909.db2.gz NYHOZFSWMNTYQA-VAMGGRTRSA-N 1 0 406.596 2.879 20 0 HFADRO CC(C)(C)C(=O)Nc1ccnc(N2CCn3cccc3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165052200 721991671 /nfs/dbraw/zinc/99/16/71/721991671.db2.gz UDSLIRYFERHLOR-KRWDZBQOSA-N 1 0 411.550 2.702 20 0 HFADRO COC(OC)c1c(CO)ccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955428 722020808 /nfs/dbraw/zinc/02/08/08/722020808.db2.gz GIAIIXOYELBJRJ-UHFFFAOYSA-N 1 0 412.534 2.753 20 0 HFADRO COC(=O)c1c(C)cc(C)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963796 722055613 /nfs/dbraw/zinc/05/56/13/722055613.db2.gz LEXCPSXTYOZIBR-UHFFFAOYSA-N 1 0 424.545 2.999 20 0 HFADRO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164963688 722064975 /nfs/dbraw/zinc/06/49/75/722064975.db2.gz BYRAHLGUKMKHGD-QZTJIDSGSA-N 1 0 413.547 2.506 20 0 HFADRO Fc1c[nH]c2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164985142 722100108 /nfs/dbraw/zinc/10/01/08/722100108.db2.gz UZGXIQHWZSNECX-HOCLYGCPSA-N 1 0 416.888 2.873 20 0 HFADRO Clc1nc2cccnc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975812 722116781 /nfs/dbraw/zinc/11/67/81/722116781.db2.gz LBRAGVJMQYCOKJ-FUHWJXTLSA-N 1 0 410.909 2.801 20 0 HFADRO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972482 722118625 /nfs/dbraw/zinc/11/86/25/722118625.db2.gz FRHWDUZJBQCDHZ-KPFFTGBYSA-N 1 0 406.889 2.985 20 0 HFADRO COc1nc(Cl)nc(C)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975775 722118636 /nfs/dbraw/zinc/11/86/36/722118636.db2.gz KYMMBIFXFWDEII-DLBZAZTESA-N 1 0 403.914 2.569 20 0 HFADRO COc1nc(Cl)nc(C)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975791 722118649 /nfs/dbraw/zinc/11/86/49/722118649.db2.gz KYMMBIFXFWDEII-IRXDYDNUSA-N 1 0 403.914 2.569 20 0 HFADRO Clc1nnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2ncccc12 ZINC001164971946 722119269 /nfs/dbraw/zinc/11/92/69/722119269.db2.gz DZCHGSGLLWVXML-FUHWJXTLSA-N 1 0 410.909 2.801 20 0 HFADRO Clc1nc2ncsc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983651 722119862 /nfs/dbraw/zinc/11/98/62/722119862.db2.gz YVJMQWOGZVFAHH-LSDHHAIUSA-N 1 0 416.938 2.862 20 0 HFADRO Clc1cnc2c(c1)ncnc2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981985 722125773 /nfs/dbraw/zinc/12/57/73/722125773.db2.gz VLIBYTVZXMBPNS-LPHOPBHVSA-N 1 0 410.909 2.801 20 0 HFADRO CCOC(=O)c1c(C)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1C ZINC001164971463 722125777 /nfs/dbraw/zinc/12/57/77/722125777.db2.gz COLHISKXBJMJKG-RTWAWAEBSA-N 1 0 424.545 2.997 20 0 HFADRO CCOC(=O)c1c(C)ccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984651 722132564 /nfs/dbraw/zinc/13/25/64/722132564.db2.gz YFWOFKIYGAJMTI-PMACEKPBSA-N 1 0 410.518 2.689 20 0 HFADRO COC(OC)c1cc(C)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980942 722134212 /nfs/dbraw/zinc/13/42/12/722134212.db2.gz NXSMBARUSYGQNQ-PZJWPPBQSA-N 1 0 412.534 2.804 20 0 HFADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccncc2)n1 ZINC001164983353 722138217 /nfs/dbraw/zinc/13/82/17/722138217.db2.gz UOUKDXIJGLQOKM-VXKWHMMOSA-N 1 0 416.529 2.969 20 0 HFADRO Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccccn2)n1 ZINC001164980254 722139006 /nfs/dbraw/zinc/13/90/06/722139006.db2.gz MEKIFAMVGVJNQE-RBBKRZOGSA-N 1 0 416.529 2.969 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(-c5ccncc5)ncn4)CC[C@H]3C2)c1 ZINC001164978897 722144465 /nfs/dbraw/zinc/14/44/65/722144465.db2.gz KLWYSJOTILGKRO-UNMCSNQZSA-N 1 0 402.502 2.661 20 0 HFADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(-c5ccncc5)nn4)CC[C@H]3C2)c1 ZINC001164972540 722147694 /nfs/dbraw/zinc/14/76/94/722147694.db2.gz ABIUBDYOBKOPAU-RBBKRZOGSA-N 1 0 402.502 2.661 20 0 HFADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164988265 722187759 /nfs/dbraw/zinc/18/77/59/722187759.db2.gz CYUZFCJJWBPIAY-HXUWFJFHSA-N 1 0 400.567 2.777 20 0 HFADRO C[C@H]1C(=O)Nc2cnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2N1C ZINC001164995983 722200280 /nfs/dbraw/zinc/20/02/80/722200280.db2.gz RBCJPGPJCYDADY-OYHNWAKOSA-N 1 0 410.497 2.637 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(Oc3ccccc3)ncn1)CCC2 ZINC001165000535 722251509 /nfs/dbraw/zinc/25/15/09/722251509.db2.gz RELOQVDYDZLAGN-UHFFFAOYSA-N 1 0 408.506 2.954 20 0 HFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nccc(-c3ccc(F)cc3)n1)CCC2 ZINC001165000443 722253027 /nfs/dbraw/zinc/25/30/27/722253027.db2.gz PPPPHHPXXFWZIW-UHFFFAOYSA-N 1 0 410.497 2.968 20 0 HFADRO CCCN(CCC)c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncn1 ZINC001165001797 722255119 /nfs/dbraw/zinc/25/51/19/722255119.db2.gz GACZNOMPJNSZCU-UHFFFAOYSA-N 1 0 415.586 2.788 20 0 HFADRO Cc1csc2nc(C)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165004017 722257201 /nfs/dbraw/zinc/25/72/01/722257201.db2.gz LMPJSXNSLLONJA-UHFFFAOYSA-N 1 0 400.552 2.993 20 0 HFADRO C[C@@H](CCNC(=O)C(=O)Nc1cccc(Br)n1)[N@H+](C)Cc1ccccc1 ZINC000792997906 1078044617 /nfs/dbraw/zinc/04/46/17/1078044617.db2.gz NLJSFVXVKCRPLV-AWEZNQCLSA-N 1 0 419.323 2.809 20 0 HFADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(Br)n2)C[N@@H+]1Cc1ccccc1 ZINC000793006944 1078046884 /nfs/dbraw/zinc/04/68/84/1078046884.db2.gz PAFSPZHAIWSKAL-HIFRSBDPSA-N 1 0 417.307 2.562 20 0 HFADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3cccc(F)n3)cc2Cl)CC1 ZINC000793041213 1078054138 /nfs/dbraw/zinc/05/41/38/1078054138.db2.gz VPZFQOQOCLRXAG-UHFFFAOYSA-N 1 0 419.888 2.983 20 0 HFADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C(F)(F)F ZINC000793042613 1078054257 /nfs/dbraw/zinc/05/42/57/1078054257.db2.gz HBPSAPDEYNPTQI-INIZCTEOSA-N 1 0 414.819 2.584 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)nc1Br ZINC000793042543 1078054400 /nfs/dbraw/zinc/05/44/00/1078054400.db2.gz OEPNVCWWMZIJFU-AWEZNQCLSA-N 1 0 409.328 2.568 20 0 HFADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000793045103 1078055075 /nfs/dbraw/zinc/05/50/75/1078055075.db2.gz LTKWNNYKDMJJQQ-VQTJNVASSA-N 1 0 402.539 2.819 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000793045099 1078055166 /nfs/dbraw/zinc/05/51/66/1078055166.db2.gz LTKWNNYKDMJJQQ-PMACEKPBSA-N 1 0 402.539 2.819 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000793045101 1078055234 /nfs/dbraw/zinc/05/52/34/1078055234.db2.gz LTKWNNYKDMJJQQ-UXHICEINSA-N 1 0 402.539 2.819 20 0 HFADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790567565 1078057477 /nfs/dbraw/zinc/05/74/77/1078057477.db2.gz KUTVLRKEPAISNZ-FQEVSTJZSA-N 1 0 406.490 2.905 20 0 HFADRO COCC1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793126761 1078072185 /nfs/dbraw/zinc/07/21/85/1078072185.db2.gz AOTMPVSAILVREO-GOSISDBHSA-N 1 0 411.587 2.888 20 0 HFADRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747101020 1078076279 /nfs/dbraw/zinc/07/62/79/1078076279.db2.gz CCSWDFMJCWOAFU-LJQANCHMSA-N 1 0 423.435 2.976 20 0 HFADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccc(SC(F)F)nc2)cc1 ZINC000793107919 1078081020 /nfs/dbraw/zinc/08/10/20/1078081020.db2.gz DCCPKRUZZWFRCM-OAHLLOKOSA-N 1 0 424.473 2.763 20 0 HFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(CCO)Cc2cccnc2Cl)CC1 ZINC000793114076 1078083113 /nfs/dbraw/zinc/08/31/13/1078083113.db2.gz GQOYKNSMAHTVRV-INIZCTEOSA-N 1 0 417.941 2.860 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790676811 1078088259 /nfs/dbraw/zinc/08/82/59/1078088259.db2.gz LLEQOACAQZSWIR-OAQYLSRUSA-N 1 0 412.509 2.830 20 0 HFADRO COC(=O)[C@H](COCc1ccccc1)Nc1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1 ZINC001170142341 1078093029 /nfs/dbraw/zinc/09/30/29/1078093029.db2.gz ONAVODDWHXHYJZ-WPFOTENUSA-N 1 0 410.514 2.877 20 0 HFADRO CCOC(=O)N1CCC([NH2+]CC2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790651389 1078093874 /nfs/dbraw/zinc/09/38/74/1078093874.db2.gz AVCCXAJEDYBYJF-UHFFFAOYSA-N 1 0 413.559 2.861 20 0 HFADRO COCC1(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793236622 1078103381 /nfs/dbraw/zinc/10/33/81/1078103381.db2.gz JGBMBIBUFQEHFF-SFHVURJKSA-N 1 0 411.587 2.887 20 0 HFADRO C[C@]1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793207020 1078106414 /nfs/dbraw/zinc/10/64/14/1078106414.db2.gz LUGDWSIKFKATBU-QHCPKHFHSA-N 1 0 414.550 2.961 20 0 HFADRO O=C1C(=O)N(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2cccc(Br)c21 ZINC000772829171 1078106435 /nfs/dbraw/zinc/10/64/35/1078106435.db2.gz RZKQOEMYYOEACY-BBRMVZONSA-N 1 0 418.335 2.885 20 0 HFADRO C[NH+](C)[C@@]1(CNC(=O)c2nc(Br)ccc2Br)CCSC1 ZINC000790720508 1078108176 /nfs/dbraw/zinc/10/81/76/1078108176.db2.gz CKSQYXJUSFCJDD-CYBMUJFWSA-N 1 0 423.174 2.774 20 0 HFADRO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NC[C@@H](C)C[NH+](C)C)c1 ZINC000793260682 1078112598 /nfs/dbraw/zinc/11/25/98/1078112598.db2.gz OJDFLECOUUEHDA-CQSZACIVSA-N 1 0 400.614 2.510 20 0 HFADRO COCCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000793294022 1078120469 /nfs/dbraw/zinc/12/04/69/1078120469.db2.gz PESYELJOTNXYSP-UHFFFAOYSA-N 1 0 407.518 2.922 20 0 HFADRO CCOC(=O)NC1CCC([NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000790747005 1078123900 /nfs/dbraw/zinc/12/39/00/1078123900.db2.gz NMUZMTZIJYKSOW-UHFFFAOYSA-N 1 0 423.579 2.795 20 0 HFADRO C[C@H](CNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)[NH+]1CCCCC1 ZINC000790772164 1078129531 /nfs/dbraw/zinc/12/95/31/1078129531.db2.gz XCWGTCNGPXLDGN-CYBMUJFWSA-N 1 0 421.485 2.783 20 0 HFADRO C[C@@H](NC(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000790771654 1078129603 /nfs/dbraw/zinc/12/96/03/1078129603.db2.gz VNFQFZLVECQJFT-PMPSAXMXSA-N 1 0 402.555 2.952 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793315385 1078134299 /nfs/dbraw/zinc/13/42/99/1078134299.db2.gz QWQJBNOZMREOBY-OTWHNJEPSA-N 1 0 422.614 2.649 20 0 HFADRO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001170145385 1078156015 /nfs/dbraw/zinc/15/60/15/1078156015.db2.gz DIEXJXBHRKXKST-UHFFFAOYSA-N 1 0 411.543 2.603 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC001170431981 1078174134 /nfs/dbraw/zinc/17/41/34/1078174134.db2.gz PSGZFQHORWYPDD-SFHVURJKSA-N 1 0 405.539 2.879 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)c(C)cc1F ZINC000793416848 1078176771 /nfs/dbraw/zinc/17/67/71/1078176771.db2.gz RGTYQWUJGUUNDJ-UHFFFAOYSA-N 1 0 410.467 2.662 20 0 HFADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)C1 ZINC000793460377 1078179254 /nfs/dbraw/zinc/17/92/54/1078179254.db2.gz TYCSIBOXTANCDH-GOSISDBHSA-N 1 0 403.523 2.825 20 0 HFADRO COCC1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793463944 1078180257 /nfs/dbraw/zinc/18/02/57/1078180257.db2.gz LSQTZODOZRFDST-SFHVURJKSA-N 1 0 409.571 2.737 20 0 HFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cs1 ZINC000793465737 1078181331 /nfs/dbraw/zinc/18/13/31/1078181331.db2.gz VLJPTKUWLYAQGI-OAHLLOKOSA-N 1 0 408.568 2.911 20 0 HFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000793455296 1078192391 /nfs/dbraw/zinc/19/23/91/1078192391.db2.gz BMWAJVZYFZRRDF-KRWDZBQOSA-N 1 0 416.566 2.740 20 0 HFADRO COc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)c(Br)cn1 ZINC001170434053 1078201476 /nfs/dbraw/zinc/20/14/76/1078201476.db2.gz DVLHDOAYTSLIOP-INIZCTEOSA-N 1 0 421.339 2.982 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C[C@H]1C ZINC000793550297 1078208097 /nfs/dbraw/zinc/20/80/97/1078208097.db2.gz AGSDKFIBQDQJFX-UMSONDCASA-N 1 0 424.545 2.910 20 0 HFADRO COCC1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793564001 1078211111 /nfs/dbraw/zinc/21/11/11/1078211111.db2.gz CCQQRDYSJNTNFI-IBGZPJMESA-N 1 0 423.598 2.985 20 0 HFADRO COC(=O)c1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000793583436 1078214949 /nfs/dbraw/zinc/21/49/49/1078214949.db2.gz DLVWPQMFXNYVHT-KRWDZBQOSA-N 1 0 411.340 2.969 20 0 HFADRO CN(CCC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)C(=O)OCc1ccccc1 ZINC000793651863 1078226251 /nfs/dbraw/zinc/22/62/51/1078226251.db2.gz OHPRWLRWGMSCDF-OAQYLSRUSA-N 1 0 417.550 2.749 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000793654206 1078226710 /nfs/dbraw/zinc/22/67/10/1078226710.db2.gz SSNKNECWDYPSAN-CVAIRZPRSA-N 1 0 415.559 2.617 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000793654212 1078226726 /nfs/dbraw/zinc/22/67/26/1078226726.db2.gz SSNKNECWDYPSAN-ZAAXVRCTSA-N 1 0 415.559 2.617 20 0 HFADRO C[NH+](C)[C@]1(CNC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)CCSC1 ZINC000793612043 1078227722 /nfs/dbraw/zinc/22/77/22/1078227722.db2.gz IVAMEYGMOPOCGX-RTWAWAEBSA-N 1 0 405.564 2.589 20 0 HFADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000793622335 1078230061 /nfs/dbraw/zinc/23/00/61/1078230061.db2.gz UBUMJTBIGCGKRV-CABCVRRESA-N 1 0 408.568 2.909 20 0 HFADRO C[C@H](O)c1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000793636937 1078236992 /nfs/dbraw/zinc/23/69/92/1078236992.db2.gz KSMDNHPFEUFRKP-INIZCTEOSA-N 1 0 417.937 2.600 20 0 HFADRO COC(=O)[C@]1(NC(=O)C[C@H]2CCC[C@H](OC)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000793638071 1078237199 /nfs/dbraw/zinc/23/71/99/1078237199.db2.gz VSBZPUGOPYWHQS-JTAQYXEDSA-N 1 0 402.535 2.906 20 0 HFADRO COCC1(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793642921 1078239335 /nfs/dbraw/zinc/23/93/35/1078239335.db2.gz KQZNGJGBMOFDLA-SFHVURJKSA-N 1 0 411.587 2.744 20 0 HFADRO Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)[NH+]2CCCC2)cc1 ZINC000793643438 1078239754 /nfs/dbraw/zinc/23/97/54/1078239754.db2.gz MPSIQXROPDGICV-AVRDEDQJSA-N 1 0 409.530 2.618 20 0 HFADRO C[C@H]1C[C@@H](C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000793669750 1078246783 /nfs/dbraw/zinc/24/67/83/1078246783.db2.gz RBCFLPFNCSGXNZ-FHWLQOOXSA-N 1 0 409.571 2.735 20 0 HFADRO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000793684400 1078254188 /nfs/dbraw/zinc/25/41/88/1078254188.db2.gz AMYRHPRDNWUBNW-JQVVWYNYSA-N 1 0 409.530 2.597 20 0 HFADRO C[C@@H](COc1ccccc1)NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000793683999 1078254545 /nfs/dbraw/zinc/25/45/45/1078254545.db2.gz RHOPBQQPLYQKHH-KRWDZBQOSA-N 1 0 415.559 2.660 20 0 HFADRO C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C)[C@H]1CN(C)CCO1 ZINC000793689195 1078257075 /nfs/dbraw/zinc/25/70/75/1078257075.db2.gz KTJIVFRXGNRLBC-HNAYVOBHSA-N 1 0 403.523 2.823 20 0 HFADRO COc1cccc(-c2ccc(CNC(=O)C(=O)NC[C@@H](C)[NH+]3CCCCC3)cc2)c1 ZINC000793716694 1078263473 /nfs/dbraw/zinc/26/34/73/1078263473.db2.gz KXTFZROIYIBETC-GOSISDBHSA-N 1 0 409.530 2.969 20 0 HFADRO Cc1cc(Br)ccc1CN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793718320 1078263573 /nfs/dbraw/zinc/26/35/73/1078263573.db2.gz ISCGIQWQGYOJAQ-OAHLLOKOSA-N 1 0 410.356 2.707 20 0 HFADRO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000793717716 1078263916 /nfs/dbraw/zinc/26/39/16/1078263916.db2.gz GXFKKFBBJAZWGM-YADHBBJMSA-N 1 0 411.546 2.604 20 0 HFADRO O=C(NCc1ccccc1-n1ccnc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793717909 1078263930 /nfs/dbraw/zinc/26/39/30/1078263930.db2.gz LBWYIPPAPUUTCM-UHFFFAOYSA-N 1 0 423.561 2.649 20 0 HFADRO C[C@H](CNC(=O)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1)[NH+]1CCCCC1 ZINC000793720880 1078265468 /nfs/dbraw/zinc/26/54/68/1078265468.db2.gz IPQCPYIJUWTEQM-QGZVFWFLSA-N 1 0 415.534 2.677 20 0 HFADRO O=C(NCc1ccccc1N1CCCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000793727583 1078268806 /nfs/dbraw/zinc/26/88/06/1078268806.db2.gz OYHADHDRLDREKP-UHFFFAOYSA-N 1 0 412.578 2.816 20 0 HFADRO COc1ccc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1OC1CCCC1 ZINC000793697665 1078272795 /nfs/dbraw/zinc/27/27/95/1078272795.db2.gz IQNIZSNFIRPFRR-QGZVFWFLSA-N 1 0 417.550 2.623 20 0 HFADRO C[C@@H](CNC(=O)C(=O)N1CCC(c2nc3ccccc3s2)CC1)[NH+]1CCCCC1 ZINC000793699853 1078273521 /nfs/dbraw/zinc/27/35/21/1078273521.db2.gz BLWPMRQXOOZFKH-INIZCTEOSA-N 1 0 414.575 2.993 20 0 HFADRO C[C@@H](CCc1ccc(Br)cc1)NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793700933 1078273840 /nfs/dbraw/zinc/27/38/40/1078273840.db2.gz NBFJMPCJXDOYLY-HOTGVXAUSA-N 1 0 424.383 2.877 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001170436402 1078277285 /nfs/dbraw/zinc/27/72/85/1078277285.db2.gz IJGBUQWEOYVBDM-YZZKKUAISA-N 1 0 418.534 2.898 20 0 HFADRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000793738476 1078285720 /nfs/dbraw/zinc/28/57/20/1078285720.db2.gz RIMAKTKWDZSJQP-MRXNPFEDSA-N 1 0 412.534 2.913 20 0 HFADRO CS[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000793783596 1078293810 /nfs/dbraw/zinc/29/38/10/1078293810.db2.gz KFBVFGIRPXYBPD-AQNXPRMDSA-N 1 0 403.592 2.976 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000793792507 1078298334 /nfs/dbraw/zinc/29/83/34/1078298334.db2.gz PIYUFKCKGXFTIJ-CNNODRBYSA-N 1 0 409.530 2.515 20 0 HFADRO CC[C@@H]1Cc2ccccc2CN1C(=O)C(=O)NCc1cccnc1-n1ccnc1C ZINC000793808306 1078305976 /nfs/dbraw/zinc/30/59/76/1078305976.db2.gz UFVQXHKDYCVZID-HXUWFJFHSA-N 1 0 403.486 2.555 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000793796161 1078300585 /nfs/dbraw/zinc/30/05/85/1078300585.db2.gz XHJVTZUETQELLQ-FPOVZHCZSA-N 1 0 409.530 2.517 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000793779487 1078309336 /nfs/dbraw/zinc/30/93/36/1078309336.db2.gz AZLDNAAPUKLFBH-LEWJYISDSA-N 1 0 415.578 2.849 20 0 HFADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)COc2ccc(C)cc2)CC1 ZINC000793780067 1078309833 /nfs/dbraw/zinc/30/98/33/1078309833.db2.gz OAJYTNIOHUVTDV-IBGZPJMESA-N 1 0 403.567 2.849 20 0 HFADRO C[C@H]1C[C@@H](C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000793838505 1078310827 /nfs/dbraw/zinc/31/08/27/1078310827.db2.gz KJEVVRWZOYOHAF-ROUUACIJSA-N 1 0 410.603 2.554 20 0 HFADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)([NH+](C)C)C1 ZINC000793812312 1078314851 /nfs/dbraw/zinc/31/48/51/1078314851.db2.gz LCVQURWFVIVOCN-OCNWWYDUSA-N 1 0 415.578 2.560 20 0 HFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NOCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149009 1078318425 /nfs/dbraw/zinc/31/84/25/1078318425.db2.gz FBVMRUFDRLMZBZ-RDJZCZTQSA-N 1 0 413.440 2.586 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001170438545 1078322472 /nfs/dbraw/zinc/32/24/72/1078322472.db2.gz TXJQREBOZIDUJR-OFNKIYASSA-N 1 0 404.551 2.797 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2nccn2C[C@H](CN2CCCC2=O)C1 ZINC001170438556 1078322500 /nfs/dbraw/zinc/32/25/00/1078322500.db2.gz TYVOBYXIPWEXFV-RTBURBONSA-N 1 0 410.518 2.687 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NC2CCC2)C1 ZINC001170438524 1078322534 /nfs/dbraw/zinc/32/25/34/1078322534.db2.gz SWWHIRGAUCMFLM-ZVVDCOBXSA-N 1 0 400.519 2.742 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)c1 ZINC000793863101 1078326846 /nfs/dbraw/zinc/32/68/46/1078326846.db2.gz BMWCHATXJJGMSK-JOCHJYFZSA-N 1 0 422.573 2.848 20 0 HFADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c1 ZINC000793868087 1078328376 /nfs/dbraw/zinc/32/83/76/1078328376.db2.gz LGWXRFHTZAEVNH-UHFFFAOYSA-N 1 0 419.529 2.599 20 0 HFADRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2ccccc2NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000793873419 1078330044 /nfs/dbraw/zinc/33/00/44/1078330044.db2.gz AVWILERHXNGMPI-IAGOWNOFSA-N 1 0 405.539 2.880 20 0 HFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793915615 1078337037 /nfs/dbraw/zinc/33/70/37/1078337037.db2.gz ZQZSWBXDASEYQI-MOXWOTFGSA-N 1 0 415.578 2.753 20 0 HFADRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 ZINC000793969532 1078349305 /nfs/dbraw/zinc/34/93/05/1078349305.db2.gz ZGMOYCVUXBGMIN-VAMGGRTRSA-N 1 0 410.518 2.521 20 0 HFADRO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000793948050 1078355594 /nfs/dbraw/zinc/35/55/94/1078355594.db2.gz JIZWUCFFHBSIQM-XUVXKRRUSA-N 1 0 407.599 2.526 20 0 HFADRO COC(=O)/C=C/c1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)cc1 ZINC000794050401 1078366029 /nfs/dbraw/zinc/36/60/29/1078366029.db2.gz HIKBIXFXABZQCX-JVVYVMHDSA-N 1 0 414.527 2.945 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 ZINC001170444693 1078391132 /nfs/dbraw/zinc/39/11/32/1078391132.db2.gz ULRALUUVWAYBPJ-MOPGFXCFSA-N 1 0 410.518 2.608 20 0 HFADRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000794217173 1078394978 /nfs/dbraw/zinc/39/49/78/1078394978.db2.gz FLTQREREMIQLFS-CQSZACIVSA-N 1 0 401.548 2.753 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](OCC2CCOCC2)[C@H]2COC[C@H]21 ZINC001170445174 1078403554 /nfs/dbraw/zinc/40/35/54/1078403554.db2.gz WCVHMPMRRXOXHE-VLVHOKLOSA-N 1 0 403.519 2.879 20 0 HFADRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001170445171 1078403632 /nfs/dbraw/zinc/40/36/32/1078403632.db2.gz WAWVDAQGVRDDTP-PWHSHALESA-N 1 0 400.519 2.601 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000794326257 1078414798 /nfs/dbraw/zinc/41/47/98/1078414798.db2.gz DHWUAMBYSUVKAV-MRXNPFEDSA-N 1 0 417.510 2.587 20 0 HFADRO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794338556 1078419139 /nfs/dbraw/zinc/41/91/39/1078419139.db2.gz HHDUQGMSHXAFAU-YJBOKZPZSA-N 1 0 406.527 2.678 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794330413 1078416031 /nfs/dbraw/zinc/41/60/31/1078416031.db2.gz VZCNNIQSZYRIEC-HZPDHXFCSA-N 1 0 401.548 2.593 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000794340612 1078419827 /nfs/dbraw/zinc/41/98/27/1078419827.db2.gz YSCAJIBXPHQZTG-UHFFFAOYSA-N 1 0 404.511 2.576 20 0 HFADRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000794341882 1078420162 /nfs/dbraw/zinc/42/01/62/1078420162.db2.gz APCJIANIDDASFK-AEFFLSMTSA-N 1 0 418.538 2.774 20 0 HFADRO CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794344897 1078420968 /nfs/dbraw/zinc/42/09/68/1078420968.db2.gz POELYCIQDXIFLZ-OAQYLSRUSA-N 1 0 406.527 2.680 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000794383732 1078432687 /nfs/dbraw/zinc/43/26/87/1078432687.db2.gz PMHANTNPYSUJRX-MOPGFXCFSA-N 1 0 405.539 2.547 20 0 HFADRO COC(=O)c1cnc(NCc2cccnc2N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000804382114 1078441201 /nfs/dbraw/zinc/44/12/01/1078441201.db2.gz YOCGJKHEOXFXJW-UHFFFAOYSA-N 1 0 409.412 2.646 20 0 HFADRO CC(C)Cc1ncnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1I ZINC000804396543 1078461618 /nfs/dbraw/zinc/46/16/18/1078461618.db2.gz JOIJKYYDCLHADK-QWHCGFSZSA-N 1 0 416.307 2.555 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000804418909 1078468832 /nfs/dbraw/zinc/46/88/32/1078468832.db2.gz ZGTPOBJKUNAYOX-VQTJNVASSA-N 1 0 421.969 2.603 20 0 HFADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000804420302 1078469354 /nfs/dbraw/zinc/46/93/54/1078469354.db2.gz GSBDNXGQVNXNSK-HIFRSBDPSA-N 1 0 401.429 2.753 20 0 HFADRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ncccc2C(=O)N(C)C)CC1 ZINC001170450798 1078482030 /nfs/dbraw/zinc/48/20/30/1078482030.db2.gz UVXKUFSKOSVQQC-SFHVURJKSA-N 1 0 410.518 2.655 20 0 HFADRO CCc1ccc([C@@H](CNC(=O)c2nnn(-c3cnn(C)c3)c2C)[NH+](CC)CC)cc1 ZINC001129458736 1078485213 /nfs/dbraw/zinc/48/52/13/1078485213.db2.gz SXBCGTAURAWBBK-HXUWFJFHSA-N 1 0 409.538 2.685 20 0 HFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000804461112 1078501729 /nfs/dbraw/zinc/50/17/29/1078501729.db2.gz ZWCNRYRBHZKCHI-DETPAEQWSA-N 1 0 417.525 2.918 20 0 HFADRO O=C(Cn1ncc(=O)c2ccccc21)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001129485182 1078505630 /nfs/dbraw/zinc/50/56/30/1078505630.db2.gz DEROHXWQEWYFKN-FQEVSTJZSA-N 1 0 404.514 2.815 20 0 HFADRO COCCCN(C(=O)c1cnn(C(C)(C)C)c1Br)C1CC[NH+](C)CC1 ZINC001129488243 1078507850 /nfs/dbraw/zinc/50/78/50/1078507850.db2.gz QDKHZMPCNDERAF-UHFFFAOYSA-N 1 0 415.376 2.974 20 0 HFADRO O=Cc1cccc(OCCC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000804446470 1078513680 /nfs/dbraw/zinc/51/36/80/1078513680.db2.gz HRBSYPLYAXVSRT-QHCPKHFHSA-N 1 0 421.541 2.687 20 0 HFADRO O=C([C@@H]1CSCC(=O)N1)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001129526845 1078519722 /nfs/dbraw/zinc/51/97/22/1078519722.db2.gz CDLPTZTVCXAGKR-SFTDATJTSA-N 1 0 415.603 2.901 20 0 HFADRO COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001129801889 1078525887 /nfs/dbraw/zinc/52/58/87/1078525887.db2.gz SHJNLTNZGRRIQA-JBYIUTFZSA-N 1 0 412.534 2.900 20 0 HFADRO COc1ccc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)cc1-c1ccccc1 ZINC001129848081 1078531150 /nfs/dbraw/zinc/53/11/50/1078531150.db2.gz OVKCLWXNZDQFMN-UHFFFAOYSA-N 1 0 423.557 2.889 20 0 HFADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2nc3cc(Cl)ccn3n2)[C@H](c2cnn(C)c2)C1 ZINC001129566462 1078560238 /nfs/dbraw/zinc/56/02/38/1078560238.db2.gz GUTFJTDFSGRVQE-HOTGVXAUSA-N 1 0 401.902 2.569 20 0 HFADRO COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC001129572078 1078564878 /nfs/dbraw/zinc/56/48/78/1078564878.db2.gz JCUNLNQBVWDDRQ-NRFANRHFSA-N 1 0 419.566 2.897 20 0 HFADRO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)c3c(F)cc(F)cc3F)cc2)CC1 ZINC001129871589 1078568373 /nfs/dbraw/zinc/56/83/73/1078568373.db2.gz GMOFPSXQNNVQMC-UHFFFAOYSA-N 1 0 405.420 2.731 20 0 HFADRO O=C(Cc1csc(-c2nc[nH]n2)n1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804534340 1078570907 /nfs/dbraw/zinc/57/09/07/1078570907.db2.gz OOGBGZPENUSTIC-OAQYLSRUSA-N 1 0 408.531 2.595 20 0 HFADRO CCCN(CC[NH+]1CCCCCC1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC001129582153 1078571326 /nfs/dbraw/zinc/57/13/26/1078571326.db2.gz VNJORJNEVIBCPJ-HSZRJFAPSA-N 1 0 414.550 2.568 20 0 HFADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001129599173 1078573290 /nfs/dbraw/zinc/57/32/90/1078573290.db2.gz LVDBGBHKHXOSSN-BZSNNMDCSA-N 1 0 411.468 2.720 20 0 HFADRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001129599177 1078573806 /nfs/dbraw/zinc/57/38/06/1078573806.db2.gz LVDBGBHKHXOSSN-SQNIBIBYSA-N 1 0 411.468 2.720 20 0 HFADRO O=C(Cc1cnn(-c2ccccc2)n1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804536581 1078584982 /nfs/dbraw/zinc/58/49/82/1078584982.db2.gz WQSGIMKWADYWNX-XMMPIXPASA-N 1 0 401.514 2.934 20 0 HFADRO CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000804759784 1078610623 /nfs/dbraw/zinc/61/06/23/1078610623.db2.gz APUZNNKPTRVMAA-PMACEKPBSA-N 1 0 420.598 2.547 20 0 HFADRO C[NH+](C)CC1(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCCC1 ZINC000804765434 1078622180 /nfs/dbraw/zinc/62/21/80/1078622180.db2.gz XIXLQHJSOPPPLM-IBGZPJMESA-N 1 0 422.614 2.652 20 0 HFADRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170467336 1078630039 /nfs/dbraw/zinc/63/00/39/1078630039.db2.gz CXWIUTBNSWHMTF-XLAORIBOSA-N 1 0 417.616 2.957 20 0 HFADRO COC[C@]1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCN1C(=O)OC(C)(C)C ZINC000804786530 1078641117 /nfs/dbraw/zinc/64/11/17/1078641117.db2.gz CEYVJTOPWAOXKG-JOCHJYFZSA-N 1 0 405.539 2.894 20 0 HFADRO CC(=O)c1ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(S(N)(=O)=O)c1 ZINC000804811880 1078656998 /nfs/dbraw/zinc/65/69/98/1078656998.db2.gz FRLCBQVLHAWULH-QFIPXVFZSA-N 1 0 413.543 2.639 20 0 HFADRO NS(=O)(=O)c1ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ncccc12 ZINC000804812118 1078657084 /nfs/dbraw/zinc/65/70/84/1078657084.db2.gz JREHXFDAPJDKKT-HSZRJFAPSA-N 1 0 422.554 2.985 20 0 HFADRO COC(=O)c1cnc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C(F)(F)F ZINC000804614013 1078663006 /nfs/dbraw/zinc/66/30/06/1078663006.db2.gz GAWOTCVIEAQXHS-UHFFFAOYSA-N 1 0 414.472 2.741 20 0 HFADRO CCN(C)c1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000804830059 1078670738 /nfs/dbraw/zinc/67/07/38/1078670738.db2.gz OHGRPYJIAIPBLR-MJGOQNOKSA-N 1 0 400.567 2.528 20 0 HFADRO C[NH+]1CCC(CNC(=O)CCc2ccccc2C(F)(F)F)(N2CCOCC2)CC1 ZINC001129719969 1078672736 /nfs/dbraw/zinc/67/27/36/1078672736.db2.gz JKBMSWGFTROFQF-UHFFFAOYSA-N 1 0 413.484 2.551 20 0 HFADRO C[NH+]1CCC(CNC(=O)c2csc(C3CCCCC3)n2)(N2CCOCC2)CC1 ZINC001129721064 1078673248 /nfs/dbraw/zinc/67/32/48/1078673248.db2.gz VILLFISTWQOEIH-UHFFFAOYSA-N 1 0 406.596 2.717 20 0 HFADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000804626794 1078680429 /nfs/dbraw/zinc/68/04/29/1078680429.db2.gz QXSDNDWATSGOFR-UHFFFAOYSA-N 1 0 423.863 2.953 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCc3ccccc3OC2)CC[N@@H+]1Cc1ccccc1 ZINC000804644000 1078698635 /nfs/dbraw/zinc/69/86/35/1078698635.db2.gz VRHBRLSVXMFRJI-BVYCBKJFSA-N 1 0 421.541 2.666 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000804643668 1078699451 /nfs/dbraw/zinc/69/94/51/1078699451.db2.gz NVPNGVOTYRBRJE-FUHWJXTLSA-N 1 0 414.937 2.829 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000804643670 1078699502 /nfs/dbraw/zinc/69/95/02/1078699502.db2.gz NVPNGVOTYRBRJE-SJLPKXTDSA-N 1 0 414.937 2.829 20 0 HFADRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000804645726 1078701717 /nfs/dbraw/zinc/70/17/17/1078701717.db2.gz XBHGWRYIURJUMD-NSHGMRRFSA-N 1 0 407.555 2.537 20 0 HFADRO C[C@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001129740436 1078709695 /nfs/dbraw/zinc/70/96/95/1078709695.db2.gz CDOCDCKSDAJIOD-INIZCTEOSA-N 1 0 413.493 2.607 20 0 HFADRO C[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001129740438 1078709788 /nfs/dbraw/zinc/70/97/88/1078709788.db2.gz CDOCDCKSDAJIOD-MRXNPFEDSA-N 1 0 413.493 2.607 20 0 HFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000747220335 1078714853 /nfs/dbraw/zinc/71/48/53/1078714853.db2.gz IOPXWZPCCOWYAP-KRWDZBQOSA-N 1 0 417.579 2.965 20 0 HFADRO CCOc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1F ZINC000804856432 1078726734 /nfs/dbraw/zinc/72/67/34/1078726734.db2.gz MDBGZLKBBNRWLT-UHFFFAOYSA-N 1 0 401.482 2.561 20 0 HFADRO CCCOc1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000804857387 1078727325 /nfs/dbraw/zinc/72/73/25/1078727325.db2.gz CTKWWGCCQNCDIX-XMMPIXPASA-N 1 0 424.545 2.515 20 0 HFADRO C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)C[C@@H](C)O1 ZINC000804901475 1078756242 /nfs/dbraw/zinc/75/62/42/1078756242.db2.gz HHJDFUAPPWSKBE-GGPKGHCWSA-N 1 0 424.586 2.719 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000804893418 1078751441 /nfs/dbraw/zinc/75/14/41/1078751441.db2.gz CCKRCGOTFHODGR-SFHVURJKSA-N 1 0 401.429 2.646 20 0 HFADRO CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000804943849 1078770214 /nfs/dbraw/zinc/77/02/14/1078770214.db2.gz NBMASCYKFNHKTF-DZKIICNBSA-N 1 0 406.493 2.594 20 0 HFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3ccccn3)C2)CC1 ZINC000804943400 1078770576 /nfs/dbraw/zinc/77/05/76/1078770576.db2.gz HRJCMTCBRGXQCB-QUCCMNQESA-N 1 0 406.530 2.739 20 0 HFADRO Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000804944965 1078774519 /nfs/dbraw/zinc/77/45/19/1078774519.db2.gz LSYLKJSZOXEADN-ZHRRBRCNSA-N 1 0 421.545 2.620 20 0 HFADRO O=C(NCc1ccc(Cl)nc1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804933821 1078789270 /nfs/dbraw/zinc/78/92/70/1078789270.db2.gz LYHWBQCQKZFYPH-HXUWFJFHSA-N 1 0 413.953 2.837 20 0 HFADRO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000804930255 1078785833 /nfs/dbraw/zinc/78/58/33/1078785833.db2.gz CKAYPFAKRBXEQE-OAQYLSRUSA-N 1 0 416.566 2.563 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000804954667 1078795981 /nfs/dbraw/zinc/79/59/81/1078795981.db2.gz PLIYSRCBZOLKQA-RVKKMQEKSA-N 1 0 407.477 2.882 20 0 HFADRO CC[C@H]1CC([NH2+]C2CCN(CC(=O)NC)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170473963 1078853219 /nfs/dbraw/zinc/85/32/19/1078853219.db2.gz HAZWYFFJDLIFON-OALUTQOASA-N 1 0 410.603 2.743 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000805122467 1078921582 /nfs/dbraw/zinc/92/15/82/1078921582.db2.gz XUEIEIBOYCQTAC-KRWDZBQOSA-N 1 0 402.438 2.779 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000805123993 1078921947 /nfs/dbraw/zinc/92/19/47/1078921947.db2.gz DLTITIIRQPDUNZ-QGZVFWFLSA-N 1 0 402.539 2.990 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000805135299 1078933199 /nfs/dbraw/zinc/93/31/99/1078933199.db2.gz IKMHPBSTOCVOSV-YOEHRIQHSA-N 1 0 405.392 2.565 20 0 HFADRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC001130099618 1078949946 /nfs/dbraw/zinc/94/99/46/1078949946.db2.gz VRAIMLYCJUAYRE-IBGZPJMESA-N 1 0 413.543 2.604 20 0 HFADRO COC(=O)N1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000805170550 1078957721 /nfs/dbraw/zinc/95/77/21/1078957721.db2.gz HOPGRBNJOFKOPE-YLJYHZDGSA-N 1 0 402.539 2.675 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000805195945 1078969966 /nfs/dbraw/zinc/96/99/66/1078969966.db2.gz HENGMCQAVNKXCR-DEOSSOPVSA-N 1 0 408.546 2.644 20 0 HFADRO CCOC(=O)N1CC[C@H](NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000805301332 1078995934 /nfs/dbraw/zinc/99/59/34/1078995934.db2.gz LDHZHBYLDYMFAU-UGKGYDQZSA-N 1 0 400.523 2.525 20 0 HFADRO CCOc1cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1OCc1cccnc1 ZINC000747236395 1078994158 /nfs/dbraw/zinc/99/41/58/1078994158.db2.gz MJDLIPPKUGEKLK-PMACEKPBSA-N 1 0 411.502 2.652 20 0 HFADRO C[NH+](C)CCOc1cc(C(=O)N2CCCC[C@H]2CCNC(=O)OC(C)(C)C)ccn1 ZINC000805299740 1078994791 /nfs/dbraw/zinc/99/47/91/1078994791.db2.gz AGKKFVHAIZXLRL-SFHVURJKSA-N 1 0 420.554 2.932 20 0 HFADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000747235901 1079004653 /nfs/dbraw/zinc/00/46/53/1079004653.db2.gz JIFYDUTYCZJRSG-CABCVRRESA-N 1 0 412.387 2.623 20 0 HFADRO CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)C1 ZINC001130139007 1079007642 /nfs/dbraw/zinc/00/76/42/1079007642.db2.gz LOSZYXYHRCQACW-AWEZNQCLSA-N 1 0 408.568 2.512 20 0 HFADRO CNc1nc(C)cc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)n1 ZINC001130168709 1079049819 /nfs/dbraw/zinc/04/98/19/1079049819.db2.gz IHLNHDPAOUSRHD-UHFFFAOYSA-N 1 0 421.343 2.839 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1F ZINC000747239716 1079052635 /nfs/dbraw/zinc/05/26/35/1079052635.db2.gz AKJHFCSJYVPKDP-UHFFFAOYSA-N 1 0 406.479 2.687 20 0 HFADRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC000805424363 1079056451 /nfs/dbraw/zinc/05/64/51/1079056451.db2.gz YKCRTYYIDPVUHL-HNNXBMFYSA-N 1 0 423.966 2.841 20 0 HFADRO COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)N[C@@H](C)C[NH+](C)C)C(=O)OC2 ZINC000805423837 1079056825 /nfs/dbraw/zinc/05/68/25/1079056825.db2.gz YPWSZSMGONMOLE-LVOZBFFPSA-N 1 0 404.507 2.715 20 0 HFADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)C(=O)NC[C@@H]1CCC=CO1 ZINC000805433012 1079062150 /nfs/dbraw/zinc/06/21/50/1079062150.db2.gz JZGZQCZMMLHKOC-QFIPXVFZSA-N 1 0 413.562 2.646 20 0 HFADRO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000805411757 1079073341 /nfs/dbraw/zinc/07/33/41/1079073341.db2.gz YFLYPXKYYWYUHP-PMACEKPBSA-N 1 0 402.539 2.811 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000805411765 1079073371 /nfs/dbraw/zinc/07/33/71/1079073371.db2.gz YFLYPXKYYWYUHP-WOJBJXKFSA-N 1 0 402.539 2.811 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000747246889 1079122647 /nfs/dbraw/zinc/12/26/47/1079122647.db2.gz IPYWQLSIBJCVPW-KGLIPLIRSA-N 1 0 407.319 2.685 20 0 HFADRO COC(=O)/C=C\c1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc1 ZINC000747255003 1079160239 /nfs/dbraw/zinc/16/02/39/1079160239.db2.gz WZURHZOBZZOWPE-XFXZXTDPSA-N 1 0 420.506 2.764 20 0 HFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc(C(C)(C)O)cc2)C1 ZINC000805636679 1079190666 /nfs/dbraw/zinc/19/06/66/1079190666.db2.gz ZFFCCTWMNLEMDB-KRWDZBQOSA-N 1 0 403.567 2.547 20 0 HFADRO COc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001130301636 1079193832 /nfs/dbraw/zinc/19/38/32/1079193832.db2.gz SKNUCRRZLJQKTR-ROUUACIJSA-N 1 0 401.536 2.501 20 0 HFADRO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001130302056 1079194278 /nfs/dbraw/zinc/19/42/78/1079194278.db2.gz VVANAWNHQFODQA-RTWAWAEBSA-N 1 0 419.591 2.537 20 0 HFADRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)N2CCC(c3cn[nH]c3)CC2)CCCC1)c1ccccc1 ZINC000805647886 1079201334 /nfs/dbraw/zinc/20/13/34/1079201334.db2.gz XGDLDYYPNXSHEC-GOSISDBHSA-N 1 0 423.561 2.896 20 0 HFADRO CCC[N@H+](C)[C@@H](CNC(=O)N1CCN2C(=O)OCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000805752180 1079231229 /nfs/dbraw/zinc/23/12/29/1079231229.db2.gz ADYCXPWYSZTFMO-ROUUACIJSA-N 1 0 408.930 2.959 20 0 HFADRO CCOC(=O)N1CCC(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000805754181 1079231889 /nfs/dbraw/zinc/23/18/89/1079231889.db2.gz XSVZHVXFYHQTIB-UHFFFAOYSA-N 1 0 421.513 2.544 20 0 HFADRO Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000747268196 1079259202 /nfs/dbraw/zinc/25/92/02/1079259202.db2.gz BINHJISXZYKFGC-INIZCTEOSA-N 1 0 406.470 2.936 20 0 HFADRO CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000805768200 1079270389 /nfs/dbraw/zinc/27/03/89/1079270389.db2.gz UNAAQZMIPWHNJI-KNQAVFIVSA-N 1 0 409.578 2.974 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000805766070 1079267809 /nfs/dbraw/zinc/26/78/09/1079267809.db2.gz XOATWVNUDBTZGQ-SFHVURJKSA-N 1 0 418.538 2.782 20 0 HFADRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC000805766069 1079267830 /nfs/dbraw/zinc/26/78/30/1079267830.db2.gz XOATWVNUDBTZGQ-GOSISDBHSA-N 1 0 418.538 2.782 20 0 HFADRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001130370447 1079270008 /nfs/dbraw/zinc/27/00/08/1079270008.db2.gz OLWYKSSIXFLEQP-IPMKNSEASA-N 1 0 421.607 2.733 20 0 HFADRO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)ccc1F ZINC000747270584 1079277722 /nfs/dbraw/zinc/27/77/22/1079277722.db2.gz LXHFNVLKSPBSPE-HZPDHXFCSA-N 1 0 412.527 2.887 20 0 HFADRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000805822460 1079293313 /nfs/dbraw/zinc/29/33/13/1079293313.db2.gz SHVRMHOBTSSCDT-GOSISDBHSA-N 1 0 401.894 2.884 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)NCCc2cc(F)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000805824231 1079294616 /nfs/dbraw/zinc/29/46/16/1079294616.db2.gz ZETXHBYDYCIZBO-QHCPKHFHSA-N 1 0 415.484 2.652 20 0 HFADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCCC[C@@H]2COC(=O)NC2CCCCC2)cc1 ZINC000805827406 1079297769 /nfs/dbraw/zinc/29/77/69/1079297769.db2.gz QZVDQHPWKHIWTJ-LJQANCHMSA-N 1 0 423.579 2.790 20 0 HFADRO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@]2(COC)CCCN2C(=O)OC(C)(C)C)C1 ZINC000805857463 1079304683 /nfs/dbraw/zinc/30/46/83/1079304683.db2.gz CDTYWKJYSSHFSD-LAUBAEHRSA-N 1 0 412.575 2.528 20 0 HFADRO CC[N@H+](Cc1ccc(C(=O)Oc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1)C(C)C ZINC000805876575 1079317279 /nfs/dbraw/zinc/31/72/79/1079317279.db2.gz QCPHDMCRFBCMNX-FQEVSTJZSA-N 1 0 409.486 2.887 20 0 HFADRO C[NH+](C)CCOC1CCN(S(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000747276887 1079335010 /nfs/dbraw/zinc/33/50/10/1079335010.db2.gz HRSJBCOIMVCBFI-JYRVWZFOSA-N 1 0 417.369 2.792 20 0 HFADRO C[C@H](CNC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000805940794 1079343711 /nfs/dbraw/zinc/34/37/11/1079343711.db2.gz CNABHOLNDKYTDC-AUSIDOKSSA-N 1 0 423.557 2.595 20 0 HFADRO COC(=O)c1cc2cc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)c[nH]c-2n1 ZINC001170493845 1079359599 /nfs/dbraw/zinc/35/95/99/1079359599.db2.gz UEHNAHRXZFWPCX-QQFBHYJXSA-N 1 0 421.501 2.721 20 0 HFADRO Cc1nc2ccc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)cc2c(=O)o1 ZINC001170496095 1079395139 /nfs/dbraw/zinc/39/51/39/1079395139.db2.gz KGQUGNVIJDBBIF-ODIFPOPNSA-N 1 0 406.486 2.868 20 0 HFADRO Cn1ncc(CNC(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)n1 ZINC000805999717 1079396723 /nfs/dbraw/zinc/39/67/23/1079396723.db2.gz YFWZKDKQKQOHEG-UHFFFAOYSA-N 1 0 414.510 2.710 20 0 HFADRO CN(C)S(=O)(=O)c1ccccc1COC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000806000619 1079397203 /nfs/dbraw/zinc/39/72/03/1079397203.db2.gz IEFGZVDGNXANAO-UHFFFAOYSA-N 1 0 416.543 2.892 20 0 HFADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000806039699 1079410468 /nfs/dbraw/zinc/41/04/68/1079410468.db2.gz UNUXPPCIYYJJMS-AEFFLSMTSA-N 1 0 409.958 2.994 20 0 HFADRO CC(C)NC(=O)c1ccc(C(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130527146 1079436023 /nfs/dbraw/zinc/43/60/23/1079436023.db2.gz ACNLFLFFLKMBKD-PKTZIBPZSA-N 1 0 421.541 2.940 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@@H](CCNC(C)=O)C3)cc2)CC1 ZINC000806154721 1079470534 /nfs/dbraw/zinc/47/05/34/1079470534.db2.gz JGQWGVPTMNIQDS-IBGZPJMESA-N 1 0 401.555 2.599 20 0 HFADRO C[C@@H]1CCn2ncc(C(=O)Nc3ccc(OCCCN4CC[NH+](C)CC4)cc3)c2C1 ZINC001130542518 1079463326 /nfs/dbraw/zinc/46/33/26/1079463326.db2.gz XSNQFHGBHPZRNV-GOSISDBHSA-N 1 0 411.550 2.734 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000806174610 1079463603 /nfs/dbraw/zinc/46/36/03/1079463603.db2.gz ZLXBSONQVMXPAW-YTQUADARSA-N 1 0 410.580 2.925 20 0 HFADRO COCC(C)(C)CCC[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000806175493 1079464154 /nfs/dbraw/zinc/46/41/54/1079464154.db2.gz BVDRBZLVDMYXDO-HNNXBMFYSA-N 1 0 420.597 2.516 20 0 HFADRO C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc(O[C@H]4CCOC4)ccn3)cc2)CC1 ZINC001170500829 1079464501 /nfs/dbraw/zinc/46/45/01/1079464501.db2.gz PWNLFNRSFJRDMP-XFYJMZHFSA-N 1 0 410.518 2.621 20 0 HFADRO C[C@@]1(CNC(=O)C(=O)N[C@@H]2CSc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000806151831 1079467971 /nfs/dbraw/zinc/46/79/71/1079467971.db2.gz QZAWPNKGUGBNLG-XXBNENTESA-N 1 0 409.555 2.978 20 0 HFADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCC[C@@H]3COC(=O)NC)cc2)CC1 ZINC000806153350 1079469984 /nfs/dbraw/zinc/46/99/84/1079469984.db2.gz NEMCFCJCMWXGON-LJQANCHMSA-N 1 0 403.527 2.571 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000806154228 1079470457 /nfs/dbraw/zinc/47/04/57/1079470457.db2.gz BZVWABFNANOXAX-HXUWFJFHSA-N 1 0 417.554 2.961 20 0 HFADRO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CCCN(S(=O)(=O)N(C)C)C3)CC2)cc1 ZINC000806169757 1079460017 /nfs/dbraw/zinc/46/00/17/1079460017.db2.gz KFQQIUNGCATRKV-ATKRNPRHSA-N 1 0 423.623 2.801 20 0 HFADRO CN(C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806166939 1079475360 /nfs/dbraw/zinc/47/53/60/1079475360.db2.gz ZHRJODBQHOGIFO-SJPCQFCGSA-N 1 0 408.568 2.852 20 0 HFADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000806182930 1079476664 /nfs/dbraw/zinc/47/66/64/1079476664.db2.gz HNHVCGXFOHYUNI-JENIJYKNSA-N 1 0 423.579 2.733 20 0 HFADRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(-n3nccn3)nc2)[NH+](C)C)cc1 ZINC000806212401 1079496770 /nfs/dbraw/zinc/49/67/70/1079496770.db2.gz PDHKSULCNAWYHT-LJQANCHMSA-N 1 0 409.494 2.874 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000806179833 1079498926 /nfs/dbraw/zinc/49/89/26/1079498926.db2.gz WIQAJZFOCNRVBM-UAFMIMERSA-N 1 0 405.539 2.552 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000806179835 1079498983 /nfs/dbraw/zinc/49/89/83/1079498983.db2.gz WIQAJZFOCNRVBM-YSTOQKLRSA-N 1 0 405.539 2.552 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000806247436 1079501182 /nfs/dbraw/zinc/50/11/82/1079501182.db2.gz MEAZXCPKGYRYPS-IBGZPJMESA-N 1 0 423.510 2.674 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)n[nH]2)C1 ZINC000787333763 1076745534 /nfs/dbraw/zinc/74/55/34/1076745534.db2.gz BEGAIKSKRNBEEU-IRXDYDNUSA-N 1 0 417.554 2.835 20 0 HFADRO C[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)[C@@H]1c1cccc(F)c1 ZINC000746679594 1076775175 /nfs/dbraw/zinc/77/51/75/1076775175.db2.gz PXEGWWTUQYOUSU-BEFAXECRSA-N 1 0 416.497 2.885 20 0 HFADRO C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cc1 ZINC000787337898 1076783148 /nfs/dbraw/zinc/78/31/48/1076783148.db2.gz VFWZMCHUULMOQS-MRXNPFEDSA-N 1 0 401.429 2.570 20 0 HFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(OC(F)(F)Cl)cc3)CC2)CC1 ZINC000787338580 1076783570 /nfs/dbraw/zinc/78/35/70/1076783570.db2.gz HTZWELPLRFWVRB-UHFFFAOYSA-N 1 0 401.885 2.954 20 0 HFADRO CC(C)C[C@@H](CNC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)[NH+](C)C ZINC000787350052 1076790104 /nfs/dbraw/zinc/79/01/04/1076790104.db2.gz VHFSKRVHZKOOPN-HOTGVXAUSA-N 1 0 407.559 2.840 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000787352598 1076793106 /nfs/dbraw/zinc/79/31/06/1076793106.db2.gz GAKJZZVLBDIEDD-QHCPKHFHSA-N 1 0 408.502 2.934 20 0 HFADRO COC(=O)[C@@]1(NC(=O)c2ccc(NC(C)C)nc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000787428477 1076801997 /nfs/dbraw/zinc/80/19/97/1076801997.db2.gz WXXDUGGLAGUTST-HSZRJFAPSA-N 1 0 410.518 2.840 20 0 HFADRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 ZINC000787396238 1076807032 /nfs/dbraw/zinc/80/70/32/1076807032.db2.gz YAGYDGQOAZYVGU-SJORKVTESA-N 1 0 419.570 2.938 20 0 HFADRO C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1nc2ccccc2s1 ZINC000787433861 1076822296 /nfs/dbraw/zinc/82/22/96/1076822296.db2.gz RKQGEIPKSGSUMW-OAHLLOKOSA-N 1 0 423.542 2.649 20 0 HFADRO Cc1ccc(C2=CCN(C(=O)C(=O)NC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC000787434720 1076822891 /nfs/dbraw/zinc/82/28/91/1076822891.db2.gz VGFCMWCMPJBEPV-UHFFFAOYSA-N 1 0 418.541 2.787 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1C(=O)N1CCCCC1 ZINC000787471390 1076835423 /nfs/dbraw/zinc/83/54/23/1076835423.db2.gz RMNDWQAIIPAEDY-GOSISDBHSA-N 1 0 414.550 2.550 20 0 HFADRO CC(C)C[C@H](NC(=O)c1ccc(OC(F)(F)Cl)cc1)C(=O)NCC[NH+](C)C ZINC000787474799 1076835936 /nfs/dbraw/zinc/83/59/36/1076835936.db2.gz RRBBHXJHQOITBO-HNNXBMFYSA-N 1 0 405.873 2.677 20 0 HFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000787483555 1076842311 /nfs/dbraw/zinc/84/23/11/1076842311.db2.gz QWBCZXRDYVTHES-KDURUIRLSA-N 1 0 412.578 2.910 20 0 HFADRO CCN(CCC[NH+](C)C)C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000787533118 1076850937 /nfs/dbraw/zinc/85/09/37/1076850937.db2.gz NBNWGEYZVZKMJV-UHFFFAOYSA-N 1 0 422.378 2.848 20 0 HFADRO Cc1nc(COc2ccccc2C(=O)OCCCN2CC[NH+](C(C)C)CC2)no1 ZINC000787590418 1076862251 /nfs/dbraw/zinc/86/22/51/1076862251.db2.gz GWTOAFYDJWNDCB-UHFFFAOYSA-N 1 0 402.495 2.530 20 0 HFADRO CCCN(CCC[NH+](C)C)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000787576315 1076869449 /nfs/dbraw/zinc/86/94/49/1076869449.db2.gz OWBZQPDTVCAVBD-INIZCTEOSA-N 1 0 407.559 2.938 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NCc1ncc(C)c(OC)c1C)c1ccsc1 ZINC000787616133 1076879554 /nfs/dbraw/zinc/87/95/54/1076879554.db2.gz LHUAQWPEJDLISQ-GOSISDBHSA-N 1 0 418.563 2.584 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000746701281 1076880573 /nfs/dbraw/zinc/88/05/73/1076880573.db2.gz GCDAFLRVGVKIRE-NZSAHSFTSA-N 1 0 408.564 2.788 20 0 HFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000746701277 1076880631 /nfs/dbraw/zinc/88/06/31/1076880631.db2.gz GCDAFLRVGVKIRE-BHIYHBOVSA-N 1 0 408.564 2.788 20 0 HFADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]1c1cc(C)on1)c1ccsc1 ZINC000787618791 1076880949 /nfs/dbraw/zinc/88/09/49/1076880949.db2.gz YXVATGKYAGGYRK-ZWKOTPCHSA-N 1 0 404.536 2.907 20 0 HFADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000787675114 1076890060 /nfs/dbraw/zinc/89/00/60/1076890060.db2.gz XBGMVPFNPZZLSH-HKUYNNGSSA-N 1 0 421.582 2.735 20 0 HFADRO CC(C)[C@H](CNS(=O)(=O)c1cnn(Cc2ccccc2)c1)[NH+]1CCC(C)CC1 ZINC000746702018 1076906073 /nfs/dbraw/zinc/90/60/73/1076906073.db2.gz JDTUCINIQKOEKG-NRFANRHFSA-N 1 0 404.580 2.966 20 0 HFADRO COc1cccc(N2CC[NH+]([C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)c1 ZINC000787684368 1076910354 /nfs/dbraw/zinc/91/03/54/1076910354.db2.gz AAQVVZSWLLCLHS-DENIHFKCSA-N 1 0 405.539 2.578 20 0 HFADRO Cc1cccc(C[NH+]2CCN([C@H]3CN(C(=O)OC(C)(C)C)CC[C@]3(C)O)CC2)c1 ZINC000787688980 1076912580 /nfs/dbraw/zinc/91/25/80/1076912580.db2.gz QIWZGZICMFFWQV-REWPJTCUSA-N 1 0 403.567 2.873 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCC(NC(=O)c3ccsc3)CC2)C1 ZINC000787710648 1076922231 /nfs/dbraw/zinc/92/22/31/1076922231.db2.gz MUVOAMUHJZPLGW-UTKZUKDTSA-N 1 0 423.579 2.703 20 0 HFADRO CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccccc2-n2ccnc2)CCN1C(=O)OC(C)(C)C ZINC000787752649 1076927714 /nfs/dbraw/zinc/92/77/14/1076927714.db2.gz ZJWIVUNAMJOVPN-IEBWSBKVSA-N 1 0 414.506 2.903 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000787754514 1076927775 /nfs/dbraw/zinc/92/77/75/1076927775.db2.gz AAZRKKVIURQLOK-VGWMRTNUSA-N 1 0 409.493 2.779 20 0 HFADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000787760403 1076929655 /nfs/dbraw/zinc/92/96/55/1076929655.db2.gz ILLWGWQDBOEGON-JYJNAYRXSA-N 1 0 411.568 2.776 20 0 HFADRO CCOC(=O)N1CCC([NH2+][C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000787764030 1076930836 /nfs/dbraw/zinc/93/08/36/1076930836.db2.gz XFRHXWGEFMWMFN-ROUUACIJSA-N 1 0 411.543 2.611 20 0 HFADRO C[C@@H](O)c1ccc(CNC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000787740963 1076937717 /nfs/dbraw/zinc/93/77/17/1076937717.db2.gz XQLFOYVJYTWTFA-GCJKJVERSA-N 1 0 409.530 2.700 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@](C)(O)c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C ZINC000787768051 1076941401 /nfs/dbraw/zinc/94/14/01/1076941401.db2.gz XTOZYUUUHUIHIF-XGHQBKJUSA-N 1 0 410.486 2.564 20 0 HFADRO C[NH+]1CCC(n2ccc(NC(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)CC1 ZINC000787771909 1076942138 /nfs/dbraw/zinc/94/21/38/1076942138.db2.gz GJKWDKFGMJFINO-KRWDZBQOSA-N 1 0 421.542 2.504 20 0 HFADRO C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H](O)c3cc(F)cc(Cl)c3)c2)CC1 ZINC000787833921 1076957485 /nfs/dbraw/zinc/95/74/85/1076957485.db2.gz OHYXWZQWBJQZLP-HXUWFJFHSA-N 1 0 405.901 2.690 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c1 ZINC000787883605 1076976172 /nfs/dbraw/zinc/97/61/72/1076976172.db2.gz KPQHEYWGTAWJRU-UHFFFAOYSA-N 1 0 422.957 2.912 20 0 HFADRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000787885190 1076977558 /nfs/dbraw/zinc/97/75/58/1076977558.db2.gz HMXDPLFBJKBEEX-NRFANRHFSA-N 1 0 422.529 2.697 20 0 HFADRO C[N@H+](CCOc1cccc(CNC(=O)c2cnc(Cl)cn2)c1)C1CCOCC1 ZINC000787886209 1076978030 /nfs/dbraw/zinc/97/80/30/1076978030.db2.gz KDISJWYEKNESPN-UHFFFAOYSA-N 1 0 404.898 2.550 20 0 HFADRO Cc1cnc(Cl)c(NC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000787891245 1076980111 /nfs/dbraw/zinc/98/01/11/1076980111.db2.gz WWFCZWRGXZZPIE-AWEZNQCLSA-N 1 0 401.898 2.719 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000787893150 1076981079 /nfs/dbraw/zinc/98/10/79/1076981079.db2.gz CGRXCXNHBRRDTM-OAQYLSRUSA-N 1 0 403.567 2.505 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000746708846 1076983335 /nfs/dbraw/zinc/98/33/35/1076983335.db2.gz CDAQQINWZDYLCP-OAHLLOKOSA-N 1 0 423.608 2.645 20 0 HFADRO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000787907815 1076990365 /nfs/dbraw/zinc/99/03/65/1076990365.db2.gz BAUWNILEXGFTRD-HSALFYBXSA-N 1 0 403.567 2.753 20 0 HFADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000787908074 1076990387 /nfs/dbraw/zinc/99/03/87/1076990387.db2.gz GWXVZNBERCJXJO-DENIHFKCSA-N 1 0 415.578 2.899 20 0 HFADRO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000787913634 1076992725 /nfs/dbraw/zinc/99/27/25/1076992725.db2.gz WVNQQFMUVZMEBF-PZJWPPBQSA-N 1 0 403.567 2.505 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000787901299 1077004673 /nfs/dbraw/zinc/00/46/73/1077004673.db2.gz BMMGHQJRHBGLHH-GUDVDZBRSA-N 1 0 421.607 2.933 20 0 HFADRO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000787950041 1077006326 /nfs/dbraw/zinc/00/63/26/1077006326.db2.gz DTBKCYPUDHLPKG-SYYKKAFVSA-N 1 0 409.530 2.840 20 0 HFADRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000787994199 1077021817 /nfs/dbraw/zinc/02/18/17/1077021817.db2.gz ACCRGWOXMXQZKP-OIISXLGYSA-N 1 0 414.474 2.559 20 0 HFADRO C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000787999003 1077023979 /nfs/dbraw/zinc/02/39/79/1077023979.db2.gz GWUGTJYFLAERPI-VQIMIIECSA-N 1 0 402.539 2.808 20 0 HFADRO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1C ZINC000788002391 1077025002 /nfs/dbraw/zinc/02/50/02/1077025002.db2.gz BPTUGDBJFZVRJQ-LJQANCHMSA-N 1 0 422.566 2.703 20 0 HFADRO Cc1nn(C)c(Cl)c1CN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000788005974 1077026962 /nfs/dbraw/zinc/02/69/62/1077026962.db2.gz KMTDOEYBCFAAOS-KRWDZBQOSA-N 1 0 417.985 2.983 20 0 HFADRO COc1ccc(OC)c2c1CN(C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C[C@H]2O ZINC000788011478 1077027860 /nfs/dbraw/zinc/02/78/60/1077027860.db2.gz JSYXXIGZMYWWKM-PZJWPPBQSA-N 1 0 412.530 2.844 20 0 HFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC000788038388 1077036253 /nfs/dbraw/zinc/03/62/53/1077036253.db2.gz BAOPGWZAPLMMDH-ZHRRBRCNSA-N 1 0 400.450 2.883 20 0 HFADRO C[NH+](C)[C@H]1CCCN(CN2C(=O)C(=O)c3c2ccc(Br)c3Cl)C1 ZINC000788047028 1077041121 /nfs/dbraw/zinc/04/11/21/1077041121.db2.gz ODLHILXIQLEMIE-JTQLQIEISA-N 1 0 400.704 2.615 20 0 HFADRO Cc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1N1CCOC1=O ZINC000746732387 1077073135 /nfs/dbraw/zinc/07/31/35/1077073135.db2.gz IDTHGIJEYVVXRS-GOSISDBHSA-N 1 0 402.495 2.717 20 0 HFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)C1 ZINC000746734487 1077080087 /nfs/dbraw/zinc/08/00/87/1077080087.db2.gz YVCDFIRVCZRQPQ-GOSISDBHSA-N 1 0 404.511 2.916 20 0 HFADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788281905 1077097060 /nfs/dbraw/zinc/09/70/60/1077097060.db2.gz GXSDDHPANJPXEW-MRXNPFEDSA-N 1 0 402.539 2.665 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000746742956 1077114940 /nfs/dbraw/zinc/11/49/40/1077114940.db2.gz ATJMEXGJWNORGU-LSDHHAIUSA-N 1 0 401.442 2.738 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCCSC(C)(C)C ZINC000788363810 1077126752 /nfs/dbraw/zinc/12/67/52/1077126752.db2.gz LIGKJZCYZJODQR-UHFFFAOYSA-N 1 0 401.523 2.503 20 0 HFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000788476483 1077172486 /nfs/dbraw/zinc/17/24/86/1077172486.db2.gz QBTABQNWFIHBRS-RTBURBONSA-N 1 0 410.603 2.556 20 0 HFADRO CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CCN1C(=O)OC(C)(C)C ZINC000788505060 1077184810 /nfs/dbraw/zinc/18/48/10/1077184810.db2.gz RGKHHXMJBHHACC-ZOBUZTSGSA-N 1 0 411.568 2.882 20 0 HFADRO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000788505817 1077185513 /nfs/dbraw/zinc/18/55/13/1077185513.db2.gz UFZFWRTVEIIPSN-AQNXPRMDSA-N 1 0 417.550 2.792 20 0 HFADRO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(Br)ccc1F ZINC000788540485 1077194414 /nfs/dbraw/zinc/19/44/14/1077194414.db2.gz RWWWMRRQMQOHIX-ZDUSSCGKSA-N 1 0 408.319 2.981 20 0 HFADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788543302 1077194654 /nfs/dbraw/zinc/19/46/54/1077194654.db2.gz STNYKLRNVKYDMN-MRXNPFEDSA-N 1 0 417.497 2.726 20 0 HFADRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000788552108 1077197784 /nfs/dbraw/zinc/19/77/84/1077197784.db2.gz ZKUDCOQALHLMBJ-UHFFFAOYSA-N 1 0 417.369 2.801 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000788564824 1077202051 /nfs/dbraw/zinc/20/20/51/1077202051.db2.gz TZGBTHISCCKFHN-SOLBZPMBSA-N 1 0 422.522 2.780 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000788599249 1077218523 /nfs/dbraw/zinc/21/85/23/1077218523.db2.gz RGHCYZKSSSBNAR-KRWDZBQOSA-N 1 0 411.568 2.674 20 0 HFADRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000788599194 1077218571 /nfs/dbraw/zinc/21/85/71/1077218571.db2.gz QTUPRJLYFSXMEQ-HNNXBMFYSA-N 1 0 403.504 2.744 20 0 HFADRO C[C@@H](CNC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)C[NH+]1CCCCC1 ZINC000788645192 1077223148 /nfs/dbraw/zinc/22/31/48/1077223148.db2.gz NMACRACPZMDNPY-DZFGPLHGSA-N 1 0 424.545 2.817 20 0 HFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000788648862 1077225082 /nfs/dbraw/zinc/22/50/82/1077225082.db2.gz NOQXKSBAPWKSBK-OWCLPIDISA-N 1 0 410.559 2.529 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000788611550 1077227193 /nfs/dbraw/zinc/22/71/93/1077227193.db2.gz XCJJNLOICKOOEG-QGZVFWFLSA-N 1 0 411.568 2.768 20 0 HFADRO O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[NH+]2CCC1CC2)OCc1ccccc1 ZINC000788620947 1077231458 /nfs/dbraw/zinc/23/14/58/1077231458.db2.gz JLYGBKIQBWYEHI-JOCHJYFZSA-N 1 0 407.514 2.831 20 0 HFADRO CCc1ccc([C@@H](CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC000788621760 1077232137 /nfs/dbraw/zinc/23/21/37/1077232137.db2.gz VUPSVLFLUZCKHJ-IEBWSBKVSA-N 1 0 418.538 2.638 20 0 HFADRO CCc1ccc([C@H](CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC000788621761 1077232191 /nfs/dbraw/zinc/23/21/91/1077232191.db2.gz VUPSVLFLUZCKHJ-MJGOQNOKSA-N 1 0 418.538 2.638 20 0 HFADRO COC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)cc1 ZINC000790924238 1077233840 /nfs/dbraw/zinc/23/38/40/1077233840.db2.gz IHOIDSQNFWKKDF-UHFFFAOYSA-N 1 0 421.519 2.626 20 0 HFADRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H](O)c3ccccc3F)cc2)CC1 ZINC000790927967 1077236170 /nfs/dbraw/zinc/23/61/70/1077236170.db2.gz UVXZXJUSENTNCX-OAQYLSRUSA-N 1 0 401.482 2.832 20 0 HFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788636386 1077239848 /nfs/dbraw/zinc/23/98/48/1077239848.db2.gz GUYZLBWNLCEZEH-AHRSYUTCSA-N 1 0 410.518 2.569 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@@H](C)C1 ZINC000788634458 1077239917 /nfs/dbraw/zinc/23/99/17/1077239917.db2.gz JYRVIDDYPJQETN-JQWIXIFHSA-N 1 0 408.973 2.847 20 0 HFADRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788636389 1077240310 /nfs/dbraw/zinc/24/03/10/1077240310.db2.gz GUYZLBWNLCEZEH-NSISKUIASA-N 1 0 410.518 2.569 20 0 HFADRO Clc1ccc2c(n1)[C@@H]([NH2+][C@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)CC2 ZINC000788637951 1077242217 /nfs/dbraw/zinc/24/22/17/1077242217.db2.gz CUHHGESKRYUUQD-IRXDYDNUSA-N 1 0 414.941 2.608 20 0 HFADRO CN(CC(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000788640224 1077242771 /nfs/dbraw/zinc/24/27/71/1077242771.db2.gz GBGXSXRFRNDGOB-UHFFFAOYSA-N 1 0 413.584 2.920 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000788672521 1077245466 /nfs/dbraw/zinc/24/54/66/1077245466.db2.gz RQAPDEXIJJVSBN-UHFFFAOYSA-N 1 0 409.552 2.594 20 0 HFADRO CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788686224 1077250188 /nfs/dbraw/zinc/25/01/88/1077250188.db2.gz YSKNRSRFYGNHCK-QZTJIDSGSA-N 1 0 400.548 2.793 20 0 HFADRO CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788686225 1077250288 /nfs/dbraw/zinc/25/02/88/1077250288.db2.gz YSKNRSRFYGNHCK-ROUUACIJSA-N 1 0 400.548 2.793 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)C1 ZINC000746757199 1077253052 /nfs/dbraw/zinc/25/30/52/1077253052.db2.gz UBHXNGJZKOOWMD-NRFANRHFSA-N 1 0 416.566 2.846 20 0 HFADRO COc1cc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)ccc1OCC(=O)N(C)C ZINC000788653471 1077253943 /nfs/dbraw/zinc/25/39/43/1077253943.db2.gz WZPKXZRCMUBFLG-HNNXBMFYSA-N 1 0 421.538 2.507 20 0 HFADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3=NO[C@H](CNC(=O)OC(C)(C)C)C3)C2)CC1 ZINC000788656421 1077254504 /nfs/dbraw/zinc/25/45/04/1077254504.db2.gz PIXMIEVFYGCGFP-ROUUACIJSA-N 1 0 422.570 2.627 20 0 HFADRO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000788657522 1077255900 /nfs/dbraw/zinc/25/59/00/1077255900.db2.gz FXIZSGPHUOUTKA-IOMROCGXSA-N 1 0 422.529 2.523 20 0 HFADRO C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC000788660076 1077256556 /nfs/dbraw/zinc/25/65/56/1077256556.db2.gz AEJHJGURASDAFB-HOTGVXAUSA-N 1 0 411.568 2.767 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000790967428 1077257370 /nfs/dbraw/zinc/25/73/70/1077257370.db2.gz FPZWVOZUVDGWFP-FQEVSTJZSA-N 1 0 410.518 2.836 20 0 HFADRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)Cn3cc(Br)ccc3=O)C2=O)cc1 ZINC000788665479 1077259763 /nfs/dbraw/zinc/25/97/63/1077259763.db2.gz ODROMDOKJROPDE-WMLDXEAASA-N 1 0 404.308 2.703 20 0 HFADRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)C1CC1 ZINC000788672245 1077262396 /nfs/dbraw/zinc/26/23/96/1077262396.db2.gz PJDYFMRDCLUZJA-KZNAEPCWSA-N 1 0 415.600 2.568 20 0 HFADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788711300 1077267630 /nfs/dbraw/zinc/26/76/30/1077267630.db2.gz KZBLRKLTRYODLN-VQTJNVASSA-N 1 0 401.938 2.790 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000790975299 1077268538 /nfs/dbraw/zinc/26/85/38/1077268538.db2.gz OWXYQIUSUFWDAG-IBGZPJMESA-N 1 0 420.517 2.596 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 ZINC000788714707 1077268945 /nfs/dbraw/zinc/26/89/45/1077268945.db2.gz HBJJQGDXNNKDBV-SFHLNBCPSA-N 1 0 400.567 2.797 20 0 HFADRO CN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788715139 1077268960 /nfs/dbraw/zinc/26/89/60/1077268960.db2.gz SENMGVSDFGIXJE-HSZRJFAPSA-N 1 0 420.557 2.877 20 0 HFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788751393 1077276121 /nfs/dbraw/zinc/27/61/21/1077276121.db2.gz YBKJHMDOVIMGLU-HDAAZOAOSA-N 1 0 400.567 2.795 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000788751362 1077276174 /nfs/dbraw/zinc/27/61/74/1077276174.db2.gz VYUACYIGGKAVMY-MRXNPFEDSA-N 1 0 409.596 2.721 20 0 HFADRO CN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788764879 1077281464 /nfs/dbraw/zinc/28/14/64/1077281464.db2.gz GJFHPUYIKORGIS-OAQYLSRUSA-N 1 0 424.545 2.570 20 0 HFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788767078 1077281930 /nfs/dbraw/zinc/28/19/30/1077281930.db2.gz XEIHVFQNNNHPCN-GOSISDBHSA-N 1 0 405.514 2.973 20 0 HFADRO C[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)[N@@H+]1CCc2ccccc2C1 ZINC000788730579 1077284314 /nfs/dbraw/zinc/28/43/14/1077284314.db2.gz APAUPROPDZXRKB-XXBNENTESA-N 1 0 420.557 2.876 20 0 HFADRO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788749109 1077289750 /nfs/dbraw/zinc/28/97/50/1077289750.db2.gz CJFZOCNSDSRVMZ-HNNXBMFYSA-N 1 0 409.552 2.572 20 0 HFADRO Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3cccc(NS(C)(=O)=O)c3)C2=O)c(C)c1 ZINC000788804385 1077293083 /nfs/dbraw/zinc/29/30/83/1077293083.db2.gz UCTUILYSQPPISB-IBGZPJMESA-N 1 0 401.532 2.878 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000788777738 1077298599 /nfs/dbraw/zinc/29/85/99/1077298599.db2.gz LORQLLKQQVDNQV-BZUAXINKSA-N 1 0 413.349 2.735 20 0 HFADRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000788779382 1077299027 /nfs/dbraw/zinc/29/90/27/1077299027.db2.gz CIEFLJJYMMRAKG-KRWDZBQOSA-N 1 0 403.523 2.500 20 0 HFADRO Nc1nc(N2CCC[C@@H](OC(=O)c3nn(-c4ccccc4)c4c3CCC4)C2)cc[nH+]1 ZINC000791106008 1077300254 /nfs/dbraw/zinc/30/02/54/1077300254.db2.gz HBFIBJLHYHNMIO-MRXNPFEDSA-N 1 0 404.474 2.559 20 0 HFADRO COc1cccc(-c2nc(C(=O)O[C@H]3CCCN(c4cc[nH+]c(N)n4)C3)c(C)[nH]2)c1 ZINC000791105860 1077300280 /nfs/dbraw/zinc/30/02/80/1077300280.db2.gz FDOFYDDWPPXNPL-INIZCTEOSA-N 1 0 408.462 2.592 20 0 HFADRO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3CCN(Cc4ccc(F)cc4)C3=O)C2)C1 ZINC000788784308 1077301236 /nfs/dbraw/zinc/30/12/36/1077301236.db2.gz QLGFSSHDTYASJB-GOSISDBHSA-N 1 0 403.498 2.916 20 0 HFADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1cnn(C)c1 ZINC000791148099 1077308533 /nfs/dbraw/zinc/30/85/33/1077308533.db2.gz ZXUFUUHSTGQQLF-SJORKVTESA-N 1 0 407.559 2.565 20 0 HFADRO CC(C)(C)C(=O)Nc1ccnc(NCCOC(F)(F)F)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001157391367 1077315280 /nfs/dbraw/zinc/31/52/80/1077315280.db2.gz ZBPKPISICVZRQL-CYBMUJFWSA-N 1 0 418.460 2.829 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000788851078 1077320144 /nfs/dbraw/zinc/32/01/44/1077320144.db2.gz SKASYAWTXVXUFX-PXNSSMCTSA-N 1 0 418.538 2.702 20 0 HFADRO O=C(NCCCC[NH+]1CCOCC1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788867088 1077324568 /nfs/dbraw/zinc/32/45/68/1077324568.db2.gz RJJKCNRMOQWJCS-UHFFFAOYSA-N 1 0 410.946 2.648 20 0 HFADRO Cc1c(Cl)c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)sc1S(N)(=O)=O ZINC000791214235 1077347114 /nfs/dbraw/zinc/34/71/14/1077347114.db2.gz BWAVPHKYHAEHRP-CYBMUJFWSA-N 1 0 415.968 2.698 20 0 HFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000746773988 1077347594 /nfs/dbraw/zinc/34/75/94/1077347594.db2.gz XUVFSDWSKZDFQA-LEWJYISDSA-N 1 0 416.566 2.633 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3cc(N4CCCC4)ncn3)nc3ccc(C)cc3n12 ZINC001170151937 1077351817 /nfs/dbraw/zinc/35/18/17/1077351817.db2.gz PPRGLQFOUXVXLI-UHFFFAOYSA-N 1 0 402.506 2.986 20 0 HFADRO O=C1OCc2ccc(S(=O)(=O)N[C@H](C[NH+]3CCCCC3)c3ccccc3)cc21 ZINC000788914946 1077353071 /nfs/dbraw/zinc/35/30/71/1077353071.db2.gz CGESQXUEFVFJNL-HXUWFJFHSA-N 1 0 400.500 2.863 20 0 HFADRO COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000788915914 1077353880 /nfs/dbraw/zinc/35/38/80/1077353880.db2.gz MRNOGROOXLBWRO-KUHUBIRLSA-N 1 0 408.495 2.890 20 0 HFADRO Cc1cnc2c(N(CC[NH3+])c3ccc(C(=O)NC(C)C)nn3)nc3ccc(C)cc3n12 ZINC001170152811 1077371049 /nfs/dbraw/zinc/37/10/49/1077371049.db2.gz YFQYNBMQXFFZPE-UHFFFAOYSA-N 1 0 418.505 2.524 20 0 HFADRO COC(=O)[C@@]1(NC(=O)C[C@@H](O)c2cccc(F)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000772771928 1077372242 /nfs/dbraw/zinc/37/22/42/1077372242.db2.gz DOMYXTYTMLUSQT-NFBKMPQASA-N 1 0 414.477 2.573 20 0 HFADRO Cc1cc(C)c(N2CC[C@H](NC(=O)N3CCN(c4cc[nH+]cc4)CC3)C2=O)c(C)c1 ZINC000788944506 1077373081 /nfs/dbraw/zinc/37/30/81/1077373081.db2.gz QRXNOHNRSJSVQE-FQEVSTJZSA-N 1 0 407.518 2.644 20 0 HFADRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000791326134 1077374623 /nfs/dbraw/zinc/37/46/23/1077374623.db2.gz JMCHZQWUGFUBOQ-LJQANCHMSA-N 1 0 400.429 2.634 20 0 HFADRO O=C(COC(=O)c1cccnc1F)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000789006123 1077379796 /nfs/dbraw/zinc/37/97/96/1077379796.db2.gz GDGKRBIDNKBQJI-QGZVFWFLSA-N 1 0 405.857 2.984 20 0 HFADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2cc(C(C)C)nn2C)CC1 ZINC000747005662 1077387552 /nfs/dbraw/zinc/38/75/52/1077387552.db2.gz IWDMALLDIKRIFZ-UHFFFAOYSA-N 1 0 412.534 2.790 20 0 HFADRO O=C(Cc1cccnc1Br)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000791388827 1077396555 /nfs/dbraw/zinc/39/65/55/1077396555.db2.gz BTZVSTUTEOTOGX-UHFFFAOYSA-N 1 0 404.308 2.982 20 0 HFADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3c[nH]nc3-c3ccoc3)CC2)cc1 ZINC000789075345 1077397493 /nfs/dbraw/zinc/39/74/93/1077397493.db2.gz BIJQQFYXRYEWJA-UHFFFAOYSA-N 1 0 422.485 2.869 20 0 HFADRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000746788364 1077410593 /nfs/dbraw/zinc/41/05/93/1077410593.db2.gz PJKRVUXPLXTRRZ-UHFFFAOYSA-N 1 0 407.383 2.901 20 0 HFADRO CCOC(=O)c1c2c(sc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)CCC2 ZINC000746788166 1077412036 /nfs/dbraw/zinc/41/20/36/1077412036.db2.gz NPKMKJYHFZFMFH-UHFFFAOYSA-N 1 0 421.563 2.731 20 0 HFADRO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3cc(C(C)C)n(C)n3)CC2)cc1 ZINC000747011927 1077417515 /nfs/dbraw/zinc/41/75/15/1077417515.db2.gz KCHWJYODOHLYRO-UHFFFAOYSA-N 1 0 412.534 2.743 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C2)c1 ZINC000791471061 1077442945 /nfs/dbraw/zinc/44/29/45/1077442945.db2.gz LFLHHBYTBUQGKH-RXVVDRJESA-N 1 0 413.474 2.743 20 0 HFADRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC000791470308 1077443710 /nfs/dbraw/zinc/44/37/10/1077443710.db2.gz SZTCWOSBMFWDLX-FGZHOGPDSA-N 1 0 422.529 2.506 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1N1CCOC1=O ZINC000746790076 1077462392 /nfs/dbraw/zinc/46/23/92/1077462392.db2.gz RMKIQWHVVDFUEH-OYHNWAKOSA-N 1 0 416.522 2.517 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3C[C@@H]([NH+](C)C)Cc4ccccc43)C2)c1 ZINC000791584050 1077472053 /nfs/dbraw/zinc/47/20/53/1077472053.db2.gz MOCXVQUQKYBDDW-KSFYIVLOSA-N 1 0 409.486 2.716 20 0 HFADRO C[C@@H](OC(=O)c1cn(C)nc1-c1ccoc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789262343 1077487683 /nfs/dbraw/zinc/48/76/83/1077487683.db2.gz UMAPVCRMZDMAGM-APWZRJJASA-N 1 0 422.485 2.616 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)C2)c1 ZINC000791623493 1077491328 /nfs/dbraw/zinc/49/13/28/1077491328.db2.gz MKJPCHGPRARGCM-XFQAVAEZSA-N 1 0 401.507 2.671 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000791596145 1077496778 /nfs/dbraw/zinc/49/67/78/1077496778.db2.gz YTEDWRUSHCZFFC-FDDCHVKYSA-N 1 0 423.513 2.978 20 0 HFADRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cn1 ZINC001086600277 1077506139 /nfs/dbraw/zinc/50/61/39/1077506139.db2.gz LIPPVCCPPPEXQC-CJIGKZKRSA-N 1 0 419.525 2.598 20 0 HFADRO C[C@H](OC(=O)[C@@H]1CC(=O)c2ccccc21)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000789306126 1077507915 /nfs/dbraw/zinc/50/79/15/1077507915.db2.gz CAMXWZFYSWJMLA-YRISNDGFSA-N 1 0 406.482 2.679 20 0 HFADRO CSCc1nc2ccccc2n1CC(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791629314 1077519094 /nfs/dbraw/zinc/51/90/94/1077519094.db2.gz NSAPMJPXLSCMPX-UHFFFAOYSA-N 1 0 404.580 2.859 20 0 HFADRO C[NH+](C)CCOc1cc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)ccn1 ZINC000791679004 1077525896 /nfs/dbraw/zinc/52/58/96/1077525896.db2.gz WSVNEPBIXPRBEO-UHFFFAOYSA-N 1 0 415.494 2.945 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000791682479 1077526737 /nfs/dbraw/zinc/52/67/37/1077526737.db2.gz SAPXMFHSSUKXFK-UHFFFAOYSA-N 1 0 422.469 2.553 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)C2)c1 ZINC000791690438 1077529141 /nfs/dbraw/zinc/52/91/41/1077529141.db2.gz OBPLPPWWJGACSN-OPAMFIHVSA-N 1 0 411.502 2.834 20 0 HFADRO COc1nc(Br)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000789387684 1077532928 /nfs/dbraw/zinc/53/29/28/1077532928.db2.gz OGVOKYUFPRABFN-UHFFFAOYSA-N 1 0 408.300 2.843 20 0 HFADRO Cn1ncc(C(=O)C(C(=S)Nc2ccccc2Cl)[n+]2cccc(CO)c2)n1 ZINC000789393896 1077535825 /nfs/dbraw/zinc/53/58/25/1077535825.db2.gz PYENCYCDECOQON-UHFFFAOYSA-O 1 0 402.887 2.572 20 0 HFADRO COc1ccc(C)cc1CNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000789393312 1077536216 /nfs/dbraw/zinc/53/62/16/1077536216.db2.gz OMSYVWFOIZHWBD-DEOSSOPVSA-N 1 0 409.530 2.648 20 0 HFADRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 ZINC000791715560 1077536766 /nfs/dbraw/zinc/53/67/66/1077536766.db2.gz RKCVDHZTATWOKZ-MRXNPFEDSA-N 1 0 423.583 2.789 20 0 HFADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000791718018 1077537817 /nfs/dbraw/zinc/53/78/17/1077537817.db2.gz KLJJRJMJIYQJJJ-HNOPTGFJSA-N 1 0 408.481 2.926 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000789361688 1077538174 /nfs/dbraw/zinc/53/81/74/1077538174.db2.gz CALLSRJZZICHTI-OAHLLOKOSA-N 1 0 400.479 2.501 20 0 HFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCc3cccnc3)cc2)C1 ZINC000746804617 1077546414 /nfs/dbraw/zinc/54/64/14/1077546414.db2.gz XBWCENZTMHSBGW-FQEVSTJZSA-N 1 0 422.529 2.789 20 0 HFADRO COC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000789381131 1077548125 /nfs/dbraw/zinc/54/81/25/1077548125.db2.gz CKZGIEAZHCVIBL-NOLJZWGESA-N 1 0 408.720 2.626 20 0 HFADRO CCn1cc(NC(=S)C(C(=O)c2cnn(C)n2)[n+]2ccc(C(C)(C)C)cc2)cn1 ZINC000789401805 1077559917 /nfs/dbraw/zinc/55/99/17/1077559917.db2.gz NOFQOQIULKGGJH-UHFFFAOYSA-O 1 0 412.543 2.940 20 0 HFADRO Cc1ccc(OC[C@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000789404882 1077562075 /nfs/dbraw/zinc/56/20/75/1077562075.db2.gz KECDMHMXNYBKTK-JXFKEZNVSA-N 1 0 411.502 2.902 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000791821755 1077562650 /nfs/dbraw/zinc/56/26/50/1077562650.db2.gz DHBOGDCSUWYIKE-JPYJTQIMSA-N 1 0 423.513 2.835 20 0 HFADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000791829122 1077576661 /nfs/dbraw/zinc/57/66/61/1077576661.db2.gz VFMBEPPFVHMJOX-BOURKTIISA-N 1 0 420.492 2.757 20 0 HFADRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000791828680 1077576884 /nfs/dbraw/zinc/57/68/84/1077576884.db2.gz OLUOFRYQFHNOSM-INIZCTEOSA-N 1 0 406.935 2.995 20 0 HFADRO Cc1ccc(CN2CC[C@@H](NC(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000791877829 1077595981 /nfs/dbraw/zinc/59/59/81/1077595981.db2.gz HHVSEPUUDZCSKF-UQNNOOFXSA-N 1 0 421.541 2.866 20 0 HFADRO Cc1ccc(CN2CC[C@H](NC(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000791877832 1077596060 /nfs/dbraw/zinc/59/60/60/1077596060.db2.gz HHVSEPUUDZCSKF-YYVWFHOOSA-N 1 0 421.541 2.866 20 0 HFADRO Cc1c(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cccc1NC(=O)N(C)C ZINC000791913576 1077607942 /nfs/dbraw/zinc/60/79/42/1077607942.db2.gz JAJKXPKDHNCTHG-QGZVFWFLSA-N 1 0 403.527 2.853 20 0 HFADRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000791979404 1077620027 /nfs/dbraw/zinc/62/00/27/1077620027.db2.gz DNCPUDKZYQNFSU-ICSRJNTNSA-N 1 0 424.545 2.726 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000792057013 1077664067 /nfs/dbraw/zinc/66/40/67/1077664067.db2.gz LSUGZUSFBOGVRX-MBSDFSHPSA-N 1 0 423.513 2.978 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)c1 ZINC000792059143 1077666125 /nfs/dbraw/zinc/66/61/25/1077666125.db2.gz XINRGIFVCXADBY-ZOCZFRKYSA-N 1 0 403.523 2.681 20 0 HFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000789558809 1077676496 /nfs/dbraw/zinc/67/64/96/1077676496.db2.gz VXUUENFHHBZXAJ-UHFFFAOYSA-N 1 0 409.530 2.972 20 0 HFADRO NC(=O)C1=NO[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)C1 ZINC000789559776 1077678592 /nfs/dbraw/zinc/67/85/92/1077678592.db2.gz CFGVTDQPJAYUHT-SFHVURJKSA-N 1 0 409.877 2.913 20 0 HFADRO CN(CCNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(=O)OC(C)(C)C ZINC000792073583 1077680233 /nfs/dbraw/zinc/68/02/33/1077680233.db2.gz FRALYZWRKAZGDX-UHFFFAOYSA-N 1 0 422.492 2.958 20 0 HFADRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1C ZINC000789562244 1077680801 /nfs/dbraw/zinc/68/08/01/1077680801.db2.gz WNXKPSUDUSVUEH-OAQYLSRUSA-N 1 0 417.513 2.935 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000792074546 1077681530 /nfs/dbraw/zinc/68/15/30/1077681530.db2.gz JDDTZNWXFLLLKV-VWPFQQQWSA-N 1 0 412.303 2.607 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)C2)c1 ZINC000792035194 1077686768 /nfs/dbraw/zinc/68/67/68/1077686768.db2.gz XSUGUBFSCXQGQL-QHCPKHFHSA-N 1 0 423.513 2.931 20 0 HFADRO CCOC[C@H](NC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000789610269 1077707679 /nfs/dbraw/zinc/70/76/79/1077707679.db2.gz SMUOUNVHSSPYAP-NRFANRHFSA-N 1 0 418.582 2.580 20 0 HFADRO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000789630967 1077710757 /nfs/dbraw/zinc/71/07/57/1077710757.db2.gz RFRSBEKCGUAXNS-UIAACRFSSA-N 1 0 411.502 2.639 20 0 HFADRO COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=[NH2+])NOCC(=O)NC2CCCC2)cc1 ZINC000789633106 1077712135 /nfs/dbraw/zinc/71/21/35/1077712135.db2.gz PEWXKJSAGPAJFJ-SFHVURJKSA-N 1 0 420.510 2.818 20 0 HFADRO COc1cccc(C2=NO[C@@H](C(=O)N(C)C3CC[NH+](CCc4ccccn4)CC3)C2)c1 ZINC000792119195 1077713097 /nfs/dbraw/zinc/71/30/97/1077713097.db2.gz LVSJNSSGJSYSDH-HSZRJFAPSA-N 1 0 422.529 2.749 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@@H](c3ccc(C)cc3)[NH+](C)C)C2)c1 ZINC000792096911 1077713765 /nfs/dbraw/zinc/71/37/65/1077713765.db2.gz LATQJVHWUPQBHE-UNMCSNQZSA-N 1 0 411.502 2.924 20 0 HFADRO O=C(NCc1nnc(-c2ccccc2)[nH]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792097818 1077713806 /nfs/dbraw/zinc/71/38/06/1077713806.db2.gz DUEDRIGOUNJLAH-BGYRXZFFSA-N 1 0 402.502 2.745 20 0 HFADRO CC(C)(C)OC(=O)N1CC(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000792124959 1077714838 /nfs/dbraw/zinc/71/48/38/1077714838.db2.gz CYNZNQGSFIIHAY-UHFFFAOYSA-N 1 0 420.476 2.710 20 0 HFADRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000796653148 1077721217 /nfs/dbraw/zinc/72/12/17/1077721217.db2.gz QABLPCBFSHCIEG-BIENJYKASA-N 1 0 405.495 2.977 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)c2c(N)ccc(Br)c2F)CC1 ZINC000792159383 1077726197 /nfs/dbraw/zinc/72/61/97/1077726197.db2.gz XMUPRHTUAUJYGX-UHFFFAOYSA-N 1 0 402.308 2.743 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)cccc21 ZINC000789692344 1077730012 /nfs/dbraw/zinc/73/00/12/1077730012.db2.gz SGUXKUPEXLIHJI-YFHUEUNASA-N 1 0 421.588 2.506 20 0 HFADRO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(CC(C)C)C3CC[NH+](C)CC3)C2)c1 ZINC000792170472 1077733340 /nfs/dbraw/zinc/73/33/40/1077733340.db2.gz LDJAASYAHQPZER-OAQYLSRUSA-N 1 0 403.523 2.776 20 0 HFADRO CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000792182997 1077737668 /nfs/dbraw/zinc/73/76/68/1077737668.db2.gz KRQUGZOWKCIJJX-NRFANRHFSA-N 1 0 417.550 2.604 20 0 HFADRO COc1cc(Br)c(N)c(C(=O)OCCCN2CC[NH+](C(C)C)CC2)c1 ZINC000792187096 1077738579 /nfs/dbraw/zinc/73/85/79/1077738579.db2.gz DLYHYJUABHMZCZ-UHFFFAOYSA-N 1 0 414.344 2.613 20 0 HFADRO CS(=O)(=O)c1cccc(C(=O)COC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000792204207 1077745240 /nfs/dbraw/zinc/74/52/40/1077745240.db2.gz PMJFXXHCPUPZNM-UHFFFAOYSA-N 1 0 401.484 2.726 20 0 HFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N1CCC(c2ccccc2)CC1 ZINC000789705253 1077745994 /nfs/dbraw/zinc/74/59/94/1077745994.db2.gz AXFBLUVTZMELEC-UHFFFAOYSA-N 1 0 415.603 2.870 20 0 HFADRO CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000792230643 1077754070 /nfs/dbraw/zinc/75/40/70/1077754070.db2.gz NQKGUPJIQGEXDR-DHIUTWEWSA-N 1 0 420.557 2.951 20 0 HFADRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](C[C@@H]4CC5(CCC5)C(=O)O4)CC3)cc2NC1=O ZINC000792247909 1077763424 /nfs/dbraw/zinc/76/34/24/1077763424.db2.gz MVUFZJMDSJIACZ-YOEHRIQHSA-N 1 0 412.486 2.787 20 0 HFADRO COc1ccc([C@@H](O)CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000792280646 1077773372 /nfs/dbraw/zinc/77/33/72/1077773372.db2.gz WPJABCFBCUHUSW-HTWSVDAQSA-N 1 0 415.456 2.833 20 0 HFADRO CC(=O)Nc1ccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1C ZINC000789746655 1077779948 /nfs/dbraw/zinc/77/99/48/1077779948.db2.gz OHJJZFKKYCHDDR-LJQANCHMSA-N 1 0 410.474 2.916 20 0 HFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1 ZINC000789748239 1077780390 /nfs/dbraw/zinc/78/03/90/1077780390.db2.gz OIAQLJNYWBHFAG-QGZVFWFLSA-N 1 0 416.522 2.772 20 0 HFADRO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000789750293 1077781752 /nfs/dbraw/zinc/78/17/52/1077781752.db2.gz PHEMXQJUZOBNNQ-UHFFFAOYSA-N 1 0 420.487 2.715 20 0 HFADRO CCCc1csc(NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)n1 ZINC000789749778 1077781854 /nfs/dbraw/zinc/78/18/54/1077781854.db2.gz WYJYFLBGMYCSIE-UHFFFAOYSA-N 1 0 401.536 2.815 20 0 HFADRO CCC[C@@H]1CN(C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792255300 1077781794 /nfs/dbraw/zinc/78/17/94/1077781794.db2.gz POVQECCHIRYQRF-QYZOEREBSA-N 1 0 404.551 2.744 20 0 HFADRO CC[C@H](C)[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792260159 1077784766 /nfs/dbraw/zinc/78/47/66/1077784766.db2.gz NDDURUQEAGEJCY-NMLBUPMWSA-N 1 0 418.578 2.990 20 0 HFADRO CCC1([NH+](C)C)CCN(C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)CC1 ZINC001170164737 1077789212 /nfs/dbraw/zinc/78/92/12/1077789212.db2.gz IZBBNOBUQVCCSM-SFHVURJKSA-N 1 0 404.555 2.850 20 0 HFADRO CCC1([NH+](C)C)CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 ZINC001170165298 1077812199 /nfs/dbraw/zinc/81/21/99/1077812199.db2.gz RWSISYYVYKHHQM-OAQYLSRUSA-N 1 0 408.546 2.756 20 0 HFADRO Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)o1 ZINC000792366820 1077818003 /nfs/dbraw/zinc/81/80/03/1077818003.db2.gz NIZJVKKUEMXPET-SFHVURJKSA-N 1 0 419.485 2.622 20 0 HFADRO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cc(=O)n3ccccc3n2)cn1 ZINC000792375010 1077820861 /nfs/dbraw/zinc/82/08/61/1077820861.db2.gz DKLBSSJKCODDFJ-OAQYLSRUSA-N 1 0 403.486 2.647 20 0 HFADRO COc1ccccc1-c1nc(C2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)no1 ZINC000792332074 1077821353 /nfs/dbraw/zinc/82/13/53/1077821353.db2.gz IQELRPCUHZFGIG-UHFFFAOYSA-N 1 0 412.412 2.993 20 0 HFADRO CCCCNC(=O)NC(=O)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792331542 1077821814 /nfs/dbraw/zinc/82/18/14/1077821814.db2.gz NDPALZGVBMYBRB-UHFFFAOYSA-N 1 0 410.559 2.725 20 0 HFADRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C[C@@H](O)COC1CCOCC1)CC2 ZINC000792333879 1077822898 /nfs/dbraw/zinc/82/28/98/1077822898.db2.gz QMWJDVSUJHORBJ-GOSISDBHSA-N 1 0 412.571 2.656 20 0 HFADRO CN1CC[NH+](CCC(C)(C)NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000792335455 1077824824 /nfs/dbraw/zinc/82/48/24/1077824824.db2.gz MCXUWLXJYDSRNW-UHFFFAOYSA-N 1 0 419.570 2.503 20 0 HFADRO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792388779 1077830982 /nfs/dbraw/zinc/83/09/82/1077830982.db2.gz MKZFWPYWMJYKEN-SFHVURJKSA-N 1 0 412.509 2.801 20 0 HFADRO Cc1nc(Cl)ccc1NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000792399249 1077835599 /nfs/dbraw/zinc/83/55/99/1077835599.db2.gz QXVBFOFKPYYOAD-UHFFFAOYSA-N 1 0 418.847 2.903 20 0 HFADRO CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789883812 1077835711 /nfs/dbraw/zinc/83/57/11/1077835711.db2.gz CLJATWLVNOXIOP-OVTQYCMBSA-N 1 0 421.541 2.900 20 0 HFADRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3nc(Br)cs3)CC2)CC1 ZINC000792406447 1077839406 /nfs/dbraw/zinc/83/94/06/1077839406.db2.gz HEDLUMRPPMYZIZ-UHFFFAOYSA-N 1 0 401.374 2.536 20 0 HFADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2nc(Cl)cs2)CC1)C(C)C ZINC000789912517 1077845259 /nfs/dbraw/zinc/84/52/59/1077845259.db2.gz JMVLKBWUAYUZSD-UHFFFAOYSA-N 1 0 400.976 2.884 20 0 HFADRO O=C(NCCC[NH+]1CCCC1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000789914333 1077845764 /nfs/dbraw/zinc/84/57/64/1077845764.db2.gz OUWYNWACUMFLOU-UHFFFAOYSA-N 1 0 406.399 2.700 20 0 HFADRO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000746863128 1077855790 /nfs/dbraw/zinc/85/57/90/1077855790.db2.gz SUHOIJQLFDVMTA-HSZRJFAPSA-N 1 0 417.550 2.577 20 0 HFADRO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)cc1Br ZINC000792457767 1077857440 /nfs/dbraw/zinc/85/74/40/1077857440.db2.gz IZAAPXYHWRGAJS-UHFFFAOYSA-N 1 0 401.301 2.910 20 0 HFADRO C=CC(=O)NCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000789937126 1077859151 /nfs/dbraw/zinc/85/91/51/1077859151.db2.gz HZAYQPHMUDMACV-LEWJYISDSA-N 1 0 411.933 2.974 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cc(Br)cc2cncn21 ZINC001170167389 1077864544 /nfs/dbraw/zinc/86/45/44/1077864544.db2.gz FIEWJONKQDIQRX-UHFFFAOYSA-N 1 0 415.295 2.965 20 0 HFADRO O=C(CN1C(=S)N=NC1c1cccs1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792497159 1077867320 /nfs/dbraw/zinc/86/73/20/1077867320.db2.gz YXXAERWSQKJPAY-MRXNPFEDSA-N 1 0 413.572 2.934 20 0 HFADRO CC(C)(C)C(=O)Nc1ccc(N)nc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170166850 1077867329 /nfs/dbraw/zinc/86/73/29/1077867329.db2.gz UCUISQMRZMVFGN-UHFFFAOYSA-N 1 0 411.510 2.517 20 0 HFADRO CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000792499107 1077868497 /nfs/dbraw/zinc/86/84/97/1077868497.db2.gz UTNOMCDVSIKANQ-XMSQKQJNSA-N 1 0 405.514 2.974 20 0 HFADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cncc(Cl)n3)CC2)c1C ZINC000789975078 1077878876 /nfs/dbraw/zinc/87/88/76/1077878876.db2.gz PPNYXBQSFJVCAX-UHFFFAOYSA-N 1 0 403.914 2.887 20 0 HFADRO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccc(=O)n(-c2ccccc2F)c1 ZINC001170167553 1077884718 /nfs/dbraw/zinc/88/47/18/1077884718.db2.gz NCLSPZRLXJWKNX-UHFFFAOYSA-N 1 0 407.449 2.845 20 0 HFADRO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH2+][C@@H]2CCO[C@H](CC)C2)C1 ZINC001170169947 1077894255 /nfs/dbraw/zinc/89/42/55/1077894255.db2.gz IROCOWUXZHCWST-MIUGBVLSSA-N 1 0 424.582 2.874 20 0 HFADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC001170184081 1077903412 /nfs/dbraw/zinc/90/34/12/1077903412.db2.gz KDGDNMXMYNIGII-DEOSSOPVSA-N 1 0 424.564 2.895 20 0 HFADRO CC(C)NC(=O)[C@@H](Nc1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1)C(C)C ZINC001170192969 1077905041 /nfs/dbraw/zinc/90/50/41/1077905041.db2.gz PFBZOPDGWMOPLP-NRFANRHFSA-N 1 0 415.582 2.743 20 0 HFADRO CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001626112220 1077905207 /nfs/dbraw/zinc/90/52/07/1077905207.db2.gz YRUGMRJTDKWPAT-SFHVURJKSA-N 1 0 415.559 2.973 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)N(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000790037041 1077906968 /nfs/dbraw/zinc/90/69/68/1077906968.db2.gz CDYHMMFPDMPCEF-SFHVURJKSA-N 1 0 423.579 2.911 20 0 HFADRO CC[C@H]1C[C@H](n2cncc2C[C@H]([NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170194070 1077911221 /nfs/dbraw/zinc/91/12/21/1077911221.db2.gz URAXYOMGRQTJGI-KPFFTGBYSA-N 1 0 424.501 2.937 20 0 HFADRO C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000790015040 1077914054 /nfs/dbraw/zinc/91/40/54/1077914054.db2.gz UBCASOWQUXKDNK-QGZVFWFLSA-N 1 0 411.568 2.674 20 0 HFADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000790019818 1077916330 /nfs/dbraw/zinc/91/63/30/1077916330.db2.gz RJTUVPAYKGJPIG-HZPDHXFCSA-N 1 0 411.568 2.767 20 0 HFADRO CC[C@H]1C[C@H]([N@@H+]2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)CCO1 ZINC001170227962 1077917711 /nfs/dbraw/zinc/91/77/11/1077917711.db2.gz RAUZTBHXOIVDEF-MOPGFXCFSA-N 1 0 403.548 2.889 20 0 HFADRO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)OC)c1 ZINC001170264826 1077921416 /nfs/dbraw/zinc/92/14/16/1077921416.db2.gz ZADJHFYTTCIOJD-QFBILLFUSA-N 1 0 412.486 2.730 20 0 HFADRO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC001170275617 1077926549 /nfs/dbraw/zinc/92/65/49/1077926549.db2.gz HXQUEMBEQDKGBF-IEBWSBKVSA-N 1 0 406.954 2.858 20 0 HFADRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000790050057 1077930566 /nfs/dbraw/zinc/93/05/66/1077930566.db2.gz XDPREGDYUVSXQT-WBVHZDCISA-N 1 0 411.568 2.672 20 0 HFADRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000746873906 1077930574 /nfs/dbraw/zinc/93/05/74/1077930574.db2.gz GASJPEZMTHWADD-UHFFFAOYSA-N 1 0 409.552 2.591 20 0 HFADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000790051266 1077931526 /nfs/dbraw/zinc/93/15/26/1077931526.db2.gz DETRTSXWAFPJMC-KNQAVFIVSA-N 1 0 414.594 2.667 20 0 HFADRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000790052767 1077931829 /nfs/dbraw/zinc/93/18/29/1077931829.db2.gz KYIQFEPUSAUEHE-OAQYLSRUSA-N 1 0 414.594 2.572 20 0 HFADRO O=C(N1C[C@@H]2C[N@@H+](CCCN3CCN(c4ccccc4)CC3)CC[C@@H]2C1)C(F)(F)F ZINC001170280612 1077936558 /nfs/dbraw/zinc/93/65/58/1077936558.db2.gz MKVGLGFQHGXGJE-MOPGFXCFSA-N 1 0 424.511 2.541 20 0 HFADRO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 ZINC001170285712 1077937655 /nfs/dbraw/zinc/93/76/55/1077937655.db2.gz UQGNPCPGAXGUOW-WRGRXTPVSA-N 1 0 416.953 2.771 20 0 HFADRO CCCC[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H]1CCCC[C@H]1OC ZINC001170290520 1077938761 /nfs/dbraw/zinc/93/87/61/1077938761.db2.gz NGVBNFKQVHTLGK-RTBURBONSA-N 1 0 404.490 2.800 20 0 HFADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001170365542 1077950946 /nfs/dbraw/zinc/95/09/46/1077950946.db2.gz OIQCUHQOOFDBCD-QRVBRYPASA-N 1 0 403.523 2.607 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000790136058 1077954124 /nfs/dbraw/zinc/95/41/24/1077954124.db2.gz WYXSFBVLJUKHEN-QFIPXVFZSA-N 1 0 411.550 2.775 20 0 HFADRO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170412692 1077967130 /nfs/dbraw/zinc/96/71/30/1077967130.db2.gz SWICTAGDCCOLNQ-IAGOWNOFSA-N 1 0 419.566 2.885 20 0 HFADRO CCOC(=O)c1cc2c(cc(C)[nH+]c2NCCNC(=O)c2ccc(Cl)cn2)n1C ZINC001170413935 1077967280 /nfs/dbraw/zinc/96/72/80/1077967280.db2.gz QXNXESHUFMGKFC-UHFFFAOYSA-N 1 0 415.881 2.949 20 0 HFADRO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000790204698 1077969316 /nfs/dbraw/zinc/96/93/16/1077969316.db2.gz VMZBDWUCTLSHNV-MRXNPFEDSA-N 1 0 412.490 2.812 20 0 HFADRO CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)C1CCN(c2cnccn2)CC1 ZINC000790211215 1077971416 /nfs/dbraw/zinc/97/14/16/1077971416.db2.gz FNUAWZUWXQOVHR-RMKNXTFCSA-N 1 0 409.534 2.558 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)cccc21 ZINC000790236678 1077973652 /nfs/dbraw/zinc/97/36/52/1077973652.db2.gz LLSBHCUWRCFYBE-IAGOWNOFSA-N 1 0 405.495 2.646 20 0 HFADRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)cccc21 ZINC000790244170 1077975579 /nfs/dbraw/zinc/97/55/79/1077975579.db2.gz VKIOKOPXNGJPIL-NXHRZFHOSA-N 1 0 413.499 2.715 20 0 HFADRO O=S(=O)(C[C@H]1CCCOC1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000792765544 1077988266 /nfs/dbraw/zinc/98/82/66/1077988266.db2.gz QBDFFIWUECBFCQ-RDJZCZTQSA-N 1 0 406.470 2.626 20 0 HFADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(Sc3ccc(Cl)cc3)CC1)C2=O ZINC000772821063 1077990631 /nfs/dbraw/zinc/99/06/31/1077990631.db2.gz IPLYUNPVBXDBCG-UHFFFAOYSA-N 1 0 422.982 2.870 20 0 HFADRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1nnnn1C1CC1 ZINC000790306443 1077999958 /nfs/dbraw/zinc/99/99/58/1077999958.db2.gz RKIYWQIOLCRDFZ-CQSZACIVSA-N 1 0 417.945 2.934 20 0 HFADRO CC(C)[NH+]1CCN(c2ccc(NCCNC(=O)c3ccc(Cl)cn3)cn2)CC1 ZINC001170421135 1078000960 /nfs/dbraw/zinc/00/09/60/1078000960.db2.gz PSYOXTSAQFKQKC-UHFFFAOYSA-N 1 0 402.930 2.502 20 0 HFADRO O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000790361902 1078004482 /nfs/dbraw/zinc/00/44/82/1078004482.db2.gz HSIOGOWWITYFND-ZDUSSCGKSA-N 1 0 410.433 2.766 20 0 HFADRO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=S)NCC2CC[NH+](C)CC2)cn1 ZINC000790340481 1078007205 /nfs/dbraw/zinc/00/72/05/1078007205.db2.gz RWUZEFSNKRDXEH-NRFANRHFSA-N 1 0 415.607 2.655 20 0 HFADRO O[C@H](C[C@H]1COCCN1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccco1 ZINC000792873453 1078009626 /nfs/dbraw/zinc/00/96/26/1078009626.db2.gz SYNLGAVHWFVIEJ-BHDDXSALSA-N 1 0 400.519 2.695 20 0 HFADRO C[C@@H](CNC(=O)N(CCO)Cc1cccnc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000792861801 1078010813 /nfs/dbraw/zinc/01/08/13/1078010813.db2.gz ALVZDINUVONIRO-INIZCTEOSA-N 1 0 402.926 2.686 20 0 HFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000792863920 1078010970 /nfs/dbraw/zinc/01/09/70/1078010970.db2.gz VVFTXGADTQURSW-OFNKIYASSA-N 1 0 417.550 2.508 20 0 HFADRO O=C1O[C@]2(CN1CN1CCc3c(Br)ccc(F)c3C1)C[NH+]1CCC2CC1 ZINC000790386919 1078011757 /nfs/dbraw/zinc/01/17/57/1078011757.db2.gz QEGWLMNOIKBDKR-IBGZPJMESA-N 1 0 424.314 2.820 20 0 HFADRO COc1ccc(OC)c(CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C2CC2)c1 ZINC000790372203 1078017454 /nfs/dbraw/zinc/01/74/54/1078017454.db2.gz YZTVZRUHBCLBLK-JOCHJYFZSA-N 1 0 401.507 2.542 20 0 HFADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)C[C@H](C)O1 ZINC000792914675 1078024325 /nfs/dbraw/zinc/02/43/25/1078024325.db2.gz SDQNTEXRLBHTDZ-YYDVJCTNSA-N 1 0 417.550 2.651 20 0 HFADRO O=C(OCc1ccccc1)N1CCC([NH2+]Cc2ccc(N3CCOCC3)nc2)CC1 ZINC000790463565 1078027805 /nfs/dbraw/zinc/02/78/05/1078027805.db2.gz NBMGKQIWWICJDM-UHFFFAOYSA-N 1 0 410.518 2.809 20 0 HFADRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000792937844 1078029436 /nfs/dbraw/zinc/02/94/36/1078029436.db2.gz ZZRYVYSXWZBMKY-CKEIUWERSA-N 1 0 410.474 2.606 20 0 HFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792952407 1078033824 /nfs/dbraw/zinc/03/38/24/1078033824.db2.gz HQZUEPZMVQXSEG-ZIAGYGMSSA-N 1 0 411.344 2.657 20 0 HFADRO COC(=O)N1CCC[C@H]([NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000792952428 1078033852 /nfs/dbraw/zinc/03/38/52/1078033852.db2.gz YZWQQAHXCACJSZ-VIFPVBQESA-N 1 0 410.202 2.890 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)nc1Br ZINC000792953273 1078033986 /nfs/dbraw/zinc/03/39/86/1078033986.db2.gz NSIRJCFMCQDBKT-UHFFFAOYSA-N 1 0 411.344 2.862 20 0 HFADRO Cc1ccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)nc1Br ZINC000792953595 1078034014 /nfs/dbraw/zinc/03/40/14/1078034014.db2.gz RRIOYUBGJNPLTF-CQSZACIVSA-N 1 0 411.344 2.718 20 0 HFADRO COC(=O)c1c2cnn(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)c2ccc1Br ZINC000790445408 1078034260 /nfs/dbraw/zinc/03/42/60/1078034260.db2.gz ITVCYKJYZAJBPL-GFCCVEGCSA-N 1 0 424.295 2.628 20 0 HFADRO CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000792960912 1078036530 /nfs/dbraw/zinc/03/65/30/1078036530.db2.gz SAJZCMYPZJKFRZ-UHFFFAOYSA-N 1 0 402.539 2.815 20 0 HFADRO O=C(Nc1cccc(Br)n1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000792968470 1078038294 /nfs/dbraw/zinc/03/82/94/1078038294.db2.gz KUVBPIOOWZUYLK-UHFFFAOYSA-N 1 0 423.355 2.944 20 0 HFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792982691 1078039937 /nfs/dbraw/zinc/03/99/37/1078039937.db2.gz FZWXEHVSRHWNSE-HUUCEWRRSA-N 1 0 423.355 2.896 20 0 HFADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000792988979 1078042072 /nfs/dbraw/zinc/04/20/72/1078042072.db2.gz YCNLGAZLRVVBSC-UHFFFAOYSA-N 1 0 415.275 2.942 20 0 HFADRO C[C@H]([NH2+]C1(CNC(=O)C(=O)Nc2cccc(Cl)n2)CCOCC1)c1ccccc1 ZINC000792990786 1078042422 /nfs/dbraw/zinc/04/24/22/1078042422.db2.gz YCTQHAQKXOIBGR-HNNXBMFYSA-N 1 0 416.909 2.690 20 0 HFADRO Cn1c(=O)sc2cc(C[NH2+]C[C@H](O)c3cc(Cl)c4c(c3)OCCO4)ccc21 ZINC000792993590 1078042970 /nfs/dbraw/zinc/04/29/70/1078042970.db2.gz VTYBDKCTLVJCSI-HNNXBMFYSA-N 1 0 406.891 2.848 20 0 HFADRO CN(Cc1nncn1C)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000806252044 1079511276 /nfs/dbraw/zinc/51/12/76/1079511276.db2.gz PCQCKEPFZBASIR-UHFFFAOYSA-N 1 0 413.526 2.684 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000806270961 1079532758 /nfs/dbraw/zinc/53/27/58/1079532758.db2.gz KGYAWMFFFKPGKY-APWZRJJASA-N 1 0 413.440 2.961 20 0 HFADRO CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21)[NH+]1CCCC1 ZINC000806302970 1079554758 /nfs/dbraw/zinc/55/47/58/1079554758.db2.gz JDXBOSJSSWBYTL-VQTJNVASSA-N 1 0 417.598 2.974 20 0 HFADRO C[NH+](C)CCn1ccc(NC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)n1 ZINC000806307537 1079559686 /nfs/dbraw/zinc/55/96/86/1079559686.db2.gz QWGRFVFKZGACDA-GOSISDBHSA-N 1 0 420.558 2.890 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000806308944 1079561224 /nfs/dbraw/zinc/56/12/24/1079561224.db2.gz ZVSZHTTYNABYTG-RHSMWYFYSA-N 1 0 405.392 2.565 20 0 HFADRO Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001130586770 1079562404 /nfs/dbraw/zinc/56/24/04/1079562404.db2.gz UNHXACYWRRJZGA-FGTMMUONSA-N 1 0 407.580 2.723 20 0 HFADRO C[C@@H]1[C@H](NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000806293265 1079579541 /nfs/dbraw/zinc/57/95/41/1079579541.db2.gz ZKUKEUACFBWZJP-AUUYWEPGSA-N 1 0 402.445 2.866 20 0 HFADRO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)CCC2 ZINC000806297475 1079587224 /nfs/dbraw/zinc/58/72/24/1079587224.db2.gz OCPTXHOARVWBCD-VQTJNVASSA-N 1 0 415.582 2.871 20 0 HFADRO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000747325399 1079600690 /nfs/dbraw/zinc/60/06/90/1079600690.db2.gz IRELCGOMKNDRIR-QZTJIDSGSA-N 1 0 405.502 2.537 20 0 HFADRO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000806335040 1079607018 /nfs/dbraw/zinc/60/70/18/1079607018.db2.gz ZCGAKDWCAACFGU-LJQANCHMSA-N 1 0 413.440 2.919 20 0 HFADRO CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596429 1079614414 /nfs/dbraw/zinc/61/44/14/1079614414.db2.gz ANKXQKMYLIIYTE-BFUACXKISA-N 1 0 400.567 2.579 20 0 HFADRO C[NH+](C)CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000806371178 1079658006 /nfs/dbraw/zinc/65/80/06/1079658006.db2.gz HLCGCVYOTAETAP-DEOSSOPVSA-N 1 0 424.589 2.958 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000806434513 1079682167 /nfs/dbraw/zinc/68/21/67/1079682167.db2.gz NDMXXWFUDPSSEF-PXNSSMCTSA-N 1 0 402.539 2.743 20 0 HFADRO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000806401956 1079689741 /nfs/dbraw/zinc/68/97/41/1079689741.db2.gz XXLWXXSAXQVUHE-FQEVSTJZSA-N 1 0 402.539 2.745 20 0 HFADRO COc1cc(NC(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1F ZINC000806444153 1079714162 /nfs/dbraw/zinc/71/41/62/1079714162.db2.gz MFXJZHYBDHVFSI-MRXNPFEDSA-N 1 0 422.501 2.993 20 0 HFADRO CCOC(=O)C1CCC(O)(C[C@@H](O)C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001170508929 1079722678 /nfs/dbraw/zinc/72/26/78/1079722678.db2.gz YHDUSGQOWOJDMQ-HLZCYKFHSA-N 1 0 413.942 2.541 20 0 HFADRO CCN(CC)c1ccc2cc(C(=O)N3CC[N@H+](CCOC)CC3(C)C)c(=O)oc2c1 ZINC001130635571 1079724800 /nfs/dbraw/zinc/72/48/00/1079724800.db2.gz GTQCSTZVBSCBNQ-UHFFFAOYSA-N 1 0 415.534 2.822 20 0 HFADRO COc1ccccc1[C@@H](CNC(=O)N=c1ccnc2n(C)[nH]cc1-2)[NH+]1CCCCC1 ZINC000806489769 1079740971 /nfs/dbraw/zinc/74/09/71/1079740971.db2.gz CIWAKEXYDOBBMO-LJQANCHMSA-N 1 0 408.506 2.699 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccnc1-2 ZINC000806491376 1079741388 /nfs/dbraw/zinc/74/13/88/1079741388.db2.gz IZFVZJAVBYTSMK-WIYYLYMNSA-N 1 0 404.518 2.860 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccnc1-2 ZINC000806491370 1079741525 /nfs/dbraw/zinc/74/15/25/1079741525.db2.gz IZFVZJAVBYTSMK-GHTZIAJQSA-N 1 0 404.518 2.860 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)N[C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)ccnc1-2 ZINC000806490712 1079741997 /nfs/dbraw/zinc/74/19/97/1079741997.db2.gz KSSDBHSAYBTGNO-HNNXBMFYSA-N 1 0 418.423 2.757 20 0 HFADRO Cc1ccc2[nH]c(CNC(=O)C(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000806494811 1079746166 /nfs/dbraw/zinc/74/61/66/1079746166.db2.gz WXDOFARZKWUPKC-DEOSSOPVSA-N 1 0 419.529 2.516 20 0 HFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)C1 ZINC000806501681 1079752922 /nfs/dbraw/zinc/75/29/22/1079752922.db2.gz JRLHOIRZDBYMNX-HKUYNNGSSA-N 1 0 415.534 2.676 20 0 HFADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(OC(F)(F)F)c1 ZINC000806504881 1079755155 /nfs/dbraw/zinc/75/51/55/1079755155.db2.gz FOLXXOXCSVLQQR-AEGPPILISA-N 1 0 401.429 2.751 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)NC[C@@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806483924 1079770469 /nfs/dbraw/zinc/77/04/69/1079770469.db2.gz VQAWNMDPMFWXJG-UGSOOPFHSA-N 1 0 416.888 2.949 20 0 HFADRO Cn1[nH]cc2c(=NC(=O)NC[C@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806483922 1079770641 /nfs/dbraw/zinc/77/06/41/1079770641.db2.gz VQAWNMDPMFWXJG-FZKQIMNGSA-N 1 0 416.888 2.949 20 0 HFADRO COC(=O)[C@@]1(NC(=O)c2ccc3cccnc3n2)CCC[N@H+](Cc2ccccc2)C1 ZINC001130660746 1079807923 /nfs/dbraw/zinc/80/79/23/1079807923.db2.gz NHLRWKNCQLPYDQ-HSZRJFAPSA-N 1 0 404.470 2.567 20 0 HFADRO COC(=O)[C@@]1(NC(=O)c2cccc3ncn(C)c32)CCC[N@H+](Cc2ccccc2)C1 ZINC001130660546 1079807955 /nfs/dbraw/zinc/80/79/55/1079807955.db2.gz HSUVHJWPHOYRSO-HSZRJFAPSA-N 1 0 406.486 2.511 20 0 HFADRO COC(=O)[C@@]1(NC(=O)CCCn2nc(C)cc2C)CCC[N@H+](Cc2ccccc2)C1 ZINC001130661509 1079808574 /nfs/dbraw/zinc/80/85/74/1079808574.db2.gz ZWQZPPUCNWOUBE-HSZRJFAPSA-N 1 0 412.534 2.604 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000806594855 1079838107 /nfs/dbraw/zinc/83/81/07/1079838107.db2.gz STCHNYZGOOJIHT-FUHWJXTLSA-N 1 0 406.958 2.507 20 0 HFADRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCCc1ccc(Cl)nc1 ZINC000806600389 1079842370 /nfs/dbraw/zinc/84/23/70/1079842370.db2.gz NXUYYPXZTGIXFJ-LJQANCHMSA-N 1 0 416.953 2.667 20 0 HFADRO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000806633156 1079887790 /nfs/dbraw/zinc/88/77/90/1079887790.db2.gz DXVSORQXWUYACN-LJQANCHMSA-N 1 0 420.554 2.779 20 0 HFADRO C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)C1 ZINC000806679593 1079909036 /nfs/dbraw/zinc/90/90/36/1079909036.db2.gz DIAINYLXLAJBCX-ZBFHGGJFSA-N 1 0 419.740 2.945 20 0 HFADRO COC(=O)N1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000806682143 1079910217 /nfs/dbraw/zinc/91/02/17/1079910217.db2.gz CAZUIUPKSFMKIM-MJGOQNOKSA-N 1 0 406.527 2.607 20 0 HFADRO Cc1ccc(CC(=O)N2CCC(CC(=O)N3CCC([NH+](C)C)CC3)CC2)c(Cl)n1 ZINC000806661971 1079927658 /nfs/dbraw/zinc/92/76/58/1079927658.db2.gz SKXPPSCHKASMCY-UHFFFAOYSA-N 1 0 420.985 2.767 20 0 HFADRO CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000806741401 1079940549 /nfs/dbraw/zinc/94/05/49/1079940549.db2.gz IYMSSOCOUKTAHZ-LJQANCHMSA-N 1 0 424.586 2.674 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000806724101 1079948703 /nfs/dbraw/zinc/94/87/03/1079948703.db2.gz KWXICPDFPWVTNF-IBGZPJMESA-N 1 0 405.539 2.733 20 0 HFADRO CCC(CC)[C@@H](CNC(=O)C(=O)NCc1ccc(C(C)(C)O)cc1)[NH+]1CCCC1 ZINC000806734044 1079959897 /nfs/dbraw/zinc/95/98/97/1079959897.db2.gz YIORJDQMWDDXGP-HXUWFJFHSA-N 1 0 403.567 2.547 20 0 HFADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806735636 1079960951 /nfs/dbraw/zinc/96/09/51/1079960951.db2.gz ATKVMCMMGFRPAS-ZRBLBEILSA-N 1 0 409.530 2.795 20 0 HFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806753664 1079968842 /nfs/dbraw/zinc/96/88/42/1079968842.db2.gz XHNLFPSNUVFETG-OFNKIYASSA-N 1 0 410.562 2.568 20 0 HFADRO O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC001130733010 1079970928 /nfs/dbraw/zinc/97/09/28/1079970928.db2.gz HNNCPKOYURSDHH-MOPGFXCFSA-N 1 0 422.451 2.951 20 0 HFADRO Cc1cccnc1C(F)(F)C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001130733393 1079972018 /nfs/dbraw/zinc/97/20/18/1079972018.db2.gz PNGHUGZYGNOKDJ-RBUKOAKNSA-N 1 0 401.457 2.984 20 0 HFADRO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000806759053 1079977370 /nfs/dbraw/zinc/97/73/70/1079977370.db2.gz VQERJNVRTWIPIA-QGZVFWFLSA-N 1 0 412.575 2.576 20 0 HFADRO CC(C)C[N@H+](C)CCCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC001130729457 1079999514 /nfs/dbraw/zinc/99/95/14/1079999514.db2.gz AGPRFCNZTMCCLZ-UHFFFAOYSA-N 1 0 416.335 2.802 20 0 HFADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000806778806 1080004590 /nfs/dbraw/zinc/00/45/90/1080004590.db2.gz AAVXJJHXGZHGBI-UXHICEINSA-N 1 0 424.586 2.720 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000806811946 1080025593 /nfs/dbraw/zinc/02/55/93/1080025593.db2.gz YVRKBVNURJKWQJ-WOJBJXKFSA-N 1 0 402.539 2.961 20 0 HFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000806813964 1080027330 /nfs/dbraw/zinc/02/73/30/1080027330.db2.gz FZTYFHHIMURANE-AFXVXQJMSA-N 1 0 413.562 2.844 20 0 HFADRO COc1ccccc1O[C@@H]1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000806815101 1080027677 /nfs/dbraw/zinc/02/76/77/1080027677.db2.gz ZWZWWQHWVGXANY-WOJBJXKFSA-N 1 0 417.550 2.891 20 0 HFADRO Cn1ncc(NC(=O)C(=O)N(CCc2ccccc2)CC[NH+](C)C)c1-c1ccccc1 ZINC000806851143 1080036297 /nfs/dbraw/zinc/03/62/97/1080036297.db2.gz HLUHWTLVZPCRHV-UHFFFAOYSA-N 1 0 419.529 2.659 20 0 HFADRO CN1CC[NH+](CCCCNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000806831852 1080045698 /nfs/dbraw/zinc/04/56/98/1080045698.db2.gz FILHFGLOVIHYQN-XMMPIXPASA-N 1 0 424.589 2.959 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc3ccccn3)ccc2c1 ZINC000806891083 1080056471 /nfs/dbraw/zinc/05/64/71/1080056471.db2.gz UOJSMZWEVUELFH-UHFFFAOYSA-N 1 0 406.486 2.772 20 0 HFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000806870766 1080071252 /nfs/dbraw/zinc/07/12/52/1080071252.db2.gz NOXRDSMAXRYLNI-UHFFFAOYSA-N 1 0 419.472 2.721 20 0 HFADRO CCOC(=O)Nc1c2cc(NCCOCCOCC[NH3+])ccc2oc1C(=O)OCC ZINC001170513025 1080074375 /nfs/dbraw/zinc/07/43/75/1080074375.db2.gz DSTAUCIILWNYJJ-UHFFFAOYSA-N 1 0 423.466 2.582 20 0 HFADRO O=C(Nc1csc(-c2ccccc2)n1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000806918463 1080087870 /nfs/dbraw/zinc/08/78/70/1080087870.db2.gz BECDPVWBMPZQSF-QGZVFWFLSA-N 1 0 414.531 2.508 20 0 HFADRO COc1ccc2cc(NC(=O)C(=O)NC3CC[NH+](CCOC(C)C)CC3)ccc2c1 ZINC000806926414 1080095023 /nfs/dbraw/zinc/09/50/23/1080095023.db2.gz NMCWUOVGUZCNAX-UHFFFAOYSA-N 1 0 413.518 2.793 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000806930973 1080098165 /nfs/dbraw/zinc/09/81/65/1080098165.db2.gz JAEOOFBCHKFCLI-SFHVURJKSA-N 1 0 407.477 2.882 20 0 HFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)C1 ZINC000806897397 1080104320 /nfs/dbraw/zinc/10/43/20/1080104320.db2.gz JNQXBXRLTYJBNS-ZWKOTPCHSA-N 1 0 401.551 2.966 20 0 HFADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000807007086 1080207263 /nfs/dbraw/zinc/20/72/63/1080207263.db2.gz ZXCQSGAPOVKKMC-UHFFFAOYSA-N 1 0 416.547 2.696 20 0 HFADRO Cc1cc(NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)sn1 ZINC000807015741 1080212169 /nfs/dbraw/zinc/21/21/69/1080212169.db2.gz GPGSVSYDMUCKCK-UHFFFAOYSA-N 1 0 401.536 2.807 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000807050777 1080234171 /nfs/dbraw/zinc/23/41/71/1080234171.db2.gz BBOAZUHSXQAOIE-MTFMMBMASA-N 1 0 403.592 2.661 20 0 HFADRO CSCC[C@H](C)NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000807055026 1080237436 /nfs/dbraw/zinc/23/74/36/1080237436.db2.gz KEYHTPPHNPZRDE-AVRDEDQJSA-N 1 0 403.592 2.759 20 0 HFADRO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000807089581 1080267625 /nfs/dbraw/zinc/26/76/25/1080267625.db2.gz IAOBDMFORPXAFL-FGZHOGPDSA-N 1 0 413.562 2.747 20 0 HFADRO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000807090111 1080270298 /nfs/dbraw/zinc/27/02/98/1080270298.db2.gz NBJHZQOEAHGIHX-YADHBBJMSA-N 1 0 413.562 2.747 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000807093969 1080272804 /nfs/dbraw/zinc/27/28/04/1080272804.db2.gz RIHNZONPIDSNIA-DEYYWGMASA-N 1 0 405.461 2.776 20 0 HFADRO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000807093971 1080272878 /nfs/dbraw/zinc/27/28/78/1080272878.db2.gz RIHNZONPIDSNIA-GLJUWKHASA-N 1 0 405.461 2.776 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000807115251 1080291912 /nfs/dbraw/zinc/29/19/12/1080291912.db2.gz XFMCMCHPPNFTDB-NPHXMPSESA-N 1 0 422.573 2.745 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000807114411 1080292006 /nfs/dbraw/zinc/29/20/06/1080292006.db2.gz MJDJAXCSCFDCCS-FIKGOQFSSA-N 1 0 424.545 2.919 20 0 HFADRO O=C(NCc1nc(C(F)(F)F)cs1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807156279 1080314221 /nfs/dbraw/zinc/31/42/21/1080314221.db2.gz ZSXUPBAYJLYISC-UHFFFAOYSA-N 1 0 418.485 2.691 20 0 HFADRO CCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807189472 1080339128 /nfs/dbraw/zinc/33/91/28/1080339128.db2.gz VVWWQSQYHCMRQP-WOJBJXKFSA-N 1 0 402.539 2.819 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)C2)cc1C ZINC000807212690 1080361962 /nfs/dbraw/zinc/36/19/62/1080361962.db2.gz AIFZYSQNMDGGBR-IMFGXOCKSA-N 1 0 400.523 2.765 20 0 HFADRO COc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)C2)cc1C ZINC000807212693 1080362011 /nfs/dbraw/zinc/36/20/11/1080362011.db2.gz AIFZYSQNMDGGBR-XKGZKEIXSA-N 1 0 400.523 2.765 20 0 HFADRO C[NH+](C)C[C@H](NC(=O)NCCCNC(=O)/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000807212423 1080362373 /nfs/dbraw/zinc/36/23/73/1080362373.db2.gz CEBCTXQBDFCJKL-PBAKHKOTSA-N 1 0 412.509 2.947 20 0 HFADRO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000807181257 1080375248 /nfs/dbraw/zinc/37/52/48/1080375248.db2.gz PJLKLSFSYLYSAB-MOPGFXCFSA-N 1 0 412.575 2.578 20 0 HFADRO C[NH+](C)CCN(C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C1CC1 ZINC000807267110 1080417530 /nfs/dbraw/zinc/41/75/30/1080417530.db2.gz PRTUXQZBPZKSHO-SFHVURJKSA-N 1 0 405.543 2.621 20 0 HFADRO O=C(c1ccccc1CSC1=NCCS1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000747382688 1080422636 /nfs/dbraw/zinc/42/26/36/1080422636.db2.gz BFYCFSJSMLRCDT-ROUUACIJSA-N 1 0 405.589 2.694 20 0 HFADRO CCOC(=O)C1=C(Nc2ncc(C(N)=O)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001170520911 1080434406 /nfs/dbraw/zinc/43/44/06/1080434406.db2.gz AHOODVYQMKMASH-UHFFFAOYSA-N 1 0 414.893 2.969 20 0 HFADRO C[NH+](C)C1(CNC(=O)C(=O)N2CCC(c3ccc(F)cc3)CC2)Cc2ccccc2C1 ZINC000807299285 1080493491 /nfs/dbraw/zinc/49/34/91/1080493491.db2.gz NWVKDPXXQFRIDS-UHFFFAOYSA-N 1 0 423.532 2.747 20 0 HFADRO CCOC(=O)C1=C(Nc2ccc(C3(C(N)=O)CC3)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522084 1080496023 /nfs/dbraw/zinc/49/60/23/1080496023.db2.gz WTHDSGKMHZLFTA-UHFFFAOYSA-N 1 0 420.513 2.734 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)OC)c(F)c1)c1ccco1 ZINC000807310430 1080503585 /nfs/dbraw/zinc/50/35/85/1080503585.db2.gz IKWFPXWIARVGHN-BLLLJJGKSA-N 1 0 420.441 2.781 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)OC)cc1)c1ccco1 ZINC000807310671 1080504289 /nfs/dbraw/zinc/50/42/89/1080504289.db2.gz PHFBUHXRLIQDRR-CJNGLKHVSA-N 1 0 402.451 2.642 20 0 HFADRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cnc(Br)c(C)c1)c1ccco1 ZINC000807310600 1080504421 /nfs/dbraw/zinc/50/44/21/1080504421.db2.gz NRXXVFIUWBLVOF-OCCSQVGLSA-N 1 0 423.311 2.930 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)c1ccco1 ZINC000807310534 1080505180 /nfs/dbraw/zinc/50/51/80/1080505180.db2.gz LTGOTPLOQCQMFY-CHWSQXEVSA-N 1 0 423.311 2.930 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(N(C)C)n1 ZINC000807354759 1080516732 /nfs/dbraw/zinc/51/67/32/1080516732.db2.gz JITPJEYMFDZJDA-DEOSSOPVSA-N 1 0 421.545 2.519 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000807358711 1080520443 /nfs/dbraw/zinc/52/04/43/1080520443.db2.gz FAJQVOWBPXZJLL-UHFFFAOYSA-N 1 0 416.522 2.615 20 0 HFADRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000807358753 1080520791 /nfs/dbraw/zinc/52/07/91/1080520791.db2.gz FWPFLEVMBIKRJF-IBGZPJMESA-N 1 0 416.566 2.575 20 0 HFADRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807353067 1080559204 /nfs/dbraw/zinc/55/92/04/1080559204.db2.gz DLPFGQHNSSWWII-ZBFHGGJFSA-N 1 0 401.898 2.549 20 0 HFADRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807353066 1080559352 /nfs/dbraw/zinc/55/93/52/1080559352.db2.gz DLPFGQHNSSWWII-HOCLYGCPSA-N 1 0 401.898 2.549 20 0 HFADRO COC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(C(=O)c3cccc(Br)c3)CC2)C1 ZINC001170523507 1080591828 /nfs/dbraw/zinc/59/18/28/1080591828.db2.gz FMFNPKBFTZWSCC-PBHICJAKSA-N 1 0 409.324 2.985 20 0 HFADRO C[C@@H](O)c1cc(NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1F ZINC000807399909 1080595595 /nfs/dbraw/zinc/59/55/95/1080595595.db2.gz OTQRNBBGBGCXEJ-XIKOKIGWSA-N 1 0 401.438 2.841 20 0 HFADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)[NH+](C)C ZINC000807406394 1080599943 /nfs/dbraw/zinc/59/99/43/1080599943.db2.gz MLPIGBDMNHNALU-YHELAOLJSA-N 1 0 413.566 2.875 20 0 HFADRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000807454279 1080634193 /nfs/dbraw/zinc/63/41/93/1080634193.db2.gz USHVUCLFASUNHE-QAPCUYQASA-N 1 0 404.942 2.964 20 0 HFADRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000807454967 1080634555 /nfs/dbraw/zinc/63/45/55/1080634555.db2.gz ZQCKSEVLTDKDAM-WMLDXEAASA-N 1 0 401.898 2.549 20 0 HFADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000807454914 1080634695 /nfs/dbraw/zinc/63/46/95/1080634695.db2.gz YXDSUZZFHFNKCI-VQIMIIECSA-N 1 0 416.522 2.915 20 0 HFADRO CC(C)COC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000807454908 1080634752 /nfs/dbraw/zinc/63/47/52/1080634752.db2.gz YXDSUZZFHFNKCI-APWZRJJASA-N 1 0 416.522 2.915 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccco1 ZINC000807442965 1080663322 /nfs/dbraw/zinc/66/33/22/1080663322.db2.gz UTQGLXCPNKXOLB-BFHYXJOUSA-N 1 0 404.433 2.513 20 0 HFADRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000807444002 1080664800 /nfs/dbraw/zinc/66/48/00/1080664800.db2.gz XKYPJNVZGWJKMG-YESZJQIVSA-N 1 0 424.542 2.644 20 0 HFADRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)c1ccco1 ZINC000807444849 1080665580 /nfs/dbraw/zinc/66/55/80/1080665580.db2.gz KHVDUTHEEJAITJ-UKRRQHHQSA-N 1 0 418.460 2.809 20 0 HFADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c(Br)n1 ZINC000807487028 1080669435 /nfs/dbraw/zinc/66/94/35/1080669435.db2.gz ONBMSMAFTOGAOJ-HNNXBMFYSA-N 1 0 423.286 2.649 20 0 HFADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000807487735 1080673174 /nfs/dbraw/zinc/67/31/74/1080673174.db2.gz HEUOCXMIRFIJGY-QGZVFWFLSA-N 1 0 409.408 2.555 20 0 HFADRO C[C@](O)(CCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)c1ccccc1 ZINC000807504911 1080705486 /nfs/dbraw/zinc/70/54/86/1080705486.db2.gz TVKHXCKMZFYFGY-QHCPKHFHSA-N 1 0 415.578 2.563 20 0 HFADRO CC(C)Oc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)n2)[NH+](C)C)cc1 ZINC000807509445 1080711370 /nfs/dbraw/zinc/71/13/70/1080711370.db2.gz JPPHGOXOMXSZNY-INIZCTEOSA-N 1 0 404.898 2.880 20 0 HFADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000807485345 1080740739 /nfs/dbraw/zinc/74/07/39/1080740739.db2.gz DUAXOCMFTZMYKG-SFHVURJKSA-N 1 0 416.453 2.752 20 0 HFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCn2cc(Br)cn2)C1 ZINC000807530144 1080742059 /nfs/dbraw/zinc/74/20/59/1080742059.db2.gz VCYRDMOVZBEPNC-KRWDZBQOSA-N 1 0 406.328 2.562 20 0 HFADRO CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000807543975 1080759841 /nfs/dbraw/zinc/75/98/41/1080759841.db2.gz PEMTXFOYQOQRSZ-UWJYYQICSA-N 1 0 423.513 2.971 20 0 HFADRO Cc1cccc(F)c1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000807518930 1080772281 /nfs/dbraw/zinc/77/22/81/1080772281.db2.gz PVXGIKOYWOHAQM-UHFFFAOYSA-N 1 0 405.901 2.994 20 0 HFADRO COC(=O)N1CCC(CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)CC1 ZINC000807525895 1080778502 /nfs/dbraw/zinc/77/85/02/1080778502.db2.gz XGXOKNILQURASQ-HXUWFJFHSA-N 1 0 420.554 2.854 20 0 HFADRO CCN(CCc1ccccn1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000807582896 1080794854 /nfs/dbraw/zinc/79/48/54/1080794854.db2.gz WIACLPMSTQSCRV-PXNSSMCTSA-N 1 0 414.575 2.733 20 0 HFADRO Cc1cc([C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000807583084 1080795020 /nfs/dbraw/zinc/79/50/20/1080795020.db2.gz ZBCRLWZSANABRJ-VDZJLULYSA-N 1 0 416.547 2.907 20 0 HFADRO COC[C@]1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCCN1C(=O)OC(C)(C)C ZINC000807552865 1080802627 /nfs/dbraw/zinc/80/26/27/1080802627.db2.gz CBZURPOPJBRJIW-NJNPRVFISA-N 1 0 424.586 2.528 20 0 HFADRO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000807558756 1080812909 /nfs/dbraw/zinc/81/29/09/1080812909.db2.gz GPPVPMGPCAIGCD-WMZOPIPTSA-N 1 0 414.937 2.686 20 0 HFADRO COc1cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)ccc1OCC(=O)N1CCCC1 ZINC000466911938 1126094132 /nfs/dbraw/zinc/09/41/32/1126094132.db2.gz ARUKXXSTJYLYGB-OAQYLSRUSA-N 1 0 412.530 2.698 20 0 HFADRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC001176597712 1126150334 /nfs/dbraw/zinc/15/03/34/1126150334.db2.gz IJVIKSGMRDHHMF-OAQYLSRUSA-N 1 0 418.490 2.968 20 0 HFADRO COc1ccc2c(C[NH2+][C@@](C)(CO)Cc3ccc(OC)c(OC)c3)cc(=O)oc2c1 ZINC001460871336 1126193214 /nfs/dbraw/zinc/19/32/14/1126193214.db2.gz SIGVPLNUQOZPNY-HSZRJFAPSA-N 1 0 413.470 2.902 20 0 HFADRO CCS(=O)(=O)c1ccc(C[NH2+][C@](C)(CO)Cc2ccc(OC)c(OC)c2)cc1 ZINC001460870360 1126193324 /nfs/dbraw/zinc/19/33/24/1126193324.db2.gz PLOLUCKJJOSYEK-NRFANRHFSA-N 1 0 407.532 2.581 20 0 HFADRO O=c1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)nc2ccc(Cl)cn12 ZINC001560100060 1126207672 /nfs/dbraw/zinc/20/76/72/1126207672.db2.gz DCOIRFUULLOKOE-QAPCUYQASA-N 1 0 411.811 2.972 20 0 HFADRO COc1ccc2nc(C[NH2+][C@@]3(CO)CCc4cc(Br)ccc4C3)[nH]c2n1 ZINC001559997277 1126207134 /nfs/dbraw/zinc/20/71/34/1126207134.db2.gz RMZTZBOFIAHFQB-IBGZPJMESA-N 1 0 417.307 2.739 20 0 HFADRO