smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCc1cc(CCNS(=O)(=O)c2ccc(Br)cc2)cc(Cc2cccnc2)c1 ZINC000001482899 561675708 /nfs/dbraw/zinc/67/57/08/561675708.db2.gz YSNQLPNLRJCVLF-UHFFFAOYSA-N -1 0 503.418 3.973 1 0 KHAFRM CC(C)S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 ZINC000001482900 561675705 /nfs/dbraw/zinc/67/57/05/561675705.db2.gz MXAMTLFKQCXORY-DEOSSOPVSA-N -1 0 539.658 3.648 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COC1=C(c2ccc(Cl)c(Cl)c2)C(=O)OC1 ZINC000001540342 561677114 /nfs/dbraw/zinc/67/71/14/561677114.db2.gz KGHCSHWKSZBEFF-KRWDZBQOSA-N -1 0 508.310 3.617 1 0 KHAFRM CCCCc1nn([C@H](C(=O)[O-])c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001552275 561677551 /nfs/dbraw/zinc/67/75/51/561677551.db2.gz HECADOVVTBUIIE-VWLOTQADSA-N -1 0 509.570 3.957 1 0 KHAFRM O=c1c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2ncn1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000001651084 561678529 /nfs/dbraw/zinc/67/85/29/561678529.db2.gz LVSJSJYHUBENIM-UHFFFAOYSA-N -1 0 569.846 3.546 1 0 KHAFRM O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2n[nH]c(=O)n2-c2ccccc2)c([S-])cc1Cl ZINC000001859530 561679631 /nfs/dbraw/zinc/67/96/31/561679631.db2.gz NLDHJLZAINITBF-UHFFFAOYSA-N -1 0 501.977 3.556 1 0 KHAFRM Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3n[nH]c(=O)n3-c3ccccc3)c([S-])cc2Cl)cc1 ZINC000001859534 561679666 /nfs/dbraw/zinc/67/96/66/561679666.db2.gz GNCMCPFARICNLV-UHFFFAOYSA-N -1 0 516.004 3.864 1 0 KHAFRM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n31)c1ccccc1CC2 ZINC000002121155 561680610 /nfs/dbraw/zinc/68/06/10/561680610.db2.gz XCPQKGPAGJNOBL-KYRGTEIWSA-N -1 0 524.598 3.791 1 0 KHAFRM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n31)c1ccccc1CC2 ZINC000002121160 561680607 /nfs/dbraw/zinc/68/06/07/561680607.db2.gz XCPQKGPAGJNOBL-NKYAOSOXSA-N -1 0 524.598 3.791 1 0 KHAFRM COc1ccc(N(CC(=O)[O-])C(=O)[C@H](CCCC[NH3+])O[P@@](=O)([O-])CCCCc2ccccc2)cc1 ZINC000003788770 561682321 /nfs/dbraw/zinc/68/23/21/561682321.db2.gz LIKAUMUNPLRPGQ-QHCPKHFHSA-N -1 0 506.536 3.835 1 0 KHAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCC2)nc1C(=O)[O-] ZINC000003811707 561682715 /nfs/dbraw/zinc/68/27/15/561682715.db2.gz UIMLESSCURGKEU-YADHBBJMSA-N -1 0 522.650 3.965 1 0 KHAFRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(Cc2nc3c([nH]2)n(CC2CC2)c(=O)n(Cc2ccccc2F)c3=O)cc1 ZINC000003838290 561683753 /nfs/dbraw/zinc/68/37/53/561683753.db2.gz VYVWILALNQMBKS-UHFFFAOYSA-N -1 0 612.087 3.571 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])NC(=O)CCc1ccccc1 ZINC000003914549 561684425 /nfs/dbraw/zinc/68/44/25/561684425.db2.gz UUAAQZIRHCAOGJ-UPRLRBBYSA-N -1 0 635.762 3.801 1 0 KHAFRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000003916029 561684907 /nfs/dbraw/zinc/68/49/07/561684907.db2.gz PCHYMTHJLQQDLT-YMOPEUHTSA-N -1 0 580.641 3.863 1 0 KHAFRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000003916030 561684939 /nfs/dbraw/zinc/68/49/39/561684939.db2.gz PCHYMTHJLQQDLT-NKKHJSFDSA-N -1 0 580.641 3.863 1 0 KHAFRM COc1ccc(N(CC(=O)[O-])C(=O)[C@H](CCCC[NH3+])O[P@@](=O)([O-])CCCCc2ccccc2)cc1OC ZINC000003924959 561686420 /nfs/dbraw/zinc/68/64/20/561686420.db2.gz ICSYECGTOPPYSA-QHCPKHFHSA-N -1 0 536.562 3.844 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC(=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000003926509 561686810 /nfs/dbraw/zinc/68/68/10/561686810.db2.gz YDOBPQZYAZNHNJ-KNGUAOONSA-N -1 0 618.727 3.970 1 0 in-vitro KHAFRM CCN(CC)c1ncc(N(CC)S(=O)(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCC3)cc2)C(=O)[O-])n1 ZINC000003926629 561686799 /nfs/dbraw/zinc/68/67/99/561686799.db2.gz DRJSGHOADUJINA-DEOSSOPVSA-N -1 0 614.700 3.989 1 0 KHAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3c(Br)ccc(c32)C1=O)[P@@](=O)([O-])O ZINC000003930585 561687393 /nfs/dbraw/zinc/68/73/93/561687393.db2.gz IZWHGGHHNBIAIH-GSDHBNRESA-N -1 0 687.528 3.570 1 0 KHAFRM CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F ZINC000003932104 561687753 /nfs/dbraw/zinc/68/77/53/561687753.db2.gz CDWRAWNXIDFHRG-CWVVSJDFSA-N -1 0 689.606 3.688 1 0 KHAFRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000003934236 561688178 /nfs/dbraw/zinc/68/81/78/561688178.db2.gz PTQPGYBOZKMKKV-OFVILXPXSA-N -1 0 616.454 3.612 1 0 KHAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(N2CCOCC2)nc1OCCOC(=O)Nc1ccccn1 ZINC000003946721 561690156 /nfs/dbraw/zinc/69/01/56/561690156.db2.gz OOJYMKAJOJBARX-UHFFFAOYSA-N -1 0 637.675 3.641 1 0 KHAFRM CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCC(=O)NCC(=O)[O-])cc2)[C@H]1O ZINC000003963321 561691311 /nfs/dbraw/zinc/69/13/11/561691311.db2.gz NGAHPIFBRQGRES-FQLXRVMXSA-N -1 0 574.740 3.979 1 0 KHAFRM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[N-]OCc1ccccc1 ZINC000003974111 561691820 /nfs/dbraw/zinc/69/18/20/561691820.db2.gz QLTATXGXNQJLTH-SVBPBHIXSA-N -1 0 545.636 3.872 1 0 KHAFRM CC(=O)N[C@@H](Cc1ccc(C(=O)[O-])c(C=O)c1)C(=O)N[C@H]1CCCCc2cc(OCC3CCCCC3)c(C(N)=O)cc21 ZINC000003975575 561691939 /nfs/dbraw/zinc/69/19/39/561691939.db2.gz MXUORUPLQRGMFJ-NSOVKSMOSA-N -1 0 577.678 3.886 1 0 KHAFRM C/C=C/[C@H](CC(=O)[O-])NC(=O)CN(CCCOC)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000003981130 561692512 /nfs/dbraw/zinc/69/25/12/561692512.db2.gz WLIMZAMCORVXBU-VURDRKPISA-N -1 0 524.618 3.582 1 0 KHAFRM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000003992397 561693558 /nfs/dbraw/zinc/69/35/58/561693558.db2.gz MLGBLCHXNBTYRD-UXHICEINSA-N -1 0 515.415 3.877 1 0 KHAFRM CCCOc1ccc(S(=O)(=O)N2CCC(C[P@](=O)([O-])OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000004837667 561695539 /nfs/dbraw/zinc/69/55/39/561695539.db2.gz WUUHQGRDQLQCMN-UHFFFAOYSA-N -1 0 595.659 3.688 1 0 KHAFRM CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)C(F)(F)F ZINC000005729400 561697735 /nfs/dbraw/zinc/69/77/35/561697735.db2.gz JSOJHHYESBAOPR-HSZRJFAPSA-N -1 0 551.547 3.558 1 0 KHAFRM CCOC(=O)[C@](NC(=O)c1ccccc1)(c1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)C(F)(F)F ZINC000005729404 561697768 /nfs/dbraw/zinc/69/77/68/561697768.db2.gz WAIZHHOODAMWKP-JOCHJYFZSA-N -1 0 525.505 3.843 1 0 KHAFRM COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc(C(=O)[O-])cc3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000005733350 561697895 /nfs/dbraw/zinc/69/78/95/561697895.db2.gz CZXDFQJUHGPKOF-XELASAAXSA-N -1 0 519.506 3.924 1 0 KHAFRM CCOC(=O)[C@](NC(=O)c1ccccc1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)C(F)(F)F ZINC000005742233 561698154 /nfs/dbraw/zinc/69/81/54/561698154.db2.gz IGMYVWWOMXTEHQ-NDEPHWFRSA-N -1 0 604.557 3.547 1 0 KHAFRM CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1)C(F)(F)F ZINC000005742236 561698175 /nfs/dbraw/zinc/69/81/75/561698175.db2.gz DKLYJKHOELTXQL-HHHXNRCGSA-N -1 0 626.991 3.886 1 0 KHAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)[O-])C(C)C)C(C)C ZINC000005846828 561699499 /nfs/dbraw/zinc/69/94/99/561699499.db2.gz MMXJFHDITMPJIO-RSYZFUPGSA-N -1 0 604.789 3.656 1 0 KHAFRM CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)C(F)(F)F ZINC000006023749 561702073 /nfs/dbraw/zinc/70/20/73/561702073.db2.gz JSOJHHYESBAOPR-QHCPKHFHSA-N -1 0 551.547 3.558 1 0 KHAFRM CCOC(=O)[C@@](NC(=O)c1ccccc1)(c1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)C(F)(F)F ZINC000006023751 561702103 /nfs/dbraw/zinc/70/21/03/561702103.db2.gz WAIZHHOODAMWKP-QFIPXVFZSA-N -1 0 525.505 3.843 1 0 KHAFRM CCOC(=O)c1sc([N-]c2nc3c(c(N4CCN(C)CC4)n2)CCN3Cc2cc(OC)c(OC)c(OC)c2)nc1C ZINC000006733307 561703195 /nfs/dbraw/zinc/70/31/95/561703195.db2.gz GTMHFFSKLZXYRC-UHFFFAOYSA-N -1 0 583.715 3.502 1 0 KHAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4ccccc4Br)CC3)cc21 ZINC000009601941 561709185 /nfs/dbraw/zinc/70/91/85/561709185.db2.gz OVSKEOYFMUKGPC-UHFFFAOYSA-N -1 0 502.340 3.584 1 0 KHAFRM [NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N(CC(=O)[O-])C1Cc2ccccc2C1 ZINC000011686191 561709721 /nfs/dbraw/zinc/70/97/21/561709721.db2.gz OITITPKEAFZDQE-VWLOTQADSA-N -1 0 516.575 3.790 1 0 KHAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@H]1[C@H](O)C(COC(=O)C[C@](C)(O)CC(=O)[O-])=CC2=O ZINC000013432884 560216674 /nfs/dbraw/zinc/21/66/74/560216674.db2.gz FNYGZAACUPOPCK-JLVYEAHOSA-N -1 0 504.620 3.962 1 0 in-vitro KHAFRM O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc2ccsc2c1 ZINC000013436103 561711851 /nfs/dbraw/zinc/71/18/51/561711851.db2.gz UVRKETLYFWGQPV-UGKGYDQZSA-N -1 0 506.628 3.768 1 0 KHAFRM COc1ccc(-c2cccc(NC(=O)c3ncc[nH]3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013436782 561712006 /nfs/dbraw/zinc/71/20/06/561712006.db2.gz WFEMDLZVOIXNLK-NRFANRHFSA-N -1 0 520.567 3.832 1 0 KHAFRM COc1ccc(-c2cccc(NC(=O)c3ncc[nH]3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013436785 561712068 /nfs/dbraw/zinc/71/20/68/561712068.db2.gz WFEMDLZVOIXNLK-OAQYLSRUSA-N -1 0 520.567 3.832 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1ccc(OCC(=O)[O-])cc1)C(=O)c1nc2c(cccc2OC(=O)C(C)(C)C)o1 ZINC000013438232 561712077 /nfs/dbraw/zinc/71/20/77/561712077.db2.gz RMFCQAPICUNNOK-QFIPXVFZSA-N -1 0 526.542 3.645 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(F)c1 ZINC000013438539 561712270 /nfs/dbraw/zinc/71/22/70/561712270.db2.gz BFUNHUAVQQJHFB-SJORKVTESA-N -1 0 509.770 3.881 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OC2CC2)cc1 ZINC000013438552 561712237 /nfs/dbraw/zinc/71/22/37/561712237.db2.gz QHVMOHLLRYTFPS-UXHICEINSA-N -1 0 513.399 3.630 1 0 KHAFRM O=C([O-])[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000013438699 561712263 /nfs/dbraw/zinc/71/22/63/561712263.db2.gz YVTBYYRAVCBZCJ-ROUUACIJSA-N -1 0 505.807 3.612 1 0 KHAFRM O=C([O-])[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000013438702 561712250 /nfs/dbraw/zinc/71/22/50/561712250.db2.gz LYBFJWLDWYPLFI-ROUUACIJSA-N -1 0 505.807 3.612 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000013438705 561712240 /nfs/dbraw/zinc/71/22/40/561712240.db2.gz CRLOUCQPUXMUCD-ROUUACIJSA-N -1 0 505.807 3.612 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)c1ccc2ccccc2c1 ZINC000013441572 561712770 /nfs/dbraw/zinc/71/27/70/561712770.db2.gz ITJUXSPTLRWMDJ-JOCHJYFZSA-N -1 0 514.538 3.817 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)c1ccc2ccccc2c1 ZINC000013441574 561712738 /nfs/dbraw/zinc/71/27/38/561712738.db2.gz ITJUXSPTLRWMDJ-QFIPXVFZSA-N -1 0 514.538 3.817 1 0 KHAFRM CCCNc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])nc(OC)n1 ZINC000013442587 561712866 /nfs/dbraw/zinc/71/28/66/561712866.db2.gz UMEFGQPFQYDAQM-INIZCTEOSA-N -1 0 520.377 3.764 1 0 KHAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc3cnn(C(=O)NCC(=O)[O-])c3c2)cc1 ZINC000013474608 561714507 /nfs/dbraw/zinc/71/45/07/561714507.db2.gz UCZAVTBTOGJNBV-UHFFFAOYSA-N -1 0 500.515 3.812 1 0 KHAFRM O=C([O-])C[C@@H]1CCN(CC(=O)NCC2CCC(Nc3nc4ccccc4[nH]3)CC2)C(=O)c2ccccc21 ZINC000013478079 561714791 /nfs/dbraw/zinc/71/47/91/561714791.db2.gz CUCPNSCJNRCZCA-GPJFCIFZSA-N -1 0 503.603 3.754 1 0 KHAFRM O=C([O-])C[C@H]1CCN(CC(=O)NCC2CCC(Nc3nc4ccccc4[nH]3)CC2)C(=O)c2ccccc21 ZINC000013478081 561714809 /nfs/dbraw/zinc/71/48/09/561714809.db2.gz CUCPNSCJNRCZCA-IOJLRTSASA-N -1 0 503.603 3.754 1 0 KHAFRM CC(=O)N1CSC[C@@H]1C(=O)N/C(=C\c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000013488054 561715489 /nfs/dbraw/zinc/71/54/89/561715489.db2.gz IGLYUZCYFMFTLJ-ZTXRYZOMSA-N -1 0 508.383 3.709 1 0 KHAFRM CC(=O)N1CSC[C@@H]1C(=O)N/C(=C/c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000013488055 561715535 /nfs/dbraw/zinc/71/55/35/561715535.db2.gz IGLYUZCYFMFTLJ-JIARHERNSA-N -1 0 508.383 3.709 1 0 KHAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCC2)C(=O)[O-])cc1 ZINC000013488145 561715473 /nfs/dbraw/zinc/71/54/73/561715473.db2.gz DXZXXIJEZVYUJW-QFIPXVFZSA-N -1 0 523.607 3.879 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c(n2)NCCC3)ccc1C1CC1)c1cccc(F)c1 ZINC000013489944 561715996 /nfs/dbraw/zinc/71/59/96/561715996.db2.gz GSUDEEPNSDSFMO-QHCPKHFHSA-N -1 0 519.577 3.562 1 0 KHAFRM CCCN(CCC)C(=O)c1cncc(C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc2ccc(F)cc2)c1 ZINC000013533729 561717751 /nfs/dbraw/zinc/71/77/51/561717751.db2.gz RTQSHDDOUVVUPT-NRFANRHFSA-N -1 0 503.596 3.559 1 0 KHAFRM COc1ccc(Cl)cc1C(=O)NCCc1ccc(OC)c(S(=O)(=O)[N-]C(=O)NC2CCCCC2)c1 ZINC000013558410 561719210 /nfs/dbraw/zinc/71/92/10/561719210.db2.gz XZWQPPZJYWRCJA-UHFFFAOYSA-N -1 0 524.039 3.650 1 0 KHAFRM CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1ccccc1 ZINC000013558429 561719306 /nfs/dbraw/zinc/71/93/06/561719306.db2.gz BQQPPZPTUOXADD-UHFFFAOYSA-N -1 0 518.060 3.771 1 0 KHAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2S(C)(=O)=O)c1Cl ZINC000013560316 561719729 /nfs/dbraw/zinc/71/97/29/561719729.db2.gz CAMTYBNKRSCYOA-UHFFFAOYSA-N -1 0 504.011 3.771 1 0 KHAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CN(C)c2ccccc2)C(=O)[O-])cc1 ZINC000013587697 561720930 /nfs/dbraw/zinc/72/09/30/561720930.db2.gz CRRZARJNNKORLN-DEOSSOPVSA-N -1 0 503.665 3.518 1 0 KHAFRM CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1 ZINC000013589575 561721322 /nfs/dbraw/zinc/72/13/22/561721322.db2.gz XESSXNSMLGKGGE-RDPSFJRHSA-N -1 0 513.591 3.523 1 0 KHAFRM CSC1(SC)C[C@@H](C(=O)[O-])N(C(=O)[C@H](CCCC[NH3+])O[P@](=O)([O-])CCCCc2ccccc2)C1 ZINC000013600030 561721454 /nfs/dbraw/zinc/72/14/54/561721454.db2.gz LUBUWWJQDKOGJU-PMACEKPBSA-N -1 0 532.665 3.817 1 0 KHAFRM [NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1CC2(C[C@H]1C(=O)[O-])SCCS2 ZINC000013600043 561721470 /nfs/dbraw/zinc/72/14/70/561721470.db2.gz IXBHIQKODCOORP-PMACEKPBSA-N -1 0 530.649 3.571 1 0 KHAFRM [NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N(CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000013600050 561721484 /nfs/dbraw/zinc/72/14/84/561721484.db2.gz JIRRQHFGEPCVJU-QFIPXVFZSA-N -1 0 520.519 3.555 1 0 KHAFRM O=C([O-])CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1 ZINC000013643157 561722093 /nfs/dbraw/zinc/72/20/93/561722093.db2.gz MFTMRQDQKJTSPG-QFIPXVFZSA-N -1 0 523.586 3.999 1 0 KHAFRM CS(=O)(=O)N1CCN(C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCC3)c2-c2ccccc2)CC1 ZINC000013646638 561722736 /nfs/dbraw/zinc/72/27/36/561722736.db2.gz YZKMCBCPFSVJFA-UHFFFAOYSA-N -1 0 509.628 3.768 1 0 KHAFRM CCCn1c2cc(-c3ccc(OCC(=O)Nc4ccc(CC(=O)[O-])cc4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000013678746 561724371 /nfs/dbraw/zinc/72/43/71/561724371.db2.gz UUSZMPVCNIYGRD-UHFFFAOYSA-N -1 0 518.570 3.623 1 0 KHAFRM Cn1ncc(OC(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000013704602 561725054 /nfs/dbraw/zinc/72/50/54/561725054.db2.gz NKMZFGYUMYFYSM-HNNXBMFYSA-N -1 0 512.296 3.781 1 0 KHAFRM Cn1ncc(N2CCCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000013704612 561724977 /nfs/dbraw/zinc/72/49/77/561724977.db2.gz YCYMAXCEGBEEOT-IBGZPJMESA-N -1 0 515.397 3.780 1 0 KHAFRM CN(CC(=O)[O-])C(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000013745222 561726593 /nfs/dbraw/zinc/72/65/93/561726593.db2.gz QFWDWGKMJFQQKU-LJQANCHMSA-N -1 0 512.434 3.598 1 0 KHAFRM O=C([O-])CCNC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000013745224 561726653 /nfs/dbraw/zinc/72/66/53/561726653.db2.gz UGYJMHLSEXFRHE-LJQANCHMSA-N -1 0 512.434 3.646 1 0 KHAFRM C[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000013745229 561726570 /nfs/dbraw/zinc/72/65/70/561726570.db2.gz OPPCWYQHSVFLDO-DNVCBOLYSA-N -1 0 512.434 3.644 1 0 KHAFRM C[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000013745231 561726555 /nfs/dbraw/zinc/72/65/55/561726555.db2.gz OPPCWYQHSVFLDO-HNAYVOBHSA-N -1 0 512.434 3.644 1 0 KHAFRM O=C([O-])[C@]1(OCc2ccc(-c3ccccc3)cc2)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000013760877 561727686 /nfs/dbraw/zinc/72/76/86/561727686.db2.gz VDNZTZIQXQNHFJ-ZAUWWLRMSA-N -1 0 504.535 3.540 1 0 KHAFRM O=C([O-])c1[nH]c(I)c(I)c1/C=C/C(=O)Nc1ccccc1 ZINC000013778839 561728794 /nfs/dbraw/zinc/72/87/94/561728794.db2.gz COGHVODXNXHCAH-VOTSOKGWSA-N -1 0 508.053 3.574 1 0 KHAFRM [NH3+][C@@H](CCc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013807087 561731487 /nfs/dbraw/zinc/73/14/87/561731487.db2.gz JTAAVCLLJKZKRA-UODIDJSMSA-N -1 0 508.555 3.845 1 0 KHAFRM [NH3+][C@H](CCc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013807089 561731443 /nfs/dbraw/zinc/73/14/43/561731443.db2.gz JTAAVCLLJKZKRA-ZNZIZOMTSA-N -1 0 508.555 3.845 1 0 KHAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2NC(=O)Oc2ccc3c(c2)OCO3)c1Br ZINC000013815647 561732030 /nfs/dbraw/zinc/73/20/30/561732030.db2.gz IXEOGBXRZGGWAW-UHFFFAOYSA-N -1 0 502.324 3.947 1 0 KHAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2NC(=O)Nc2ccc3c(c2)OCO3)c1Br ZINC000013815656 561732012 /nfs/dbraw/zinc/73/20/12/561732012.db2.gz PTJMLGSZIHLGQN-UHFFFAOYSA-N -1 0 501.340 3.981 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000013819741 561732456 /nfs/dbraw/zinc/73/24/56/561732456.db2.gz VYXXNEGADRDFRX-IPJJNNNSSA-N -1 0 506.571 3.845 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000013819743 561732444 /nfs/dbraw/zinc/73/24/44/561732444.db2.gz VYXXNEGADRDFRX-CNNODRBYSA-N -1 0 506.571 3.845 1 0 KHAFRM CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc([N-]S(=O)(=O)C(F)(F)F)ccc3[nH]2)CC1 ZINC000013827418 561733006 /nfs/dbraw/zinc/73/30/06/561733006.db2.gz PUPVAMYNUHQSGU-UHFFFAOYSA-N -1 0 510.542 3.607 1 0 KHAFRM CCCCc1nn([C@@H](C(=O)[O-])c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832705 561733719 /nfs/dbraw/zinc/73/37/19/561733719.db2.gz HECADOVVTBUIIE-RUZDIDTESA-N -1 0 509.570 3.957 1 0 KHAFRM CC(C)c1nc(-c2cccc(S(C)(=O)=O)c2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013833966 561733957 /nfs/dbraw/zinc/73/39/57/561733957.db2.gz VCWDRTWXFLVEDT-LKWCPCFXSA-N -1 0 516.591 3.940 1 0 KHAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC000013863405 561735000 /nfs/dbraw/zinc/73/50/00/561735000.db2.gz LFOGEPKUSWRLCL-QFIPXVFZSA-N -1 0 504.605 3.741 1 0 KHAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC000013863406 561735007 /nfs/dbraw/zinc/73/50/07/561735007.db2.gz LFOGEPKUSWRLCL-JOCHJYFZSA-N -1 0 504.605 3.741 1 0 KHAFRM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(CCc1ccccc1)C(=O)[C@H](CC(=O)[O-])N2 ZINC000013907692 561735589 /nfs/dbraw/zinc/73/55/89/561735589.db2.gz BXJLQGWJERMQBC-VWLOTQADSA-N -1 0 511.582 3.675 1 0 KHAFRM CN1Cc2cc(C(=O)N(CCc3ccccc3)Cc3nc4ccccc4[nH]3)ccc2N[C@@H](CC(=O)[O-])C1=O ZINC000013907693 561735653 /nfs/dbraw/zinc/73/56/53/561735653.db2.gz ABPWJLYVKAKIJL-VWLOTQADSA-N -1 0 511.582 3.675 1 0 KHAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1ccccc1 ZINC000014088137 561736153 /nfs/dbraw/zinc/73/61/53/561736153.db2.gz OIZNVJYVTRGWJM-OZNIXHKMSA-N -1 0 635.762 3.945 1 0 KHAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)NCc1ccccc1 ZINC000014088143 561736110 /nfs/dbraw/zinc/73/61/10/561736110.db2.gz WOJLZPBPKJJLAG-KWXIBIRDSA-N -1 0 636.750 3.695 1 0 KHAFRM Cc1cc(COc2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3n[nH]c(=O)[n-]3)cc2)c2ccccc2n1 ZINC000014190781 561737424 /nfs/dbraw/zinc/73/74/24/561737424.db2.gz SBINJYYFUVHVNU-UPVQGACJSA-N -1 0 544.612 3.667 1 0 KHAFRM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)[N-]S(C)(=O)=O)c1)C[C@@H]2c1ccccc1 ZINC000014286696 561739269 /nfs/dbraw/zinc/73/92/69/561739269.db2.gz NWLBBDKAIZNTHK-CLJLJLNGSA-N -1 0 619.744 3.658 1 0 KHAFRM CC(=O)N/C(=C\c1ccc(CC(=O)[O-])c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000014880609 561740020 /nfs/dbraw/zinc/74/00/20/561740020.db2.gz NKMPOVPTYDXGEC-MNRBYUMSSA-N -1 0 567.642 3.968 1 0 in-vivo KHAFRM CC(=O)N[C@@H](Cc1ccc(C(=O)[O-])c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000014880680 561740034 /nfs/dbraw/zinc/74/00/34/561740034.db2.gz WKTQBTSOHBKBRW-VMPREFPWSA-N -1 0 555.631 3.609 1 0 in-vivo KHAFRM O=C([O-])C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)s1)C(=O)CSCc1ccccc1Cl ZINC000014942810 561740331 /nfs/dbraw/zinc/74/03/31/561740331.db2.gz OEBJUDGECLJUTH-FQEVSTJZSA-N -1 0 567.110 3.956 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)cc2)s1)C(=O)CSCc1ccccc1Cl ZINC000014942811 561740321 /nfs/dbraw/zinc/74/03/21/561740321.db2.gz HHAHHFFADDXEEC-FQEVSTJZSA-N -1 0 583.109 3.661 1 0 KHAFRM O=C(N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc([O-])c(C(=O)c2ccc3ccccc3c2[O-])c(O)c1)c1ccc(O)cc1 ZINC000014944138 561742097 /nfs/dbraw/zinc/74/20/97/561742097.db2.gz ZAJQYUWPDCAPGD-ZEQKJWHPSA-N -1 0 556.571 3.601 1 0 KHAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)NCCc2ccccc2)C(=O)[O-])cc1 ZINC000014946738 561744314 /nfs/dbraw/zinc/74/43/14/561744314.db2.gz SJDCULKXPKZGGR-DEOSSOPVSA-N -1 0 503.665 3.807 1 0 KHAFRM COc1ccc(Br)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C ZINC000014947273 561744528 /nfs/dbraw/zinc/74/45/28/561744528.db2.gz VGTVMULINBNZTO-CPJSRVTESA-N -1 0 579.513 3.603 1 0 KHAFRM CC(C)[C@H](NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1 ZINC000014947288 561744559 /nfs/dbraw/zinc/74/45/59/561744559.db2.gz NIPMRQKBSDRVPG-LSYYVWMOSA-N -1 0 562.688 3.525 1 0 KHAFRM COc1ccc(OC)c(CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc2c(F)cccc2Cl)C(C)C)c1 ZINC000014947382 561744689 /nfs/dbraw/zinc/74/46/89/561744689.db2.gz RNMMZKILPCPBLO-LVXARBLLSA-N -1 0 583.078 3.642 1 0 KHAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952932 561746499 /nfs/dbraw/zinc/74/64/99/561746499.db2.gz RNRQTNIFZXXHQT-VXKWHMMOSA-N -1 0 528.587 3.695 1 0 KHAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952938 561746492 /nfs/dbraw/zinc/74/64/92/561746492.db2.gz RNRQTNIFZXXHQT-FCHUYYIVSA-N -1 0 528.587 3.695 1 0 KHAFRM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000014952943 561746489 /nfs/dbraw/zinc/74/64/89/561746489.db2.gz MKMFGXFLVGUOEJ-GOTSBHOMSA-N -1 0 524.624 3.865 1 0 KHAFRM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1 ZINC000014952948 561746501 /nfs/dbraw/zinc/74/65/01/561746501.db2.gz MKMFGXFLVGUOEJ-XZOQPEGZSA-N -1 0 524.624 3.865 1 0 KHAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952987 561746504 /nfs/dbraw/zinc/74/65/04/561746504.db2.gz FPVQYSDLOLMLEE-VXKWHMMOSA-N -1 0 510.597 3.556 1 0 KHAFRM Cc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)c1nc2ccccc2[nH]1 ZINC000014953019 561746474 /nfs/dbraw/zinc/74/64/74/561746474.db2.gz MQPIEJGFUCJWGT-GMAHTHKFSA-N -1 0 524.624 3.865 1 0 KHAFRM Cc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc([C@H]2CC(=O)[N-]S2(=O)=O)cc1)c1nc2ccccc2[nH]1 ZINC000014953024 561746476 /nfs/dbraw/zinc/74/64/76/561746476.db2.gz MQPIEJGFUCJWGT-JTHBVZDNSA-N -1 0 524.624 3.865 1 0 KHAFRM COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(/C=C\C(=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000014954206 561746847 /nfs/dbraw/zinc/74/68/47/561746847.db2.gz FZSSOUCLYYRIIU-NALLFNBYSA-N -1 0 556.612 3.688 1 0 KHAFRM CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)C[C@@H](CC)C(=O)NCCC(=O)[O-])c1 ZINC000014962124 561748658 /nfs/dbraw/zinc/74/86/58/561748658.db2.gz IQPUAQWXFYEAKS-AIGMYPEUSA-N -1 0 589.680 3.936 1 0 KHAFRM C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964695 561749444 /nfs/dbraw/zinc/74/94/44/561749444.db2.gz CHWSPBPQRLZHPM-GOSISDBHSA-N -1 0 500.621 3.670 1 0 KHAFRM C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964700 561749519 /nfs/dbraw/zinc/74/95/19/561749519.db2.gz CHWSPBPQRLZHPM-SFHVURJKSA-N -1 0 500.621 3.670 1 0 KHAFRM O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2NC(=O)NCC[NH+]2CCCCC2)ccc2c1CCCC2 ZINC000014964705 561749549 /nfs/dbraw/zinc/74/95/49/561749549.db2.gz BMJWGPQATNXASR-UHFFFAOYSA-N -1 0 500.621 3.672 1 0 KHAFRM CC[NH+](CC)CCCCNC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964812 561749558 /nfs/dbraw/zinc/74/95/58/561749558.db2.gz YRLASUYPZHUUFG-UHFFFAOYSA-N -1 0 501.649 3.916 1 0 KHAFRM CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000014965729 561749799 /nfs/dbraw/zinc/74/97/99/561749799.db2.gz KWTWSYDWITXSOY-ARZWPRGASA-N -1 0 628.811 3.694 1 0 KHAFRM CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000014965733 561749761 /nfs/dbraw/zinc/74/97/61/561749761.db2.gz KWTWSYDWITXSOY-IMAVGDMBSA-N -1 0 628.811 3.694 1 0 in-vitro KHAFRM CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C/C=C/CC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000014965737 561749784 /nfs/dbraw/zinc/74/97/84/561749784.db2.gz KWTWSYDWITXSOY-ZWHJEKBESA-N -1 0 628.811 3.694 1 0 KHAFRM CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C/C=C/CC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000014965741 561749802 /nfs/dbraw/zinc/74/98/02/561749802.db2.gz KWTWSYDWITXSOY-XGKOOCBOSA-N -1 0 628.811 3.694 1 0 KHAFRM COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2CSc2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cc1 ZINC000014966584 561749986 /nfs/dbraw/zinc/74/99/86/561749986.db2.gz IJDCSVYTXFLAHR-XMMPIXPASA-N -1 0 621.712 3.588 1 0 KHAFRM CCn1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000014967847 561750318 /nfs/dbraw/zinc/75/03/18/561750318.db2.gz PQMAYIKJNUIXMQ-DNQXCXABSA-N -1 0 554.615 3.858 1 0 KHAFRM CC(C)c1c(C(=O)N(C)Cc2cccc(F)c2F)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967863 561750332 /nfs/dbraw/zinc/75/03/32/561750332.db2.gz FAVJTEGZSHCVRL-UXHICEINSA-N -1 0 549.546 3.651 1 0 KHAFRM Cc1ccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc1 ZINC000014967867 561750341 /nfs/dbraw/zinc/75/03/41/561750341.db2.gz JNCIACHLMHSYJU-PKTZIBPZSA-N -1 0 527.593 3.681 1 0 KHAFRM CC(C)c1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967894 561750350 /nfs/dbraw/zinc/75/03/50/561750350.db2.gz ASGGBKLLSUVRRU-RTWAWAEBSA-N -1 0 533.984 3.684 1 0 KHAFRM CC(C)c1c(C(=O)NCc2cccc(Cl)c2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967898 561750293 /nfs/dbraw/zinc/75/02/93/561750293.db2.gz PUALIFUATFGGNY-RTWAWAEBSA-N -1 0 533.984 3.684 1 0 KHAFRM CC(C)c1c(C(=O)NCc2ccccc2Cl)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967902 561750307 /nfs/dbraw/zinc/75/03/07/561750307.db2.gz AXWOBMBZJFXJAC-UXHICEINSA-N -1 0 533.984 3.684 1 0 KHAFRM CCOc1cccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1 ZINC000014967906 561750348 /nfs/dbraw/zinc/75/03/48/561750348.db2.gz SFOKJHOOHWHHIX-PKTZIBPZSA-N -1 0 557.619 3.771 1 0 KHAFRM CC(C)c1c(C(=O)N(C)Cc2cccc(F)c2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967914 561750305 /nfs/dbraw/zinc/75/03/05/561750305.db2.gz BNRHLGGVKRLQEG-YADHBBJMSA-N -1 0 531.556 3.512 1 0 KHAFRM Cc1cccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1 ZINC000014967922 561750336 /nfs/dbraw/zinc/75/03/36/561750336.db2.gz RHTZNQGDXQSHKZ-PKTZIBPZSA-N -1 0 527.593 3.681 1 0 KHAFRM CC(C)c1c(C(=O)N(C)Cc2ccc(F)c(F)c2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967934 561750320 /nfs/dbraw/zinc/75/03/20/561750320.db2.gz YQOFXCGHHBKOJH-UXHICEINSA-N -1 0 549.546 3.651 1 0 KHAFRM CC(C)c1c(C(=O)N(C)Cc2ccccc2F)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967938 561750316 /nfs/dbraw/zinc/75/03/16/561750316.db2.gz HQTDHJQRDITCKI-RTWAWAEBSA-N -1 0 531.556 3.512 1 0 KHAFRM CC(C)c1c(C(=O)N(C)Cc2ccc(F)cc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967943 561750290 /nfs/dbraw/zinc/75/02/90/561750290.db2.gz WTJOYWFUYQGCLE-YADHBBJMSA-N -1 0 531.556 3.512 1 0 KHAFRM CC(C)c1c(C(=O)N(C)[C@H](C)c2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967947 561750297 /nfs/dbraw/zinc/75/02/97/561750297.db2.gz RLLOSQNXGYIGTB-YSZBQJHXSA-N -1 0 527.593 3.933 1 0 KHAFRM CCN(Cc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C ZINC000014967955 561750303 /nfs/dbraw/zinc/75/03/03/561750303.db2.gz DTJSSFGAPFKCJU-PKTZIBPZSA-N -1 0 527.593 3.763 1 0 KHAFRM CC(C)c1c(C(=O)N(C)CC2CCCCC2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967966 561750451 /nfs/dbraw/zinc/75/04/51/561750451.db2.gz LEEKGUHBAWHKQS-YADHBBJMSA-N -1 0 519.614 3.753 1 0 KHAFRM CC(C)c1c(C(=O)N(C)Cc2ccccc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014968003 561750440 /nfs/dbraw/zinc/75/04/40/561750440.db2.gz NKXSDKKNJJYOFA-DHIUTWEWSA-N -1 0 511.594 3.926 1 0 KHAFRM Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc1 ZINC000014968008 561750458 /nfs/dbraw/zinc/75/04/58/561750458.db2.gz LRVVTOGAGAXSRZ-DHIUTWEWSA-N -1 0 511.594 3.892 1 0 KHAFRM CC(C)(C)[C@@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)OC(=O)NCC(=O)CNS(=O)(=O)c1ccccn1 ZINC000014972258 561751478 /nfs/dbraw/zinc/75/14/78/561751478.db2.gz NKGFWSINYBGTKN-OAQYLSRUSA-N -1 0 567.590 3.652 1 0 KHAFRM CCCC[C@H](NC(=O)O[C@H](Cn1ccc(C(F)(F)F)n1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 ZINC000014972274 561751465 /nfs/dbraw/zinc/75/14/65/561751465.db2.gz ZPQUDRGVSRMTTR-QFBILLFUSA-N -1 0 547.600 3.544 1 0 KHAFRM COc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc1 ZINC000014974329 561752023 /nfs/dbraw/zinc/75/20/23/561752023.db2.gz VWXFVVDQBRERFE-FGZHOGPDSA-N -1 0 527.593 3.593 1 0 KHAFRM CC(C)c1c(C(=O)NCc2ccc(F)cc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974332 561751954 /nfs/dbraw/zinc/75/19/54/561751954.db2.gz RGTFLCOJZZNQIJ-FGZHOGPDSA-N -1 0 515.557 3.723 1 0 KHAFRM COCc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1 ZINC000014974335 561751969 /nfs/dbraw/zinc/75/19/69/561751969.db2.gz WQAAILYANIAJRP-DNQXCXABSA-N -1 0 541.620 3.730 1 0 KHAFRM COc1ccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc1 ZINC000014974360 561752012 /nfs/dbraw/zinc/75/20/12/561752012.db2.gz AEYTZQNRVNCKDQ-DHIUTWEWSA-N -1 0 541.620 3.935 1 0 KHAFRM O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3csc(-c4cccc(Cl)c4)n3)C2=O)c2cc(Cl)ccc21 ZINC000014976730 561752270 /nfs/dbraw/zinc/75/22/70/561752270.db2.gz NWLZEVBSBHXJKF-HSZRJFAPSA-N -1 0 516.362 3.745 1 0 KHAFRM O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3csc(-c4cccc(Cl)c4)n3)C2=O)c2cc(Cl)ccc21 ZINC000014976733 561752273 /nfs/dbraw/zinc/75/22/73/561752273.db2.gz NWLZEVBSBHXJKF-QHCPKHFHSA-N -1 0 516.362 3.745 1 0 KHAFRM O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3csc(-c4ccc(Cl)cc4)n3)C2=O)c2cc(Cl)ccc21 ZINC000014976736 561752250 /nfs/dbraw/zinc/75/22/50/561752250.db2.gz VJYXHXGNMCGAMT-HSZRJFAPSA-N -1 0 516.362 3.745 1 0 KHAFRM O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3csc(-c4ccc(Cl)cc4)n3)C2=O)c2cc(Cl)ccc21 ZINC000014976739 561752286 /nfs/dbraw/zinc/75/22/86/561752286.db2.gz VJYXHXGNMCGAMT-QHCPKHFHSA-N -1 0 516.362 3.745 1 0 KHAFRM CO[C@H]1[C@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C ZINC000017611743 561757103 /nfs/dbraw/zinc/75/71/03/561757103.db2.gz YJQPYGGHQPGBLI-JAVQUFKRSA-N -1 0 612.632 3.627 1 0 KHAFRM CO[C@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C ZINC000017611750 561757046 /nfs/dbraw/zinc/75/70/46/561757046.db2.gz YJQPYGGHQPGBLI-PTSPBZQHSA-N -1 0 612.632 3.627 1 0 KHAFRM Cc1cc(COc2ccc(C3(N4CCN(Cc5ccccc5)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000023254512 561761452 /nfs/dbraw/zinc/76/14/52/561761452.db2.gz WZUCVDGGDSHNQU-UHFFFAOYSA-N -1 0 549.631 3.501 1 0 KHAFRM CSCC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000025969106 561763243 /nfs/dbraw/zinc/76/32/43/561763243.db2.gz JFKJSFBAYQEYLM-HCSYYRSOSA-N -1 0 586.799 3.719 1 0 KHAFRM CSCC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000025969411 561763259 /nfs/dbraw/zinc/76/32/59/561763259.db2.gz OILUPETWJKBQOP-HJOGWXRNSA-N -1 0 542.702 3.581 1 0 KHAFRM CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000025973360 561763373 /nfs/dbraw/zinc/76/33/73/561763373.db2.gz IRRCGGPOOAUNHN-VABKMULXSA-N -1 0 563.120 3.926 1 0 KHAFRM CSCC[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000025973993 561763378 /nfs/dbraw/zinc/76/33/78/561763378.db2.gz PLCXJCVTPGXNOI-HJOGWXRNSA-N -1 0 542.702 3.581 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1NCCCC(F)(F)F ZINC000025996071 561765027 /nfs/dbraw/zinc/76/50/27/561765027.db2.gz YWDDITCNGGOQPT-OCAKYKPISA-N -1 0 559.328 3.767 1 0 KHAFRM CCC[C@@H](C)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000025998495 561765223 /nfs/dbraw/zinc/76/52/23/561765223.db2.gz FETXIQQMXPIQAE-UCQAGJHQSA-N -1 0 519.385 3.613 1 0 KHAFRM CCC[C@H](C)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000025998503 561765208 /nfs/dbraw/zinc/76/52/08/561765208.db2.gz FETXIQQMXPIQAE-QQLUTVQGSA-N -1 0 519.385 3.613 1 0 KHAFRM CCCCCNc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-] ZINC000025999269 561765261 /nfs/dbraw/zinc/76/52/61/561765261.db2.gz ISNXPZCKOMESQA-WBDNRJBNSA-N -1 0 519.385 3.615 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1Nc1ccccc1 ZINC000026002548 561765512 /nfs/dbraw/zinc/76/55/12/561765512.db2.gz NFTHXYFLRRPNBX-IJOFXMPTSA-N -1 0 525.348 3.757 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1NCc1ccccc1 ZINC000026004178 561765508 /nfs/dbraw/zinc/76/55/08/561765508.db2.gz ZHYVZDZGVAKZIR-SBQBCDPHSA-N -1 0 539.375 3.625 1 0 KHAFRM CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3cc(OC)ccc3OC)C(=O)[O-])cc2)c1 ZINC000026011654 561765811 /nfs/dbraw/zinc/76/58/11/561765811.db2.gz AJTNPMHRYFFXGR-QHCPKHFHSA-N -1 0 541.626 3.877 1 0 KHAFRM CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3ccc(OC)c(OC)c3)C(=O)[O-])cc2)c1 ZINC000026012243 561765893 /nfs/dbraw/zinc/76/58/93/561765893.db2.gz QLORBCUZQUYLNR-QHCPKHFHSA-N -1 0 541.626 3.877 1 0 KHAFRM COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)[O-])O1)OC ZINC000026143492 561766902 /nfs/dbraw/zinc/76/69/02/561766902.db2.gz RPXRWNOYALKECG-KNZBUQECSA-N -1 0 591.742 3.867 1 0 KHAFRM CC(=O)Nc1ccc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@@H]3SC2)cc1 ZINC000026145734 561767149 /nfs/dbraw/zinc/76/71/49/561767149.db2.gz QHDFJRDRKWOTOQ-OFNKIYASSA-N -1 0 610.497 3.640 1 0 KHAFRM CC(=O)Nc1ccc(C(=O)OCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc1 ZINC000026145739 561767137 /nfs/dbraw/zinc/76/71/37/561767137.db2.gz QHDFJRDRKWOTOQ-NFBKMPQASA-N -1 0 610.497 3.640 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc(-c2ccccc2)cc1 ZINC000026154229 561768016 /nfs/dbraw/zinc/76/80/16/561768016.db2.gz IWJUHLMPXHNRPU-JOCHJYFZSA-N -1 0 504.612 3.759 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccc(-c2ccccc2)cc1 ZINC000026154236 561768067 /nfs/dbraw/zinc/76/80/67/561768067.db2.gz IWJUHLMPXHNRPU-QFIPXVFZSA-N -1 0 504.612 3.759 1 0 KHAFRM O=C([O-])CCC(=O)N[C@@H](CNC(=O)C1(NC(=O)OC2C3CC4CC(C3)CC2C4)Cc2ccccc2C1)c1ccccc1 ZINC000026155017 561768055 /nfs/dbraw/zinc/76/80/55/561768055.db2.gz XTUJJBPCEMNEOB-NPBXLODWSA-N -1 0 573.690 3.913 1 0 KHAFRM CS(=O)(=O)c1ccc(Cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)[O-])c2)cc1 ZINC000026178721 561771342 /nfs/dbraw/zinc/77/13/42/561771342.db2.gz LABSAYWMYNVNIA-UHFFFAOYSA-N -1 0 536.071 3.873 1 0 KHAFRM CS(=O)(=O)c1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)[O-])c2)cc1 ZINC000026180884 561771748 /nfs/dbraw/zinc/77/17/48/561771748.db2.gz APRAJNSBABMOIP-UHFFFAOYSA-N -1 0 550.054 3.513 1 0 KHAFRM O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@@H](O)c2ccccc2)c(F)c1 ZINC000026266452 561776375 /nfs/dbraw/zinc/77/63/75/561776375.db2.gz UZNRSWPRFLZKFP-NABNVEFZSA-N -1 0 629.607 3.580 1 0 KHAFRM O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@H](O)c2ccccc2)c(F)c1 ZINC000026272023 561777474 /nfs/dbraw/zinc/77/74/74/561777474.db2.gz UZNRSWPRFLZKFP-PYGAOQJHSA-N -1 0 629.607 3.580 1 0 KHAFRM CC(C)CC(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F ZINC000026273527 561777705 /nfs/dbraw/zinc/77/77/05/561777705.db2.gz MBMOWJJGSNXFQB-YGOYIFOWSA-N -1 0 579.591 3.893 1 0 KHAFRM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000026279434 561778736 /nfs/dbraw/zinc/77/87/36/561778736.db2.gz MWFQXGMQWMVLRQ-NBGIEHNGSA-N -1 0 590.555 3.750 1 0 KHAFRM O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@@H](O)C2CCCCC2)c(F)c1 ZINC000026281234 561778984 /nfs/dbraw/zinc/77/89/84/561778984.db2.gz RYUJTJZNSCYAOB-NABNVEFZSA-N -1 0 635.655 3.788 1 0 KHAFRM CCC(CC)[C@@H](O)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F ZINC000026281238 561778994 /nfs/dbraw/zinc/77/89/94/561778994.db2.gz MHECPOSZQTZJMS-AESDOZTDSA-N -1 0 623.644 3.644 1 0 KHAFRM CCC(CC)[C@H](O)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F ZINC000026281244 561778987 /nfs/dbraw/zinc/77/89/87/561778987.db2.gz MHECPOSZQTZJMS-GIPULPQISA-N -1 0 623.644 3.644 1 0 KHAFRM CC(C)COC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(C(=O)[O-])cc1Cl)C(C)C ZINC000026282513 561779230 /nfs/dbraw/zinc/77/92/30/561779230.db2.gz IUZHSMGDOMNJSI-FIXSFTCYSA-N -1 0 633.133 3.775 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)OCCc1ccccc1 ZINC000026285862 561779726 /nfs/dbraw/zinc/77/97/26/561779726.db2.gz GHIGRUBFNJAQFH-IARZGTGTSA-N -1 0 636.746 3.880 1 0 KHAFRM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026286431 561779949 /nfs/dbraw/zinc/77/99/49/561779949.db2.gz ISZXHKGBLCZAQE-PGRDOPGGSA-N -1 0 553.395 3.630 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)OCCc1ccccc1 ZINC000026287422 561779958 /nfs/dbraw/zinc/77/99/58/561779958.db2.gz GHIGRUBFNJAQFH-KCHLEUMXSA-N -1 0 636.746 3.880 1 0 KHAFRM CCCc1nc(C(=O)N2CCN(c3ccccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026289749 561780303 /nfs/dbraw/zinc/78/03/03/561780303.db2.gz IJRCAHZGYYDUON-UHFFFAOYSA-N -1 0 577.649 3.787 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)OCCc1ccc(F)cc1 ZINC000026294105 561781167 /nfs/dbraw/zinc/78/11/67/561781167.db2.gz RPSGKGMFPXPIKW-DTXPUJKBSA-N -1 0 725.815 3.525 1 0 KHAFRM CCCc1nc(CN2CCN(c3ncccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026295361 561781278 /nfs/dbraw/zinc/78/12/78/561781278.db2.gz AXWUCCRVXUGJIS-UHFFFAOYSA-N -1 0 564.654 3.541 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)C[C@H]12 ZINC000026295633 561781511 /nfs/dbraw/zinc/78/15/11/561781511.db2.gz OWPQZUDENMZPAL-DSNGMDLFSA-N -1 0 589.649 3.808 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)C[C@H]12 ZINC000026295637 561781524 /nfs/dbraw/zinc/78/15/24/561781524.db2.gz OWPQZUDENMZPAL-CCDWMCETSA-N -1 0 589.649 3.808 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)C[C@@H]12 ZINC000026295642 561781479 /nfs/dbraw/zinc/78/14/79/561781479.db2.gz OWPQZUDENMZPAL-DSITVLBTSA-N -1 0 589.649 3.808 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)C[C@@H]12 ZINC000026295647 561781420 /nfs/dbraw/zinc/78/14/20/561781420.db2.gz OWPQZUDENMZPAL-SDHOMARFSA-N -1 0 589.649 3.808 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N([C@@H](Cc3ccccc3)C(=O)[O-])C(=O)C[C@H]12 ZINC000026296541 561781609 /nfs/dbraw/zinc/78/16/09/561781609.db2.gz WOFPEPLFRQSPDN-RAVGUYNFSA-N -1 0 617.703 3.601 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N([C@@H](Cc3ccccc3)C(=O)[O-])C(=O)C[C@@H]12 ZINC000026296551 561781611 /nfs/dbraw/zinc/78/16/11/561781611.db2.gz WOFPEPLFRQSPDN-WKAQUBQDSA-N -1 0 617.703 3.601 1 0 KHAFRM CCc1nc(CN2CCN(c3ccccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026296600 561781600 /nfs/dbraw/zinc/78/16/00/561781600.db2.gz RVXJRHYYTDDLLK-UHFFFAOYSA-N -1 0 549.639 3.756 1 0 KHAFRM CCCCOP(=O)(OCCCC)OC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2CC1 ZINC000026377282 561782473 /nfs/dbraw/zinc/78/24/73/561782473.db2.gz ZNIQMXJPFCYRAD-NQIIRXRSSA-N -1 0 524.507 3.609 1 0 KHAFRM CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C)C(N)=O ZINC000026385923 561784367 /nfs/dbraw/zinc/78/43/67/561784367.db2.gz LIENTGAUXNCIDX-ORYMTKCHSA-N -1 0 648.741 3.881 1 0 KHAFRM CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(C)C)C(N)=O ZINC000026385927 561784428 /nfs/dbraw/zinc/78/44/28/561784428.db2.gz LIENTGAUXNCIDX-BHSUFKTOSA-N -1 0 648.741 3.881 1 0 KHAFRM CC(C)C[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000026386472 561784577 /nfs/dbraw/zinc/78/45/77/561784577.db2.gz OTCGCTBMZPFCLT-QWIXEWJCSA-N -1 0 672.625 3.880 1 0 KHAFRM CC(C)C[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000026386476 561784560 /nfs/dbraw/zinc/78/45/60/561784560.db2.gz OTCGCTBMZPFCLT-XITLMBMTSA-N -1 0 672.625 3.880 1 0 KHAFRM CC(C)C[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000026386481 561784507 /nfs/dbraw/zinc/78/45/07/561784507.db2.gz OTCGCTBMZPFCLT-BPHHYWDRSA-N -1 0 672.625 3.880 1 0 KHAFRM CC(C)C[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000026386486 561784601 /nfs/dbraw/zinc/78/46/01/561784601.db2.gz OTCGCTBMZPFCLT-LRMUXRFUSA-N -1 0 672.625 3.880 1 0 KHAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1CCCC1)C(=O)[O-] ZINC000026392090 561786058 /nfs/dbraw/zinc/78/60/58/561786058.db2.gz WTFHRJMLAYUNGL-DNVJHFABSA-N -1 0 606.562 3.937 1 0 KHAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1CCCC1)C(=O)[O-] ZINC000026392095 561786015 /nfs/dbraw/zinc/78/60/15/561786015.db2.gz WTFHRJMLAYUNGL-YTFSRNRJSA-N -1 0 606.562 3.937 1 0 KHAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCC1)C(=O)[O-] ZINC000026392099 561786064 /nfs/dbraw/zinc/78/60/64/561786064.db2.gz WTFHRJMLAYUNGL-XPWALMASSA-N -1 0 606.562 3.937 1 0 KHAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCC1)C(=O)[O-] ZINC000026392103 561786062 /nfs/dbraw/zinc/78/60/62/561786062.db2.gz WTFHRJMLAYUNGL-RJGXRXQPSA-N -1 0 606.562 3.937 1 0 KHAFRM COc1ccc(CCC[C@H](CC(=O)[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000026393024 561786138 /nfs/dbraw/zinc/78/61/38/561786138.db2.gz JWBVNSRNJDQUGY-NAKRPHOHSA-N -1 0 601.766 3.570 1 0 KHAFRM Cc1ccc(CCC[C@H](CC(=O)[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000026394345 561786558 /nfs/dbraw/zinc/78/65/58/561786558.db2.gz OUOSIGGTYBFYMF-IAPPQJPRSA-N -1 0 585.767 3.870 1 0 KHAFRM NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccccc2)CC(=O)[O-])cc1 ZINC000026395258 561786629 /nfs/dbraw/zinc/78/66/29/561786629.db2.gz CXBAZJDTLXTASG-VPUSJEBWSA-N -1 0 571.740 3.562 1 0 KHAFRM CC(=O)N[C@@H](Cc1ccc(C[P@](=O)([O-])Cc2ccccc2)cc1)C(=O)NC1(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CCCCC1 ZINC000026396335 561787050 /nfs/dbraw/zinc/78/70/50/561787050.db2.gz YHBRYVQHXNPTRB-NHKHRBQYSA-N -1 0 624.719 3.684 1 0 KHAFRM CSCC[C@@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026400111 561788020 /nfs/dbraw/zinc/78/80/20/561788020.db2.gz XUXCOWLSMHJSSY-JONQCZDFSA-N -1 0 585.771 3.577 1 0 KHAFRM CSCC[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026400115 561788048 /nfs/dbraw/zinc/78/80/48/561788048.db2.gz XUXCOWLSMHJSSY-SWLHOSDCSA-N -1 0 585.771 3.577 1 0 KHAFRM CSCC[C@@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026400119 561788012 /nfs/dbraw/zinc/78/80/12/561788012.db2.gz XUXCOWLSMHJSSY-BAELCIPQSA-N -1 0 585.771 3.577 1 0 KHAFRM CSCC[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026400123 561788107 /nfs/dbraw/zinc/78/81/07/561788107.db2.gz XUXCOWLSMHJSSY-QNCJNMAHSA-N -1 0 585.771 3.577 1 0 KHAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H]([N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000026471074 561790562 /nfs/dbraw/zinc/79/05/62/561790562.db2.gz GRYDZKJJVDOFHM-CFLWJFKQSA-N -1 0 629.512 3.788 1 0 KHAFRM CCCNC(=O)N(C)S(=O)(=O)c1ccccc1-c1ccc(Cn2c(C(=O)OCC)nc(SC)c2C(=O)[O-])cc1 ZINC000026478438 561791429 /nfs/dbraw/zinc/79/14/29/561791429.db2.gz DDLNMLVTVFKHAT-UHFFFAOYSA-N -1 0 574.681 3.935 1 0 KHAFRM NC(=O)NCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026491710 561793390 /nfs/dbraw/zinc/79/33/90/561793390.db2.gz UHGBRBWWHMGFEZ-IBGZPJMESA-N -1 0 535.428 3.976 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NS(=O)(=O)c2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026492771 561793639 /nfs/dbraw/zinc/79/36/39/561793639.db2.gz KSXGCQYTBFTWBH-QFIPXVFZSA-N -1 0 705.504 3.543 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)[O-] ZINC000026495418 561794166 /nfs/dbraw/zinc/79/41/66/561794166.db2.gz OMDHXHZMZDKQQV-HJOGWXRNSA-N -1 0 559.704 3.762 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC1CCCCC1)C(=O)C(=O)[O-] ZINC000026495421 561794231 /nfs/dbraw/zinc/79/42/31/561794231.db2.gz OMDHXHZMZDKQQV-SGNDLWITSA-N -1 0 559.704 3.762 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)c2ccco2)cnc1-c1ccc(F)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026498217 561794814 /nfs/dbraw/zinc/79/48/14/561794814.db2.gz FHZOBWXQIMFMBA-IBGZPJMESA-N -1 0 659.410 3.587 1 0 KHAFRM C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)CCC(=O)[O-])C(=O)CCl ZINC000026499075 561795048 /nfs/dbraw/zinc/79/50/48/561795048.db2.gz RYQHJJAIVWOEGT-OQTVKGAKSA-N -1 0 510.986 3.558 1 0 KHAFRM CCCCC/C=C/c1cccc(C/C=C/[C@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@H](O)CCCC(=O)[O-])c1 ZINC000026499841 561795094 /nfs/dbraw/zinc/79/50/94/561795094.db2.gz LEFWLDLZLXZBKS-NSWUJPDZSA-N -1 0 520.692 3.625 1 0 KHAFRM COC(=O)[C@H](Cc1ccccc1)O[P@](=O)([O-])[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026501079 561795435 /nfs/dbraw/zinc/79/54/35/561795435.db2.gz ZZHDLOZXEAHENM-KMQNXVAFSA-N -1 0 611.717 3.789 1 0 in-vitro KHAFRM COC(=O)[C@H](Cc1ccccc1)O[P@](=O)([O-])[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026501082 561795472 /nfs/dbraw/zinc/79/54/72/561795472.db2.gz ZZHDLOZXEAHENM-CRJMXQGDSA-N -1 0 611.717 3.789 1 0 KHAFRM CS(=O)(=O)NCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026501399 561795617 /nfs/dbraw/zinc/79/56/17/561795617.db2.gz BNMACLPLFKEEMT-FQEVSTJZSA-N -1 0 570.495 3.857 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1cccnc1)C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000026501711 561795695 /nfs/dbraw/zinc/79/56/95/561795695.db2.gz ZFILICBKOBGXJL-DEOSSOPVSA-N -1 0 719.633 3.866 1 0 KHAFRM CC[C@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc32)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(C)C)C(=O)[O-] ZINC000026567130 561797282 /nfs/dbraw/zinc/79/72/82/561797282.db2.gz BABPPDKQIVJMIG-CLHYEFPBSA-N -1 0 662.828 3.921 1 0 KHAFRM COCCOC(=O)N1CCC([C@H](C(=O)[O-])N(Cc2ccccn2)S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000026567341 561797332 /nfs/dbraw/zinc/79/73/32/561797332.db2.gz BLYHHTXBRXLLOI-MUUNZHRXSA-N -1 0 597.690 3.896 1 0 KHAFRM COCCOC(=O)N1CCC([C@@H](C(=O)[O-])N(Cc2ccccn2)S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000026567345 561797330 /nfs/dbraw/zinc/79/73/30/561797330.db2.gz BLYHHTXBRXLLOI-NDEPHWFRSA-N -1 0 597.690 3.896 1 0 KHAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](OCc2cccc3ccccc32)C[C@H]1C(=O)N[C@]1(C(=O)[O-])C[C@H]1C)C(C)C)C1CCCCC1 ZINC000026567618 561797360 /nfs/dbraw/zinc/79/73/60/561797360.db2.gz MRCGFSTZQUXMBL-UZPNGLHXSA-N -1 0 648.801 3.531 1 0 KHAFRM CCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc32)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(C)C)C(=O)[O-] ZINC000026568283 561797542 /nfs/dbraw/zinc/79/75/42/561797542.db2.gz LYBYENMRRCPWCU-UGMRNKNYSA-N -1 0 650.817 3.921 1 0 KHAFRM CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc32)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(C)C)C(=O)[O-] ZINC000026568426 561797512 /nfs/dbraw/zinc/79/75/12/561797512.db2.gz BABPPDKQIVJMIG-BBAIJTITSA-N -1 0 662.828 3.921 1 0 KHAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](OCc2cccc3ccccc32)C[C@H]1C(=O)N[C@@]1(C(=O)[O-])C[C@@H]1C)C(C)C)C1CCCCC1 ZINC000026568905 561797642 /nfs/dbraw/zinc/79/76/42/561797642.db2.gz MRCGFSTZQUXMBL-ISVCVWQBSA-N -1 0 648.801 3.531 1 0 KHAFRM CC1(C)O[C@@H]2[C@H](O1)[C@H](COC(=O)CCNC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)[O-])O[C@H]1OC(C)(C)O[C@@H]21 ZINC000026573054 561798467 /nfs/dbraw/zinc/79/84/67/561798467.db2.gz KGXHKTUWMHFWTI-YWPYVIMTSA-N -1 0 625.715 3.625 1 0 KHAFRM COC(=O)CCCCCCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[n-]c2=O)cc1 ZINC000026575912 561799504 /nfs/dbraw/zinc/79/95/04/561799504.db2.gz ORNCXDAKPHTFIR-AQPNWFMJSA-N -1 0 587.698 3.927 1 0 KHAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026638228 561806132 /nfs/dbraw/zinc/80/61/32/561806132.db2.gz DJLYAERDEYWREW-CYFREDJKSA-N -1 0 625.959 3.737 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)[C@@H](NC(=O)C(=O)Nc1cccc2ccccc21)c1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026638676 561806186 /nfs/dbraw/zinc/80/61/86/561806186.db2.gz FMWURLOLTAABCU-CUNXSJBXSA-N -1 0 625.531 3.800 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)c1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026638682 561806200 /nfs/dbraw/zinc/80/62/00/561806200.db2.gz FMWURLOLTAABCU-WXVAWEFUSA-N -1 0 625.531 3.800 1 0 KHAFRM O=C(N[C@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc([O-])c(C(=O)c2ccc3ccccc3c2[O-])c(O)c1)c1ccc(O)cc1 ZINC000026639545 561806356 /nfs/dbraw/zinc/80/63/56/561806356.db2.gz ZAJQYUWPDCAPGD-JYFHCDHNSA-N -1 0 556.571 3.601 1 0 KHAFRM CCCC[C@@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026641119 561806573 /nfs/dbraw/zinc/80/65/73/561806573.db2.gz AGWIUMGMDUOARQ-RTWAWAEBSA-N -1 0 605.541 3.617 1 0 KHAFRM CCCC[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026641124 561806664 /nfs/dbraw/zinc/80/66/64/561806664.db2.gz AGWIUMGMDUOARQ-SFTDATJTSA-N -1 0 605.541 3.617 1 0 KHAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026644767 561807218 /nfs/dbraw/zinc/80/72/18/561807218.db2.gz CRVYFAJKRDPUPQ-FNZWTVRRSA-N -1 0 633.551 3.722 1 0 KHAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026644936 561807240 /nfs/dbraw/zinc/80/72/40/561807240.db2.gz LSNJRQWLVIJSDE-CUNXSJBXSA-N -1 0 631.579 3.521 1 0 KHAFRM CNC(=O)c1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026646032 561807507 /nfs/dbraw/zinc/80/75/07/561807507.db2.gz RZDYGMVWRQQDRU-DQEYMECFSA-N -1 0 604.512 3.985 1 0 KHAFRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026646219 561807476 /nfs/dbraw/zinc/80/74/76/561807476.db2.gz XFAYVBYHZSGFKZ-LVXARBLLSA-N -1 0 633.551 3.722 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026646628 561807498 /nfs/dbraw/zinc/80/74/98/561807498.db2.gz HBMLUGQTGGLOHU-ZEQRLZLVSA-N -1 0 639.558 3.670 1 0 KHAFRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc2ccccc21 ZINC000026649052 561808110 /nfs/dbraw/zinc/80/81/10/561808110.db2.gz VMDJSHWGYGBHNX-SVEHJYQDSA-N -1 0 569.614 3.680 1 0 KHAFRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc2ccccc2c1 ZINC000026649059 561808074 /nfs/dbraw/zinc/80/80/74/561808074.db2.gz DRXHUFNETIFFGM-WNJJXGMVSA-N -1 0 569.614 3.680 1 0 KHAFRM NC(=O)c1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026650430 561808323 /nfs/dbraw/zinc/80/83/23/561808323.db2.gz JFSVPFIOVGIBHH-ZEQRLZLVSA-N -1 0 590.485 3.725 1 0 KHAFRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026650436 561808324 /nfs/dbraw/zinc/80/83/24/561808324.db2.gz AHFUCLBQQLXIJB-LVXARBLLSA-N -1 0 617.552 3.597 1 0 KHAFRM COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1OC ZINC000026653000 561808726 /nfs/dbraw/zinc/80/87/26/561808726.db2.gz PMVWESVPNZPORP-SVBPBHIXSA-N -1 0 574.655 3.785 1 0 KHAFRM O=C([O-])[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(I)c1 ZINC000026662859 561810612 /nfs/dbraw/zinc/81/06/12/561810612.db2.gz ZDUXNOFMNUWAOK-CQSZACIVSA-N -1 0 513.140 3.625 1 0 KHAFRM O=C([O-])[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(I)c1 ZINC000026662864 561810625 /nfs/dbraw/zinc/81/06/25/561810625.db2.gz ZDUXNOFMNUWAOK-AWEZNQCLSA-N -1 0 513.140 3.625 1 0 KHAFRM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCN1C(=O)c2cccc3c(Br)ccc(c32)C1=O)[P@@](=O)([O-])O ZINC000026673396 561813125 /nfs/dbraw/zinc/81/31/25/561813125.db2.gz IZWHGGHHNBIAIH-KKUQBAQOSA-N -1 0 687.528 3.570 1 0 KHAFRM COC(=O)c1ccc(CN2c3ccccc3[C@@](c3ccccc3)([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC2=O)cc1 ZINC000026675490 561814060 /nfs/dbraw/zinc/81/40/60/561814060.db2.gz MHZFPYMEACEGKL-NSJVFKKDSA-N -1 0 566.614 3.792 1 0 KHAFRM CCOC(=O)/C=C/[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026723254 561815546 /nfs/dbraw/zinc/81/55/46/561815546.db2.gz JZVXDXUARDDPSU-MQYZGGMBSA-N -1 0 595.693 3.524 1 0 KHAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1 ZINC000026726235 561815928 /nfs/dbraw/zinc/81/59/28/561815928.db2.gz XBJQLIAOARQROY-CPCREDONSA-N -1 0 705.724 3.685 1 0 KHAFRM CO[C@H]1[C@H](C)O[C@@H](Oc2cc(Cc3ccccc3)c3cc(C(=O)[O-])c(=O)oc3c2C)[C@H](O)[C@@H]1OC(=O)c1ccc(C)[nH]1 ZINC000026728770 561816463 /nfs/dbraw/zinc/81/64/63/561816463.db2.gz OPATYCWHHRHELD-QVOQXBJFSA-N -1 0 577.586 3.752 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccc(F)c1 ZINC000026734091 561817107 /nfs/dbraw/zinc/81/71/07/561817107.db2.gz GRQOJSITCKHWEP-YKSBVNFPSA-N -1 0 518.545 3.833 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccc(F)c1 ZINC000026734374 561817210 /nfs/dbraw/zinc/81/72/10/561817210.db2.gz GRQOJSITCKHWEP-GBXCKJPGSA-N -1 0 518.545 3.833 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccc(F)c1 ZINC000026734379 561817178 /nfs/dbraw/zinc/81/71/78/561817178.db2.gz GRQOJSITCKHWEP-RDPSFJRHSA-N -1 0 518.545 3.833 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccc(F)c1 ZINC000026734383 561817201 /nfs/dbraw/zinc/81/72/01/561817201.db2.gz GRQOJSITCKHWEP-HYBUGGRVSA-N -1 0 518.545 3.833 1 0 KHAFRM CCCCCc1cc(O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC(=O)c3ccc(C)[nH]3)[C@H]2O)c(C)c2oc(=O)c(C(=O)[O-])cc12 ZINC000026734485 561817145 /nfs/dbraw/zinc/81/71/45/561817145.db2.gz VBNVPVWBALCHBP-OCNIOIIGSA-N -1 0 557.596 3.894 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccccc1 ZINC000026742489 561818296 /nfs/dbraw/zinc/81/82/96/561818296.db2.gz AZFPXTNXYJUHOT-XUZZJYLKSA-N -1 0 500.555 3.693 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccccc1 ZINC000026742494 561818251 /nfs/dbraw/zinc/81/82/51/561818251.db2.gz AZFPXTNXYJUHOT-URXFXBBRSA-N -1 0 500.555 3.693 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccccc1 ZINC000026742499 561818289 /nfs/dbraw/zinc/81/82/89/561818289.db2.gz AZFPXTNXYJUHOT-ZJSXRUAMSA-N -1 0 500.555 3.693 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccccc1 ZINC000026742504 561818298 /nfs/dbraw/zinc/81/82/98/561818298.db2.gz AZFPXTNXYJUHOT-QPPBQGQZSA-N -1 0 500.555 3.693 1 0 KHAFRM CCOC(=O)c1sc([N-]c2nc3ncn(CC)c3c(NCc3ccc(S(C)(=O)=O)cc3)n2)nc1C ZINC000026745205 561818668 /nfs/dbraw/zinc/81/86/68/561818668.db2.gz BKICPQNUUUABHX-UHFFFAOYSA-N -1 0 515.621 3.547 1 0 KHAFRM CCOC(=O)c1sc([N-]c2nc3ncn(CC)c3c(NCc3ccc(OC)c(OC)c3)n2)nc1OC ZINC000026745400 561818799 /nfs/dbraw/zinc/81/87/99/561818799.db2.gz UIVOBRCKHLHLLQ-UHFFFAOYSA-N -1 0 513.580 3.861 1 0 KHAFRM CCOC(=O)c1sc([N-]c2nc3c(ncn3CC)c(OCc3ccc(S(C)(=O)=O)cc3)n2)nc1C ZINC000026745472 561818771 /nfs/dbraw/zinc/81/87/71/561818771.db2.gz OJVOGLBEEZJDIU-UHFFFAOYSA-N -1 0 516.605 3.514 1 0 KHAFRM CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000026748517 561819280 /nfs/dbraw/zinc/81/92/80/561819280.db2.gz JSFQGKAVZDCLKU-RRPNLBNLSA-N -1 0 546.668 3.532 1 0 KHAFRM CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000026748523 561819274 /nfs/dbraw/zinc/81/92/74/561819274.db2.gz JSFQGKAVZDCLKU-SVBPBHIXSA-N -1 0 546.668 3.532 1 0 KHAFRM CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CC(=O)N1CCC[C@H]1C(=O)[O-])CC1CCCCC1 ZINC000026750428 561819621 /nfs/dbraw/zinc/81/96/21/561819621.db2.gz ZCGOYUREWVPOPX-UIOOFZCWSA-N -1 0 538.689 3.870 1 0 KHAFRM CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)[O-])NC(C)=C(C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 ZINC000026816788 561820414 /nfs/dbraw/zinc/82/04/14/561820414.db2.gz XEZKDTDJIRNXCI-DJDJECJDSA-N -1 0 588.617 3.808 1 0 KHAFRM CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)[O-])NC(C)=C(C(=O)OC)[C@H]1c1cccc(-n2ccnc2)c1 ZINC000026816793 561820346 /nfs/dbraw/zinc/82/03/46/561820346.db2.gz XEZKDTDJIRNXCI-JNWXKXLUSA-N -1 0 588.617 3.808 1 0 KHAFRM CC(=O)Oc1cccc(C(=O)N(C)CCCN(Cc2ccccc2C(=O)[O-])C(=O)c2cccc(OC(C)=O)c2OC(C)=O)c1OC(C)=O ZINC000026818885 561820744 /nfs/dbraw/zinc/82/07/44/561820744.db2.gz DCELNRNPESSFOI-UHFFFAOYSA-N -1 0 662.648 3.891 1 0 KHAFRM CC(=O)Oc1cccc(C(=O)NCCCCN(Cc2ccccc2OCC(=O)[O-])C(=O)c2cccc(OC(C)=O)c2OC(C)=O)c1OC(C)=O ZINC000026819099 561820701 /nfs/dbraw/zinc/82/07/01/561820701.db2.gz QOICODCIXNVEHV-UHFFFAOYSA-N -1 0 692.674 3.704 1 0 KHAFRM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000026820182 561820940 /nfs/dbraw/zinc/82/09/40/561820940.db2.gz JWWUDNFHBYGDPE-ROHNOIKCSA-N -1 0 512.647 3.958 1 0 KHAFRM CC(=O)Oc1cccc(C(=O)NCCCCN(Cc2ccc(OCC(=O)[O-])cc2)C(=O)c2cccc(OC(C)=O)c2OC(C)=O)c1OC(C)=O ZINC000026823857 561821612 /nfs/dbraw/zinc/82/16/12/561821612.db2.gz FNCNHYTYWXYIAL-UHFFFAOYSA-N -1 0 692.674 3.704 1 0 KHAFRM CC(=O)Oc1cccc(C(=O)NCCCCN(Cc2ccccc2C(=O)[O-])C(=O)c2cccc(OC(C)=O)c2OC(C)=O)c1OC(C)=O ZINC000026823861 561821613 /nfs/dbraw/zinc/82/16/13/561821613.db2.gz WDBNNZCGKJBOBY-UHFFFAOYSA-N -1 0 662.648 3.939 1 0 KHAFRM CC(=O)Oc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OC(C)=O)c3OC(C)=O)cc(C(=O)[O-])c2)c1OC(C)=O ZINC000026824923 561821716 /nfs/dbraw/zinc/82/17/16/561821716.db2.gz PQSIBPCUZIOUPJ-UHFFFAOYSA-N -1 0 592.513 3.591 1 0 KHAFRM COCCOCOc1ccc(C(F)(F)F)cc1CN[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-])C(C)C ZINC000026830829 561822866 /nfs/dbraw/zinc/82/28/66/561822866.db2.gz WPZOZCBQIAHPDO-KLJDGLGGSA-N -1 0 657.752 3.869 1 0 KHAFRM COCCOCOc1ccc(Cl)cc1CN[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-])C(C)C ZINC000026832912 561823412 /nfs/dbraw/zinc/82/34/12/561823412.db2.gz XJKQHTWPPBHIPH-KLJDGLGGSA-N -1 0 624.200 3.504 1 0 KHAFRM C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCOc1ccc(C(=O)C2CC2)cc1 ZINC000026834000 561823737 /nfs/dbraw/zinc/82/37/37/561823737.db2.gz SCRVXZMJVSWCQE-QMMLZNLJSA-N -1 0 515.607 3.637 1 0 KHAFRM CN1Cc2cc(C(=O)N(Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[nH]3)ccc2N[C@@H](CC(=O)[O-])C1=O ZINC000026850165 561827108 /nfs/dbraw/zinc/82/71/08/561827108.db2.gz JSOMTIGKDWXVCJ-DEOSSOPVSA-N -1 0 537.580 3.509 1 0 KHAFRM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026937062 561827646 /nfs/dbraw/zinc/82/76/46/561827646.db2.gz DOXALTYSSZZRPP-LQGLAIQGSA-N -1 0 672.518 3.721 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026946641 561828586 /nfs/dbraw/zinc/82/85/86/561828586.db2.gz ISZXHKGBLCZAQE-AVRDEDQJSA-N -1 0 553.395 3.630 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCNC(=O)Cc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026986267 561831966 /nfs/dbraw/zinc/83/19/66/561831966.db2.gz GITBBJRHJIWPLI-JBOQNHBVSA-N -1 0 586.733 3.949 1 0 KHAFRM CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)Cc2cccc(C(=O)[O-])c2)ccc1-c1ccccc1)C(=O)C(F)(F)F ZINC000026988837 561832225 /nfs/dbraw/zinc/83/22/25/561832225.db2.gz BADPPDCVNKPPEU-XMMPIXPASA-N -1 0 557.525 3.667 1 0 KHAFRM CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)Cc2cccc(C(=O)[O-])c2)ccc1-c1ccccc1)C(=O)C(F)(F)F ZINC000026988844 561832299 /nfs/dbraw/zinc/83/22/99/561832299.db2.gz BADPPDCVNKPPEU-DEOSSOPVSA-N -1 0 557.525 3.667 1 0 KHAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)C[NH2+]CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000026994541 561832934 /nfs/dbraw/zinc/83/29/34/561832934.db2.gz KJECINJFNZWONV-NSOVKSMOSA-N -1 0 582.657 3.566 1 0 KHAFRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)C[NH2+]CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000026994547 561832938 /nfs/dbraw/zinc/83/29/38/561832938.db2.gz KJECINJFNZWONV-IZLXSDGUSA-N -1 0 582.657 3.566 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)c1ncc(-c2ccccc2Cl)o1 ZINC000026995487 561833295 /nfs/dbraw/zinc/83/32/95/561833295.db2.gz QXTMJQUGIRZSCW-JBUDQFAYSA-N -1 0 599.040 3.593 1 0 KHAFRM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cncc(NC(=O)c2cccc3ccccc32)c1=O ZINC000027076941 561834387 /nfs/dbraw/zinc/83/43/87/561834387.db2.gz COJAOVOMYDQDFS-BDYUSTAISA-N -1 0 584.629 3.988 1 0 KHAFRM CCCC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cncc(NC(=O)c2cccc3ccccc32)c1=O ZINC000027076947 561834370 /nfs/dbraw/zinc/83/43/70/561834370.db2.gz COJAOVOMYDQDFS-AHKZPQOWSA-N -1 0 584.629 3.988 1 0 KHAFRM C[C@@](Cc1ccccc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(O)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000027079623 561834695 /nfs/dbraw/zinc/83/46/95/561834695.db2.gz AKZNNOWOKLQVTQ-HVNZXBJASA-N -1 0 551.684 3.585 1 0 KHAFRM C[C@](Cc1ccccc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(O)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000027079632 561834723 /nfs/dbraw/zinc/83/47/23/561834723.db2.gz AKZNNOWOKLQVTQ-SUYBVONHSA-N -1 0 551.684 3.585 1 0 KHAFRM CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)Cc2ccc(C(=O)[O-])cc2)ccc1-c1ccccc1)C(=O)C(F)(F)F ZINC000027081165 561835030 /nfs/dbraw/zinc/83/50/30/561835030.db2.gz DQVDGXNVKFNHKC-XMMPIXPASA-N -1 0 557.525 3.667 1 0 KHAFRM CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)Cc2ccc(C(=O)[O-])cc2)ccc1-c1ccccc1)C(=O)C(F)(F)F ZINC000027081172 561835174 /nfs/dbraw/zinc/83/51/74/561835174.db2.gz DQVDGXNVKFNHKC-DEOSSOPVSA-N -1 0 557.525 3.667 1 0 KHAFRM CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)Cc2ccccc2C(=O)[O-])ccc1-c1ccccc1)C(=O)C(F)(F)F ZINC000027081178 561835110 /nfs/dbraw/zinc/83/51/10/561835110.db2.gz ADVHGQZABZVPCA-XMMPIXPASA-N -1 0 557.525 3.667 1 0 KHAFRM CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)Cc2ccccc2C(=O)[O-])ccc1-c1ccccc1)C(=O)C(F)(F)F ZINC000027081184 561835119 /nfs/dbraw/zinc/83/51/19/561835119.db2.gz ADVHGQZABZVPCA-DEOSSOPVSA-N -1 0 557.525 3.667 1 0 KHAFRM O=C([N-]OCc1ccccc1)[C@H](O)[C@H](O)COP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000027084804 561835989 /nfs/dbraw/zinc/83/59/89/561835989.db2.gz RMAILVOSHNOEDA-DNQXCXABSA-N -1 0 501.472 3.515 1 0 KHAFRM O=C([O-])CN1CC(=O)N2[C@@H](CC(=O)c3ccccc3N(Cc3ccccc3)C(=O)[C@H]2CC23CC4CC(CC(C4)C2)C3)C1=O ZINC000027097803 561838196 /nfs/dbraw/zinc/83/81/96/561838196.db2.gz WCCQERBAINDAJY-OPKNSXMXSA-N -1 0 583.685 3.905 1 0 KHAFRM CC(=O)N1[C@H](CC2CCCCC2)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027101191 561838847 /nfs/dbraw/zinc/83/88/47/561838847.db2.gz PZYDRSZIJKUDHC-IZZNHLLZSA-N -1 0 533.625 3.563 1 0 KHAFRM CC(C)COC(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(C(=O)[O-])cc1Cl)C(C)C ZINC000027101592 561838819 /nfs/dbraw/zinc/83/88/19/561838819.db2.gz IUZHSMGDOMNJSI-WPFOTENUSA-N -1 0 633.133 3.775 1 0 KHAFRM CC(C)COC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(F)F)C(=O)NCCc1ccc(C(=O)[O-])cc1Cl)C(C)C ZINC000027101597 561838778 /nfs/dbraw/zinc/83/87/78/561838778.db2.gz IUZHSMGDOMNJSI-ZDXQCDESSA-N -1 0 633.133 3.775 1 0 KHAFRM CC(C)COC(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(F)F)C(=O)NCCc1ccc(C(=O)[O-])cc1Cl)C(C)C ZINC000027101600 561838769 /nfs/dbraw/zinc/83/87/69/561838769.db2.gz IUZHSMGDOMNJSI-WMTXJRDZSA-N -1 0 633.133 3.775 1 0 KHAFRM COc1ccc(CCNC(=O)[C@@H](CC(=O)[O-])NC(=O)CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCc2ccc(Cl)c(Cl)c2)cc1 ZINC000027103964 561839502 /nfs/dbraw/zinc/83/95/02/561839502.db2.gz SECIWBOXEQGUQO-FIRIVFDPSA-N -1 0 724.642 3.968 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 ZINC000027106977 561840459 /nfs/dbraw/zinc/84/04/59/561840459.db2.gz OGSXGMXSNAFZKY-KKLWWLSJSA-N -1 0 675.786 3.806 1 0 KHAFRM COc1ccc(CCNC(=O)[C@@H](CC(=O)[O-])NC(=O)CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCc2ccc3ccccc3c2)cc1 ZINC000027107481 561840626 /nfs/dbraw/zinc/84/06/26/561840626.db2.gz BHLIDUBYXQPQGM-VSJLXWSYSA-N -1 0 705.812 3.815 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc2ccccc2c1)C(=O)NCCc1ccc(F)cc1 ZINC000027107702 561840622 /nfs/dbraw/zinc/84/06/22/561840622.db2.gz BKDVSWSBINPTGJ-KKLWWLSJSA-N -1 0 693.776 3.945 1 0 KHAFRM CC(=O)N1[C@H](CC2CCCCCC2)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027108177 561840697 /nfs/dbraw/zinc/84/06/97/561840697.db2.gz SYXWPEYSIVECNX-RRPNLBNLSA-N -1 0 547.652 3.953 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(OC(F)(F)F)cc1 ZINC000027109710 561841163 /nfs/dbraw/zinc/84/11/63/561841163.db2.gz SQBFDICMCWEADN-CUNXSJBXSA-N -1 0 590.551 3.866 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)c(F)c(F)c1F ZINC000027109873 561841184 /nfs/dbraw/zinc/84/11/84/561841184.db2.gz UPMCQRUMTCKRAR-QMTYFTJSSA-N -1 0 596.505 3.663 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000027110031 561841327 /nfs/dbraw/zinc/84/13/27/561841327.db2.gz BDDAAXUDLRFUEN-CUNXSJBXSA-N -1 0 574.552 3.986 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc(C(F)(F)F)c1 ZINC000027110033 561841346 /nfs/dbraw/zinc/84/13/46/561841346.db2.gz ROEVOELSKBXYIT-CUNXSJBXSA-N -1 0 574.552 3.986 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1C(F)(F)F ZINC000027182287 561842032 /nfs/dbraw/zinc/84/20/32/561842032.db2.gz ZSQUGHJAYFBILV-IDISGSTGSA-N -1 0 574.552 3.986 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000027183240 561842153 /nfs/dbraw/zinc/84/21/53/561842153.db2.gz PMIXESLZZSDHTH-SIBVEZHUSA-N -1 0 578.515 3.523 1 0 KHAFRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027187841 561842951 /nfs/dbraw/zinc/84/29/51/561842951.db2.gz KQHBUVQAEHYALW-VPJWVBIYSA-N -1 0 595.740 3.890 1 0 KHAFRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027187847 561842921 /nfs/dbraw/zinc/84/29/21/561842921.db2.gz KQHBUVQAEHYALW-WCRUEWGKSA-N -1 0 595.740 3.890 1 0 KHAFRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027187853 561842949 /nfs/dbraw/zinc/84/29/49/561842949.db2.gz KQHBUVQAEHYALW-MWYQNGGBSA-N -1 0 595.740 3.890 1 0 KHAFRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027187859 561842915 /nfs/dbraw/zinc/84/29/15/561842915.db2.gz KQHBUVQAEHYALW-VXWBUZQASA-N -1 0 595.740 3.890 1 0 KHAFRM Cc1cc(N)cc(C)c1S([O-])=CC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12 ZINC000027187875 561842913 /nfs/dbraw/zinc/84/29/13/561842913.db2.gz QLAHSWUJYMSLIK-ADQKIRHOSA-N -1 0 649.810 3.571 1 0 KHAFRM Cc1cc(N)cc(C)c1S([O-])=CC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]12 ZINC000027187889 561842923 /nfs/dbraw/zinc/84/29/23/561842923.db2.gz QLAHSWUJYMSLIK-DWAOBTSJSA-N -1 0 649.810 3.571 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc(OC(F)(F)F)c1 ZINC000027190811 561843524 /nfs/dbraw/zinc/84/35/24/561843524.db2.gz FYWXVARQRQXNPF-CUNXSJBXSA-N -1 0 590.551 3.866 1 0 KHAFRM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(OC)cccc2OC)cc1 ZINC000027197878 561844626 /nfs/dbraw/zinc/84/46/26/561844626.db2.gz BKGYGEADRLJUHK-LVPRMVSMSA-N -1 0 534.565 3.921 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)Cn1c(=O)c(NS(=O)(=O)c2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027201644 561845197 /nfs/dbraw/zinc/84/51/97/561845197.db2.gz KSXGCQYTBFTWBH-JOCHJYFZSA-N -1 0 705.504 3.543 1 0 KHAFRM CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1)N(C)C(=O)OCc1ccccc1 ZINC000027202131 561845316 /nfs/dbraw/zinc/84/53/16/561845316.db2.gz NJYPFFUGZQLXAU-GTFGCAHESA-N -1 0 675.661 3.596 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027207838 561846353 /nfs/dbraw/zinc/84/63/53/561846353.db2.gz OFZSWTPDSJBBIL-GTFGCAHESA-N -1 0 675.661 3.596 1 0 KHAFRM O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2[N-]S(=O)(=O)C(F)(F)F)CC1)[C@H]1Cc2ccccc2CN1 ZINC000027208030 561846423 /nfs/dbraw/zinc/84/64/23/561846423.db2.gz ISIZUFJRYJLUCU-CLJLJLNGSA-N -1 0 650.123 3.692 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1cccnc1)C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027210130 561846933 /nfs/dbraw/zinc/84/69/33/561846933.db2.gz ZFILICBKOBGXJL-XMMPIXPASA-N -1 0 719.633 3.866 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)Cn1c(=O)c(NC(=O)c2ccco2)cnc1-c1ccc(F)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027210134 561846945 /nfs/dbraw/zinc/84/69/45/561846945.db2.gz FHZOBWXQIMFMBA-LJQANCHMSA-N -1 0 659.410 3.587 1 0 KHAFRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027211598 561847294 /nfs/dbraw/zinc/84/72/94/561847294.db2.gz PCHYMTHJLQQDLT-HLJLCZKJSA-N -1 0 580.641 3.863 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027213419 561847684 /nfs/dbraw/zinc/84/76/84/561847684.db2.gz MTEAQIREWLXBPI-MOMDTQCHSA-N -1 0 687.672 3.741 1 0 KHAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027215365 561848144 /nfs/dbraw/zinc/84/81/44/561848144.db2.gz AIPUNRGBCOTEIQ-MOMDTQCHSA-N -1 0 687.672 3.741 1 0 KHAFRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027216627 561848514 /nfs/dbraw/zinc/84/85/14/561848514.db2.gz PCHYMTHJLQQDLT-VLQWODCGSA-N -1 0 580.641 3.863 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027298801 561848728 /nfs/dbraw/zinc/84/87/28/561848728.db2.gz XOXMFQCHSJBPAB-GTFGCAHESA-N -1 0 675.661 3.596 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027298803 561848700 /nfs/dbraw/zinc/84/87/00/561848700.db2.gz MWFQXGMQWMVLRQ-CPJSRVTESA-N -1 0 590.555 3.750 1 0 KHAFRM Cc1cc(C)c(S(=O)(=O)[C@@H](CNC(=O)C2=NOC3(C2)CCC(CNc2nc4ccccc4[nH]2)CC3)C(=O)[O-])c(C)c1 ZINC000027299876 561848884 /nfs/dbraw/zinc/84/88/84/561848884.db2.gz BSJOIRBVGVDOJC-NXKSLHRISA-N -1 0 581.695 3.649 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000027311482 561850828 /nfs/dbraw/zinc/85/08/28/561850828.db2.gz CFOIEAVNWPDREA-FSEITFBQSA-N -1 0 735.882 3.581 1 0 KHAFRM Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@@H](CCCCNc2ccccn2)C1)C(=O)[O-] ZINC000027312279 561850884 /nfs/dbraw/zinc/85/08/84/561850884.db2.gz VJKWDOHVIUYNBB-AHWVRZQESA-N -1 0 593.706 3.640 1 0 KHAFRM Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NO[C@H](CCCCNc2ccccn2)C1)C(=O)[O-] ZINC000027312284 561850913 /nfs/dbraw/zinc/85/09/13/561850913.db2.gz VJKWDOHVIUYNBB-RSXGOPAZSA-N -1 0 593.706 3.640 1 0 KHAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2cc(C(=O)[O-])ccc2o1 ZINC000027312686 561850905 /nfs/dbraw/zinc/85/09/05/561850905.db2.gz YEWOBOCNWDLYBI-HVCNVCAESA-N -1 0 592.649 3.792 1 0 KHAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2cc(CC(=O)[O-])ccc2o1 ZINC000027312894 561851106 /nfs/dbraw/zinc/85/11/06/561851106.db2.gz UAPSOESDBANONU-YGPDHOBYSA-N -1 0 606.676 3.720 1 0 KHAFRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCC(=O)[O-])CCc1c[nH]cn1)C2 ZINC000027314279 561851410 /nfs/dbraw/zinc/85/14/10/561851410.db2.gz FXKGSLOULRBCHE-YFCBNTRVSA-N -1 0 611.809 3.943 1 0 KHAFRM CCCCCC(=O)N(CC(=O)N(CC)CC(=O)N(CC(=O)N(CCCc1ccccc1)CC(N)=O)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027320528 561852565 /nfs/dbraw/zinc/85/25/65/561852565.db2.gz BDQOQGKYETXIEJ-UHFFFAOYSA-N -1 0 729.856 3.553 1 0 KHAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O ZINC000027320683 561852558 /nfs/dbraw/zinc/85/25/58/561852558.db2.gz NPYOPQVFWCKLSS-XAZDILKDSA-N -1 0 613.711 3.970 1 0 KHAFRM 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3.553 1 0 KHAFRM CC(=O)NC[C@H]1CN(c2ccc(OCCC3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(F)c2)C(=O)O1 ZINC000027427787 561858742 /nfs/dbraw/zinc/85/87/42/561858742.db2.gz PKDXNCFNIRMWRK-NRFANRHFSA-N -1 0 625.629 3.855 1 0 KHAFRM CC(=O)NC[C@H]1CN(c2ccc(O[C@@H]3CCCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(F)c2)C(=O)O1 ZINC000027428121 561858787 /nfs/dbraw/zinc/85/87/87/561858787.db2.gz COUKMJSVWMYTHG-UXHICEINSA-N -1 0 611.602 3.607 1 0 KHAFRM CC(=O)NC[C@H]1CN(c2ccc(O[C@H]3CCCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(F)c2)C(=O)O1 ZINC000027428126 561858782 /nfs/dbraw/zinc/85/87/82/561858782.db2.gz COUKMJSVWMYTHG-PMACEKPBSA-N -1 0 611.602 3.607 1 0 KHAFRM Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)CCC(=O)[O-])C2=O)c1 ZINC000027428223 561858806 /nfs/dbraw/zinc/85/88/06/561858806.db2.gz ILXSUGQVCXNIOG-MHZLTWQESA-N -1 0 528.565 3.735 1 0 KHAFRM Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)CCC(=O)[O-])C2=O)c1 ZINC000027428228 561858771 /nfs/dbraw/zinc/85/87/71/561858771.db2.gz ILXSUGQVCXNIOG-HHHXNRCGSA-N -1 0 528.565 3.735 1 0 KHAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(OS(=O)(=O)N(C)C)c2C)c1Cl ZINC000027517837 561861613 /nfs/dbraw/zinc/86/16/13/561861613.db2.gz BVIOVPSCGMQPMP-UHFFFAOYSA-N -1 0 563.079 3.861 1 0 KHAFRM CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1N=C(c2ccc(SC)cc2)S[C@H]1C(=O)[O-] ZINC000027518013 561861654 /nfs/dbraw/zinc/86/16/54/561861654.db2.gz UPTMCMOFMGLVSF-GRWTVWFQSA-N -1 0 515.657 3.599 1 0 KHAFRM COc1cccc([C@H]2O[C@H](CC(=O)NCCCC(=O)[O-])C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC ZINC000027520771 561863743 /nfs/dbraw/zinc/86/37/43/561863743.db2.gz KTYPPQSEVZOCNA-RCZVLFRGSA-N -1 0 563.047 3.568 1 0 KHAFRM COc1cccc([C@H]2O[C@H](CC(=O)NCCCCC(=O)[O-])C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC ZINC000027520829 561863759 /nfs/dbraw/zinc/86/37/59/561863759.db2.gz XDMYGTWAYIOWAW-ZEQKJWHPSA-N -1 0 577.074 3.958 1 0 KHAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(C(=O)[O-])CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC ZINC000027523040 561864761 /nfs/dbraw/zinc/86/47/61/561864761.db2.gz USVIPRFSVBFHAA-AOYPEHQESA-N -1 0 589.085 3.910 1 0 KHAFRM C/C(=C\c1ncc(CCCCCCCCC(=O)[O-])o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027523770 561865201 /nfs/dbraw/zinc/86/52/01/561865201.db2.gz TWXHIBOPYQDFDK-FGARPZLSSA-N -1 0 523.667 3.737 1 0 KHAFRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027526277 561866277 /nfs/dbraw/zinc/86/62/77/561866277.db2.gz PCHYMTHJLQQDLT-DRBLOIPVSA-N -1 0 580.641 3.863 1 0 KHAFRM CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)[O-])c(N[C@H](CO)[C@@H](O)c4ccccc4)nc3c2)n1 ZINC000027526451 561866288 /nfs/dbraw/zinc/86/62/88/561866288.db2.gz NOIPAQVIPICMOQ-KBEUEFIVSA-N -1 0 534.638 3.664 1 0 KHAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-] ZINC000027546708 561866896 /nfs/dbraw/zinc/86/68/96/561866896.db2.gz QIOMPQZQWLOGOE-YTZISMEFSA-N -1 0 541.730 3.748 1 0 KHAFRM CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)[O-] ZINC000027546714 561866924 /nfs/dbraw/zinc/86/69/24/561866924.db2.gz QIOMPQZQWLOGOE-CNOUCKAOSA-N -1 0 541.730 3.748 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc-3o2)ccc1OC ZINC000027546899 561866927 /nfs/dbraw/zinc/86/69/27/561866927.db2.gz LYQOAUFOVOFANT-UHFFFAOYSA-N -1 0 692.718 3.865 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5)CC4)cc-3o2)ccc1OC ZINC000027546905 561866905 /nfs/dbraw/zinc/86/69/05/561866905.db2.gz VCHNQEGBRAXGNB-UHFFFAOYSA-N -1 0 662.692 3.857 1 0 KHAFRM CC(C)(C)OC(=O)N(C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000027547790 561867245 /nfs/dbraw/zinc/86/72/45/561867245.db2.gz IBXHKTQHOKLBOK-OAQYLSRUSA-N -1 0 619.649 3.712 1 0 KHAFRM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)CC(=O)N[C@H](C(=O)[O-])C(C)C)[C@H](C)CC ZINC000027548133 561867300 /nfs/dbraw/zinc/86/73/00/561867300.db2.gz SGLHSUCMCBCMGE-CSTFPWKRSA-N -1 0 673.852 3.642 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc-3o2)ccc1OC ZINC000027548195 561867306 /nfs/dbraw/zinc/86/73/06/561867306.db2.gz CDMVWVQXBATSRJ-UHFFFAOYSA-N -1 0 602.640 3.839 1 0 KHAFRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21 ZINC000027548266 561867346 /nfs/dbraw/zinc/86/73/46/561867346.db2.gz PCHYMTHJLQQDLT-ACNFANBVSA-N -1 0 580.641 3.863 1 0 KHAFRM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)CC(=O)[O-])[C@H](C)CC ZINC000027548619 561867513 /nfs/dbraw/zinc/86/75/13/561867513.db2.gz MQUMPAUFGWDMOG-IZVDFQLISA-N -1 0 574.719 3.501 1 0 KHAFRM CC(C)(C)OC(=O)N(C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000027549387 561867622 /nfs/dbraw/zinc/86/76/22/561867622.db2.gz IBXHKTQHOKLBOK-NRFANRHFSA-N -1 0 619.649 3.712 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5cccc(OC)c5OC)CC4)cc-3o2)ccc1OC ZINC000027549989 561867731 /nfs/dbraw/zinc/86/77/31/561867731.db2.gz AXVNFMYRXOPMFG-UHFFFAOYSA-N -1 0 662.692 3.857 1 0 KHAFRM COc1ccc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc1OCC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000027549993 561867714 /nfs/dbraw/zinc/86/77/14/561867714.db2.gz KFTQKBJAGYIEPS-UHFFFAOYSA-N -1 0 606.628 3.629 1 0 KHAFRM COc1ccc(-c2cc(=O)c3c(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc([O-])cc3o2)cc1O ZINC000027550756 561867925 /nfs/dbraw/zinc/86/79/25/561867925.db2.gz BLNXMGUOZUWCOT-UHFFFAOYSA-N -1 0 606.628 3.629 1 0 KHAFRM COc1ccc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc-3o2)cc1O ZINC000027551007 561868063 /nfs/dbraw/zinc/86/80/63/561868063.db2.gz ZQZHCKYQLBFOPW-UHFFFAOYSA-N -1 0 606.628 3.629 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5cc(OC)c(OC)c(OC)c5)CC4)cc-3o2)ccc1OC ZINC000027551595 561868012 /nfs/dbraw/zinc/86/80/12/561868012.db2.gz MFJRRERGXCKOKU-UHFFFAOYSA-N -1 0 692.718 3.865 1 0 KHAFRM CCOC(=O)COc1cc(=O)c2c([O-])cc(-c3ccc(OC)c(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)c3)oc-2c1 ZINC000027552124 561868159 /nfs/dbraw/zinc/86/81/59/561868159.db2.gz XVDJNORKRPLTCW-UHFFFAOYSA-N -1 0 692.718 3.865 1 0 KHAFRM CCOC(=O)COc1cc(=O)c2c([O-])cc(-c3ccc(OC)c(OCC(=O)N4CCN(Cc5cc(OC)c(OC)c(OC)c5)CC4)c3)oc-2c1 ZINC000027552928 561868491 /nfs/dbraw/zinc/86/84/91/561868491.db2.gz FMVCZBNAKXYAKF-UHFFFAOYSA-N -1 0 692.718 3.865 1 0 KHAFRM CCOC(=O)COc1cc(=O)c2c([O-])cc(-c3ccc(OC)c(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5)CC4)c3)oc-2c1 ZINC000027554794 561869242 /nfs/dbraw/zinc/86/92/42/561869242.db2.gz CTHCLWLNRABNBH-UHFFFAOYSA-N -1 0 662.692 3.857 1 0 KHAFRM COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@@H](C)[N-]C(=O)C(F)(F)F)CC2 ZINC000027561653 561870761 /nfs/dbraw/zinc/87/07/61/561870761.db2.gz BGUKTNNLDZYXPV-WBMJQRKESA-N -1 0 540.560 3.632 1 0 KHAFRM CC(C)C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C(=O)NCCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027562294 561871028 /nfs/dbraw/zinc/87/10/28/561871028.db2.gz FQGNGRVQQHPGLK-OYFGVDPJSA-N -1 0 649.789 3.843 1 0 KHAFRM CC(C)C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)NCCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027562297 561870979 /nfs/dbraw/zinc/87/09/79/561870979.db2.gz FQGNGRVQQHPGLK-RFYMFKDESA-N -1 0 649.789 3.843 1 0 KHAFRM CC(C)C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C(=O)NCCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027562706 561871009 /nfs/dbraw/zinc/87/10/09/561871009.db2.gz FQGNGRVQQHPGLK-ZJGIAAPESA-N -1 0 649.789 3.843 1 0 KHAFRM CC(C)C[C@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)NCCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027562710 561871071 /nfs/dbraw/zinc/87/10/71/561871071.db2.gz FQGNGRVQQHPGLK-MOZWKJSSSA-N -1 0 649.789 3.843 1 0 KHAFRM CC(C)C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)NCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027563260 561871213 /nfs/dbraw/zinc/87/12/13/561871213.db2.gz FQGNGRVQQHPGLK-OWPQXHQJSA-N -1 0 649.789 3.843 1 0 KHAFRM CC(C)C[C@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)NCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027563263 561871216 /nfs/dbraw/zinc/87/12/16/561871216.db2.gz FQGNGRVQQHPGLK-QUFBTCJSSA-N -1 0 649.789 3.843 1 0 KHAFRM CC(C)C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027563266 561871237 /nfs/dbraw/zinc/87/12/37/561871237.db2.gz MTZRAOFVZUYMGX-HNPKZYAISA-N -1 0 635.762 3.801 1 0 KHAFRM CC(C)C[C@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027563269 561871381 /nfs/dbraw/zinc/87/13/81/561871381.db2.gz MTZRAOFVZUYMGX-RYRVMRHHSA-N -1 0 635.762 3.801 1 0 KHAFRM CC(C)C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)NCc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027563272 561871408 /nfs/dbraw/zinc/87/14/08/561871408.db2.gz MTZRAOFVZUYMGX-SAAIGDAKSA-N -1 0 635.762 3.801 1 0 KHAFRM CC(C)C[C@H](CC(=O)N[C@H](CC(=O)[O-])C(=O)NCc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027563275 561871386 /nfs/dbraw/zinc/87/13/86/561871386.db2.gz MTZRAOFVZUYMGX-FQLPYIGMSA-N -1 0 635.762 3.801 1 0 KHAFRM CC(C)C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027564220 561871828 /nfs/dbraw/zinc/87/18/28/561871828.db2.gz MTZRAOFVZUYMGX-VCTRFXNDSA-N -1 0 635.762 3.801 1 0 KHAFRM CC(C)C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C(=O)NCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000027564476 561871785 /nfs/dbraw/zinc/87/17/85/561871785.db2.gz MTZRAOFVZUYMGX-RTVRTQBESA-N -1 0 635.762 3.801 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])CC(=O)NCc1ccccc1 ZINC000027564637 561871952 /nfs/dbraw/zinc/87/19/52/561871952.db2.gz CIDLHGBJZWCCQU-SAAIGDAKSA-N -1 0 635.762 3.801 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])CC(=O)NCCc1ccccc1 ZINC000027617228 561871941 /nfs/dbraw/zinc/87/19/41/561871941.db2.gz GXFJMFOVYVIXAB-OWPQXHQJSA-N -1 0 649.789 3.843 1 0 KHAFRM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)COc1ccc(OCC(=O)[O-])cc1)C(C)C)C(=O)c1nc2c(cccc2OC(=O)C(C)(C)C)o1 ZINC000027636798 561874662 /nfs/dbraw/zinc/87/46/62/561874662.db2.gz WOYYPGZEYALERU-YDZBWFOPSA-N -1 0 722.792 3.777 1 0 KHAFRM CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)COc1ccc(OCC(=O)[O-])cc1)C(=O)c1nc2c(cccc2OC(=O)C(C)(C)C)o1 ZINC000027637426 561874714 /nfs/dbraw/zinc/87/47/14/561874714.db2.gz PVAOFNKIYLGCEQ-RLWLMLJZSA-N -1 0 623.659 3.636 1 0 KHAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc3c(cnn3CCCNc3ccccn3)c2)C(=O)[O-])c(C)c1 ZINC000027645739 561875825 /nfs/dbraw/zinc/87/58/25/561875825.db2.gz RWWBXXOTLIFZRW-QHCPKHFHSA-N -1 0 564.668 3.619 1 0 KHAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3ccccc3)cc2)C(=O)[O-])cc1 ZINC000027655307 561877301 /nfs/dbraw/zinc/87/73/01/561877301.db2.gz KDSCCTNNTPTIIF-OTKRRCBWSA-N -1 0 575.687 3.991 1 0 KHAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3ccccc3)cc2)C(=O)[O-])cc1 ZINC000027655310 561877273 /nfs/dbraw/zinc/87/72/73/561877273.db2.gz KDSCCTNNTPTIIF-PIFZWMCISA-N -1 0 575.687 3.991 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OC(F)F)cc1 ZINC000027657806 561878339 /nfs/dbraw/zinc/87/83/39/561878339.db2.gz ULSOWJGEUXLWAX-SJORKVTESA-N -1 0 523.341 3.690 1 0 KHAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)c3ccccc3C(=O)[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000027708075 561879093 /nfs/dbraw/zinc/87/90/93/561879093.db2.gz PLIICZMVZMKTST-DLTDCEFJSA-N -1 0 548.500 3.669 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 ZINC000027709985 561879538 /nfs/dbraw/zinc/87/95/38/561879538.db2.gz MZVLJIIBEREKBQ-SJORKVTESA-N -1 0 536.231 3.851 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000027712360 561879778 /nfs/dbraw/zinc/87/97/78/561879778.db2.gz GYRBFYNAOXAEPO-ROUUACIJSA-N -1 0 555.358 3.857 1 0 KHAFRM CCc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000027715072 561880180 /nfs/dbraw/zinc/88/01/80/561880180.db2.gz FSIOKPLPDOYRFJ-REWPJTCUSA-N -1 0 513.443 3.911 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(I)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000027717636 561880229 /nfs/dbraw/zinc/88/02/29/561880229.db2.gz NICNHDFNJXGGJV-ROUUACIJSA-N -1 0 597.258 3.563 1 0 KHAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000027719156 561880512 /nfs/dbraw/zinc/88/05/12/561880512.db2.gz ADUOFHJYAVYDCK-RXVVDRJESA-N -1 0 611.285 3.953 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000027720493 561880620 /nfs/dbraw/zinc/88/06/20/561880620.db2.gz PUGXPRVUVZGAHB-ROUUACIJSA-N -1 0 550.258 3.721 1 0 KHAFRM O=C([O-])[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000027720705 561880610 /nfs/dbraw/zinc/88/06/10/561880610.db2.gz UMIUGDHVXREPOA-ROUUACIJSA-N -1 0 539.359 3.977 1 0 KHAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2nnn(-c3ccc(Br)cc3)n2)cc1 ZINC000027725088 561880818 /nfs/dbraw/zinc/88/08/18/561880818.db2.gz JSUMSNXSMOEZBZ-JOCHJYFZSA-N -1 0 567.425 3.547 1 0 KHAFRM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000027762713 561884244 /nfs/dbraw/zinc/88/42/44/561884244.db2.gz XMNOUQSNUAXIDM-GCBQAYLCSA-N -1 0 567.630 3.576 1 0 KHAFRM CC(=O)N[C@H](C(=O)[C@H](CCC(=O)[O-])[NH2+][C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000027762801 561884194 /nfs/dbraw/zinc/88/41/94/561884194.db2.gz HOZQLDCFVXAMCQ-QEETYVBOSA-N -1 0 671.738 3.848 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000027764601 561884520 /nfs/dbraw/zinc/88/45/20/561884520.db2.gz JAPQVBMKHYMVRJ-ZEQRLZLVSA-N -1 0 539.510 3.659 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000027764609 561884495 /nfs/dbraw/zinc/88/44/95/561884495.db2.gz JAPQVBMKHYMVRJ-BJKOFHAPSA-N -1 0 539.510 3.659 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000027847837 561885698 /nfs/dbraw/zinc/88/56/98/561885698.db2.gz NISAMLYJCPALLS-SVBPBHIXSA-N -1 0 536.588 3.790 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000027847846 561885678 /nfs/dbraw/zinc/88/56/78/561885678.db2.gz NISAMLYJCPALLS-RRPNLBNLSA-N -1 0 536.588 3.790 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000027852590 561886244 /nfs/dbraw/zinc/88/62/44/561886244.db2.gz MLRNFSVKZBPRQY-ZEQRLZLVSA-N -1 0 589.592 3.809 1 0 KHAFRM Cc1ccc(C(=O)Nc2ccc(C[C@H](NC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)c(Cl)n1 ZINC000027853587 561886387 /nfs/dbraw/zinc/88/63/87/561886387.db2.gz CANDGDJMWTWWGD-GOTSBHOMSA-N -1 0 535.000 3.599 1 0 KHAFRM Cc1ccc(C(=O)Nc2ccc(C[C@H](NC(=O)[C@H]3CCC(=O)N3Cc3ccccc3)C(=O)[O-])cc2)c(Cl)n1 ZINC000027853596 561886336 /nfs/dbraw/zinc/88/63/36/561886336.db2.gz CANDGDJMWTWWGD-XZOQPEGZSA-N -1 0 535.000 3.599 1 0 KHAFRM COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(=O)CC(=O)[O-] ZINC000027853796 561886318 /nfs/dbraw/zinc/88/63/18/561886318.db2.gz YVYUYBYHPPCPGT-HHHXNRCGSA-N -1 0 597.716 3.530 1 0 KHAFRM COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(=O)CC(=O)[O-] ZINC000027853805 561886348 /nfs/dbraw/zinc/88/63/48/561886348.db2.gz YVYUYBYHPPCPGT-MHZLTWQESA-N -1 0 597.716 3.530 1 0 KHAFRM COc1cc2c(c(C(C)C)c1)C(=O)N(COC(=O)c1c(Cl)ccc(OCC(=O)[O-])c1Cl)S2(=O)=O ZINC000027854980 561886473 /nfs/dbraw/zinc/88/64/73/561886473.db2.gz RMIJVTQGJDXSEB-UHFFFAOYSA-N -1 0 532.354 3.548 1 0 KHAFRM CCOc1ccc(OCC(=O)OC)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1c(F)cccc1Cl)C(C)C ZINC000027884110 561889257 /nfs/dbraw/zinc/88/92/57/561889257.db2.gz NQQYDLPVVQFZEU-IADCTJSHSA-N -1 0 655.141 3.575 1 0 KHAFRM C[n+]1ccc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc1CCCC(=O)[O-] ZINC000027888418 561889677 /nfs/dbraw/zinc/88/96/77/561889677.db2.gz GLOZRLBTNCMFLZ-RCZVLFRGSA-O -1 0 643.616 3.848 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCCCc1ccccc1 ZINC000027891731 561889979 /nfs/dbraw/zinc/88/99/79/561889979.db2.gz NEDPAGZVHKGXPA-ULNCZQIZSA-N -1 0 567.683 3.774 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)CCCCCc1ccccc1 ZINC000027891739 561889927 /nfs/dbraw/zinc/88/99/27/561889927.db2.gz NEDPAGZVHKGXPA-DLNIMUOOSA-N -1 0 567.683 3.774 1 0 KHAFRM CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(C)=O)cc1 ZINC000027988247 561892603 /nfs/dbraw/zinc/89/26/03/561892603.db2.gz UBWQPNUMOWPKSI-UHFFFAOYSA-N -1 0 532.622 3.848 1 0 KHAFRM CCN1CCC(C(=O)N[C@@H](Cc2ccc(-c3ccccc3OC)cc2)C(=O)[O-])(S(=O)(=O)c2ccccc2)CC1 ZINC000027990478 561892942 /nfs/dbraw/zinc/89/29/42/561892942.db2.gz BTVJSYOGKAPTFJ-SANMLTNESA-N -1 0 550.677 3.803 1 0 KHAFRM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000027991159 561893036 /nfs/dbraw/zinc/89/30/36/561893036.db2.gz DWKQSWOPFOFIHM-CCDWMCETSA-N -1 0 658.699 3.796 1 0 KHAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000027991166 561893066 /nfs/dbraw/zinc/89/30/66/561893066.db2.gz DWKQSWOPFOFIHM-SDHOMARFSA-N -1 0 658.699 3.796 1 0 KHAFRM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000027991171 561893076 /nfs/dbraw/zinc/89/30/76/561893076.db2.gz DWKQSWOPFOFIHM-DSNGMDLFSA-N -1 0 658.699 3.796 1 0 KHAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000027991177 561893028 /nfs/dbraw/zinc/89/30/28/561893028.db2.gz DWKQSWOPFOFIHM-DSITVLBTSA-N -1 0 658.699 3.796 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@H]1CC(=O)[O-] ZINC000027993049 561893346 /nfs/dbraw/zinc/89/33/46/561893346.db2.gz QKEXHCTVRMIPST-HSNHEXMOSA-N -1 0 647.773 3.548 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2ccccc2)NC(=O)[C@@H]1CC(=O)[O-] ZINC000027996019 561893941 /nfs/dbraw/zinc/89/39/41/561893941.db2.gz BFNUEOPFDAISOI-BPXGVECKSA-N -1 0 633.746 3.678 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](Cc2ccccc2)NC(=O)[C@H]1CC(=O)[O-] ZINC000027998861 561894282 /nfs/dbraw/zinc/89/42/82/561894282.db2.gz QKEXHCTVRMIPST-ZLPBPMGLSA-N -1 0 647.773 3.548 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)[O-] ZINC000027998870 561894277 /nfs/dbraw/zinc/89/42/77/561894277.db2.gz QKEXHCTVRMIPST-KHUDPXOFSA-N -1 0 647.773 3.548 1 0 KHAFRM CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000028001490 561894788 /nfs/dbraw/zinc/89/47/88/561894788.db2.gz KRJZRSZIDUORFM-KCHLEUMXSA-N -1 0 662.690 3.701 1 0 KHAFRM CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000028001495 561894829 /nfs/dbraw/zinc/89/48/29/561894829.db2.gz KRJZRSZIDUORFM-PKTNWEFCSA-N -1 0 662.690 3.701 1 0 KHAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000028002265 561894973 /nfs/dbraw/zinc/89/49/73/561894973.db2.gz ARZSEMSWUFDLOI-SDHOMARFSA-N -1 0 658.699 3.796 1 0 KHAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000028002269 561894976 /nfs/dbraw/zinc/89/49/76/561894976.db2.gz ARZSEMSWUFDLOI-DSITVLBTSA-N -1 0 658.699 3.796 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CCc2ccccc2)NC(=O)[C@@H]1CC(=O)[O-] ZINC000028002459 561894980 /nfs/dbraw/zinc/89/49/80/561894980.db2.gz GFKUUQKTBYWHFE-ABYARXGNSA-N -1 0 661.800 3.938 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)[O-] ZINC000028003034 561895069 /nfs/dbraw/zinc/89/50/69/561895069.db2.gz QKEXHCTVRMIPST-JSRHHAARSA-N -1 0 647.773 3.548 1 0 KHAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)C(=O)[O-])cc1 ZINC000028004351 561895213 /nfs/dbraw/zinc/89/52/13/561895213.db2.gz ZUYLZBWPGTXZOO-QHCPKHFHSA-N -1 0 553.633 3.506 1 0 KHAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000028006722 561895637 /nfs/dbraw/zinc/89/56/37/561895637.db2.gz MPZZEJMYDNCQMW-XZOQPEGZSA-N -1 0 596.754 3.677 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)C(=O)[O-] ZINC000028006726 561895680 /nfs/dbraw/zinc/89/56/80/561895680.db2.gz SHAXLXFOLCXADY-NXCFDTQHSA-N -1 0 569.747 3.821 1 0 KHAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCCCC(=O)[O-] ZINC000028007790 561895910 /nfs/dbraw/zinc/89/59/10/561895910.db2.gz MLKHRNAWGXGMII-IZZNHLLZSA-N -1 0 569.747 3.967 1 0 KHAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCOCC2)nc1OCCNS(=O)(=O)c1cccs1 ZINC000028008782 561896046 /nfs/dbraw/zinc/89/60/46/561896046.db2.gz DIAOYWORMSQRFB-UHFFFAOYSA-N -1 0 690.826 3.852 1 0 KHAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCCC(=O)[O-] ZINC000028012639 561896492 /nfs/dbraw/zinc/89/64/92/561896492.db2.gz FHLMWTMLXWIZIG-LOSJGSFVSA-N -1 0 555.720 3.577 1 0 KHAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN(C)Cc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013700 561896793 /nfs/dbraw/zinc/89/67/93/561896793.db2.gz BHACTEQXWFTYBU-NSOVKSMOSA-N -1 0 582.657 3.866 1 0 KHAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN(C)Cc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028013705 561896773 /nfs/dbraw/zinc/89/67/73/561896773.db2.gz BHACTEQXWFTYBU-WUFINQPMSA-N -1 0 582.657 3.866 1 0 KHAFRM CCS(=O)(=O)NCCOc1nc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC ZINC000028015282 561897130 /nfs/dbraw/zinc/89/71/30/561897130.db2.gz GWBCKOWLDKFIHO-UHFFFAOYSA-N -1 0 591.712 3.792 1 0 KHAFRM O=S(=O)([N-]S(=O)(=O)NCCCCc1ccc(Cl)cc1)NCCCCc1ccc(Cl)cc1 ZINC000028017161 561897559 /nfs/dbraw/zinc/89/75/59/561897559.db2.gz JARZUVCQJGZCGL-UHFFFAOYSA-N -1 0 508.493 3.597 1 0 KHAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccccc1C(=O)[O-] ZINC000028020027 561898217 /nfs/dbraw/zinc/89/82/17/561898217.db2.gz MOEROJCXGZXOPA-SDHOMARFSA-N -1 0 658.699 3.796 1 0 KHAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccccc1C(=O)[O-] ZINC000028020032 561898227 /nfs/dbraw/zinc/89/82/27/561898227.db2.gz MOEROJCXGZXOPA-DSITVLBTSA-N -1 0 658.699 3.796 1 0 KHAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN(C)CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028089687 561899676 /nfs/dbraw/zinc/89/96/76/561899676.db2.gz VCHZFVIGXWMBDQ-VMPREFPWSA-N -1 0 596.684 3.908 1 0 KHAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN(C)CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028089693 561899652 /nfs/dbraw/zinc/89/96/52/561899652.db2.gz VCHZFVIGXWMBDQ-URLMMPGGSA-N -1 0 596.684 3.908 1 0 KHAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCC(O)CC2)nc1C(=O)[O-] ZINC000028092438 561900254 /nfs/dbraw/zinc/90/02/54/561900254.db2.gz ZEOPZXRWSAYYJV-ZYFYDLNSSA-N -1 0 553.660 3.590 1 0 KHAFRM Cc1oc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NS(=O)(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000028098340 561901247 /nfs/dbraw/zinc/90/12/47/561901247.db2.gz CYQSEDKCFQASLU-XZOQPEGZSA-N -1 0 559.689 3.688 1 0 KHAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](Oc2ccnc3cc(C(F)(F)F)ccc32)C[C@H]1C(=O)NC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028099056 561901212 /nfs/dbraw/zinc/90/12/12/561901212.db2.gz JWEXEIZLAFDSLJ-VUFXOVIRSA-N -1 0 689.732 3.561 1 0 KHAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](Oc2cccc(-c3ccccc3)c2)C[C@H]1C(=O)NC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028102881 561901924 /nfs/dbraw/zinc/90/19/24/561901924.db2.gz ALVHWUZNBHUOBT-BHSUFKTOSA-N -1 0 646.785 3.661 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1nccc2ccccc21 ZINC000028103761 561901992 /nfs/dbraw/zinc/90/19/92/561901992.db2.gz SDGSHIPKLHLUGL-OUTSHDOLSA-N -1 0 557.603 3.515 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc2cccnc21 ZINC000028103792 561902047 /nfs/dbraw/zinc/90/20/47/561902047.db2.gz UYRFXBLDNXPVEW-IADCTJSHSA-N -1 0 557.603 3.515 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc2ccccc2cn1 ZINC000028103797 561902053 /nfs/dbraw/zinc/90/20/53/561902053.db2.gz FEGGQOGOEPZWKW-NGQVCNFZSA-N -1 0 557.603 3.515 1 0 KHAFRM CNCC(=O)OCCOc1nc(C)nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC ZINC000028105722 561902186 /nfs/dbraw/zinc/90/21/86/561902186.db2.gz VAYHZKZVSIYORZ-UHFFFAOYSA-N -1 0 558.657 3.826 1 0 KHAFRM O=S(=O)([N-]S(=O)(=O)NCCc1cccc(SC(F)(F)F)c1)NCCc1cccc(SC(F)(F)F)c1 ZINC000028105882 561902293 /nfs/dbraw/zinc/90/22/93/561902293.db2.gz VHRKOQFSBFBIDY-UHFFFAOYSA-N -1 0 583.623 3.954 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cncc2ccccc21 ZINC000028110072 561902904 /nfs/dbraw/zinc/90/29/04/561902904.db2.gz MJBHVAJFQQGQMC-NGQVCNFZSA-N -1 0 557.603 3.515 1 0 KHAFRM Cc1oc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)NCC(=O)[O-] ZINC000028110281 561903045 /nfs/dbraw/zinc/90/30/45/561903045.db2.gz OGSBKIGGYCBWRC-BJKOFHAPSA-N -1 0 580.686 3.679 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nc2ccccc2[nH]1 ZINC000028111399 561903139 /nfs/dbraw/zinc/90/31/39/561903139.db2.gz LJXBLWIESJZEIY-CUNXSJBXSA-N -1 0 562.648 3.557 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nc2ccccc2o1 ZINC000028112718 561903244 /nfs/dbraw/zinc/90/32/44/561903244.db2.gz CRTKUSCTPMJACS-IDISGSTGSA-N -1 0 563.632 3.822 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc2ccccc2n1 ZINC000028117365 561903937 /nfs/dbraw/zinc/90/39/37/561903937.db2.gz SPHGXUCRDNWENT-NGQVCNFZSA-N -1 0 557.603 3.515 1 0 KHAFRM CC(C)(c1nc(-c2ccccc2)c(C(=O)OCCO)s1)c1c(Cl)cc(-n2ncc(=O)[n-]c2=O)cc1Cl ZINC000028117369 561903943 /nfs/dbraw/zinc/90/39/43/561903943.db2.gz GRWIRRRCKLSCAW-UHFFFAOYSA-N -1 0 547.420 3.826 1 0 KHAFRM CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000028131360 561905632 /nfs/dbraw/zinc/90/56/32/561905632.db2.gz PGNBRVWENKDFOU-UWJYYQICSA-N -1 0 539.368 3.952 1 0 KHAFRM CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000028131366 561905614 /nfs/dbraw/zinc/90/56/14/561905614.db2.gz PGNBRVWENKDFOU-UTKZUKDTSA-N -1 0 539.368 3.952 1 0 KHAFRM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)[P@@](=O)([O-])C[C@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000028227139 561908310 /nfs/dbraw/zinc/90/83/10/561908310.db2.gz UZIPWLFVCPPGDS-HFFYFMGZSA-N -1 0 586.670 3.662 1 0 KHAFRM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)[P@@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000028227141 561908336 /nfs/dbraw/zinc/90/83/36/561908336.db2.gz UZIPWLFVCPPGDS-BBVYRSAVSA-N -1 0 586.670 3.662 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028230840 561909081 /nfs/dbraw/zinc/90/90/81/561909081.db2.gz NSVIJDMVTBZCRP-ASVWTAOFSA-N -1 0 707.765 3.920 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028230845 561909065 /nfs/dbraw/zinc/90/90/65/561909065.db2.gz NSVIJDMVTBZCRP-LMERMFHRSA-N -1 0 707.765 3.920 1 0 KHAFRM Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)[O-])C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000028236300 561909841 /nfs/dbraw/zinc/90/98/41/561909841.db2.gz NATTYDXGJMUAEY-QZFRTWIZSA-N -1 0 655.814 3.781 1 0 KHAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2cc(Cl)c(Cl)cc2C1)N1CCc2cc(Cl)c(Cl)cc2C1 ZINC000028236882 561910000 /nfs/dbraw/zinc/91/00/00/561910000.db2.gz FHIYLAWOPNPXCK-UHFFFAOYSA-N -1 0 545.297 3.796 1 0 KHAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2C1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000028236887 561909997 /nfs/dbraw/zinc/90/99/97/561909997.db2.gz RDVOGXMTMDMWQU-UHFFFAOYSA-N -1 0 545.297 3.796 1 0 KHAFRM O=S(=O)([N-]S(=O)(=O)N[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000028240342 561910384 /nfs/dbraw/zinc/91/03/84/561910384.db2.gz KFVDGJUNDHPGLF-FRVJLOGJSA-N -1 0 545.297 3.971 1 0 KHAFRM O=S(=O)([N-]S(=O)(=O)N[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000028240349 561910334 /nfs/dbraw/zinc/91/03/34/561910334.db2.gz KFVDGJUNDHPGLF-RHMWETHNSA-N -1 0 545.297 3.971 1 0 KHAFRM O=S(=O)([N-]S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000028240357 561910354 /nfs/dbraw/zinc/91/03/54/561910354.db2.gz KFVDGJUNDHPGLF-FVEFGIFQSA-N -1 0 545.297 3.971 1 0 KHAFRM O=S(=O)([N-]S(=O)(=O)N[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000028240366 561910399 /nfs/dbraw/zinc/91/03/99/561910399.db2.gz KFVDGJUNDHPGLF-GWIYSAMLSA-N -1 0 545.297 3.971 1 0 KHAFRM CSc1ccc2c(c1Cl)CN(S(=O)(=O)[N-]S(=O)(=O)N1CCc3ccc(SC)c(Cl)c3C1)CC2 ZINC000028241759 561910468 /nfs/dbraw/zinc/91/04/68/561910468.db2.gz NDYLHJIVMLORTD-UHFFFAOYSA-N -1 0 568.595 3.933 1 0 KHAFRM COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000028242112 561910488 /nfs/dbraw/zinc/91/04/88/561910488.db2.gz ICAJBYFFVLBKFQ-XMMPIXPASA-N -1 0 562.641 3.715 1 0 KHAFRM COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)OC2CCCCC2)C(=O)[O-])cc1 ZINC000028243031 561910631 /nfs/dbraw/zinc/91/06/31/561910631.db2.gz CTRBFEYQSCWYEG-JOCHJYFZSA-N -1 0 533.599 3.724 1 0 KHAFRM O=C([O-])CCc1ccccc1C(=O)N1[C@@H](O)CC[C@H]1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 ZINC000028257831 561911780 /nfs/dbraw/zinc/91/17/80/561911780.db2.gz DYXDCJRGUCVRCL-VXKWHMMOSA-N -1 0 511.962 3.613 1 0 KHAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000028331645 561912858 /nfs/dbraw/zinc/91/28/58/561912858.db2.gz LYIQTSRHBZHIPH-XMMPIXPASA-N -1 0 506.603 3.886 1 0 KHAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCC[C@H]2C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000028331652 561912829 /nfs/dbraw/zinc/91/28/29/561912829.db2.gz LYIQTSRHBZHIPH-DEOSSOPVSA-N -1 0 506.603 3.886 1 0 KHAFRM CCOC(=O)c1sc([N-]c2nc3c(c(N4CCN(C)CC4)n2)CCCN3Cc2cc(OC)c(OC)c(OC)c2)nc1C ZINC000028336674 561913417 /nfs/dbraw/zinc/91/34/17/561913417.db2.gz QDDUTSNRPWHNAI-UHFFFAOYSA-N -1 0 597.742 3.892 1 0 KHAFRM C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C ZINC000028363188 561917170 /nfs/dbraw/zinc/91/71/70/561917170.db2.gz IHSFIXYDCGBFTD-WNMDQHRLSA-N -1 0 593.765 3.769 1 0 KHAFRM COc1ccc(NC(=O)OCc2cn(-c3cc4nc(C(=O)[O-])c(=O)[nH]c4cc3C(F)(F)F)cn2)cc1 ZINC000028390303 561922073 /nfs/dbraw/zinc/92/20/73/561922073.db2.gz YPZLCYSDYJOQCO-UHFFFAOYSA-N -1 0 503.393 3.995 1 0 KHAFRM COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cc(C(=O)[O-])ccc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028390700 561922243 /nfs/dbraw/zinc/92/22/43/561922243.db2.gz LBKFTZWFUPSPQK-IBGZPJMESA-N -1 0 574.613 3.926 1 0 KHAFRM COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cc(C(=O)[O-])ccc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028390705 561922253 /nfs/dbraw/zinc/92/22/53/561922253.db2.gz LBKFTZWFUPSPQK-LJQANCHMSA-N -1 0 574.613 3.926 1 0 KHAFRM C[C@H](Cc1c[nH]c2c1cccc2OCC(=O)[O-])[NH2+]C[C@H](O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000028459962 561924901 /nfs/dbraw/zinc/92/49/01/561924901.db2.gz WATLMDUSELNTHD-IERDGZPVSA-N -1 0 529.640 3.748 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nnc(-c2ccccc2)o1 ZINC000028462483 561925495 /nfs/dbraw/zinc/92/54/95/561925495.db2.gz TXEIIJLAVXEXHD-CUNXSJBXSA-N -1 0 590.658 3.730 1 0 KHAFRM CS(=O)(=O)c1ccc([C@@H](CC(=O)[O-])n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)cn1 ZINC000028465106 561926190 /nfs/dbraw/zinc/92/61/90/561926190.db2.gz JSXRQHGDURETKY-XMMPIXPASA-N -1 0 520.611 3.879 1 0 KHAFRM CS(=O)(=O)c1ccc([C@H](CC(=O)[O-])n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)cn1 ZINC000028465111 561926154 /nfs/dbraw/zinc/92/61/54/561926154.db2.gz JSXRQHGDURETKY-DEOSSOPVSA-N -1 0 520.611 3.879 1 0 KHAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nc(-c2ccccc2)no1 ZINC000028466824 561926292 /nfs/dbraw/zinc/92/62/92/561926292.db2.gz BTHINJDQULJENR-CUNXSJBXSA-N -1 0 590.658 3.730 1 0 KHAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2cccc(N3CCOCC3)c2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028472877 561927250 /nfs/dbraw/zinc/92/72/50/561927250.db2.gz USQZSVMTEGOQKD-SBXCRHSASA-N -1 0 653.817 3.916 1 0 KHAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2cccc(N3CCOCC3)c2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028472880 561927257 /nfs/dbraw/zinc/92/72/57/561927257.db2.gz USQZSVMTEGOQKD-IDXIAUNTSA-N -1 0 653.817 3.916 1 0 KHAFRM CC(=O)c1ccc(N2CCN(C3(c4ccc(OCc5cc(C)nc6ccccc56)cc4)C(=O)[N-]C(=O)NC3=O)CC2)cc1 ZINC000028473630 561927366 /nfs/dbraw/zinc/92/73/66/561927366.db2.gz JXUDAYOKNXBKHH-UHFFFAOYSA-N -1 0 577.641 3.708 1 0 KHAFRM CS(=O)(=O)c1cncc([C@@H](CC(=O)[O-])n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028475421 561927905 /nfs/dbraw/zinc/92/79/05/561927905.db2.gz XRFHJLOFJUFLJB-RUZDIDTESA-N -1 0 520.611 3.879 1 0 KHAFRM CS(=O)(=O)c1cncc([C@H](CC(=O)[O-])n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1 ZINC000028475424 561927922 /nfs/dbraw/zinc/92/79/22/561927922.db2.gz XRFHJLOFJUFLJB-VWLOTQADSA-N -1 0 520.611 3.879 1 0 KHAFRM Cc1cc(COc2ccc(C3(N4CCN(CCc5ccccc5)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028476041 561928191 /nfs/dbraw/zinc/92/81/91/561928191.db2.gz OCBYWAVDKLDIDI-UHFFFAOYSA-N -1 0 563.658 3.544 1 0 KHAFRM O=C(c1cccc(I)c1)N1CCN(C2(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000028476419 561928280 /nfs/dbraw/zinc/92/82/80/561928280.db2.gz WHDVUUKXFNOVHH-UHFFFAOYSA-N -1 0 689.304 3.865 1 0 KHAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 ZINC000028477415 561928520 /nfs/dbraw/zinc/92/85/20/561928520.db2.gz XELMXWWFZOQXPP-BDYUSTAISA-N -1 0 556.619 3.785 1 0 KHAFRM O=C1[N-]C(=O)C(c2ccc(Oc3ccc(Br)cc3)cc2)(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1 ZINC000028477832 561928721 /nfs/dbraw/zinc/92/87/21/561928721.db2.gz FFOFJMKSEMVOQQ-UHFFFAOYSA-N -1 0 553.388 3.764 1 0 KHAFRM Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(C(=O)[O-])cc3)C(C)C)C2=O)cs1 ZINC000028525619 561931462 /nfs/dbraw/zinc/93/14/62/561931462.db2.gz NIVFLNXJWPPTJH-YPKYBTACSA-N -1 0 699.896 3.847 1 0 KHAFRM C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccc(O)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)[O-])NC1=O ZINC000028525665 561931555 /nfs/dbraw/zinc/93/15/55/561931555.db2.gz OYJUVUSUHXNYOQ-VFPBUGQVSA-N -1 0 633.698 3.836 1 0 KHAFRM C[C@@H](OCc1ccccc1)[C@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccc(O)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)[O-])NC1=O ZINC000028525666 561931533 /nfs/dbraw/zinc/93/15/33/561931533.db2.gz OYJUVUSUHXNYOQ-XYNAZSQYSA-N -1 0 633.698 3.836 1 0 KHAFRM C[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028527369 561932378 /nfs/dbraw/zinc/93/23/78/561932378.db2.gz YERUFWIDABDQJG-XOBRGWDASA-N -1 0 625.616 3.889 1 0 KHAFRM CCC[C@@H](NC(=O)[C@@H]1Cc2cccc(c2)CCCCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528288 561932962 /nfs/dbraw/zinc/93/29/62/561932962.db2.gz MRGBFMHIJSOQIX-ZWDPFIGPSA-N -1 0 745.918 3.588 1 0 KHAFRM CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)CCCCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528289 561932892 /nfs/dbraw/zinc/93/28/92/561932892.db2.gz MRGBFMHIJSOQIX-VOIOCNMVSA-N -1 0 745.918 3.588 1 0 KHAFRM CCC[C@@H](NC(=O)[C@@H]1Cc2cccc(c2)/C=C/CCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528706 561933223 /nfs/dbraw/zinc/93/32/23/561933223.db2.gz RYKGRKUXNVWMOG-VUVSXSPKSA-N -1 0 743.902 3.669 1 0 KHAFRM CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)/C=C/CCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000028528707 561933339 /nfs/dbraw/zinc/93/33/39/561933339.db2.gz RYKGRKUXNVWMOG-WDDYJCATSA-N -1 0 743.902 3.669 1 0 KHAFRM COc1cc2c(cc1OCCCN1CCOCC1)ncnc2[N-]c1ncc(CC(=O)Nc2cccc(F)c2)o1 ZINC000028568606 561937433 /nfs/dbraw/zinc/93/74/33/561937433.db2.gz LTAXYBWNTNCTIU-UHFFFAOYSA-N -1 0 536.564 3.791 1 0 KHAFRM CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4c(F)cc5c(=O)c(C(=O)[O-])cn(C6CC6)c5c4F)C[C@@H]3CO)c(=O)[nH]2)ccc1C ZINC000028568938 561937693 /nfs/dbraw/zinc/93/76/93/561937693.db2.gz XHSSTBPTQHSWCP-XMMPIXPASA-N -1 0 678.737 3.741 1 0 KHAFRM CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5CC)CC3)c(=O)[nH]2)ccc1C ZINC000028569675 561938365 /nfs/dbraw/zinc/93/83/65/561938365.db2.gz NNTJRXFQKMHWCH-UHFFFAOYSA-N -1 0 618.710 3.926 1 0 KHAFRM Cc1ccc(Nc2cc(=O)n(CCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(=O)[nH]2)cc1C ZINC000028570012 561938433 /nfs/dbraw/zinc/93/84/33/561938433.db2.gz QMEXXOBVLGXEIR-UHFFFAOYSA-N -1 0 616.694 3.987 1 0 KHAFRM CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(Cc2ccc(Cn3c(=O)ccn(CC(=O)[O-])c3=O)cc2)c1=O ZINC000028570137 561938594 /nfs/dbraw/zinc/93/85/94/561938594.db2.gz XZWUGEQEKWHIDI-UHFFFAOYSA-N -1 0 606.683 3.752 1 0 KHAFRM CC[C@H](NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)OC)C(C)C)C(=O)[O-] ZINC000028640820 561943053 /nfs/dbraw/zinc/94/30/53/561943053.db2.gz WOSROUJVJYRGME-BHTIYPQOSA-N -1 0 603.672 3.897 1 0 KHAFRM CC[C@H](NC(=O)[C@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)OC)C(C)C)C(=O)[O-] ZINC000028640823 561943071 /nfs/dbraw/zinc/94/30/71/561943071.db2.gz WOSROUJVJYRGME-ZWRXNQGESA-N -1 0 603.672 3.897 1 0 KHAFRM CC[C@H](NC(=O)[C@@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)OC)C(C)C)C(=O)[O-] ZINC000028640825 561943032 /nfs/dbraw/zinc/94/30/32/561943032.db2.gz WOSROUJVJYRGME-BRORVBEISA-N -1 0 603.672 3.897 1 0 KHAFRM CC[C@H](NC(=O)[C@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)OC)C(C)C)C(=O)[O-] ZINC000028640827 561943029 /nfs/dbraw/zinc/94/30/29/561943029.db2.gz WOSROUJVJYRGME-OPRFGOCDSA-N -1 0 603.672 3.897 1 0 KHAFRM CC(C)C[C@H](NC(=O)c1ccc(-c2ccc(NC(C)C)cc2C(=O)Nc2cccc(C(N)=O)c2)c(C(=O)[O-])c1)C(N)=O ZINC000028641064 561943043 /nfs/dbraw/zinc/94/30/43/561943043.db2.gz JLRUHNWJISIVJH-SANMLTNESA-N -1 0 573.650 3.853 1 0 KHAFRM CC(C)C[C@H](CO)NC(=O)c1ccc(-c2ccccc2C(=O)Nc2cccc(C(N)=O)c2)c(C(=O)[O-])c1 ZINC000028641251 561943213 /nfs/dbraw/zinc/94/32/13/561943213.db2.gz DFDHXQHIXSOGHF-HXUWFJFHSA-N -1 0 503.555 3.540 1 0 KHAFRM CC(C)C[C@@H](CO)NC(=O)c1ccc(-c2ccccc2C(=O)Nc2cccc(C(N)=O)c2)c(C(=O)[O-])c1 ZINC000028641418 561943269 /nfs/dbraw/zinc/94/32/69/561943269.db2.gz DFDHXQHIXSOGHF-FQEVSTJZSA-N -1 0 503.555 3.540 1 0 KHAFRM CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2C(=O)Nc2cccc(C(N)=O)c2)c(C(=O)[O-])c1)C(=O)N(C)C ZINC000028642173 561943499 /nfs/dbraw/zinc/94/34/99/561943499.db2.gz TYVBQMIVRFOXDH-VWLOTQADSA-N -1 0 544.608 3.636 1 0 KHAFRM CNc1ccc(-c2ccc(C(=O)N[C@H](CO)CC(C)C)cc2C(=O)[O-])c(C(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000028642499 561943719 /nfs/dbraw/zinc/94/37/19/561943719.db2.gz NFGTVQUIRIAXIH-NRFANRHFSA-N -1 0 532.597 3.582 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc-3o2)ccc1OC ZINC000028703024 561947558 /nfs/dbraw/zinc/94/75/58/561947558.db2.gz QRLKAYFRZABNIG-UHFFFAOYSA-N -1 0 632.666 3.848 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(OC)cc5OC)CC4)cc-3o2)ccc1OC ZINC000028703028 561947577 /nfs/dbraw/zinc/94/75/77/561947577.db2.gz RSTLGRPGRRPTRW-UHFFFAOYSA-N -1 0 662.692 3.857 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5c(OC)cc(OC)cc5OC)CC4)cc-3o2)ccc1OC ZINC000028703030 561947550 /nfs/dbraw/zinc/94/75/50/561947550.db2.gz ZLFKEEOPQGMFGO-UHFFFAOYSA-N -1 0 692.718 3.865 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(O)c(OC)c5OC)CC4)cc-3o2)ccc1OC ZINC000028703032 561947597 /nfs/dbraw/zinc/94/75/97/561947597.db2.gz FHZIPCJLSUODOC-UHFFFAOYSA-N -1 0 678.691 3.562 1 0 KHAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc-3o2)ccc1OC ZINC000028703038 561947535 /nfs/dbraw/zinc/94/75/35/561947535.db2.gz YOAGXPYCSXOROP-UHFFFAOYSA-N -1 0 612.632 3.574 1 0 KHAFRM CCCCn1c2[nH]c(Cc3ccc([N-]S(=O)(=O)c4c(C)nn(C)c4Cl)cc3)nc2c(=O)n(Cc2ccccc2F)c1=O ZINC000028708887 561950588 /nfs/dbraw/zinc/95/05/88/561950588.db2.gz MTTQDSZMHKSAMH-UHFFFAOYSA-N -1 0 614.103 3.961 1 0 KHAFRM C[C@H]1COc2c(N3CCN(CC(=O)c4ccc(Br)cc4)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000028712696 561953207 /nfs/dbraw/zinc/95/32/07/561953207.db2.gz AORWPJXUEJZYIX-AWEZNQCLSA-N -1 0 544.377 3.560 1 0 KHAFRM CC(C)(C)OC(=O)N1CCC([C@H](C(=O)[O-])[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000028757219 561956687 /nfs/dbraw/zinc/95/66/87/561956687.db2.gz RYYDXOKNSQYIAR-XPGKHFPBSA-N -1 0 538.641 3.673 1 0 KHAFRM CC(C)(C)OC(=O)N1CCC([C@H](C(=O)[O-])[C@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000028757222 561956711 /nfs/dbraw/zinc/95/67/11/561956711.db2.gz RYYDXOKNSQYIAR-QYOOZWMWSA-N -1 0 538.641 3.673 1 0 KHAFRM CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028764015 561958910 /nfs/dbraw/zinc/95/89/10/561958910.db2.gz FUMPSPVADIUVFZ-VWYPKUQYSA-N -1 0 587.673 3.583 1 0 KHAFRM CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028764017 561958880 /nfs/dbraw/zinc/95/88/80/561958880.db2.gz FUMPSPVADIUVFZ-WWDWLDGVSA-N -1 0 587.673 3.583 1 0 KHAFRM CCCCc1ncc(NC(=O)c2cccc3ccccc32)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028764365 561959075 /nfs/dbraw/zinc/95/90/75/561959075.db2.gz QUFRCDGMMIYCSG-VWLOTQADSA-N -1 0 584.629 3.599 1 0 KHAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028764413 561959172 /nfs/dbraw/zinc/95/91/72/561959172.db2.gz HSOPICXGMPJZAC-UIOOFZCWSA-N -1 0 555.587 3.813 1 0 KHAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028764414 561959165 /nfs/dbraw/zinc/95/91/65/561959165.db2.gz HSOPICXGMPJZAC-IZZNHLLZSA-N -1 0 555.587 3.813 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)c2cccc3ccccc32)cnc1-c1ccccc1)C(=O)COc1ccccc1 ZINC000028764640 561959141 /nfs/dbraw/zinc/95/91/41/561959141.db2.gz KHBUKWPJQFJDJJ-MHZLTWQESA-N -1 0 604.619 3.923 1 0 KHAFRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028764665 561959199 /nfs/dbraw/zinc/95/91/99/561959199.db2.gz PSECWNVCKDNWEA-UIOOFZCWSA-N -1 0 555.587 3.813 1 0 KHAFRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028764666 561959197 /nfs/dbraw/zinc/95/91/97/561959197.db2.gz PSECWNVCKDNWEA-IZZNHLLZSA-N -1 0 555.587 3.813 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)[C@@H](c1ccccn1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 ZINC000028764775 561959284 /nfs/dbraw/zinc/95/92/84/561959284.db2.gz DCWOSYBSVWRVTH-QCENPCRXSA-N -1 0 604.619 3.846 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)[C@H](c1ccccn1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 ZINC000028764777 561959297 /nfs/dbraw/zinc/95/92/97/561959297.db2.gz DCWOSYBSVWRVTH-IZEXYCQBSA-N -1 0 604.619 3.846 1 0 KHAFRM CCCc1ccc(NC(=O)c2cccc3ccccc32)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028765018 561959378 /nfs/dbraw/zinc/95/93/78/561959378.db2.gz NPWUFNABDUDRNG-MHZLTWQESA-N -1 0 569.614 3.814 1 0 KHAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2[C@@H](O)CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000028767541 561959922 /nfs/dbraw/zinc/95/99/22/561959922.db2.gz LTMQOAYQBDWTIQ-LSQMVHIFSA-N -1 0 593.485 3.605 1 0 KHAFRM O=C([O-])C[C@@H](NC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)c1cc(Cl)cc(Cl)c1 ZINC000028771810 561961501 /nfs/dbraw/zinc/96/15/01/561961501.db2.gz BZQOJXDBIMQBSY-GOSISDBHSA-N -1 0 533.368 3.970 1 0 KHAFRM O=C([O-])C[C@H](NC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)c1cc(Cl)cc(Cl)c1 ZINC000028771813 561961481 /nfs/dbraw/zinc/96/14/81/561961481.db2.gz BZQOJXDBIMQBSY-SFHVURJKSA-N -1 0 533.368 3.970 1 0 KHAFRM O=C([O-])[C@@H](CCCCNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)NC(=O)OCc1ccccc1 ZINC000028772234 561961677 /nfs/dbraw/zinc/96/16/77/561961677.db2.gz NAYXLUORPNUFIQ-OAQYLSRUSA-N -1 0 522.558 3.881 1 0 KHAFRM C[C@@H](NC(=O)C1([N-]C(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)ccc2-c2nnn(C)n2)cc1F ZINC000028822405 561966932 /nfs/dbraw/zinc/96/69/32/561966932.db2.gz WSAPABRQSFXKRZ-LLVKDONJSA-N -1 0 510.879 3.725 1 0 KHAFRM C[C@@H](NC(=O)C1([N-]C(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F ZINC000028822443 561966984 /nfs/dbraw/zinc/96/69/84/561966984.db2.gz KMHUQARATPHJCL-SNVBAGLBSA-N -1 0 528.869 3.864 1 0 KHAFRM C[C@@H](NC(=O)C1([N-]C(=O)C(F)(F)F)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2-c2nnn(C)n2)cc1F ZINC000028822455 561966942 /nfs/dbraw/zinc/96/69/42/561966942.db2.gz MFWITJBJMCEICG-SECBINFHSA-N -1 0 546.312 3.773 1 0 KHAFRM O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2nc(-c3ccccc3)[n-]c2=O)CC1 ZINC000028824314 561969405 /nfs/dbraw/zinc/96/94/05/561969405.db2.gz ANPOMVNSKAJOBS-AOYPEHQESA-N -1 0 528.657 3.770 1 0 KHAFRM O=C(N[C@@H]1C[C@@H](c2ccccc2)CCN(CC2CC2)C1=O)N1CCC(n2nc(-c3ccccc3)[n-]c2=O)CC1 ZINC000028824316 561969441 /nfs/dbraw/zinc/96/94/41/561969441.db2.gz TUXVCNZWFXHVRY-AZGAKELHSA-N -1 0 528.657 3.770 1 0 KHAFRM O=C(N[C@H]1C[C@@H](c2ccccc2)CCN(CC2CC2)C1=O)N1CCC(n2nc(-c3ccccc3)[n-]c2=O)CC1 ZINC000028824317 561969394 /nfs/dbraw/zinc/96/93/94/561969394.db2.gz TUXVCNZWFXHVRY-AHWVRZQESA-N -1 0 528.657 3.770 1 0 KHAFRM O=C(N[C@@H]1C[C@H](c2ccccc2)CCN(CC2CC2)C1=O)N1CCC(n2nc(-c3ccccc3)[n-]c2=O)CC1 ZINC000028824318 561969437 /nfs/dbraw/zinc/96/94/37/561969437.db2.gz TUXVCNZWFXHVRY-AOYPEHQESA-N -1 0 528.657 3.770 1 0 KHAFRM O=C(N[C@H]1C[C@H](c2ccccc2)CCN(CC2CC2)C1=O)N1CCC(n2nc(-c3ccccc3)[n-]c2=O)CC1 ZINC000028824319 561969383 /nfs/dbraw/zinc/96/93/83/561969383.db2.gz TUXVCNZWFXHVRY-RSXGOPAZSA-N -1 0 528.657 3.770 1 0 KHAFRM Cc1c(OCC(=O)[O-])c(-c2nn[nH]n2)sc1-c1cccc(OC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000028887038 561977662 /nfs/dbraw/zinc/97/76/62/561977662.db2.gz NWDNWXYXMBQAPB-UHFFFAOYSA-N -1 0 569.665 3.740 1 0 KHAFRM CCCOc1ccc(S(=O)(=O)N2CCC(CCCC(=O)[O-])CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000028895659 561979009 /nfs/dbraw/zinc/97/90/09/561979009.db2.gz BDGPLVZEZZCILV-UHFFFAOYSA-N -1 0 559.689 3.721 1 0 KHAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2F)cc1 ZINC000028898414 561979530 /nfs/dbraw/zinc/97/95/30/561979530.db2.gz DKEWQHMCEHMKEU-AWEZNQCLSA-N -1 0 551.561 3.992 1 0 KHAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(N)cc2S(=O)(=O)c2ccccc2F)cc1 ZINC000028898543 561979488 /nfs/dbraw/zinc/97/94/88/561979488.db2.gz PMIRIEIFLULQEW-ZDUSSCGKSA-N -1 0 566.576 3.574 1 0 KHAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccn2)cc1 ZINC000028898674 561979553 /nfs/dbraw/zinc/97/95/53/561979553.db2.gz DAUPFGNJNALKJX-ZDUSSCGKSA-N -1 0 569.004 3.901 1 0 KHAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000028898890 561979630 /nfs/dbraw/zinc/97/96/30/561979630.db2.gz DFNXDXLOUCEKHQ-LBPRGKRZSA-N -1 0 563.041 3.750 1 0 KHAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)N2CCCCC2)cc1 ZINC000028898895 561979669 /nfs/dbraw/zinc/97/96/69/561979669.db2.gz NQIISEUTDQNSEQ-AWEZNQCLSA-N -1 0 575.052 3.848 1 0 KHAFRM COc1ccccc1-c1cc(OC[C@H]2COc3ncccc3O2)ccc1C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000028957477 561983276 /nfs/dbraw/zinc/98/32/76/561983276.db2.gz WCUWVOPQWZFIFS-AVRDEDQJSA-N -1 0 524.595 3.912 1 0 KHAFRM COc1ccccc1-c1cc(OC[C@@H]2COc3ncccc3O2)ccc1C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000028957482 561983278 /nfs/dbraw/zinc/98/32/78/561983278.db2.gz WCUWVOPQWZFIFS-XMSQKQJNSA-N -1 0 524.595 3.912 1 0 KHAFRM COc1ccccc1-c1cc(OC[C@H]2COc3ncccc3O2)ccc1C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000028957509 561983292 /nfs/dbraw/zinc/98/32/92/561983292.db2.gz WCUWVOPQWZFIFS-PGRDOPGGSA-N -1 0 524.595 3.912 1 0 KHAFRM COc1ccccc1-c1cc(OC[C@@H]2COc3ncccc3O2)ccc1C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000028957512 561983330 /nfs/dbraw/zinc/98/33/30/561983330.db2.gz WCUWVOPQWZFIFS-GCJKJVERSA-N -1 0 524.595 3.912 1 0 KHAFRM CS(=O)(=O)[N-]c1cc(C(=O)C[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1[O-] ZINC000028958003 561983435 /nfs/dbraw/zinc/98/34/35/561983435.db2.gz ZOVGRRZNOGLORY-IFMALSPDSA-N -1 0 534.581 3.872 1 0 KHAFRM O=C1[N-]C(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc5cc(Cl)ccc5[nH]4)cc3)nc2)C(=O)N1 ZINC000028960799 561984130 /nfs/dbraw/zinc/98/41/30/561984130.db2.gz MYWFODDQTUULHX-UHFFFAOYSA-N -1 0 502.918 3.776 1 0 KHAFRM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)N2CCCCC2)c1OC ZINC000028969374 561985670 /nfs/dbraw/zinc/98/56/70/561985670.db2.gz JDGOYAGNVTZMEO-UHFFFAOYSA-N -1 0 517.423 3.733 1 0 KHAFRM COCCOC(=O)N1CCC([C@H](C(=O)[O-])N(Cc2cccnc2)S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000028975494 561986556 /nfs/dbraw/zinc/98/65/56/561986556.db2.gz APXZBXMVEOBZDS-MUUNZHRXSA-N -1 0 597.690 3.896 1 0 KHAFRM COCCOC(=O)N1CCC([C@@H](C(=O)[O-])N(Cc2cccnc2)S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000028975500 561986533 /nfs/dbraw/zinc/98/65/33/561986533.db2.gz APXZBXMVEOBZDS-NDEPHWFRSA-N -1 0 597.690 3.896 1 0 KHAFRM Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCCCOc3cccc(O)c3C(=O)[O-])N2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O ZINC000028977737 561987472 /nfs/dbraw/zinc/98/74/72/561987472.db2.gz MTVDVLMUFHSRJN-OKEQGEBHSA-N -1 0 702.783 3.778 1 0 KHAFRM Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCCCOc3cccc(O)c3C(=O)[O-])N2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O ZINC000028977741 561987477 /nfs/dbraw/zinc/98/74/77/561987477.db2.gz MTVDVLMUFHSRJN-ATILKMQGSA-N -1 0 702.783 3.778 1 0 KHAFRM Cc1cc(C[C@@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCCCOc3cccc(O)c3C(=O)[O-])N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O ZINC000028977746 561987438 /nfs/dbraw/zinc/98/74/38/561987438.db2.gz MTVDVLMUFHSRJN-WSOLHVCVSA-N -1 0 702.783 3.778 1 0 KHAFRM Cc1cc(C[C@H](NS(=O)(=O)c2cccc(F)c2)C2=[NH+]C[C@@H](CCCCOc3cccc(O)c3C(=O)[O-])N2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O ZINC000028977752 561987468 /nfs/dbraw/zinc/98/74/68/561987468.db2.gz MTVDVLMUFHSRJN-MDQGVCTMSA-N -1 0 702.783 3.778 1 0 KHAFRM Cc1ccc(N2CCN(c3ccc(C[C@H](NC(=O)[C@@H]4CCCN4S(=O)(=O)c4ccc(C)cc4)C(=O)[O-])cc3)CC2)cc1 ZINC000028978628 561987980 /nfs/dbraw/zinc/98/79/80/561987980.db2.gz BOZBYFDEPITTPF-KYJUHHDHSA-N -1 0 590.746 3.595 1 0 KHAFRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(N3CCN(c4cccc(C)c4C)CC3)cc2)C(=O)[O-])cc1 ZINC000028978633 561987942 /nfs/dbraw/zinc/98/79/42/561987942.db2.gz RJMUZBGFVXULMJ-SMCANUKXSA-N -1 0 604.773 3.904 1 0 KHAFRM CC(C)c1c(S(=O)(=O)N2CCN(C)CC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037723 561988710 /nfs/dbraw/zinc/98/87/10/561988710.db2.gz NQPKWFHCRRXCBX-CLJLJLNGSA-N -1 0 601.741 3.997 1 0 KHAFRM O=C(Cn1cc(Nc2nncc3cc(OCCC[N@H+]4CCC[C@@H]4COP(=O)([O-])[O-])ccc32)cn1)Nc1cccc(F)c1F ZINC000029041230 561991090 /nfs/dbraw/zinc/99/10/90/561991090.db2.gz MSOXUNRESBTCBO-HXUWFJFHSA-N -1 0 617.550 3.829 1 0 KHAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OCCC(=O)N(C(C)=O)C(=O)c3ccccc3)cc2)cc1 ZINC000029043194 561991882 /nfs/dbraw/zinc/99/18/82/561991882.db2.gz OSAQGXMPWVOCKW-UHFFFAOYSA-N -1 0 548.548 3.765 1 0 KHAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cs1)C(C)C ZINC000029043227 561991944 /nfs/dbraw/zinc/99/19/44/561991944.db2.gz WZSAMCKWYHLLBC-IEHJGRHCSA-N -1 0 641.835 3.688 1 0 KHAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OCCC(=O)NC(=O)c3ccccc3)cc2)cc1 ZINC000029043284 561991898 /nfs/dbraw/zinc/99/18/98/561991898.db2.gz BCPYRWFJFPXIAV-UHFFFAOYSA-N -1 0 506.511 3.506 1 0 KHAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cs1)C(C)C ZINC000029043317 561991935 /nfs/dbraw/zinc/99/19/35/561991935.db2.gz WZSAMCKWYHLLBC-KQBGDMPRSA-N -1 0 641.835 3.688 1 0 KHAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(O[C@@H](O)Cc3nc(-c4ccccc4)oc3CO)cc2)cc1 ZINC000029043372 561992028 /nfs/dbraw/zinc/99/20/28/561992028.db2.gz FQNOEHYLLLQCIJ-HHHXNRCGSA-N -1 0 548.548 3.868 1 0 KHAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(O[C@H](O)Cc3nc(-c4ccccc4)oc3CO)cc2)cc1 ZINC000029043374 561992065 /nfs/dbraw/zinc/99/20/65/561992065.db2.gz FQNOEHYLLLQCIJ-MHZLTWQESA-N -1 0 548.548 3.868 1 0 KHAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc([C@@H]4CCCS4(=O)=O)ccc3N2)c1[O-] ZINC000029046329 561992870 /nfs/dbraw/zinc/99/28/70/561992870.db2.gz DYCUGDBSTQAMOO-SFHVURJKSA-N -1 0 562.695 3.534 1 0 KHAFRM CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc([C@H]4CCCS4(=O)=O)ccc3N2)c1[O-] ZINC000029046332 561992848 /nfs/dbraw/zinc/99/28/48/561992848.db2.gz DYCUGDBSTQAMOO-GOSISDBHSA-N -1 0 562.695 3.534 1 0 KHAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC3CCCCC3)nc(-c3cccs3)c1=O)N2 ZINC000029046576 561993086 /nfs/dbraw/zinc/99/30/86/561993086.db2.gz LSIRVFDLEUFENT-UHFFFAOYSA-N -1 0 577.710 3.580 1 0 KHAFRM O=C([O-])C[S@@](=O)c1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000029051035 561994373 /nfs/dbraw/zinc/99/43/73/561994373.db2.gz FKZNOEDRGOJXRY-UMSFTDKQSA-N -1 0 527.649 3.788 1 0 KHAFRM O=C([O-])C[S@](=O)c1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000029051040 561994362 /nfs/dbraw/zinc/99/43/62/561994362.db2.gz FKZNOEDRGOJXRY-UUWRZZSWSA-N -1 0 527.649 3.788 1 0 KHAFRM CCOC(=O)c1nn2c(c1C(=O)OCC)c1cc(NC(=O)c3ccccc3C(=O)[O-])c(Cl)cc1[nH]c2=O ZINC000029060781 561995802 /nfs/dbraw/zinc/99/58/02/561995802.db2.gz ZPOSVSAYNYSZOT-UHFFFAOYSA-N -1 0 526.889 3.545 1 0 KHAFRM CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2cccc(C(=O)[O-])c2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029124869 561997106 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Cc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OC[C@H]4C)CC1 ZINC000029127191 561999661 /nfs/dbraw/zinc/99/96/61/561999661.db2.gz SENBRSVWKXCECH-CYBMUJFWSA-N -1 0 568.508 3.996 1 0 KHAFRM Cc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OC[C@@H]4C)CC1 ZINC000029127192 561999659 /nfs/dbraw/zinc/99/96/59/561999659.db2.gz SENBRSVWKXCECH-ZDUSSCGKSA-N -1 0 568.508 3.996 1 0 KHAFRM C[C@@H]1COc2c(N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000029127424 561999816 /nfs/dbraw/zinc/99/98/16/561999816.db2.gz RJAQXJBKKRQRDS-GFCCVEGCSA-N -1 0 512.925 3.930 1 0 KHAFRM C[C@H]1COc2c(N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000029127425 561999746 /nfs/dbraw/zinc/99/97/46/561999746.db2.gz RJAQXJBKKRQRDS-LBPRGKRZSA-N -1 0 512.925 3.930 1 0 KHAFRM Cc1cc(C)n(-c2cnn(C)c(=O)c2-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)n1 ZINC000029127604 562000083 /nfs/dbraw/zinc/00/00/83/562000083.db2.gz 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ZINC000036088425 562046142 /nfs/dbraw/zinc/04/61/42/562046142.db2.gz YAQSGZOHFMQRSK-YADHBBJMSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088428 562046166 /nfs/dbraw/zinc/04/61/66/562046166.db2.gz YAQSGZOHFMQRSK-VXKWHMMOSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088432 562046171 /nfs/dbraw/zinc/04/61/71/562046171.db2.gz YAQSGZOHFMQRSK-FGZHOGPDSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088435 562046252 /nfs/dbraw/zinc/04/62/52/562046252.db2.gz YAQSGZOHFMQRSK-FCHUYYIVSA-N -1 0 578.594 3.735 1 0 KHAFRM Cc1cc(C[C@H](NS(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O ZINC000036088655 562046430 /nfs/dbraw/zinc/04/64/30/562046430.db2.gz IZPHVZPCZWGZCZ-GOTSBHOMSA-N -1 0 559.069 3.678 1 0 KHAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088672 562046525 /nfs/dbraw/zinc/04/65/25/562046525.db2.gz JLRMKUWMFIWDPO-YADHBBJMSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088675 562046531 /nfs/dbraw/zinc/04/65/31/562046531.db2.gz JLRMKUWMFIWDPO-VXKWHMMOSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088678 562046527 /nfs/dbraw/zinc/04/65/27/562046527.db2.gz JLRMKUWMFIWDPO-FGZHOGPDSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088681 562046535 /nfs/dbraw/zinc/04/65/35/562046535.db2.gz JLRMKUWMFIWDPO-FCHUYYIVSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3C(F)(F)F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088824 562046663 /nfs/dbraw/zinc/04/66/63/562046663.db2.gz AWCWLTHIBISEME-UNMCSNQZSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccccc3C(F)(F)F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088828 562046627 /nfs/dbraw/zinc/04/66/27/562046627.db2.gz AWCWLTHIBISEME-IRLDBZIGSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3C(F)(F)F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088831 562046632 /nfs/dbraw/zinc/04/66/32/562046632.db2.gz AWCWLTHIBISEME-RBBKRZOGSA-N -1 0 578.594 3.735 1 0 KHAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccccc3C(F)(F)F)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088836 562046605 /nfs/dbraw/zinc/04/66/05/562046605.db2.gz AWCWLTHIBISEME-IFMALSPDSA-N -1 0 578.594 3.735 1 0 KHAFRM CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2O)C1 ZINC000036184889 562050523 /nfs/dbraw/zinc/05/05/23/562050523.db2.gz ITIXOXNOKVMBTE-CYBMUJFWSA-N -1 0 612.553 3.829 1 0 KHAFRM CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2O)C1 ZINC000036184890 562050516 /nfs/dbraw/zinc/05/05/16/562050516.db2.gz ITIXOXNOKVMBTE-ZDUSSCGKSA-N -1 0 612.553 3.829 1 0 KHAFRM CS(=O)(=O)c1ccc(Cn2c3c(cc(S(C)(=O)=O)cc3Br)c3c2[C@H](CC(=O)[O-])CC3)cc1 ZINC000036190391 562051101 /nfs/dbraw/zinc/05/11/01/562051101.db2.gz WTJBJWWHAGOADR-AWEZNQCLSA-N -1 0 540.457 3.764 1 0 KHAFRM CS(=O)(=O)c1ccc(Cn2c3c(cc(S(C)(=O)=O)cc3Br)c3c2[C@@H](CC(=O)[O-])CC3)cc1 ZINC000036190393 562051103 /nfs/dbraw/zinc/05/11/03/562051103.db2.gz WTJBJWWHAGOADR-CQSZACIVSA-N -1 0 540.457 3.764 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@]1(Cc2ccc(Cl)s2)Cc2ccccc2N1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000036270419 562053098 /nfs/dbraw/zinc/05/30/98/562053098.db2.gz QPWLWXWLZMDWHO-DPOKWSEZSA-N -1 0 556.031 3.676 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@]1(Cc2ccc(Cl)s2)Cc2ccccc2N1)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-] ZINC000036270420 562052996 /nfs/dbraw/zinc/05/29/96/562052996.db2.gz QPWLWXWLZMDWHO-FUMQJTLXSA-N -1 0 556.031 3.676 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@@]1(Cc2ccc(Cl)s2)Cc2ccccc2N1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-] ZINC000036270422 562053088 /nfs/dbraw/zinc/05/30/88/562053088.db2.gz QPWLWXWLZMDWHO-RPPIVITFSA-N -1 0 556.031 3.676 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@@]1(Cc2ccc(Cl)s2)Cc2ccccc2N1)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-] ZINC000036270423 562053059 /nfs/dbraw/zinc/05/30/59/562053059.db2.gz QPWLWXWLZMDWHO-UZEJHQAJSA-N -1 0 556.031 3.676 1 0 KHAFRM O=C([O-])C12CC3C[C@H](C1)C(NC(=O)C1(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)CCCC1)[C@@H](C3)C2 ZINC000036286330 581096386 /nfs/dbraw/zinc/09/63/86/581096386.db2.gz SCKUCAYPELQYOB-NAYRJMFOSA-N -1 0 520.596 3.931 1 0 KHAFRM CCCCn1c(=O)n(C/C=C/COc2ccc(C(=O)[O-])cc2)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O ZINC000036310647 562055009 /nfs/dbraw/zinc/05/50/09/562055009.db2.gz FQFAOKLTNKOROW-ZHACJKMWSA-N -1 0 541.604 3.943 1 0 KHAFRM O=C([O-])c1ccc(OCCn2c(=O)n(Cc3ccccc3)c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000036310656 562054987 /nfs/dbraw/zinc/05/49/87/562054987.db2.gz OQMIJHCSTTYUTA-UHFFFAOYSA-N -1 0 549.583 3.635 1 0 KHAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000036330299 562055524 /nfs/dbraw/zinc/05/55/24/562055524.db2.gz JRASIRPQGFDZLA-UIOOFZCWSA-N -1 0 511.578 3.670 1 0 KHAFRM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000036330726 562055913 /nfs/dbraw/zinc/05/59/13/562055913.db2.gz TVHOWGPKFURKPB-PBXXJUDPSA-N -1 0 516.683 3.522 1 0 KHAFRM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000036330729 562055944 /nfs/dbraw/zinc/05/59/44/562055944.db2.gz TVHOWGPKFURKPB-OPHFCASCSA-N -1 0 516.683 3.522 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(=O)[O-] ZINC000036330732 562055919 /nfs/dbraw/zinc/05/59/19/562055919.db2.gz LJKQMNYDVFBLQL-ZEQRLZLVSA-N -1 0 516.683 3.522 1 0 KHAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000036330738 562055931 /nfs/dbraw/zinc/05/59/31/562055931.db2.gz WEBJAXHFHAPDEQ-SVBPBHIXSA-N -1 0 550.700 3.718 1 0 KHAFRM O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4ccc(Br)cc4)c3)cc21 ZINC000036338506 562056992 /nfs/dbraw/zinc/05/69/92/562056992.db2.gz YXQUINDTMKETDY-UHFFFAOYSA-N -1 0 580.317 3.668 1 0 KHAFRM O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4ccc(C(F)(F)F)cc4)c3)cc21 ZINC000036338511 562057023 /nfs/dbraw/zinc/05/70/23/562057023.db2.gz PIWNUFICDRESOQ-UHFFFAOYSA-N -1 0 569.418 3.924 1 0 KHAFRM O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CC[C@H](NS(=O)(=O)[O-])C3)ccc2c1 ZINC000036351883 562059374 /nfs/dbraw/zinc/05/93/74/562059374.db2.gz VGOMLVGCPHXARJ-IBGZPJMESA-N -1 0 508.522 3.796 1 0 KHAFRM O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CC[C@@H](NS(=O)(=O)[O-])C3)ccc2c1 ZINC000036351884 562059274 /nfs/dbraw/zinc/05/92/74/562059274.db2.gz VGOMLVGCPHXARJ-LJQANCHMSA-N -1 0 508.522 3.796 1 0 KHAFRM CCn1c(C)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c(=O)n(CC)c1=O ZINC000038457154 562071995 /nfs/dbraw/zinc/07/19/95/562071995.db2.gz KQFDKGNSBOLNCZ-IBGZPJMESA-N -1 0 518.397 3.758 1 0 KHAFRM COc1cc(CCC2=C(C(=O)[O-])C[C@@]3(O)[C@@](C)(CC[C@@]4(O)C(C)(C)CCC(=O)[C@@]43C)O2)cc(OC)c1OC ZINC000038914038 562072552 /nfs/dbraw/zinc/07/25/52/562072552.db2.gz YJIWHETXULTBMG-VJLHXPKFSA-N -1 0 532.630 3.814 1 0 KHAFRM CN(C)c1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1 ZINC000040394654 562074250 /nfs/dbraw/zinc/07/42/50/562074250.db2.gz OMKBGTGZWMRDAZ-OAQYLSRUSA-N -1 0 523.677 3.860 1 0 KHAFRM CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[O-] ZINC000040411753 562075362 /nfs/dbraw/zinc/07/53/62/562075362.db2.gz VOYLVYZXDUOZSD-DQEYMECFSA-N -1 0 500.595 3.731 1 0 KHAFRM CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)[O-] ZINC000040411756 562075309 /nfs/dbraw/zinc/07/53/09/562075309.db2.gz VOYLVYZXDUOZSD-RPBOFIJWSA-N -1 0 500.595 3.731 1 0 KHAFRM CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)C(C)(C)C)CC3)s2)cc1 ZINC000040430011 562076680 /nfs/dbraw/zinc/07/66/80/562076680.db2.gz GJYPNXKSSHMLOC-OAQYLSRUSA-N -1 0 508.662 3.830 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000040568251 562078192 /nfs/dbraw/zinc/07/81/92/562078192.db2.gz GWXUHSQQMMFIEF-GOTSBHOMSA-N -1 0 507.587 3.765 1 0 KHAFRM C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)CCC(=O)[O-])C(=O)CCl ZINC000040689006 562078978 /nfs/dbraw/zinc/07/89/78/562078978.db2.gz RYQHJJAIVWOEGT-KNGHTYOQSA-N -1 0 510.986 3.558 1 0 KHAFRM O=C([O-])c1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000040845175 562080159 /nfs/dbraw/zinc/08/01/59/562080159.db2.gz CABDBAYRKOVKOQ-UHFFFAOYSA-N -1 0 508.478 3.626 1 0 KHAFRM COc1ccc([C@@H](CC(=O)CCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000040866103 562081411 /nfs/dbraw/zinc/08/14/11/562081411.db2.gz PYZYHICKUZAODG-GJZUVCINSA-N -1 0 518.570 3.592 1 0 KHAFRM COc1ccc([C@H](CC(=O)CCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000040866105 562081460 /nfs/dbraw/zinc/08/14/60/562081460.db2.gz PYZYHICKUZAODG-NVQXNPDNSA-N -1 0 518.570 3.592 1 0 KHAFRM CCCOC(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OCC)cc3)s2)C(=O)[O-])CC1 ZINC000040875039 562081964 /nfs/dbraw/zinc/08/19/64/562081964.db2.gz IGDBRYFDPWPBAI-OAQYLSRUSA-N -1 0 510.634 3.804 1 0 KHAFRM CC(C)(C)OC(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(F)c(F)c3)o2)C(=O)[O-])CC1 ZINC000040875563 562082146 /nfs/dbraw/zinc/08/21/46/562082146.db2.gz XQOVFBQWUQFERK-LJQANCHMSA-N -1 0 500.520 3.603 1 0 KHAFRM CN(C)c1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC000040878191 562082474 /nfs/dbraw/zinc/08/24/74/562082474.db2.gz FQWZTIDTWFNEQD-HSZRJFAPSA-N -1 0 517.648 3.798 1 0 KHAFRM CC[C@@H](C)[C@H](NC(=O)c1cc(N)cc(Cc2ccc(O)cc2)c1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC000040891980 562082713 /nfs/dbraw/zinc/08/27/13/562082713.db2.gz ICAOSNPQNLVFDW-CLYVBNDRSA-N -1 0 503.599 3.653 1 0 KHAFRM O=C(COc1cccc2[nH]cc(Sc3nc[nH]n3)c21)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000040919071 562084440 /nfs/dbraw/zinc/08/44/40/562084440.db2.gz KLRKHLRICGBKLB-UHFFFAOYSA-N -1 0 504.402 3.689 1 0 KHAFRM Cc1nc(-c2cccc(S(C)(=O)=O)c2)sc1C(=O)N(CC(=O)[O-])Cc1nc2ccccc2s1 ZINC000040933650 562084588 /nfs/dbraw/zinc/08/45/88/562084588.db2.gz LHZDJTWXTWWEFF-UHFFFAOYSA-N -1 0 501.611 3.859 1 0 KHAFRM C/C=C\C=C\[C@@H]1O[C@](O)([C@@H](C)C(=O)NC/C=C/C=C(\C)[C@H](O)[C@H](C)[C@@H]2C[C@H](O)[C@H](/C=C/C=C/C=C/C(=O)[O-])O2)C[C@H](O)C1(C)C ZINC000042804565 562088881 /nfs/dbraw/zinc/08/88/81/562088881.db2.gz WZDFAVLMGCBSJM-OMZCKNORSA-N -1 0 629.791 3.507 1 0 KHAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)nc1C(=O)NCc1cccc(F)c1 ZINC000042878629 581095371 /nfs/dbraw/zinc/09/53/71/581095371.db2.gz XDMRQTPIYFPGQV-FGZHOGPDSA-N -1 0 515.557 3.858 1 0 KHAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000043021692 562644931 /nfs/dbraw/zinc/64/49/31/562644931.db2.gz IAGRSHQIDZCISG-UHFFFAOYSA-N -1 0 521.667 3.847 1 0 KHAFRM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1 ZINC000043021950 562644940 /nfs/dbraw/zinc/64/49/40/562644940.db2.gz ZLLQGEBQRDGKHV-VWLOTQADSA-N -1 0 573.650 3.625 1 0 KHAFRM C[C@@](Cc1ccc(Oc2cc(N3CCN(C(=O)c4ccco4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000043069589 562645476 /nfs/dbraw/zinc/64/54/76/562645476.db2.gz VXWUROHCGULBAW-LJAQVGFWSA-N -1 0 543.580 3.871 1 0 KHAFRM CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cccc(-c3ccccc3)n2)CC1 ZINC000043122216 562646234 /nfs/dbraw/zinc/64/62/34/562646234.db2.gz NQEFFJFZHJLVBP-DEOSSOPVSA-N -1 0 524.618 3.573 1 0 KHAFRM C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(OC(C)(C)C(=O)[O-])c1 ZINC000043199704 562646870 /nfs/dbraw/zinc/64/68/70/562646870.db2.gz OHGJDYIYXOTBRB-CQSZACIVSA-N -1 0 504.502 3.986 1 0 KHAFRM O=C([O-])CNC(=O)c1nc(-c2cn(Cc3ccccc3)nn2)c2s[nH]c(-c3ccc(Cl)cc3)c-2c1=O ZINC000043206174 562647069 /nfs/dbraw/zinc/64/70/69/562647069.db2.gz FIEUUKRRDHMLDO-UHFFFAOYSA-N -1 0 520.958 3.839 1 0 KHAFRM COc1ccc(Cl)cc1C(=O)NCCc1ccc(OC)c(S(=O)(=O)[N-]C(=S)NC2CCCCC2)c1 ZINC000043322565 562647677 /nfs/dbraw/zinc/64/76/77/562647677.db2.gz YXVLKQFJWHXYAU-UHFFFAOYSA-N -1 0 540.107 3.815 1 0 KHAFRM C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@H](O)[C@H](C)[C@@H]2C[C@H](O)[C@H](/C=C/C=C/C=C/C(=O)[O-])O2)C[C@H](O)C1(C)C ZINC000043490928 562648684 /nfs/dbraw/zinc/64/86/84/562648684.db2.gz WZDFAVLMGCBSJM-UGOGBMPQSA-N -1 0 629.791 3.507 1 0 KHAFRM O=C([O-])c1ccc(OCCn2c(=O)n(-c3ccccc3)c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043523917 562648905 /nfs/dbraw/zinc/64/89/05/562648905.db2.gz NIPDORAGKIKKDQ-UHFFFAOYSA-N -1 0 535.556 3.576 1 0 KHAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC23CCC(O)CC3)cc1 ZINC000043544072 562649597 /nfs/dbraw/zinc/64/95/97/562649597.db2.gz LGNOGMACFUGGCJ-UHFFFAOYSA-N -1 0 537.432 3.858 1 0 KHAFRM CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C ZINC000043693224 562650814 /nfs/dbraw/zinc/65/08/14/562650814.db2.gz XVPLXOXPSDLWJA-AUHTVUCRSA-N -1 0 592.601 3.811 1 0 KHAFRM CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C ZINC000043693228 562650804 /nfs/dbraw/zinc/65/08/04/562650804.db2.gz XVPLXOXPSDLWJA-NYBSAPDNSA-N -1 0 592.601 3.811 1 0 KHAFRM CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C ZINC000043693230 562650794 /nfs/dbraw/zinc/65/07/94/562650794.db2.gz XVPLXOXPSDLWJA-CPPKFOPJSA-N -1 0 592.601 3.811 1 0 KHAFRM CC[C@H](C)C[C@H](C)/C=C(/C=C(C)/C=C/C=C/C=C/C=C/C=C/c1cc2c(c(=O)o1)[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O2)C(=O)[O-] ZINC000043815456 562650914 /nfs/dbraw/zinc/65/09/14/562650914.db2.gz GDSQFNQIWJCATH-TXTCTHCLSA-N -1 0 612.716 3.777 1 0 KHAFRM O=C([O-])[C@@H]1CC=CC(=O)[C@@H]1C(=O)c1ccc(C(=O)O[C@H]2CCCCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000043938876 562651251 /nfs/dbraw/zinc/65/12/51/562651251.db2.gz FWUMVMMPGUQBBP-KZKYLIHBSA-N -1 0 535.549 3.897 1 0 KHAFRM O=C([O-])[C@@H]1CC=CC(=O)[C@H]1C(=O)c1ccc(C(=O)O[C@H]2CCCCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000043938878 562651305 /nfs/dbraw/zinc/65/13/05/562651305.db2.gz FWUMVMMPGUQBBP-ZLSIYFNSSA-N -1 0 535.549 3.897 1 0 KHAFRM O=C([O-])c1ccc(OCCn2c(=O)n(Cc3ccccc3)c(=O)n(CC(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000044052633 562651841 /nfs/dbraw/zinc/65/18/41/562651841.db2.gz WJFUJKZYTROQKO-UHFFFAOYSA-N -1 0 563.610 3.829 1 0 KHAFRM C[C@@]12CC[C@H]([C@]3(C(=O)[O-])C[C@H](O)[C@H](O)C(C)(C)O3)[C@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@@H]3CC[C@]12C ZINC000044070036 562652177 /nfs/dbraw/zinc/65/21/77/562652177.db2.gz UVHCBPZJADNRKK-FQPCDPSRSA-N -1 0 522.723 3.749 1 0 KHAFRM O=C(Cc1cc(Nc2ncnc3cc(OCCC[N@H+]4CCC[C@@H]4COP(=O)([O-])[O-])ccc32)n[nH]1)Nc1cccc(F)c1F ZINC000044157005 562652502 /nfs/dbraw/zinc/65/25/02/562652502.db2.gz GXSXPSBYPTZSOR-GOSISDBHSA-N -1 0 617.550 3.899 1 0 KHAFRM CC(C)c1c(S(=O)(=O)NN2CCOCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000044307967 562654180 /nfs/dbraw/zinc/65/41/80/562654180.db2.gz JTEYLTFAZGWIKD-JWQCQUIFSA-N -1 0 603.713 3.587 1 0 KHAFRM CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CC[NH+](CC(=O)[O-])CC4)cc3)ncc2c1=O ZINC000044351635 562654778 /nfs/dbraw/zinc/65/47/78/562654778.db2.gz DZGGGZSDTNTLQN-UHFFFAOYSA-N -1 0 568.634 3.568 1 0 KHAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1OC ZINC000044388366 562656354 /nfs/dbraw/zinc/65/63/54/562656354.db2.gz OXUYNOUZQXZGFK-OAQYLSRUSA-N -1 0 540.660 3.811 1 0 KHAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)N4CCOCC4)cc3)cc2)cc1)C(=O)[O-] ZINC000044404675 562656489 /nfs/dbraw/zinc/65/64/89/562656489.db2.gz YFQHRGYDUCTIQN-HHHXNRCGSA-N -1 0 552.649 3.793 1 0 KHAFRM CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC4CCOCC4)CC3)s2)cc1 ZINC000044405224 562656605 /nfs/dbraw/zinc/65/66/05/562656605.db2.gz RTBMQALBDMCUCU-HSZRJFAPSA-N -1 0 552.671 3.573 1 0 KHAFRM CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(S(=O)(=O)Cc4ccccc4)CC3)s2)cc1 ZINC000044406165 562656808 /nfs/dbraw/zinc/65/68/08/562656808.db2.gz XXUQGCVNBYAYPI-RUZDIDTESA-N -1 0 578.734 3.787 1 0 KHAFRM COc1c(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000044417135 562657068 /nfs/dbraw/zinc/65/70/68/562657068.db2.gz WRHSMSIVBMFVIQ-GFCCVEGCSA-N -1 0 570.559 3.917 1 0 KHAFRM O=C([O-])[C@@]1(N(CCn2cnnn2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000044430503 562657570 /nfs/dbraw/zinc/65/75/70/562657570.db2.gz NGXZKHUADRVMLP-UKILVPOCSA-N -1 0 524.002 3.695 1 0 KHAFRM CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc([N-]S(=O)(=O)c2nc(C(C)C)cs2)cc1 ZINC000044430619 562657621 /nfs/dbraw/zinc/65/76/21/562657621.db2.gz QUIQWGISSRRKQP-NKKJXINNSA-N -1 0 590.768 3.999 1 0 KHAFRM O=C([O-])[C@@]1(N(CCN2CCCC2=O)S(=O)(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C[C@H]1c1ccccc1 ZINC000044431629 562657912 /nfs/dbraw/zinc/65/79/12/562657912.db2.gz HLLHQZBJJLSOLV-RPLLCQBOSA-N -1 0 544.073 3.609 1 0 KHAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)COc4ccc(C(C)(C)C)cc4)CC3)cc21 ZINC000045257055 562659949 /nfs/dbraw/zinc/65/99/49/562659949.db2.gz IAOBKBQSIOMNSA-UHFFFAOYSA-N -1 0 509.578 3.884 1 0 KHAFRM COc1cc([C@H]2SCC(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(OC)c1OC ZINC000045299912 562660413 /nfs/dbraw/zinc/66/04/13/562660413.db2.gz VGCYBZDWNDENOW-HSZRJFAPSA-N -1 0 501.586 3.687 1 0 KHAFRM COc1cc([C@@H]2SCC(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(OC)c1OC ZINC000045299915 562660449 /nfs/dbraw/zinc/66/04/49/562660449.db2.gz VGCYBZDWNDENOW-QHCPKHFHSA-N -1 0 501.586 3.687 1 0 KHAFRM CC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](CC(C)(C)C)C(=O)NC1CCCCC1)[C@@H](CCC(=O)[O-])C(=O)N2 ZINC000045358347 562661972 /nfs/dbraw/zinc/66/19/72/562661972.db2.gz LRYDKRDIRSDKAP-VXKWHMMOSA-N -1 0 514.623 3.526 1 0 KHAFRM CC(=O)Nc1ccc2c(c1)C(=O)N([C@H](CC(C)(C)C)C(=O)NC1CCCCC1)[C@@H](CCC(=O)[O-])C(=O)N2 ZINC000045358349 562661959 /nfs/dbraw/zinc/66/19/59/562661959.db2.gz LRYDKRDIRSDKAP-FCHUYYIVSA-N -1 0 514.623 3.526 1 0 KHAFRM CC(C)c1c(C(=O)NCc2ccccc2)nc(-c2ccc(F)c(F)c2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000045498423 562662787 /nfs/dbraw/zinc/66/27/87/562662787.db2.gz VBYMTGCWOPVZIK-WOJBJXKFSA-N -1 0 515.557 3.858 1 0 KHAFRM C[C@H]1CC(NC(=O)CCc2nc(-c3ccc(O)cn3)no2)=C(C(=O)[O-])C[C@H]1c1cc(F)cc(F)c1F ZINC000049047573 562663717 /nfs/dbraw/zinc/66/37/17/562663717.db2.gz XYHQTMKHFHBCRY-SMDDNHRTSA-N -1 0 502.449 3.856 1 0 KHAFRM COC(=O)c1cc(NC(=O)[C@@](C)([NH3+])COP(=O)([O-])[O-])ccc1OCCc1ccc(-c2ccccc2)cc1 ZINC000049068868 562664046 /nfs/dbraw/zinc/66/40/46/562664046.db2.gz GUDHOVSDMARPGH-SANMLTNESA-N -1 0 528.498 3.527 1 0 KHAFRM O=C([O-])COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000049071311 562664121 /nfs/dbraw/zinc/66/41/21/562664121.db2.gz GMFVVJTWDJHAJG-ZDZYTSRMSA-N -1 0 512.562 3.921 1 0 KHAFRM O=C([O-])COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)c1 ZINC000049071313 562664122 /nfs/dbraw/zinc/66/41/22/562664122.db2.gz GMFVVJTWDJHAJG-CJIXEESDSA-N -1 0 512.562 3.921 1 0 KHAFRM C[C@@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)[O-])CC[C@H](c2cc(F)c(F)c(F)c2)C1 ZINC000049113496 562664653 /nfs/dbraw/zinc/66/46/53/562664653.db2.gz OGDYNLKCZDFQKK-KBPBESRZSA-N -1 0 500.477 3.991 1 0 KHAFRM C[C@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)[O-])CC[C@H](c2cc(F)c(F)c(F)c2)C1 ZINC000049113498 562664631 /nfs/dbraw/zinc/66/46/31/562664631.db2.gz OGDYNLKCZDFQKK-KGLIPLIRSA-N -1 0 500.477 3.991 1 0 KHAFRM C[C@@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)[O-])CC[C@@H](c2cc(F)c(F)c(F)c2)C1 ZINC000049113500 562664650 /nfs/dbraw/zinc/66/46/50/562664650.db2.gz OGDYNLKCZDFQKK-UONOGXRCSA-N -1 0 500.477 3.991 1 0 KHAFRM C[C@H](Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)[O-])CC[C@@H](c2cc(F)c(F)c(F)c2)C1 ZINC000049113502 562664670 /nfs/dbraw/zinc/66/46/70/562664670.db2.gz OGDYNLKCZDFQKK-ZIAGYGMSSA-N -1 0 500.477 3.991 1 0 KHAFRM Cc1cc(S(=O)(=O)NCCCC(=O)[O-])ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 ZINC000049124616 562664760 /nfs/dbraw/zinc/66/47/60/562664760.db2.gz SJXBGLPWBJFAFY-UHFFFAOYSA-N -1 0 529.663 3.730 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(CC(=O)N4CCCC4)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049670119 562668217 /nfs/dbraw/zinc/66/82/17/562668217.db2.gz VRVNIRQVXWYZBB-LJAQVGFWSA-N -1 0 705.857 3.807 1 0 KHAFRM CCc1cc2c(nc(NC(=O)NCCC(=O)[O-])nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cn3)CC2)s1 ZINC000049678581 562668547 /nfs/dbraw/zinc/66/85/47/562668547.db2.gz XYYMRZRNYVJXGO-UHFFFAOYSA-N -1 0 559.652 3.874 1 0 KHAFRM CC(=O)NCCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc32)NC(=O)[C@H](CCCCCC(=O)[O-])NC1=O ZINC000049679092 562668730 /nfs/dbraw/zinc/66/87/30/562668730.db2.gz DQIMPFMQPBIJFZ-MCEBTLFFSA-N -1 0 679.859 3.503 1 0 KHAFRM CC1(C)NC(=O)C[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc32)NC(=O)[C@H](CCCCCC(=O)[O-])NC1=O ZINC000049679160 562668779 /nfs/dbraw/zinc/66/87/79/562668779.db2.gz XWFVREBOAYEGTM-JOYXZSCHSA-N -1 0 653.780 3.894 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(-c3ccccc3)cc(N3CCC(C(=O)N(CC)CC)CC3)n2)CC1 ZINC000049679179 562668774 /nfs/dbraw/zinc/66/87/74/562668774.db2.gz WPUVIRLKGYXAFW-NDEPHWFRSA-N -1 0 693.846 3.663 1 0 KHAFRM Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])ccc1OCCCCNc1ccccn1 ZINC000049679349 562668820 /nfs/dbraw/zinc/66/88/20/562668820.db2.gz AEFPUSNNPXBSKD-NRFANRHFSA-N -1 0 552.575 3.928 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(CCOC)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049679655 562668949 /nfs/dbraw/zinc/66/89/49/562668949.db2.gz LYGFRFIQOAREQT-MHZLTWQESA-N -1 0 652.793 3.831 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2nc(-c3ccccc3)cc(N3CCC(CCOC)CC3)n2)CC1 ZINC000049694434 562669309 /nfs/dbraw/zinc/66/93/09/562669309.db2.gz OHYKHEATQMYTHQ-MHZLTWQESA-N -1 0 652.793 3.831 1 0 KHAFRM Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])ccc1OCCCNc1ccccn1 ZINC000049694449 562669372 /nfs/dbraw/zinc/66/93/72/562669372.db2.gz ZKGCNKVDPWEGNL-FQEVSTJZSA-N -1 0 538.548 3.538 1 0 KHAFRM CCc1cc2c(nc(N3C[C@@H](O)C[C@H]3C(=O)[O-])nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000049694458 562669361 /nfs/dbraw/zinc/66/93/61/562669361.db2.gz BUKQVIJBXGVITH-DHLKQENFSA-N -1 0 557.676 3.907 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049694476 562669358 /nfs/dbraw/zinc/66/93/58/562669358.db2.gz PXIRQSBPQYAWRK-NDEPHWFRSA-N -1 0 693.846 3.663 1 0 in-vivo KHAFRM CCN(CC)C(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000049694900 562669923 /nfs/dbraw/zinc/66/99/23/562669923.db2.gz SHRRKEWFMRTIMY-SETSBSEESA-N -1 0 593.585 3.706 1 0 KHAFRM CCN(CC)C(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000049694901 562669898 /nfs/dbraw/zinc/66/98/98/562669898.db2.gz SHRRKEWFMRTIMY-QCDSWUKFSA-N -1 0 593.585 3.706 1 0 KHAFRM CCN(CC)C(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000049694902 562669928 /nfs/dbraw/zinc/66/99/28/562669928.db2.gz SHRRKEWFMRTIMY-FYBSXPHGSA-N -1 0 593.585 3.706 1 0 KHAFRM CCN(CC)C(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000049694903 562669948 /nfs/dbraw/zinc/66/99/48/562669948.db2.gz SHRRKEWFMRTIMY-RNAHPLFWSA-N -1 0 593.585 3.706 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049695159 562670220 /nfs/dbraw/zinc/67/02/20/562670220.db2.gz BOUNEKAVTUBALA-VWLOTQADSA-N -1 0 608.740 3.814 1 0 KHAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC(=O)N6CCCC6)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1OCC(=O)N1CCCC1 ZINC000049695413 562670573 /nfs/dbraw/zinc/67/05/73/562670573.db2.gz XQXXUJNIOAASJR-RYWJPUDZSA-N -1 0 702.713 3.756 1 0 KHAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)N6CCCC6)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1OCC(=O)N1CCCC1 ZINC000049695414 562670539 /nfs/dbraw/zinc/67/05/39/562670539.db2.gz XQXXUJNIOAASJR-ARPOTICCSA-N -1 0 702.713 3.756 1 0 KHAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC(=O)N6CCCC6)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)N1CCCC1 ZINC000049695415 562670529 /nfs/dbraw/zinc/67/05/29/562670529.db2.gz XQXXUJNIOAASJR-JRYPVQGPSA-N -1 0 702.713 3.756 1 0 KHAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)N6CCCC6)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)N1CCCC1 ZINC000049695416 562670546 /nfs/dbraw/zinc/67/05/46/562670546.db2.gz XQXXUJNIOAASJR-GERKYKROSA-N -1 0 702.713 3.756 1 0 KHAFRM CCOC(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(OCC(=O)OCC)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000049695533 562670765 /nfs/dbraw/zinc/67/07/65/562670765.db2.gz IYRNXHBVBTXAEN-XYFQYJLHSA-N -1 0 652.605 3.637 1 0 KHAFRM CCOC(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(OCC(=O)OCC)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000049695534 562670726 /nfs/dbraw/zinc/67/07/26/562670726.db2.gz IYRNXHBVBTXAEN-IEWVHIKDSA-N -1 0 652.605 3.637 1 0 KHAFRM CCOC(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(OCC(=O)OCC)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000049695535 562670687 /nfs/dbraw/zinc/67/06/87/562670687.db2.gz IYRNXHBVBTXAEN-HVIPQOSHSA-N -1 0 652.605 3.637 1 0 KHAFRM CCOC(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(OCC(=O)OCC)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000049695536 562670738 /nfs/dbraw/zinc/67/07/38/562670738.db2.gz IYRNXHBVBTXAEN-DICHSLLOSA-N -1 0 652.605 3.637 1 0 KHAFRM COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)NCCC(=O)[O-])cc3)sc2n1 ZINC000049708753 562671041 /nfs/dbraw/zinc/67/10/41/562671041.db2.gz ZVHJDDHGLAAUHM-SFHVURJKSA-N -1 0 532.644 3.756 1 0 KHAFRM COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)NCCC(=O)[O-])cc3)sc2n1 ZINC000049708756 562671062 /nfs/dbraw/zinc/67/10/62/562671062.db2.gz ZVHJDDHGLAAUHM-GOSISDBHSA-N -1 0 532.644 3.756 1 0 KHAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CCN(C(=O)C(F)(F)F)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049710447 562671705 /nfs/dbraw/zinc/67/17/05/562671705.db2.gz XRMQMVROTXYMCV-VWLOTQADSA-N -1 0 691.704 3.725 1 0 KHAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049711070 562671912 /nfs/dbraw/zinc/67/19/12/562671912.db2.gz NZVTUCZSNXXSTO-MHZLTWQESA-N -1 0 667.760 3.792 1 0 KHAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)COc4ccc(Cl)cc4Cl)CC3)cc21 ZINC000049711197 562671977 /nfs/dbraw/zinc/67/19/77/562671977.db2.gz SRWJUZVIQZQFEQ-UHFFFAOYSA-N -1 0 522.360 3.893 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CCN(C(=O)OC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049711220 562672014 /nfs/dbraw/zinc/67/20/14/562672014.db2.gz SFHHXILTUJKLCV-MHZLTWQESA-N -1 0 667.760 3.792 1 0 KHAFRM CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 ZINC000049745639 562674033 /nfs/dbraw/zinc/67/40/33/562674033.db2.gz INUNVRQKIURVNA-VWLOTQADSA-N -1 0 597.713 3.631 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@@H](OCC(=O)N(CC)CC)C3)cc(-c3ccccc3)n2)CC1 ZINC000049745662 562673989 /nfs/dbraw/zinc/67/39/89/562673989.db2.gz BGINHWJOXRVALY-IHLOFXLRSA-N -1 0 708.857 3.647 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(OC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049745739 562674076 /nfs/dbraw/zinc/67/40/76/562674076.db2.gz VHYZMNHWCOPWCS-MHZLTWQESA-N -1 0 623.751 3.798 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(C(=O)N4CCCC4)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049746076 562674236 /nfs/dbraw/zinc/67/42/36/562674236.db2.gz CWERVTOUFBNKMQ-LJAQVGFWSA-N -1 0 691.830 3.521 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC[C@H](CNC(C)=O)C3)cc(-c3ccccc3)n2)CC1 ZINC000049746181 562674280 /nfs/dbraw/zinc/67/42/80/562674280.db2.gz HIIZJKJJWKJGJY-UHSQPCAPSA-N -1 0 664.804 3.535 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC[C@@H](CNC(C)=O)C3)cc(-c3ccccc3)n2)CC1 ZINC000049746183 562674300 /nfs/dbraw/zinc/67/43/00/562674300.db2.gz HIIZJKJJWKJGJY-WNJJXGMVSA-N -1 0 664.804 3.535 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@H](COC)C3)cc(-c3ccccc3)n2)CC1 ZINC000049746189 562674288 /nfs/dbraw/zinc/67/42/88/562674288.db2.gz CWDIMLKYILDHMH-RPLLCQBOSA-N -1 0 623.751 3.656 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@H](COC)C3)cc(-c3ccccc3)n2)CC1 ZINC000049746191 562674281 /nfs/dbraw/zinc/67/42/81/562674281.db2.gz CWDIMLKYILDHMH-IGKIAQTJSA-N -1 0 623.751 3.656 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@H](C(=O)N4CCCC4)C3)cc(-c3ccccc3)n2)CC1 ZINC000049746194 562674282 /nfs/dbraw/zinc/67/42/82/562674282.db2.gz LPQOHXBXVPFPFO-YTMVLYRLSA-N -1 0 676.815 3.632 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C(=O)NC(C)C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049746458 562674406 /nfs/dbraw/zinc/67/44/06/562674406.db2.gz MFZAHWNPAKRZPC-LJAQVGFWSA-N -1 0 678.831 3.924 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(CCCOC)cc(-c3ccccc3)n2)CC1 ZINC000049746582 562674490 /nfs/dbraw/zinc/67/44/90/562674490.db2.gz RQAFRAURYVRUSW-VWLOTQADSA-N -1 0 582.698 3.762 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CCN(C(C)=O)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049746585 562674504 /nfs/dbraw/zinc/67/45/04/562674504.db2.gz BOUQZYBPLWILAN-LJAQVGFWSA-N -1 0 665.788 3.820 1 0 KHAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(-c2cn(CC(=O)Nc3ccc(N4CCOCC4)cc3)nn2)c1-c1ccccc1 ZINC000049746874 562674619 /nfs/dbraw/zinc/67/46/19/562674619.db2.gz WIYPLECRCPHRLR-UHFFFAOYSA-N -1 0 552.591 3.983 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC(=O)N3CCCC3)cc(-c3ccccc3)n2)CC1 ZINC000049756057 562674797 /nfs/dbraw/zinc/67/47/97/562674797.db2.gz DJWUDYYFICUVCK-VWLOTQADSA-N -1 0 623.707 3.777 1 0 KHAFRM C[C@H]1C[C@H](C[N-]S(=O)(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F ZINC000049756319 562674931 /nfs/dbraw/zinc/67/49/31/562674931.db2.gz PAKGZTFXDAABCL-UONOGXRCSA-N -1 0 593.042 3.540 1 0 KHAFRM C[C@H]1C[C@@H](C[N-]S(=O)(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F ZINC000049756321 562674927 /nfs/dbraw/zinc/67/49/27/562674927.db2.gz PAKGZTFXDAABCL-KBPBESRZSA-N -1 0 593.042 3.540 1 0 KHAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC3CCOCC3)cc(-c3ccccc3)n2)CC1 ZINC000049756391 562674979 /nfs/dbraw/zinc/67/49/79/562674979.db2.gz QMNYFMFGUGKYDE-SANMLTNESA-N -1 0 610.708 3.598 1 0 KHAFRM CCOc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)nc(-c2ccccc2)c1 ZINC000049756395 562675004 /nfs/dbraw/zinc/67/50/04/562675004.db2.gz HDHQXYDXBKLVKQ-VWLOTQADSA-N -1 0 574.634 3.592 1 0 KHAFRM CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC(=O)N3CCC(OCC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049756401 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O=C([O-])CC[C@H]1C[C@@H]2[C@@H](CC[C@@]3(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c4c(F)ccc(F)c4OC[C@@H]23)NS1(=O)=O ZINC000049775362 562679010 /nfs/dbraw/zinc/67/90/10/562679010.db2.gz QXXCGCCBHKDCJH-AJFAOKQMSA-N -1 0 609.591 3.997 1 0 KHAFRM O=C([O-])CC[C@@H]1C[C@@H]2[C@@H](CC[C@@]3(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c4c(F)ccc(F)c4OC[C@@H]23)NS1(=O)=O ZINC000049775363 562679019 /nfs/dbraw/zinc/67/90/19/562679019.db2.gz QXXCGCCBHKDCJH-FDVXWRHYSA-N -1 0 609.591 3.997 1 0 KHAFRM O=C([O-])C[C@H]1C[C@@H]2[C@@H](CC[C@@]3(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c4c(F)ccc(F)c4OC[C@@H]23)NS1(=O)=O ZINC000049777025 562679523 /nfs/dbraw/zinc/67/95/23/562679523.db2.gz DJSHMXPDMDIRQY-BDJCAPCNSA-N -1 0 595.564 3.606 1 0 KHAFRM O=C([O-])C[C@@H]1C[C@@H]2[C@@H](CC[C@@]3(S(=O)(=O)c4ccc(C(F)(F)F)cc4)c4c(F)ccc(F)c4OC[C@@H]23)NS1(=O)=O ZINC000049777026 562679528 /nfs/dbraw/zinc/67/95/28/562679528.db2.gz DJSHMXPDMDIRQY-SOHUWHGYSA-N -1 0 595.564 3.606 1 0 KHAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000049777445 562680047 /nfs/dbraw/zinc/68/00/47/562680047.db2.gz QFVGQPTYFXZNMY-YPKYBTACSA-N -1 0 609.679 3.769 1 0 KHAFRM CN(C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000049778025 562680799 /nfs/dbraw/zinc/68/07/99/562680799.db2.gz UNAXFFBDFIKXDV-RTOKGZNSSA-N -1 0 639.705 3.817 1 0 KHAFRM COc1cc2c(cc1OCCC[N@@H+]1CCC[C@@H]1COP(=O)([O-])[O-])ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000049780068 562681322 /nfs/dbraw/zinc/68/13/22/562681322.db2.gz VFSDDMANLYSYLE-GOSISDBHSA-N -1 0 647.576 3.907 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000049780254 562681524 /nfs/dbraw/zinc/68/15/24/562681524.db2.gz YPLUCUMNXGESID-JBLUHUBFSA-N -1 0 605.691 3.673 1 0 KHAFRM CC(C)(C)Oc1ccc(C[C@H](NC(=O)c2coc(-c3ccccc3)n2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000049780262 562681548 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QZXJLSBLISAQFO-NJAHZRMTSA-N -1 0 554.624 3.936 1 0 KHAFRM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n31)c1ccccc1[C@@H](OC)C2 ZINC000049784192 562683477 /nfs/dbraw/zinc/68/34/77/562683477.db2.gz QZXJLSBLISAQFO-OHZONQHSSA-N -1 0 554.624 3.936 1 0 KHAFRM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n31)c1ccccc1[C@@H](OC)C2 ZINC000049784193 562683526 /nfs/dbraw/zinc/68/35/26/562683526.db2.gz QZXJLSBLISAQFO-CNHDWDSNSA-N -1 0 554.624 3.936 1 0 KHAFRM CO[C@@H]1[C@@H](O)[C@@H](OC(N)=O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C ZINC000049784646 562683697 /nfs/dbraw/zinc/68/36/97/562683697.db2.gz AKKXFTZDFHPWAO-ONJQCEQUSA-N -1 0 612.632 3.627 1 0 KHAFRM C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)[O-] ZINC000049785986 562684215 /nfs/dbraw/zinc/68/42/15/562684215.db2.gz UBNBJPWHWRDJHQ-JOAPMODRSA-N -1 0 648.834 3.518 1 0 KHAFRM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C2=N/[O-] ZINC000049785993 562684217 /nfs/dbraw/zinc/68/42/17/562684217.db2.gz XPKUKRHQZCSDFZ-ZJRQEIMESA-N -1 0 710.777 3.626 1 0 KHAFRM CC(C)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000049792646 562684437 /nfs/dbraw/zinc/68/44/37/562684437.db2.gz SFNBBQGTWQKGDE-YKAJZYPISA-N -1 0 555.675 3.770 1 0 KHAFRM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 ZINC000049793568 562684979 /nfs/dbraw/zinc/68/49/79/562684979.db2.gz WIONWZSKKIITNQ-NKYAOSOXSA-N -1 0 524.598 3.791 1 0 KHAFRM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 ZINC000049793569 562684972 /nfs/dbraw/zinc/68/49/72/562684972.db2.gz WIONWZSKKIITNQ-KYRGTEIWSA-N -1 0 524.598 3.791 1 0 KHAFRM CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@H]2[C@@]4(C)CC[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]42C)[C@@H]3C1 ZINC000049833276 562687677 /nfs/dbraw/zinc/68/76/77/562687677.db2.gz NTEHKHUUGJVIBF-NWAKKCSOSA-N -1 0 646.818 3.812 1 0 KHAFRM CC(=O)O[C@@H]1[C@@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)O[C@H](C)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1OC(C)=O ZINC000049833293 562687682 /nfs/dbraw/zinc/68/76/82/562687682.db2.gz NEYRFFHYUHAXKD-JCTZYGDBSA-N -1 0 662.600 3.895 1 0 endogenous,in-man KHAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000049841068 562687986 /nfs/dbraw/zinc/68/79/86/562687986.db2.gz BHSUFIXFUOVBAB-IGICXXOISA-N -1 0 620.824 3.640 1 0 KHAFRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)N(C)C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000049841094 562688003 /nfs/dbraw/zinc/68/80/03/562688003.db2.gz VZFFDLWTNZFWNH-RCYYAQNOSA-N -1 0 643.851 3.790 1 0 KHAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000049850466 562688691 /nfs/dbraw/zinc/68/86/91/562688691.db2.gz SHSTYRBKXWDVCB-CWVWMCCNSA-N -1 0 634.851 3.886 1 0 KHAFRM O=S(=O)([N-]c1cc(Br)ccc1OCCN1CCOCC1)c1ccc(Br)cc1 ZINC000049872041 562689730 /nfs/dbraw/zinc/68/97/30/562689730.db2.gz OJKOIKMWUWLLHV-UHFFFAOYSA-N -1 0 520.243 3.723 1 0 KHAFRM CCOC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(CNc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1 ZINC000049872316 562689958 /nfs/dbraw/zinc/68/99/58/562689958.db2.gz BHISHXRBCSATHG-QFIPXVFZSA-N -1 0 542.596 3.600 1 0 KHAFRM COc1cc(/C=C\c2ccc(OC)c(NC(=O)[C@@H]([NH3+])Cc3ccc(OP(=O)([O-])[O-])cc3)c2)cc2c1OCO2 ZINC000049872370 562690002 /nfs/dbraw/zinc/69/00/02/562690002.db2.gz WXEHVGISBLCNOD-XQQSMPNESA-N -1 0 542.481 3.583 1 0 KHAFRM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)s2)cc1 ZINC000049878672 562690733 /nfs/dbraw/zinc/69/07/33/562690733.db2.gz DMIORTQLUPECMV-XMMPIXPASA-N -1 0 564.707 3.565 1 0 KHAFRM CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(S(=O)(=O)c4ccccc4)CC3)s2)cc1 ZINC000049881537 562690917 /nfs/dbraw/zinc/69/09/17/562690917.db2.gz WSJXJUJAODDAGQ-XMMPIXPASA-N -1 0 564.707 3.646 1 0 KHAFRM CCC(CC)CC(=O)c1c(O[C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c2cc(OC)c(OC)c(OC)c2c(-c2ccc(OC)c(OC)c2)c1C(=O)OC ZINC000049918272 562694669 /nfs/dbraw/zinc/69/46/69/562694669.db2.gz JZMLLQLRGKNWRO-HUGHJPDDSA-N -1 0 716.733 3.616 1 0 KHAFRM CCC(CC)CC(=O)c1c(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c2cc(OC)c(OC)c(OC)c2c(-c2ccc(OC)c(OC)c2)c1C(=O)OC ZINC000049918273 562694634 /nfs/dbraw/zinc/69/46/34/562694634.db2.gz JZMLLQLRGKNWRO-KUZGOPIOSA-N -1 0 716.733 3.616 1 0 KHAFRM CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](C[NH+]1CCCC1)c1cccc(N(CC(=O)[O-])CC(=O)[O-])c1 ZINC000053122797 562696239 /nfs/dbraw/zinc/69/62/39/562696239.db2.gz VHMUYMXYLKCHNV-JOCHJYFZSA-N -1 0 521.536 3.519 1 0 KHAFRM C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(N2CC[C@H](C(=O)[O-])C2)c1 ZINC000053174576 562696314 /nfs/dbraw/zinc/69/63/14/562696314.db2.gz JBRZAADBTXLKHT-CVEARBPZSA-N -1 0 515.529 3.655 1 0 KHAFRM C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(N2CCC[C@@H]2C(=O)[O-])c1 ZINC000053174580 562696339 /nfs/dbraw/zinc/69/63/39/562696339.db2.gz POEXHXPXERGIJJ-QVKFZJNVSA-N -1 0 515.529 3.797 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000058468511 562697928 /nfs/dbraw/zinc/69/79/28/562697928.db2.gz PBLPNMKALNLULH-DYMXRVJRSA-N -1 0 673.763 3.616 1 0 KHAFRM CCCCCOC(=O)N1CCN(C(=O)[C@@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@@H](COC)C3)cc(-c3ccccc3)n2)CC1 ZINC000058468535 562697939 /nfs/dbraw/zinc/69/79/39/562697939.db2.gz CWDIMLKYILDHMH-SHQCIBLASA-N -1 0 623.751 3.656 1 0 KHAFRM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)[P@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000058486044 562698081 /nfs/dbraw/zinc/69/80/81/562698081.db2.gz FDWJCEDPTNPQLJ-OLWXNGLDSA-N -1 0 683.787 3.653 1 0 KHAFRM CNC(=O)[C@H](Cc1ccc2c(c1)COC(C)(C)O2)Nc1nc(-n2cnc3ccc(C(=O)N4CCCc5ccccc54)cc32)nc(=O)[n-]1 ZINC000058534616 562698727 /nfs/dbraw/zinc/69/87/27/562698727.db2.gz AZZLOPIKVRREFQ-VWLOTQADSA-N -1 0 634.697 3.923 1 0 KHAFRM C[C@H]1COc2c(N3CCc4ccccc4[C@H]3C(=O)NC(C)(C)C)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23 ZINC000058538553 562698897 /nfs/dbraw/zinc/69/88/97/562698897.db2.gz RYBFFIKRPCLJHF-DJJJIMSYSA-N -1 0 538.532 3.719 1 0 KHAFRM C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(N2CCC[C@H]2C(=O)[O-])c1 ZINC000058539544 562698882 /nfs/dbraw/zinc/69/88/82/562698882.db2.gz POEXHXPXERGIJJ-VFNWGFHPSA-N -1 0 515.529 3.797 1 0 KHAFRM CO[C@@H]1[C@H](OC(=O)c2ccco2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C ZINC000058562654 562699381 /nfs/dbraw/zinc/69/93/81/562699381.db2.gz NUVGUHSXMOIEFB-UQCYUJMQSA-N -1 0 579.558 3.768 1 0 KHAFRM O=C([O-])CCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc32)[nH]c2c1C(=O)CCC2 ZINC000058568477 562699457 /nfs/dbraw/zinc/69/94/57/562699457.db2.gz NROKZPYRSOKBHT-HKWRFOASSA-N -1 0 531.590 3.795 1 0 KHAFRM CNC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)[nH]c2c1C(=O)CCC2 ZINC000058575926 562699627 /nfs/dbraw/zinc/69/96/27/562699627.db2.gz CEUGFEWLHGCQEO-HKWRFOASSA-N -1 0 518.595 3.506 1 0 KHAFRM CC(C)N(C)C(=O)N(C)c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12 ZINC000058576211 562699673 /nfs/dbraw/zinc/69/96/73/562699673.db2.gz XTDAZMKPILQCPI-UHFFFAOYSA-N -1 0 566.659 3.987 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1nccs1 ZINC000058576543 562699714 /nfs/dbraw/zinc/69/97/14/562699714.db2.gz OLNROGQGRXSEDN-XUVXKRRUSA-N -1 0 566.419 3.521 1 0 KHAFRM O=C([O-])CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)Cc4ccccc4)cc32)[nH]c2c1C(=O)CCC2 ZINC000058576590 562699733 /nfs/dbraw/zinc/69/97/33/562699733.db2.gz WYLTWMHCCIFULE-ZHZULCJRSA-N -1 0 519.579 3.986 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NC1CCCCC1 ZINC000058581411 562699811 /nfs/dbraw/zinc/69/98/11/562699811.db2.gz WCKOXEMXGOBKPL-RBZQAINGSA-N -1 0 565.450 3.875 1 0 KHAFRM O=c1c([O-])c(-c2ncc(Cc3ccc(F)cc3)s2)nc2c(Br)cc(N3CCOCC3)cn12 ZINC000058581907 562699849 /nfs/dbraw/zinc/69/98/49/562699849.db2.gz SYXPFHAWSHIXAB-UHFFFAOYSA-N -1 0 517.380 3.853 1 0 KHAFRM O=C([O-])[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3c(c1)OCC3)C2 ZINC000058582215 562699894 /nfs/dbraw/zinc/69/98/94/562699894.db2.gz YIIHVSKSGPYBER-IBGZPJMESA-N -1 0 588.469 3.801 1 0 KHAFRM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000058583017 562700021 /nfs/dbraw/zinc/70/00/21/562700021.db2.gz FVCNVRQKPMWUKH-GOTSBHOMSA-N -1 0 527.618 3.789 1 0 KHAFRM CNC(=O)[C@H](Cc1ccc2c(c1)COC(C)(C)O2)Nc1nc(-n2cnc3cc(C(=O)N4CCCc5ccccc54)ccc32)nc(=O)[n-]1 ZINC000058583450 562700103 /nfs/dbraw/zinc/70/01/03/562700103.db2.gz APEUJVYRISXJIA-VWLOTQADSA-N -1 0 634.697 3.923 1 0 KHAFRM O=C([O-])[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)/C=C/c1ccco1)C2 ZINC000058584070 562700215 /nfs/dbraw/zinc/70/02/15/562700215.db2.gz WHGBQVUQKROPLI-QWNKOJSDSA-N -1 0 562.431 3.859 1 0 KHAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 ZINC000058590864 562700338 /nfs/dbraw/zinc/70/03/38/562700338.db2.gz OJPBEMKSHHKLFW-RRRNYTRKSA-N -1 0 659.736 3.736 1 0 KHAFRM O=C([O-])[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NCc1cccs1 ZINC000058590888 562700377 /nfs/dbraw/zinc/70/03/77/562700377.db2.gz QISZKMMCJDRPAF-YTFSRNRJSA-N -1 0 579.458 3.804 1 0 KHAFRM COC(=O)c1ccc(/C=C/c2nc3ccc(OC)cc3c(=O)n2-c2ccc(C(=O)[O-])cc2)cc1C(=O)OC ZINC000058592419 562700614 /nfs/dbraw/zinc/70/06/14/562700614.db2.gz 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COc1cccc([C@H]2O[C@H](CCC(=O)N3CCN(CC(=O)[O-])C(=O)C3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084691021 562749749 /nfs/dbraw/zinc/74/97/49/562749749.db2.gz HCPKKZYMDLLYSX-QDPGVEIFSA-N -1 0 568.026 3.844 1 0 KHAFRM COc1c2c(c(-c3c4c(c(OC)c(Br)c3C(=O)[O-])OCO4)c(CO)c1Br)OCO2 ZINC000084703940 562749794 /nfs/dbraw/zinc/74/97/94/562749794.db2.gz LHOWDCVTSAQSPD-UHFFFAOYSA-N -1 0 534.109 3.544 1 0 KHAFRM CN1C(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)[C@]12C(=O)N(CC(=O)[O-])c1ccc(Cl)cc12 ZINC000084707924 562750111 /nfs/dbraw/zinc/75/01/11/562750111.db2.gz WMAXVBKMLAKWKZ-LJAQVGFWSA-N -1 0 555.978 3.913 1 0 KHAFRM CN1C(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)[C@@]12C(=O)N(CC(=O)[O-])c1ccc(Cl)cc12 ZINC000084707927 562750120 /nfs/dbraw/zinc/75/01/20/562750120.db2.gz WMAXVBKMLAKWKZ-GDLZYMKVSA-N -1 0 555.978 3.913 1 0 KHAFRM Cc1c(NC(=O)c2nc3c(c(=O)[n-]2)[C@H]2CCCN2C(=O)N3c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000084709420 562750299 /nfs/dbraw/zinc/75/02/99/562750299.db2.gz ALSBQYKXXZGSJW-LJQANCHMSA-N -1 0 511.542 3.641 1 0 KHAFRM Cc1c(NC(=O)c2nc3c(c(=O)[n-]2)[C@@H]2CCCN2C(=O)N3c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000084709422 562750316 /nfs/dbraw/zinc/75/03/16/562750316.db2.gz ALSBQYKXXZGSJW-IBGZPJMESA-N -1 0 511.542 3.641 1 0 KHAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccnc(C)n2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084710501 562750542 /nfs/dbraw/zinc/75/05/42/562750542.db2.gz ZUAARVAWKRMMKW-LOSJGSFVSA-N -1 0 613.689 3.726 1 0 KHAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)NCCN(C)CCNC1=O ZINC000084712463 562750798 /nfs/dbraw/zinc/75/07/98/562750798.db2.gz NJRKYYPVXISESG-UHFFFAOYSA-N -1 0 591.734 3.962 1 0 KHAFRM CC(C)[C@H](NC(=O)c1cc(-c2ccc(NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1)C(=O)[O-] ZINC000084712609 562750825 /nfs/dbraw/zinc/75/08/25/562750825.db2.gz MSQXSPIPFNOAJY-IBGZPJMESA-N -1 0 518.448 3.777 1 0 KHAFRM [NH3+][C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)N[C@H](CC(=O)[O-])Cc2c[nH]c3ccccc23)cc1OCCc1c[nH]c2ccccc12 ZINC000084758460 562752636 /nfs/dbraw/zinc/75/26/36/562752636.db2.gz PSKCGELKIVLDEB-DHLKQENFSA-N -1 0 611.655 3.827 1 0 KHAFRM COc1cc(C(=O)[O-])c(N[C@H](C)CCC(C)C)cc1O[C@@H]1O[C@H](COC(=O)c2cc(OC)c(O)c(OCCc3ccccc3)c2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000085489725 291813505 /nfs/dbraw/zinc/81/35/05/291813505.db2.gz GXJLHNIIAHSUBE-FYWGTBEISA-N -1 0 729.776 3.715 1 0 biogenic,in-vitro KHAFRM O=C([O-])CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@@H](OCC2(c3ccccc3)CCCC2)[C@H](O)[C@H]1O ZINC000085504402 565129451 /nfs/dbraw/zinc/12/94/51/565129451.db2.gz OPHNEIVRBFGUGX-UPTJZYPYSA-N -1 0 660.672 3.906 1 0 biogenic,in-vitro KHAFRM [NH3+][C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](C=C(Cc4ccncc4)C[C@@H]3CCCCCC13CCCC3)C(=O)O2)C(=O)NCC(=O)[O-])C(=O)[O-] ZINC000085507616 565131655 /nfs/dbraw/zinc/13/16/55/565131655.db2.gz FFISSKDPVMWQNM-GYWRHGNISA-N -1 0 682.840 3.502 1 0 biogenic,in-vitro KHAFRM 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/nfs/dbraw/zinc/80/35/96/291803596.db2.gz WSWJZPCMJMDKLE-WXGNDCMJSA-N -1 0 642.742 3.707 1 0 biogenic,in-vitro KHAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@](O)(CC[C@@H](C)C4CCOCC4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511583 565135131 /nfs/dbraw/zinc/13/51/31/565135131.db2.gz NNQBGYORBNLVGS-CNGCTUPISA-N -1 0 652.737 3.759 1 0 biogenic,in-vitro KHAFRM CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@]5(O)CCCC[C@@H]5[C@@H](CCC(C)C)C[C@]4(O)[C@H](O)[C@H]3O)c2c1O ZINC000085511622 560073814 /nfs/dbraw/zinc/07/38/14/560073814.db2.gz PGXRKKRXIKYJJE-OIXPNBSISA-N -1 0 586.678 3.689 1 0 biogenic,in-vitro KHAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H]4[C@](O)(CC[C@@H]5CCCC[C@@]45O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511769 565135141 /nfs/dbraw/zinc/13/51/41/565135141.db2.gz XBNHQEFHWODMDJ-BNNIPZSVSA-N -1 0 606.668 3.639 1 0 biogenic,in-vitro KHAFRM CCCCCC[C@H](C)CC[C@@]1(O)[C@@H](CO)O[C@@H](Oc2cc(C(=O)[O-])cc3cc(C)c(C(C)=O)c(O)c32)[C@H](O)[C@H]1O ZINC000085511841 560073710 /nfs/dbraw/zinc/07/37/10/560073710.db2.gz WOTOUUPPIOANNZ-BIYNUHGOSA-N -1 0 562.656 3.690 1 0 biogenic,in-vitro KHAFRM O=c1cc(CCc2ccccc2)oc2cc([O-])c(O[C@H]3c4c(=O)cc(CCc5ccccc5)oc4[C@H](O)[C@@H](O)[C@@H]3O)cc12 ZINC000085531498 560073268 /nfs/dbraw/zinc/07/32/68/560073268.db2.gz MVYHDKFAVRZLQI-OTBBYOMFSA-N -1 0 582.605 3.911 1 0 biogenic,in-vitro KHAFRM CC(/C=C/C=C(\C)[C@@H](O)[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@@](C)(O)[C@](C)(C(=O)CCO)[C@H]21)=C\C=C\C(=O)[O-] ZINC000085601072 560062983 /nfs/dbraw/zinc/06/29/83/560062983.db2.gz VBTJSQZQYFMROV-CIKGZJTNSA-N -1 0 542.669 3.846 1 0 biogenic,in-vitro KHAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095535858 562753890 /nfs/dbraw/zinc/75/38/90/562753890.db2.gz YJFBNJDVXGRJHI-DWCHZDDLSA-N -1 0 770.972 3.907 1 0 KHAFRM CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CNC(=O)[C@@H]1CN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-])C(=O)OC(C)(C)C 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CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000095588626 562774702 /nfs/dbraw/zinc/77/47/02/562774702.db2.gz ZLCANWGTJLLLDK-GOTSBHOMSA-N -1 0 521.570 3.579 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000095589424 562774930 /nfs/dbraw/zinc/77/49/30/562774930.db2.gz DVNSGYAKWFKOSY-ZEQRLZLVSA-N -1 0 535.597 3.970 1 0 KHAFRM Cn1c(=O)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c(C(F)(F)F)n(C)c1=O ZINC000095590438 562775268 /nfs/dbraw/zinc/77/52/68/562775268.db2.gz RUVVTIYWVAZMKF-HNNXBMFYSA-N -1 0 544.313 3.502 1 0 KHAFRM Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(C(=O)[O-])c(Oc4ccc(Cl)c(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095592284 562775905 /nfs/dbraw/zinc/77/59/05/562775905.db2.gz DPZOECPGDFHXGD-AWEZNQCLSA-N -1 0 554.408 3.668 1 0 KHAFRM Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])[nH]n1 ZINC000095592582 562776003 /nfs/dbraw/zinc/77/60/03/562776003.db2.gz DLCJNSXAQJQJCH-HJPURHCSSA-N -1 0 585.646 3.506 1 0 KHAFRM O=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)c1ncc[n-]1 ZINC000095593141 562776170 /nfs/dbraw/zinc/77/61/70/562776170.db2.gz NLGAWGAZPPANQI-NVVBAYIOSA-N -1 0 559.012 3.672 1 0 KHAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095598907 562777648 /nfs/dbraw/zinc/77/76/48/562777648.db2.gz BTIXQBSQTKWDSU-YYULODDRSA-N -1 0 616.718 3.662 1 0 KHAFRM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000095599114 562777755 /nfs/dbraw/zinc/77/77/55/562777755.db2.gz KGXRKGUBMIHZSP-SODQHWRNSA-N -1 0 676.881 3.991 1 0 KHAFRM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000095600473 562778922 /nfs/dbraw/zinc/77/89/22/562778922.db2.gz KGXRKGUBMIHZSP-ZXPXOXBPSA-N -1 0 676.881 3.991 1 0 KHAFRM 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/nfs/dbraw/zinc/78/20/14/562782014.db2.gz FPVZBTVLTPLRDX-BBACVFHCSA-N -1 0 762.864 3.657 1 0 KHAFRM COc1ccc(COC(=O)C2=C(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N23)cc1 ZINC000095606975 562782569 /nfs/dbraw/zinc/78/25/69/562782569.db2.gz MWYQIJFCPQHFGV-JGBHCADMSA-N -1 0 781.863 3.944 1 0 KHAFRM NC(=O)C1(NC(=O)[C@@H](CCCC(=O)[O-])NC(=O)[C@@H](CCCCNC(=O)/C=C/c2cccnc2)NC(=O)c2ccc(Nc3nc4ccccc4[nH]3)cc2)CCCCC1 ZINC000095607480 562782832 /nfs/dbraw/zinc/78/28/32/562782832.db2.gz JQQGEJSQJRYRGL-KXIAJFSESA-N -1 0 779.899 3.844 1 0 KHAFRM NC(=O)C1(NC(=O)[C@@H](CCCC(=O)[O-])NC(=O)[C@@H](CCCCNC(=O)/C=C/c2cccnc2)NC(=O)c2cccc(Nc3nc4ccccc4[nH]3)c2)CCCCC1 ZINC000095607501 562782823 /nfs/dbraw/zinc/78/28/23/562782823.db2.gz HSFCXTLEFAJTBZ-MXTMPCMSSA-N -1 0 779.899 3.844 1 0 KHAFRM C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(=O)CCC(=O)[O-])CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000095607824 562783109 /nfs/dbraw/zinc/78/31/09/562783109.db2.gz LGQCKVPZOWNYTK-JPOLRIDZSA-N -1 0 675.860 3.527 1 0 KHAFRM Cc1cc(O)cc(O)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000095608099 562783372 /nfs/dbraw/zinc/78/33/72/562783372.db2.gz SGYUWRWFTZOXFP-MYOMABOUSA-N -1 0 779.891 3.623 1 0 KHAFRM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](C)CC ZINC000095610394 562784385 /nfs/dbraw/zinc/78/43/85/562784385.db2.gz GFCOMJOGVMUFPE-OSXYACSBSA-N -1 0 782.939 3.522 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095611082 562784825 /nfs/dbraw/zinc/78/48/25/562784825.db2.gz HDQHQDRYXYSJIA-OQIMXIDESA-N -1 0 762.864 3.657 1 0 KHAFRM COc1ccc(C[C@H](NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(N)=O)cc1 ZINC000095611113 562784844 /nfs/dbraw/zinc/78/48/44/562784844.db2.gz SONWMVJATYSVQD-IHUVGRGJSA-N -1 0 792.890 3.665 1 0 KHAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1cccc2ccccc21)C(N)=O)c1ccccc1 ZINC000095612237 562785341 /nfs/dbraw/zinc/78/53/41/562785341.db2.gz RYNRWNJFDSYFLB-TUCRWICHSA-N -1 0 748.837 3.787 1 0 KHAFRM CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)Oc2ccc(cc2)CCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000095612721 562785768 /nfs/dbraw/zinc/78/57/68/562785768.db2.gz UPCJPVVPQWHYBH-JOJDORDVSA-N -1 0 781.907 3.820 1 0 KHAFRM Cc1cc2nc(-c3c(I)cc(C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCC(=O)[O-])cc3I)[nH]c2cc1C ZINC000095613051 562786035 /nfs/dbraw/zinc/78/60/35/562786035.db2.gz SBHPPFDQWPWJDN-FYSMJZIKSA-N -1 0 809.399 3.808 1 0 KHAFRM CC(C)[C@H](NC(=O)C[C@@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000095615004 562787000 /nfs/dbraw/zinc/78/70/00/562787000.db2.gz QJQRVBQEIVDUTB-UZMHVHBGSA-N -1 0 829.973 3.795 1 0 KHAFRM NC(=O)C1(NC(=O)[C@H](CCCC(=O)[O-])NC(=O)[C@H](CCCCNC(=O)/C=C/c2cccnc2)NC(=O)Cc2ccc(Nc3nc4ccccc4[nH]3)cc2)CCCCC1 ZINC000095615119 562787122 /nfs/dbraw/zinc/78/71/22/562787122.db2.gz CJSJCPSXRGQDKE-KYAQHZTFSA-N -1 0 793.926 3.773 1 0 KHAFRM CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1 ZINC000095615491 562787307 /nfs/dbraw/zinc/78/73/07/562787307.db2.gz UQJLFFNBKVCPJI-MHZLTWQESA-N -1 0 623.751 3.534 1 0 KHAFRM C[C@](Cc1ccc(Oc2cc(N3CCN(C(=O)c4ccco4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000095617432 562788034 /nfs/dbraw/zinc/78/80/34/562788034.db2.gz VXWUROHCGULBAW-GDLZYMKVSA-N -1 0 543.580 3.871 1 0 KHAFRM CO[C@]12c3c(cc(O)c4c3O[C@@H](c3ccc(O)cc3)[C@H](O)C4)O[C@]1(c1ccc(O)cc1)Oc1cc(O)cc(O)c1C2=O ZINC000095910308 565177042 /nfs/dbraw/zinc/17/70/42/565177042.db2.gz HWOWTBXAJJELGT-XISBPEQGSA-N -1 0 572.522 3.614 1 0 biogenic,in-vitro KHAFRM CO[C@@H]1Cc2c(O)cc3c(c2O[C@H]1c1ccc(O)cc1)[C@]1(O)C(=O)c2c(O)cc(O)cc2O[C@]1(c1ccc(O)cc1)O3 ZINC000095910309 565177051 /nfs/dbraw/zinc/17/70/51/565177051.db2.gz IJTVGYWZACQEJP-RJRGQCHMSA-N -1 0 572.522 3.614 1 0 biogenic,in-vitro KHAFRM CO[C@]12c3c(cc(O)c4c3O[C@@H](c3ccc(O)cc3)[C@H](O)C4)O[C@@]1(c1ccc(O)cc1)Oc1cc(O)cc(O)c1C2=O ZINC000095910310 565177030 /nfs/dbraw/zinc/17/70/30/565177030.db2.gz HWOWTBXAJJELGT-RCJZCVCASA-N -1 0 572.522 3.614 1 0 biogenic,in-vitro KHAFRM CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)[C@H](O)C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)[O-])[C@@]12C ZINC000095911581 574417125 /nfs/dbraw/zinc/41/71/25/574417125.db2.gz QVALJVWVGGEFKU-CCAYVTKXSA-N -1 0 574.711 3.673 1 0 endogenous,in-man KHAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC1(C)COC1)c2=O ZINC000096169980 562790953 /nfs/dbraw/zinc/79/09/53/562790953.db2.gz XQMZPSMSXVEEFK-UHFFFAOYSA-N -1 0 530.606 3.882 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCOCC2)c2ncnn21 ZINC000096178238 562792587 /nfs/dbraw/zinc/79/25/87/562792587.db2.gz PVXNIQGHSHMYMD-UHFFFAOYSA-N -1 0 512.570 3.796 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n(C2CCOCC2)c2ncnn21 ZINC000096178242 562792573 /nfs/dbraw/zinc/79/25/73/562792573.db2.gz IXMYUKKUGGHRDZ-UHFFFAOYSA-N -1 0 530.560 3.935 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n([C@@H]2CCOC2)c2nc(C)nn21 ZINC000096178243 562792559 /nfs/dbraw/zinc/79/25/59/562792559.db2.gz LRJVLLMLQSJIKY-LJQANCHMSA-N -1 0 530.560 3.854 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n([C@H]2CCOC2)c2nc(C)nn21 ZINC000096178244 562792585 /nfs/dbraw/zinc/79/25/85/562792585.db2.gz LRJVLLMLQSJIKY-IBGZPJMESA-N -1 0 530.560 3.854 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n([C@@H]2CCCOC2)c2ncnn21 ZINC000096178245 562792565 /nfs/dbraw/zinc/79/25/65/562792565.db2.gz DAHXYMJENTZYQE-LJQANCHMSA-N -1 0 530.560 3.935 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n([C@H]2CCCOC2)c2ncnn21 ZINC000096178246 562792569 /nfs/dbraw/zinc/79/25/69/562792569.db2.gz DAHXYMJENTZYQE-IBGZPJMESA-N -1 0 530.560 3.935 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@@H]2CCCOC2)c2ncnn21 ZINC000096178247 562792607 /nfs/dbraw/zinc/79/26/07/562792607.db2.gz MFOMFVVDJFZESG-HXUWFJFHSA-N -1 0 512.570 3.796 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CCCOC2)c2ncnn21 ZINC000096178248 562792579 /nfs/dbraw/zinc/79/25/79/562792579.db2.gz MFOMFVVDJFZESG-FQEVSTJZSA-N -1 0 512.570 3.796 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC2)OC[C@H](CO)O3)c2ncnn21 ZINC000096178326 562792671 /nfs/dbraw/zinc/79/26/71/562792671.db2.gz KRADASIOFJNCBU-HOEDSTDZSA-N -1 0 598.660 3.664 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC2)OC[C@@H](CO)O3)c2ncnn21 ZINC000096178327 562792669 /nfs/dbraw/zinc/79/26/69/562792669.db2.gz KRADASIOFJNCBU-PKEVJJSFSA-N -1 0 598.660 3.664 1 0 KHAFRM O=C([O-])C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000096258568 562792922 /nfs/dbraw/zinc/79/29/22/562792922.db2.gz DGAHPCXPAOSKOU-JOCHJYFZSA-N -1 0 527.986 3.950 1 0 KHAFRM O=C([O-])C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000096258570 562792912 /nfs/dbraw/zinc/79/29/12/562792912.db2.gz DGAHPCXPAOSKOU-QFIPXVFZSA-N -1 0 527.986 3.950 1 0 KHAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)NCC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270845 562793406 /nfs/dbraw/zinc/79/34/06/562793406.db2.gz VIVRTOOXGVMLDB-KAYWLYCHSA-N -1 0 516.660 3.634 1 0 KHAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[NH2+][C@H](CC(=O)[O-])C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270856 562793416 /nfs/dbraw/zinc/79/34/16/562793416.db2.gz XMAQTKVJNKAOMZ-FZBZCGEPSA-N -1 0 532.659 3.518 1 0 KHAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[NH2+][C@@H](CC(=O)[O-])C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270860 562793496 /nfs/dbraw/zinc/79/34/96/562793496.db2.gz XMAQTKVJNKAOMZ-MAFNXUKGSA-N -1 0 532.659 3.518 1 0 KHAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCS(=O)(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270871 562793463 /nfs/dbraw/zinc/79/34/63/562793463.db2.gz KVAHZESNRLLCNI-DNQXCXABSA-N -1 0 511.662 3.767 1 0 KHAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC[P@@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270874 562793470 /nfs/dbraw/zinc/79/34/70/562793470.db2.gz DMZZOWRLYKBJBA-DNQXCXABSA-N -1 0 510.593 3.725 1 0 KHAFRM CCCCOC(=O)c1cnc(N2CCN(C(=O)[N-]S(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1 ZINC000096272844 562794267 /nfs/dbraw/zinc/79/42/67/562794267.db2.gz MXUMUFQZUKAXKE-UHFFFAOYSA-N -1 0 521.448 3.627 1 0 KHAFRM O=C(COc1cc(=O)c2c([O-])cc(-c3ccc4c(c3)OCCO4)oc-2c1)OCCCCCCO[N+](=O)[O-] ZINC000096273315 562794457 /nfs/dbraw/zinc/79/44/57/562794457.db2.gz JOCZGATZURCUEP-UHFFFAOYSA-N -1 0 515.471 3.628 1 0 KHAFRM CCN(CC)c1ncc(N(c2ccccn2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273499 562794525 /nfs/dbraw/zinc/79/45/25/562794525.db2.gz KAUWYEHHOMTVRN-QFIPXVFZSA-N -1 0 597.698 3.518 1 0 KHAFRM CCN(CC)c1ncc(N(C2CCCC2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273501 562794494 /nfs/dbraw/zinc/79/44/94/562794494.db2.gz UJURHSUDCZMQEN-QHCPKHFHSA-N -1 0 588.731 3.734 1 0 KHAFRM CCN(CC)c1ncc(N(CC)c2ncccn2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273507 562794530 /nfs/dbraw/zinc/79/45/30/562794530.db2.gz IHTYXBYCVOIZGN-QFIPXVFZSA-N -1 0 548.648 3.973 1 0 KHAFRM CCN(CC)c1ncc(N(c2cccnc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273515 562794562 /nfs/dbraw/zinc/79/45/62/562794562.db2.gz UJHIRAKOONSSEL-QHCPKHFHSA-N -1 0 597.698 3.518 1 0 KHAFRM CCN(CC)c1ncc(N(c2ccncc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273518 562794558 /nfs/dbraw/zinc/79/45/58/562794558.db2.gz WRBJBMNRRSCTTO-QHCPKHFHSA-N -1 0 597.698 3.518 1 0 KHAFRM CCN(CC)c1ncc(N(CC)C(=O)N(C)C)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273521 562794576 /nfs/dbraw/zinc/79/45/76/562794576.db2.gz OIIKLCMZNWWHNO-NRFANRHFSA-N -1 0 541.653 3.533 1 0 KHAFRM COc1ccc(-c2ccc(C(=O)N[C@H](CO)C(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283214 562794752 /nfs/dbraw/zinc/79/47/52/562794752.db2.gz GCBXPOHPNDVIFD-HSZRJFAPSA-N -1 0 557.607 3.975 1 0 in-vitro KHAFRM COc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2cccc(C(N)=O)c2)n1 ZINC000096283216 562794818 /nfs/dbraw/zinc/79/48/18/562794818.db2.gz XJUHHLPHKIHHLF-UHFFFAOYSA-N -1 0 504.543 3.583 1 0 KHAFRM CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000096302120 562796286 /nfs/dbraw/zinc/79/62/86/562796286.db2.gz GEMWRCXJLPOQSU-BLNBCHBNSA-N -1 0 823.957 3.522 1 0 KHAFRM CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000096302121 562796298 /nfs/dbraw/zinc/79/62/98/562796298.db2.gz RRSQTXITGNXGOJ-AWMHAVFRSA-N -1 0 815.946 3.657 1 0 KHAFRM CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000096302122 562796303 /nfs/dbraw/zinc/79/63/03/562796303.db2.gz QJQRVBQEIVDUTB-WROLNVFFSA-N -1 0 829.973 3.795 1 0 KHAFRM C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](COc2cc(F)cc(F)c2)[C@@H](O)CC(=O)NCc2ccc(C(=O)[O-])cc2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000096302125 562796294 /nfs/dbraw/zinc/79/62/94/562796294.db2.gz DNZHYNGWAQMAQF-ZVMHSHCWSA-N -1 0 752.793 3.795 1 0 KHAFRM C[C@@H]1O[C@@H](OC[C@@H]2[C@@H](O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]32C)[C@H](O)[C@H](O)[C@H]1O ZINC000096307604 562796416 /nfs/dbraw/zinc/79/64/16/562796416.db2.gz DCZZMOKZJIBKQP-DBQYPUSDSA-N -1 0 620.824 3.639 1 0 KHAFRM CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]2CC[C@]14C ZINC000096902943 562797755 /nfs/dbraw/zinc/79/77/55/562797755.db2.gz GBLLPOXBHIJYPH-OWTAONPLSA-N -1 0 648.834 3.796 1 0 KHAFRM CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O[C@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]3O)C(C)(C)[C@@H]2CC[C@]14C ZINC000096902944 562797759 /nfs/dbraw/zinc/79/77/59/562797759.db2.gz GBLLPOXBHIJYPH-NNXDUEDZSA-N -1 0 648.834 3.796 1 0 KHAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096903116 562797815 /nfs/dbraw/zinc/79/78/15/562797815.db2.gz FCPRBNDLDDAHLC-CREXQFFGSA-N -1 0 620.824 3.640 1 0 KHAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])NC(=O)NCc1ccccc1 ZINC000096905088 562798445 /nfs/dbraw/zinc/79/84/45/562798445.db2.gz MLWXPAVWMGMXHV-QKDODKLFSA-N -1 0 636.750 3.551 1 0 KHAFRM COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2C(=O)[O-])C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000096906588 562798795 /nfs/dbraw/zinc/79/87/95/562798795.db2.gz WRHDOVTVRPQHTD-RYLIGVMFSA-N -1 0 538.549 3.992 1 0 KHAFRM CCN(CC)c1ncc(N(C)S(=O)(=O)c2ccc(C)cc2)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])n1 ZINC000096907662 562799176 /nfs/dbraw/zinc/79/91/76/562799176.db2.gz OEJKOCIRUZGQCT-QHCPKHFHSA-N -1 0 584.699 3.625 1 0 KHAFRM CCN(CC)c1ncc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])n1 ZINC000096907664 562799138 /nfs/dbraw/zinc/79/91/38/562799138.db2.gz ORRJHIQERVXEBS-QFIPXVFZSA-N -1 0 605.117 3.970 1 0 KHAFRM CCN(CC)c1ncc(N(CC)S(=O)(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])n1 ZINC000096907665 562799162 /nfs/dbraw/zinc/79/91/62/562799162.db2.gz VICSCRNXUHBNEX-QHCPKHFHSA-N -1 0 602.689 3.845 1 0 KHAFRM CCN(CC)c1ncc(N(CC)S(=O)(=O)c2ccc(F)c(F)c2)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])n1 ZINC000096907667 562799171 /nfs/dbraw/zinc/79/91/71/562799171.db2.gz FRMNIWNTWUCAEW-QHCPKHFHSA-N -1 0 620.679 3.984 1 0 KHAFRM CCNC(=S)Nc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)c(F)c1 ZINC000096921850 562801552 /nfs/dbraw/zinc/80/15/52/562801552.db2.gz JDLVUDGWHAFKQH-UHFFFAOYSA-N -1 0 515.586 3.631 1 0 KHAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000096923452 562802068 /nfs/dbraw/zinc/80/20/68/562802068.db2.gz MLTDQJFAHZGYPI-JOCHJYFZSA-N -1 0 589.411 3.999 1 0 KHAFRM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC(=O)[O-])c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939136 562804716 /nfs/dbraw/zinc/80/47/16/562804716.db2.gz IYPKDNOTWWGAAY-NSHDSACASA-N -1 0 523.530 3.598 1 0 KHAFRM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC(=O)[O-])c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939137 562804673 /nfs/dbraw/zinc/80/46/73/562804673.db2.gz IYPKDNOTWWGAAY-LLVKDONJSA-N -1 0 523.530 3.598 1 0 KHAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCCCC[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2 ZINC000098065415 562805089 /nfs/dbraw/zinc/80/50/89/562805089.db2.gz YDSARQVEDLUCKQ-QUCCMNQESA-N -1 0 562.645 3.513 1 0 KHAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCCCC[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2 ZINC000098065416 562805108 /nfs/dbraw/zinc/80/51/08/562805108.db2.gz YDSARQVEDLUCKQ-ICSRJNTNSA-N -1 0 562.645 3.513 1 0 KHAFRM CCCCCNC(=O)[C@H](Cc1ccc([C@H]2CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cc1 ZINC000098082688 562805331 /nfs/dbraw/zinc/80/53/31/562805331.db2.gz DTDNFGWSHQCKPC-RWSKJCERSA-N -1 0 662.809 3.730 1 0 KHAFRM CCCCCNC(=O)[C@H](Cc1ccc(C2=CC(=O)[N-]S2(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cc1 ZINC000098082689 562805315 /nfs/dbraw/zinc/80/53/15/562805315.db2.gz BDKBZCGREBPIMH-KYJUHHDHSA-N -1 0 660.793 3.640 1 0 KHAFRM CCCCCNC(=O)[C@H](Cc1ccc(C2=CS(=O)(=O)[N-]C2=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cc1 ZINC000098084655 562805704 /nfs/dbraw/zinc/80/57/04/562805704.db2.gz PRSOVSXLJYVMQB-CONSDPRKSA-N -1 0 660.793 3.640 1 0 KHAFRM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](CCC(=O)[O-])C1=O)C2 ZINC000100044572 562806373 /nfs/dbraw/zinc/80/63/73/562806373.db2.gz DBPQXDYXFWSSCU-WAINIXSXSA-N -1 0 556.725 3.731 1 0 KHAFRM O=C([O-])C[C@H](CCC1CCN(C(=O)c2cccc(NC3=CC[C@H](O)C[NH2+]3)c2)CC1)c1ccc2c(c1)OCO2 ZINC000100057663 562806472 /nfs/dbraw/zinc/80/64/72/562806472.db2.gz RRYMQSFBOJUJEI-URXFXBBRSA-N -1 0 521.614 3.914 1 0 KHAFRM O=C([O-])C[C@H](CCC1CCN(C(=O)c2cccc(NC3=CC[C@@H](O)C[NH2+]3)c2)CC1)c1ccc2c(c1)OCO2 ZINC000100057665 562806453 /nfs/dbraw/zinc/80/64/53/562806453.db2.gz RRYMQSFBOJUJEI-XUZZJYLKSA-N -1 0 521.614 3.914 1 0 KHAFRM O=C([O-])C[C@@H](CCC1CCN(C(=O)c2cccc(NC3=CC[C@H](O)C[NH2+]3)c2)CC1)c1ccc2c(c1)OCO2 ZINC000100057667 562806450 /nfs/dbraw/zinc/80/64/50/562806450.db2.gz RRYMQSFBOJUJEI-QPPBQGQZSA-N -1 0 521.614 3.914 1 0 KHAFRM O=C([O-])C[C@@H](CCC1CCN(C(=O)c2cccc(NC3=CC[C@@H](O)C[NH2+]3)c2)CC1)c1ccc2c(c1)OCO2 ZINC000100057670 562806498 /nfs/dbraw/zinc/80/64/98/562806498.db2.gz RRYMQSFBOJUJEI-ZJSXRUAMSA-N -1 0 521.614 3.914 1 0 KHAFRM Cc1ccc(-c2nn(Cc3ccccc3)c([O-])c(C3=Nc4ccc(NS(C)(=O)=O)cc4S(=O)(=O)C3)c2=O)s1 ZINC000100424916 562806976 /nfs/dbraw/zinc/80/69/76/562806976.db2.gz BFSSGMNSJCONFA-UHFFFAOYSA-N -1 0 570.674 3.603 1 0 KHAFRM Cc1ccc(-c2nn(Cc3ccccc3)c([O-])c(C3=Nc4ccc(N(C)S(C)(=O)=O)cc4S(=O)(=O)C3)c2=O)s1 ZINC000100424927 562807023 /nfs/dbraw/zinc/80/70/23/562807023.db2.gz XPXJDLSBPZLEIQ-UHFFFAOYSA-N -1 0 584.701 3.628 1 0 KHAFRM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3c2cccc3OCc2ncon2)C(=O)[C@@H]1C(C)(C)C ZINC000100425072 562807062 /nfs/dbraw/zinc/80/70/62/562807062.db2.gz JORAWXJHZJINRT-OAQYLSRUSA-N -1 0 502.593 3.645 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@@H](OCCO)CC2)c2ncnn21 ZINC000100638591 562807205 /nfs/dbraw/zinc/80/72/05/562807205.db2.gz IMWLJNKUDMXADB-YHBQERECSA-N -1 0 570.650 3.937 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@H](OCCO)CC2)c2ncnn21 ZINC000100638592 562807209 /nfs/dbraw/zinc/80/72/09/562807209.db2.gz IMWLJNKUDMXADB-ZRZAMGCNSA-N -1 0 570.650 3.937 1 0 KHAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@](O)(COC)CC2)c2ncnn21 ZINC000100638702 562807195 /nfs/dbraw/zinc/80/71/95/562807195.db2.gz SIHWYLAFBFMLGG-OCUBCVOHSA-N -1 0 570.650 3.937 1 0 KHAFRM CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC(=O)[O-])[C@@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777021 574418694 /nfs/dbraw/zinc/41/86/94/574418694.db2.gz PMDYHIAMOYUOJS-AUTFPRAJSA-N -1 0 614.817 3.898 1 0 endogenous,in-man KHAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC(=O)[O-])[C@@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777024 574418698 /nfs/dbraw/zinc/41/86/98/574418698.db2.gz PMDYHIAMOYUOJS-NGHFUMTFSA-N -1 0 614.817 3.898 1 0 endogenous,in-man KHAFRM CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC(=O)[O-])[C@@H](C)C[C@@H]1C)[C@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777025 574418700 /nfs/dbraw/zinc/41/87/00/574418700.db2.gz PMDYHIAMOYUOJS-CPWWXGAKSA-N -1 0 614.817 3.898 1 0 endogenous,in-man KHAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC(=O)[O-])[C@@H](C)C[C@@H]1C)[C@H]1O[C@](C)([C@@]2(O)O[C@](CC)([C@@H](C)O)C[C@@H]2C)C[C@@H]1C ZINC000100777027 574418691 /nfs/dbraw/zinc/41/86/91/574418691.db2.gz PMDYHIAMOYUOJS-RTNYXDRQSA-N -1 0 614.817 3.898 1 0 endogenous,in-man KHAFRM COC(=O)[C@@]1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777898 574418791 /nfs/dbraw/zinc/41/87/91/574418791.db2.gz NSIBODJHRJTEFG-UKRPTLNTSA-N -1 0 648.834 3.822 1 0 endogenous,in-man KHAFRM COC(=O)[C@]1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777899 574418784 /nfs/dbraw/zinc/41/87/84/574418784.db2.gz NSIBODJHRJTEFG-VYJRSDQESA-N -1 0 648.834 3.822 1 0 endogenous,in-man KHAFRM COC(=O)[C@@]1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777902 574418788 /nfs/dbraw/zinc/41/87/88/574418788.db2.gz NSIBODJHRJTEFG-MBVGUICDSA-N -1 0 648.834 3.822 1 0 endogenous,in-man KHAFRM COC(=O)[C@]1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777903 574418795 /nfs/dbraw/zinc/41/87/95/574418795.db2.gz NSIBODJHRJTEFG-WOIISZFDSA-N -1 0 648.834 3.822 1 0 endogenous,in-man KHAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(/C=C/CN4CCN(c5ccccc5F)CC4)CC3)c(F)cc2c1=O ZINC000100814195 562808085 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562808758 /nfs/dbraw/zinc/80/87/58/562808758.db2.gz WHBPMBPVQNPBHA-UHFFFAOYSA-N -1 0 525.384 3.774 1 0 KHAFRM O=c1c2ccccc2n(NCc2cccc(Br)c2)c([O-])c1C1=NS(=O)(=O)c2ccccc2N1 ZINC000101033575 562808731 /nfs/dbraw/zinc/80/87/31/562808731.db2.gz SPXNOEDBAIIWPU-UHFFFAOYSA-N -1 0 525.384 3.774 1 0 KHAFRM CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c([O-])c2cc(I)ccc21 ZINC000101035080 562808828 /nfs/dbraw/zinc/80/88/28/562808828.db2.gz LPCUJXQYRGLQFI-UHFFFAOYSA-N -1 0 537.379 3.919 1 0 KHAFRM CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3N2)c([O-])c2cccnc21 ZINC000101050649 562808920 /nfs/dbraw/zinc/80/89/20/562808920.db2.gz CPLQQJNXYJHRQS-UHFFFAOYSA-N -1 0 567.649 3.510 1 0 KHAFRM CC(C)(C)[C@H]1C(O)=C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccc(F)cc1 ZINC000101294371 562810261 /nfs/dbraw/zinc/81/02/61/562810261.db2.gz RGXRFMDVMGSEIH-JOCHJYFZSA-N -1 0 535.619 3.507 1 0 KHAFRM Cc1cc(CN2C(=O)C(C3=CS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)=C(O)[C@@H]2C(C)(C)C)ccc1F ZINC000101294377 562810265 /nfs/dbraw/zinc/81/02/65/562810265.db2.gz XXQOBDSNGHCQOE-HSZRJFAPSA-N -1 0 549.646 3.815 1 0 KHAFRM COc1cc(CN2C(=O)C(C3=CS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)=C(O)[C@@H]2C(C)(C)C)ccc1F ZINC000101294384 562810239 /nfs/dbraw/zinc/81/02/39/562810239.db2.gz QOMKPCVGYYIIAK-HSZRJFAPSA-N -1 0 565.645 3.516 1 0 KHAFRM CC(C)(C)[C@H]1C(O)=C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccc(F)cc1F ZINC000101294390 562810244 /nfs/dbraw/zinc/81/02/44/562810244.db2.gz SMZRGWQJFHXVBI-JOCHJYFZSA-N -1 0 553.609 3.646 1 0 KHAFRM CC(C)(C)CCN1C(=O)C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)[C@@H]1C(C)(C)C ZINC000101294410 562810248 /nfs/dbraw/zinc/81/02/48/562810248.db2.gz GXOQIGPYISLRPV-HXUWFJFHSA-N -1 0 511.666 3.604 1 0 KHAFRM CC(C)(C)[C@H]1C(O)=C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)cc(F)c3N2)C(=O)N1Cc1ccc(F)cc1 ZINC000101294463 562810273 /nfs/dbraw/zinc/81/02/73/562810273.db2.gz MNAKAWGFQQELHQ-JOCHJYFZSA-N -1 0 553.609 3.646 1 0 KHAFRM COc1ccc(CNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2Br)cc1 ZINC000101587446 562811359 /nfs/dbraw/zinc/81/13/59/562811359.db2.gz YEKUNKQWOSXGQC-UHFFFAOYSA-N -1 0 500.378 3.652 1 0 KHAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2 ZINC000101655836 562811553 /nfs/dbraw/zinc/81/15/53/562811553.db2.gz SNCZSOMZWKLZNB-UHFFFAOYSA-N -1 0 559.572 3.603 1 0 in-vitro KHAFRM CCC[C@@H](C)n1c(=O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c([O-])c2cc(F)ccc21 ZINC000101657676 562811597 /nfs/dbraw/zinc/81/15/97/562811597.db2.gz RMWWFGOOVLORPC-CYBMUJFWSA-N -1 0 521.592 3.777 1 0 KHAFRM CCC[C@H](C)n1c(=O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c([O-])c2cc(F)ccc21 ZINC000101657678 562811606 /nfs/dbraw/zinc/81/16/06/562811606.db2.gz RMWWFGOOVLORPC-ZDUSSCGKSA-N -1 0 521.592 3.777 1 0 KHAFRM CC(C)(C)CCn1c(=O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c([O-])c2cc(F)ccc21 ZINC000101657680 562811586 /nfs/dbraw/zinc/81/15/86/562811586.db2.gz WPUIEGAXSVPQQK-UHFFFAOYSA-N -1 0 535.619 3.852 1 0 KHAFRM O=c1c2c(nc3[n-]nc([C@H](O)[C@H](O)[C@H](O)CO)n31)nc1c(c2-c2ccc(Cl)cc2)CCC/C1=C\c1ccc(Cl)cc1 ZINC000101665431 562811624 /nfs/dbraw/zinc/81/16/24/562811624.db2.gz OBYXHZIGYGOJJI-HGMFXZQVSA-N -1 0 594.455 3.564 1 0 KHAFRM Cc1cc(Cn2c(=O)c(C3=Nc4ccc(NS(C)(=O)=O)cc4S(=O)(=O)C3)c([O-])c3cc(F)ccc32)ccc1F ZINC000101666059 562811641 /nfs/dbraw/zinc/81/16/41/562811641.db2.gz YWHZYQZIPUTGRI-UHFFFAOYSA-N -1 0 573.599 3.911 1 0 KHAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3ccc(F)cc3n(Cc3ccc(F)cc3)c1=O)N2 ZINC000101666270 562811646 /nfs/dbraw/zinc/81/16/46/562811646.db2.gz IGZPAMIECCWPIK-UHFFFAOYSA-N -1 0 559.572 3.603 1 0 KHAFRM CN(c1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2)S(C)(=O)=O ZINC000101670748 562811656 /nfs/dbraw/zinc/81/16/56/562811656.db2.gz HWPJMXCNAYWHFX-UHFFFAOYSA-N -1 0 573.599 3.627 1 0 KHAFRM COC(=O)C[C@@H](O[C@H](C)C(=O)[O-])O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]4[C@H]5CO[C@@]4(C)O[C@@]32O5)C1 ZINC000101670906 562811688 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562812267 /nfs/dbraw/zinc/81/22/67/562812267.db2.gz WRHJFKGWTWJTFY-UHFFFAOYSA-N -1 0 509.573 3.594 1 0 KHAFRM Cc1c2c(N)n(-c3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c(=S)nc2nc2c1C(=O)CC(C)(C)C2 ZINC000101872434 562812290 /nfs/dbraw/zinc/81/22/90/562812290.db2.gz YNXCJKHJPKCECP-UHFFFAOYSA-N -1 0 521.628 3.617 1 0 KHAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cccc(F)c3n(Cc3ccc(F)cc3)c1=O)N2 ZINC000102181592 562812852 /nfs/dbraw/zinc/81/28/52/562812852.db2.gz UXAAKFVNLRYJMZ-UHFFFAOYSA-N -1 0 559.572 3.603 1 0 KHAFRM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccc(F)c(F)c3)c1=O)N2 ZINC000102246741 562812983 /nfs/dbraw/zinc/81/29/83/562812983.db2.gz MMBLZONVMANEFE-UHFFFAOYSA-N -1 0 577.562 3.742 1 0 KHAFRM O=C(NCc1ccc(F)cc1)c1c([O-])c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCC2=O)c1=O ZINC000102905942 562813476 /nfs/dbraw/zinc/81/34/76/562813476.db2.gz MICHNPFNQOVIOX-UHFFFAOYSA-N -1 0 532.547 3.524 1 0 KHAFRM O=C(Cn1c(=O)c(C(=O)NCc2ccc(F)cc2)c([O-])c2ncc(Cc3ccc(F)cc3)cc21)N1CCCCC1 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