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-])Cc1nn(CC(=S)Nc2cc(C(F)(F)F)ccc2Br)c(=O)c2ccccc12 ZINC000000597850 561675409 /nfs/dbraw/zinc/67/54/09/561675409.db2.gz NWZJXNAKOKFTDF-UHFFFAOYSA-N -1 0 500.296 4.244 1 0 KIAFRM COc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@@H](c1cn(C)c2cc(F)ccc12)c1ccc2c(c1)OCO2 ZINC000001487557 561676064 /nfs/dbraw/zinc/67/60/64/561676064.db2.gz ZLSUWQHIYSFEQP-RUZDIDTESA-N -1 0 510.543 4.000 1 0 KIAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000001487605 561676053 /nfs/dbraw/zinc/67/60/53/561676053.db2.gz FUXIPODKBLQFAK-JOCHJYFZSA-N -1 0 542.411 4.157 1 0 KIAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)c4ncc[nH]4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000001490525 561676273 /nfs/dbraw/zinc/67/62/73/561676273.db2.gz IFDIAYNOLNAOOF-DEOSSOPVSA-N -1 0 532.622 4.228 1 0 KIAFRM COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc2)cc1 ZINC000001490839 561676310 /nfs/dbraw/zinc/67/63/10/561676310.db2.gz MFYYUKISGBGOGR-HNNXBMFYSA-N -1 0 557.568 4.109 1 0 KIAFRM CS(=O)(=O)c1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[n-]5)c4)c3C2=O)cc1 ZINC000001494451 561676498 /nfs/dbraw/zinc/67/64/98/561676498.db2.gz LOIQROHBNJYIKB-UHFFFAOYSA-N -1 0 594.575 4.243 1 0 in-vitro KIAFRM COc1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)[O-])c2)cc1 ZINC000001538974 561677013 /nfs/dbraw/zinc/67/70/13/561677013.db2.gz YZWXXRAPTRDWSY-UHFFFAOYSA-N -1 0 501.988 4.118 1 0 KIAFRM CCCSC1=NS(=O)(=O)c2ccc(C(=O)[O-])cc2N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001540846 561677102 /nfs/dbraw/zinc/67/71/02/561677102.db2.gz JMUSISPCFRMUKH-UHFFFAOYSA-N -1 0 534.623 4.440 1 0 KIAFRM O=C([O-])Cc1nn(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2Br)c(=O)c2ccccc12 ZINC000001544895 561677186 /nfs/dbraw/zinc/67/71/86/561677186.db2.gz TWZQVOWUSCAJDL-UHFFFAOYSA-N -1 0 552.225 4.462 1 0 KIAFRM CC(C)(c1nc(-c2ccccc2)c(C(=O)OCCCO)s1)c1c(Cl)cc(-n2ncc(=O)[n-]c2=O)cc1Cl ZINC000001550306 561677412 /nfs/dbraw/zinc/67/74/12/561677412.db2.gz LEYVZXFGECLXBO-UHFFFAOYSA-N -1 0 561.447 4.216 1 0 KIAFRM CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(-c3n[nH]c(=O)[n-]3)c2)c(F)c1 ZINC000001551487 561677507 /nfs/dbraw/zinc/67/75/07/561677507.db2.gz YIHPFOJBRPDMES-UHFFFAOYSA-N -1 0 586.527 4.431 1 0 in-vitro KIAFRM Cc1cc([N-]S(=O)(=O)c2ccc(NC(NC(=O)OC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nc(C)n1 ZINC000001644577 561678285 /nfs/dbraw/zinc/67/82/85/561678285.db2.gz BRGURBGUGHYAFY-UHFFFAOYSA-N -1 0 529.463 4.262 1 0 KIAFRM CCCC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)(C(F)(F)F)C(F)(F)F ZINC000001645397 561678312 /nfs/dbraw/zinc/67/83/12/561678312.db2.gz HJTYGWVWKUELMH-UHFFFAOYSA-N -1 0 513.464 4.043 1 0 KIAFRM O=c1c2cc(I)ccc2nc(SCc2n[n-]c(=S)o2)n1Cc1ccccc1 ZINC000001660376 561679059 /nfs/dbraw/zinc/67/90/59/561679059.db2.gz WSULZMQSOMZGIB-UHFFFAOYSA-N -1 0 508.366 4.013 1 0 KIAFRM O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2n[nH]c(=O)n2-c2ccccc2)c([S-])cc1Cl ZINC000001859564 561679622 /nfs/dbraw/zinc/67/96/22/561679622.db2.gz QOGBPNQGHFLSLT-UHFFFAOYSA-N -1 0 536.422 4.209 1 0 KIAFRM O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)Nc2n[nH]c(=O)n2-c2ccccc2)c([S-])cc1Cl ZINC000001859565 561679657 /nfs/dbraw/zinc/67/96/57/561679657.db2.gz WHIROKCOUIHCJZ-UHFFFAOYSA-N -1 0 536.422 4.209 1 0 KIAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3cccs3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000002002093 561680389 /nfs/dbraw/zinc/68/03/89/561680389.db2.gz URTNSLRZPSFZHX-UHFFFAOYSA-N -1 0 548.444 4.325 1 0 KIAFRM COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC(F)F)CC1 ZINC000003798716 561682490 /nfs/dbraw/zinc/68/24/90/561682490.db2.gz DHUNBQDZUVRCMJ-UHFFFAOYSA-N -1 0 503.477 4.110 1 0 KIAFRM Cc1[nH]c([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCCC2)nc1C(=O)[O-] ZINC000003811706 561682700 /nfs/dbraw/zinc/68/27/00/561682700.db2.gz KPIPNKHDLGRKHD-PKTZIBPZSA-N -1 0 522.650 4.344 1 0 KIAFRM O=C1[N-]C(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc(-c5ccc(F)cc5)co4)cc3)nc2)C(=O)N1 ZINC000003819268 561683179 /nfs/dbraw/zinc/68/31/79/561683179.db2.gz CLNPMAFVUZNDSG-UHFFFAOYSA-N -1 0 513.485 4.040 1 0 KIAFRM O=C1[N-]C(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc(-c5ccccc5F)co4)cc3)nc2)C(=O)N1 ZINC000003819269 561683118 /nfs/dbraw/zinc/68/31/18/561683118.db2.gz FJXIFRHJZMAZKQ-UHFFFAOYSA-N -1 0 513.485 4.040 1 0 KIAFRM O=C1[N-]C(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc(-c5cccc(F)c5)co4)cc3)nc2)C(=O)N1 ZINC000003819270 561683147 /nfs/dbraw/zinc/68/31/47/561683147.db2.gz ZCQYOSQRMKVFJH-UHFFFAOYSA-N -1 0 513.485 4.040 1 0 KIAFRM O=c1c2nc(Cc3ccc([N-]S(=O)(=O)c4cccc5cccnc54)cc3)[nH]c2n(CC2CC2)c(=O)n1Cc1ccccc1F ZINC000003838294 561683767 /nfs/dbraw/zinc/68/37/67/561683767.db2.gz CWFVSQWFCKBNHT-UHFFFAOYSA-N -1 0 610.671 4.424 1 0 KIAFRM CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(=O)[nH]2)ccc1C ZINC000003839188 561683869 /nfs/dbraw/zinc/68/38/69/561683869.db2.gz GAZAYHFWBIBZGV-UHFFFAOYSA-N -1 0 630.721 4.241 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000003842610 561683970 /nfs/dbraw/zinc/68/39/70/561683970.db2.gz JHZFXGLODCFMCY-QHCPKHFHSA-N -1 0 699.475 4.491 1 0 KIAFRM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000003916595 561684973 /nfs/dbraw/zinc/68/49/73/561684973.db2.gz ABJSNELGJPGPEZ-VQTJNVASSA-N -1 0 531.845 4.259 1 0 KIAFRM Cc1c(C)c(C(=O)OCC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(C)c(C)c1C(=O)[O-] ZINC000003918135 561685418 /nfs/dbraw/zinc/68/54/18/561685418.db2.gz FRWIHAGJDZJUAP-OZXSUGGESA-N -1 0 588.657 4.387 1 0 KIAFRM CNC(=O)NCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000003921751 561685804 /nfs/dbraw/zinc/68/58/04/561685804.db2.gz OFKDMFLFKUWHRQ-FQEVSTJZSA-N -1 0 549.455 4.237 1 0 KIAFRM CC(=O)NCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000003921753 561685780 /nfs/dbraw/zinc/68/57/80/561685780.db2.gz UDEOSPCGCDINCC-NRFANRHFSA-N -1 0 534.440 4.444 1 0 KIAFRM COCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccc5F)co4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000003926113 561686624 /nfs/dbraw/zinc/68/66/24/561686624.db2.gz GVNHCTDFGAQJEV-UHFFFAOYSA-N -1 0 531.496 4.460 1 0 KIAFRM COCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccc(F)cc5)co4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000003926115 561686635 /nfs/dbraw/zinc/68/66/35/561686635.db2.gz WQEWUDDCLBFKFR-UHFFFAOYSA-N -1 0 531.496 4.460 1 0 KIAFRM CCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccncc5)co4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000003926116 561686662 /nfs/dbraw/zinc/68/66/62/561686662.db2.gz ZCXHOQKYVQEPQH-UHFFFAOYSA-N -1 0 528.521 4.106 1 0 KIAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)[O-])CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC ZINC000003926380 561686809 /nfs/dbraw/zinc/68/68/09/561686809.db2.gz HDGUKVZPMPJBFK-LEAFIULHSA-N -1 0 603.112 4.300 1 0 KIAFRM CCN(CC)c1ncc(N(CC)S(=O)(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000003926618 561686803 /nfs/dbraw/zinc/68/68/03/561686803.db2.gz HLWJWYQXKPMJGU-VWLOTQADSA-N -1 0 628.727 4.380 1 0 KIAFRM CCN(CC)c1ncc(N(C)S(=O)(=O)c2ccc(F)cc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000003926641 561686807 /nfs/dbraw/zinc/68/68/07/561686807.db2.gz GYABJXLNGICIQV-QHCPKHFHSA-N -1 0 632.690 4.129 1 0 KIAFRM CCCc1nc(CN2CCN(c3ccccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003930671 561687352 /nfs/dbraw/zinc/68/73/52/561687352.db2.gz OVKNBWCRGBBTHM-UHFFFAOYSA-N -1 0 563.666 4.146 1 0 KIAFRM Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCCC2)nc1C(=O)[O-] ZINC000003935652 561688436 /nfs/dbraw/zinc/68/84/36/561688436.db2.gz QGQSORGTKDCUOS-PKTZIBPZSA-N -1 0 536.677 4.355 1 0 KIAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000003938889 561689004 /nfs/dbraw/zinc/68/90/04/561689004.db2.gz XDNAXXIOBHFZDQ-LMDBFNAASA-N -1 0 632.600 4.468 1 0 KIAFRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1)[C@@H](C)CC ZINC000003942096 561689435 /nfs/dbraw/zinc/68/94/35/561689435.db2.gz FYULQKSAMXDPLJ-LCRMXPIESA-N -1 0 610.777 4.419 1 0 KIAFRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C ZINC000003942097 561689436 /nfs/dbraw/zinc/68/94/36/561689436.db2.gz IFLIQLQVUMXNFU-IAPPQJPRSA-N -1 0 596.750 4.029 1 0 KIAFRM CCCc1nc(CC)c(C(=O)OCOC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003944533 561689796 /nfs/dbraw/zinc/68/97/96/561689796.db2.gz NRWKVVKXJGOVLA-UHFFFAOYSA-N -1 0 504.547 4.191 1 0 KIAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 ZINC000003947894 561690108 /nfs/dbraw/zinc/69/01/08/561690108.db2.gz YFWKDOFIHZMLHD-FOCFNIMDSA-N -1 0 631.538 4.385 1 0 KIAFRM COc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@@H](c1cn(C)c2cc(C(C)=O)ccc12)c1ccc2c(c1)OCO2 ZINC000003950684 561690377 /nfs/dbraw/zinc/69/03/77/561690377.db2.gz ZXSBLFBQTHAAHA-HHHXNRCGSA-N -1 0 534.590 4.064 1 0 KIAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2F)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000003953204 561690841 /nfs/dbraw/zinc/69/08/41/561690841.db2.gz PSXOEVBORKWADE-FKVSENEQSA-N -1 0 603.691 4.338 1 0 KIAFRM O=C([O-])C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(CC(F)(F)F)n1)c1ccc2c(c1)OCO2 ZINC000003961994 561691123 /nfs/dbraw/zinc/69/11/23/561691123.db2.gz JTQSBYUBJLIDAK-SFHVURJKSA-N -1 0 532.519 4.350 1 0 KIAFRM CN1CCc2nc(C(=O)Nc3cc(CC(=O)[O-])ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000003963201 561691318 /nfs/dbraw/zinc/69/13/18/561691318.db2.gz RJAINCFGQGYOGN-UHFFFAOYSA-N -1 0 524.002 4.397 1 0 KIAFRM CN1CCc2nc(C(=O)Nc3cc(OCC(=O)[O-])ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000003963202 561691303 /nfs/dbraw/zinc/69/13/03/561691303.db2.gz OBNVLLFTELTAFO-UHFFFAOYSA-N -1 0 540.001 4.234 1 0 KIAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000003964221 561691293 /nfs/dbraw/zinc/69/12/93/561691293.db2.gz CZIOOKWWYFKPEF-DEOSSOPVSA-N -1 0 508.619 4.036 1 0 KIAFRM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[N-]OCc1ccccc1 ZINC000003974120 561691784 /nfs/dbraw/zinc/69/17/84/561691784.db2.gz GWLFPJZWEPGKKN-CPCREDONSA-N -1 0 658.796 4.403 1 0 KIAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCOCC2)nc1OCCOC(=O)Nc1ccccn1 ZINC000003977732 561692064 /nfs/dbraw/zinc/69/20/64/561692064.db2.gz MXLGWPUNPPHJQC-UHFFFAOYSA-N -1 0 665.729 4.456 1 0 KIAFRM COCCCN(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000003981129 561692547 /nfs/dbraw/zinc/69/25/47/561692547.db2.gz GBTYEOLOCAQPPZ-MHZLTWQESA-N -1 0 620.703 4.396 1 0 KIAFRM COCCCN(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000003981131 561692529 /nfs/dbraw/zinc/69/25/29/561692529.db2.gz KAWWLMXURZRINX-NDEPHWFRSA-N -1 0 590.677 4.387 1 0 KIAFRM COCCCN(CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000003981137 561692548 /nfs/dbraw/zinc/69/25/48/561692548.db2.gz CLEAZBBIJLPKIP-MHZLTWQESA-N -1 0 560.651 4.379 1 0 KIAFRM CCCCCc1cc(O[C@@H]2OC(C)(C)[C@H](OC)[C@@H](OC(=O)c3ccc(C)[nH]3)[C@H]2O)c(C)c2oc(=O)c(C(=O)[O-])cc12 ZINC000003981633 561692545 /nfs/dbraw/zinc/69/25/45/561692545.db2.gz IZFGPOOTNACWDO-RUEQBBCHSA-N -1 0 571.623 4.284 1 0 KIAFRM CCOc1cc([C@@H](Nc2ccc3c(N)ncnc3c2)C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1OC(C)C ZINC000003986184 561692745 /nfs/dbraw/zinc/69/27/45/561692745.db2.gz RJZTYJLOIVIZST-RUZDIDTESA-N -1 0 535.626 4.056 1 0 KIAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(F)ccc(F)c3F)c3ccccc32)n1 ZINC000003990942 561693485 /nfs/dbraw/zinc/69/34/85/561693485.db2.gz NKONTEUZTOHVNH-OFSOJUDTSA-N -1 0 562.548 4.423 1 0 KIAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OC2CC2)cc1 ZINC000003992398 561693559 /nfs/dbraw/zinc/69/35/59/561693559.db2.gz UUXTZGJGBUBTBQ-RTWAWAEBSA-N -1 0 527.426 4.020 1 0 KIAFRM CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1c(F)cccc1Cl)C(C)C ZINC000003993752 561693659 /nfs/dbraw/zinc/69/36/59/561693659.db2.gz ONTIHFQUOFXRIF-FKAPRUDGSA-N -1 0 683.195 4.354 1 0 KIAFRM CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1 ZINC000005350757 561695668 /nfs/dbraw/zinc/69/56/68/561695668.db2.gz GFKJGXMLXPRSOS-PZEZGBRNSA-N -1 0 542.625 4.216 1 0 KIAFRM CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)C(F)(F)F ZINC000005579121 561696681 /nfs/dbraw/zinc/69/66/81/561696681.db2.gz ZKEMHJQBTVPBJU-OAQYLSRUSA-N -1 0 560.938 4.101 1 0 KIAFRM CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)(C(F)(F)F)C(F)(F)F ZINC000005729395 561697793 /nfs/dbraw/zinc/69/77/93/561697793.db2.gz SWWRFFGAPVQRMW-UHFFFAOYSA-N -1 0 515.436 4.037 1 0 KIAFRM 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561719061 /nfs/dbraw/zinc/71/90/61/561719061.db2.gz ACRASRSHYKPQFT-UHFFFAOYSA-N -1 0 504.543 4.069 1 0 KIAFRM COc1ccc(NC(=O)c2cc(NC(=O)CCC(=O)[O-])ccc2NC(=O)c2ccc(N(C)C)cc2)cc1 ZINC000013557992 561719058 /nfs/dbraw/zinc/71/90/58/561719058.db2.gz LAKLWBBCRZIHAA-UHFFFAOYSA-N -1 0 504.543 4.069 1 0 KIAFRM CCCCCCN1c2ccccc2[C@@](c2ccccc2)([C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])NCC1=O ZINC000013561034 561719872 /nfs/dbraw/zinc/71/98/72/561719872.db2.gz YNFUBOJUAKNKLF-UHSQPCAPSA-N -1 0 502.615 4.386 1 0 KIAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(CC3CCCCC3)c3ccccc32)n1 ZINC000013561037 561719889 /nfs/dbraw/zinc/71/98/89/561719889.db2.gz YTNUBEUYCFIHBS-OFSOJUDTSA-N -1 0 514.626 4.386 1 0 KIAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccccc3)c3ccccc32)n1 ZINC000013561045 561719827 /nfs/dbraw/zinc/71/98/27/561719827.db2.gz LZPJHRAWMATYTH-OFSOJUDTSA-N -1 0 508.578 4.006 1 0 KIAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(CCc3ccccc3)c3ccccc32)n1 ZINC000013561046 561719883 /nfs/dbraw/zinc/71/98/83/561719883.db2.gz JQAHCXASBUTBKC-MVSFAKPFSA-N -1 0 522.605 4.048 1 0 KIAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccccc3C)c3ccccc32)n1 ZINC000013561047 561719874 /nfs/dbraw/zinc/71/98/74/561719874.db2.gz ITICTHRGYDERJA-MVSFAKPFSA-N -1 0 522.605 4.314 1 0 KIAFRM Cc1cccc(CN2c3ccccc3[C@@](c3ccccc3)([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC2=O)c1 ZINC000013561048 561719864 /nfs/dbraw/zinc/71/98/64/561719864.db2.gz LZMBWESXCWUQBJ-MVSFAKPFSA-N -1 0 522.605 4.314 1 0 KIAFRM Cc1ccc(CN2c3ccccc3[C@@](c3ccccc3)([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC2=O)cc1 ZINC000013561049 561719841 /nfs/dbraw/zinc/71/98/41/561719841.db2.gz KRSWVPASAJDUGK-MVSFAKPFSA-N -1 0 522.605 4.314 1 0 KIAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CCCc2ccccc2)C(=O)[O-])cc1 ZINC000013587686 561720756 /nfs/dbraw/zinc/72/07/56/561720756.db2.gz PYLTWZXLMIVOSX-VWLOTQADSA-N -1 0 502.677 4.404 1 0 KIAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C(=O)[O-])cc1 ZINC000013587688 561720852 /nfs/dbraw/zinc/72/08/52/561720852.db2.gz KFUNJVIECLIQDL-SDHSZQHLSA-N -1 0 500.661 4.185 1 0 KIAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H]2C[C@@H]2c2ccccc2)C(=O)[O-])cc1 ZINC000013587689 561720865 /nfs/dbraw/zinc/72/08/65/561720865.db2.gz KFUNJVIECLIQDL-DSITVLBTSA-N -1 0 500.661 4.185 1 0 KIAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CSc2ccccc2)C(=O)[O-])cc1 ZINC000013587694 561720934 /nfs/dbraw/zinc/72/09/34/561720934.db2.gz FPCXMILVEIMFDV-QHCPKHFHSA-N -1 0 506.690 4.174 1 0 KIAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(C)Cc2ccccc2)C(=O)[O-])cc1 ZINC000013587698 561720863 /nfs/dbraw/zinc/72/08/63/561720863.db2.gz GXVFZTDCQPAGSZ-DEOSSOPVSA-N -1 0 503.665 4.107 1 0 KIAFRM [NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)[O-] ZINC000013600009 561721466 /nfs/dbraw/zinc/72/14/66/561721466.db2.gz UFLPIELGAQYNCT-DSITVLBTSA-N -1 0 516.575 4.178 1 0 KIAFRM [NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C(=O)[O-] ZINC000013600013 561721462 /nfs/dbraw/zinc/72/14/62/561721462.db2.gz UFLPIELGAQYNCT-SDHOMARFSA-N -1 0 516.575 4.178 1 0 KIAFRM [NH3+]CCCC[C@H](O[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1C[C@@H](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000013600017 561721480 /nfs/dbraw/zinc/72/14/80/561721480.db2.gz JHACRDJKRXAJTL-GSDHBNRESA-N -1 0 530.602 4.253 1 0 KIAFRM CS(=O)(=O)N1CCN(C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc2)CC1 ZINC000013646572 561722659 /nfs/dbraw/zinc/72/26/59/561722659.db2.gz CINUYJKAROEXOH-UHFFFAOYSA-N -1 0 523.655 4.158 1 0 KIAFRM CS(=O)(=O)N1CCN(C(=O)Cn2c3ccc(C(=O)[O-])cc3c(C3CCCCC3)c2-c2ccccc2)CC1 ZINC000013646614 561722745 /nfs/dbraw/zinc/72/27/45/561722745.db2.gz GZQGYBFSSBVAFA-UHFFFAOYSA-N -1 0 523.655 4.158 1 0 KIAFRM COc1cc2c(c(OC)c1OC)-c1ccc(NCC(F)(F)F)c(=O)cc1[C@@H]([N-]C(=O)C(F)(F)F)CC2 ZINC000013650185 561723038 /nfs/dbraw/zinc/72/30/38/561723038.db2.gz CHJNSPVPBHTKDH-AWEZNQCLSA-N -1 0 520.426 4.380 1 0 KIAFRM COc1cnn(C(C)(C)C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000013704586 561724924 /nfs/dbraw/zinc/72/49/24/561724924.db2.gz REHPALZXYSKONM-SFHVURJKSA-N -1 0 518.397 4.406 1 0 KIAFRM COc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)[O-])c3cccnc3)cc2)cc1OC ZINC000013733192 561725410 /nfs/dbraw/zinc/72/54/10/561725410.db2.gz BQWHVCQNBBFWPH-HCBMXOAHSA-N -1 0 510.612 4.306 1 0 KIAFRM O=C([O-])CCCNC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000013745227 561726627 /nfs/dbraw/zinc/72/66/27/561726627.db2.gz VLZZRQBPFRQMMA-HXUWFJFHSA-N -1 0 526.461 4.036 1 0 KIAFRM Cc1[nH]c([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000013746788 561726862 /nfs/dbraw/zinc/72/68/62/561726862.db2.gz LKYMBBACLCTFOZ-PKTZIBPZSA-N -1 0 522.650 4.298 1 0 KIAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCC2)nc1C(=O)[O-] ZINC000013746801 561726837 /nfs/dbraw/zinc/72/68/37/561726837.db2.gz PNGMJLBWDFGXTE-FCHUYYIVSA-N -1 0 523.634 4.229 1 0 KIAFRM CC(C)(C)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000013760928 561727591 /nfs/dbraw/zinc/72/75/91/561727591.db2.gz WFNOPNJYCVFERE-RUZDIDTESA-N -1 0 512.566 4.332 1 0 KIAFRM CC(C)(C)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000013760929 561727624 /nfs/dbraw/zinc/72/76/24/561727624.db2.gz WFNOPNJYCVFERE-VWLOTQADSA-N -1 0 512.566 4.332 1 0 KIAFRM NC(=O)c1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761661 561727874 /nfs/dbraw/zinc/72/78/74/561727874.db2.gz BYLKXTBRJNXJAX-XMMPIXPASA-N -1 0 522.623 4.446 1 0 KIAFRM NC(=O)c1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761662 561727981 /nfs/dbraw/zinc/72/79/81/561727981.db2.gz BYLKXTBRJNXJAX-DEOSSOPVSA-N -1 0 522.623 4.446 1 0 KIAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCN3CCOCC3)co2)cc1)c1cccnc1 ZINC000013782524 561729695 /nfs/dbraw/zinc/72/96/95/561729695.db2.gz OAIFYHJQVYBYOE-JRXWSOMVSA-N -1 0 518.614 4.265 1 0 KIAFRM COC(=O)Cc1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Cl)c1C ZINC000013801641 561730666 /nfs/dbraw/zinc/73/06/66/561730666.db2.gz MPISRONDRZOMDE-UHFFFAOYSA-N -1 0 512.009 4.392 1 0 KIAFRM Cc1cc(C)c(NC(=O)[C@H](CC(=O)[O-])NC(=O)c2ccc3c(cnn3CCCNc3ccccn3)c2)c(C)c1 ZINC000013803653 561731158 /nfs/dbraw/zinc/73/11/58/561731158.db2.gz GZANBCNEMWBMBU-QHCPKHFHSA-N -1 0 528.613 4.071 1 0 KIAFRM O=C(NCc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc2c(=O)cc(-c3nnn[n-]3)oc12 ZINC000013804810 561731309 /nfs/dbraw/zinc/73/13/09/561731309.db2.gz CHNHDJKUMQWGKG-UHFFFAOYSA-N -1 0 504.506 4.030 1 0 KIAFRM Cc1ccc([C@@H]([NH3+])[P@](=O)([O-])C[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)c1 ZINC000013807068 561731495 /nfs/dbraw/zinc/73/14/95/561731495.db2.gz LQCMSKDPCGDUHN-AFESJLNVSA-N -1 0 508.555 4.202 1 0 KIAFRM Cc1ccc([C@H]([NH3+])[P@](=O)([O-])C[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)c1 ZINC000013807071 561731461 /nfs/dbraw/zinc/73/14/61/561731461.db2.gz LQCMSKDPCGDUHN-DMTNHVFBSA-N -1 0 508.555 4.202 1 0 KIAFRM CCCc1nc(-n2ccc(C(=O)OC)c2C)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832366 561733540 /nfs/dbraw/zinc/73/35/40/561733540.db2.gz SXYRDTDYAGNOKJ-UHFFFAOYSA-N -1 0 525.569 4.315 1 0 KIAFRM CCCc1nc(-n2ccc(C(=O)OCC)c2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832368 561733534 /nfs/dbraw/zinc/73/35/34/561733534.db2.gz BAUJMDSWITVVGY-UHFFFAOYSA-N -1 0 525.569 4.397 1 0 KIAFRM CCCCc1nn(Cc2ccccc2C(=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832704 561733664 /nfs/dbraw/zinc/73/36/64/561733664.db2.gz DCKMEXKESDPYIN-UHFFFAOYSA-N -1 0 509.570 4.029 1 0 KIAFRM COc1ccc(C[C@@H]2CCCc3c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])n(-c4ccc(F)cc4)nc32)cc1OC ZINC000013834008 561733917 /nfs/dbraw/zinc/73/39/17/561733917.db2.gz HLXREABKMCZJRD-DKXDOGAMSA-N -1 0 524.589 4.291 1 0 KIAFRM COc1ccc(C[C@H]2CCCc3c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])n(-c4ccc(F)cc4)nc32)cc1OC ZINC000013834009 561733999 /nfs/dbraw/zinc/73/39/99/561733999.db2.gz HLXREABKMCZJRD-FOHPMHAUSA-N -1 0 524.589 4.291 1 0 KIAFRM COc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@H](c1cn(C)c2cc(F)ccc12)c1ccc2c(c1)OCO2 ZINC000013911488 561735723 /nfs/dbraw/zinc/73/57/23/561735723.db2.gz ZLSUWQHIYSFEQP-VWLOTQADSA-N -1 0 510.543 4.000 1 0 KIAFRM Nc1ccc(C[C@@H](C(=O)[O-])c2cn(C[C@@H]3CCCN(C(=O)C(c4ccccc4)c4ccccc4)C3)cn2)cn1 ZINC000013985384 561736164 /nfs/dbraw/zinc/73/61/64/561736164.db2.gz HXXCJSGIRMLZRA-JYFHCDHNSA-N -1 0 523.637 4.342 1 0 KIAFRM Nc1ccc(C[C@H](C(=O)[O-])c2cn(C[C@@H]3CCCN(C(=O)C(c4ccccc4)c4ccccc4)C3)cn2)cn1 ZINC000013985389 561736147 /nfs/dbraw/zinc/73/61/47/561736147.db2.gz HXXCJSGIRMLZRA-OZXSUGGESA-N -1 0 523.637 4.342 1 0 KIAFRM Nc1ccc(C[C@H](C(=O)[O-])c2cn(C[C@H]3CCCN(C(=O)C(c4ccccc4)c4ccccc4)C3)cn2)cn1 ZINC000013985394 561736111 /nfs/dbraw/zinc/73/61/11/561736111.db2.gz HXXCJSGIRMLZRA-BVAGGSTKSA-N -1 0 523.637 4.342 1 0 KIAFRM Nc1ccc(C[C@@H](C(=O)[O-])c2cn(C[C@H]3CCCN(C(=O)C(c4ccccc4)c4ccccc4)C3)cn2)cn1 ZINC000013999549 561736120 /nfs/dbraw/zinc/73/61/20/561736120.db2.gz HXXCJSGIRMLZRA-ZEQKJWHPSA-N -1 0 523.637 4.342 1 0 KIAFRM COc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@H](c1cn(C)c2cc(C(C)=O)ccc12)c1ccc2c(c1)OCO2 ZINC000014096224 561736462 /nfs/dbraw/zinc/73/64/62/561736462.db2.gz ZXSBLFBQTHAAHA-MHZLTWQESA-N -1 0 534.590 4.064 1 0 KIAFRM CC1(C)[C@H]2C[C@@H]1CC[C@H]2NC(=O)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[n-]c3=O)cc2Cl)ccc1O ZINC000014140256 581093150 /nfs/dbraw/zinc/09/31/50/581093150.db2.gz VLJGQKSFQGNOAP-XGINMYPSSA-N -1 0 531.396 4.280 1 0 KIAFRM CC1(C)[C@H]2C[C@@H]1CC[C@@H]2NC(=O)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[n-]c3=O)cc2Cl)ccc1O ZINC000014140258 581093034 /nfs/dbraw/zinc/09/30/34/581093034.db2.gz VLJGQKSFQGNOAP-UVIMBBFXSA-N -1 0 531.396 4.280 1 0 KIAFRM O=C([O-])C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(CC(F)(F)F)n1)c1ccc2c(c1)OCO2 ZINC000014191370 561737470 /nfs/dbraw/zinc/73/74/70/561737470.db2.gz JTQSBYUBJLIDAK-GOSISDBHSA-N -1 0 532.519 4.350 1 0 KIAFRM CCOc1cc([C@H](Nc2ccc3c(N)ncnc3c2)C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1OC(C)C ZINC000014191608 561737625 /nfs/dbraw/zinc/73/76/25/561737625.db2.gz RJZTYJLOIVIZST-VWLOTQADSA-N -1 0 535.626 4.056 1 0 KIAFRM CNS(=O)(=O)c1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C ZINC000014208925 561737727 /nfs/dbraw/zinc/73/77/27/561737727.db2.gz IBOSEKWSKZSPPO-FGZHOGPDSA-N -1 0 550.624 4.109 1 0 KIAFRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C ZINC000014293979 561739324 /nfs/dbraw/zinc/73/93/24/561739324.db2.gz IFLIQLQVUMXNFU-XCZPVHLTSA-N -1 0 596.750 4.029 1 0 KIAFRM COc1ccc(C2=NN([C@@H](C(=O)[N-]S(=O)(=O)c3ccc(C(C)C)cc3)c3ccc4c(c3)OCO4)C(=O)CC2)cc1 ZINC000014300097 561739576 /nfs/dbraw/zinc/73/95/76/561739576.db2.gz KKUYLAMKFDIGAU-MUUNZHRXSA-N -1 0 563.632 4.120 1 0 KIAFRM COc1ccc(C2=NN([C@H](C(=O)[N-]S(=O)(=O)c3ccc(C(C)C)cc3)c3ccc4c(c3)OCO4)C(=O)CC2)cc1OC ZINC000014300099 561739562 /nfs/dbraw/zinc/73/95/62/561739562.db2.gz NLGVXHHYPGBQPR-LJAQVGFWSA-N -1 0 593.658 4.129 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)c1ccc(C[NH2+]Cc2ccc(O)c(C(=O)[O-])c2)s1)C(=O)CSCc1ccccc1Cl ZINC000014942813 561740281 /nfs/dbraw/zinc/74/02/81/561740281.db2.gz AZTLWCKQYIECGA-FQEVSTJZSA-N -1 0 577.080 4.171 1 0 KIAFRM Cc1ccc(S(=O)(=O)NCCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946759 561744358 /nfs/dbraw/zinc/74/43/58/561744358.db2.gz WIACKTUQKMCUJV-SANMLTNESA-N -1 0 522.623 4.436 1 0 KIAFRM Cc1ccc(S(=O)(=O)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946760 561744337 /nfs/dbraw/zinc/74/43/37/561744337.db2.gz CFFKOFOLKHKTEU-VWLOTQADSA-N -1 0 508.596 4.045 1 0 KIAFRM Cc1ccc(S(=O)(=O)N[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946762 561744328 /nfs/dbraw/zinc/74/43/28/561744328.db2.gz PJBIVWIZBLVMGG-SANMLTNESA-N -1 0 522.623 4.436 1 0 KIAFRM CC(C)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1 ZINC000014947380 561744779 /nfs/dbraw/zinc/74/47/79/561744779.db2.gz IBUIGAOZEYCWCZ-UGKGYDQZSA-N -1 0 614.356 4.428 1 0 KIAFRM COc1cccc2sc(N[C@@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)c3nc4ccccc4[nH]3)nc21 ZINC000014952807 561746387 /nfs/dbraw/zinc/74/63/87/561746387.db2.gz YXMIQQYKUVRJOM-UGKGYDQZSA-N -1 0 533.635 4.468 1 0 KIAFRM COc1ccc2nc(N[C@@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)c3nc4ccccc4[nH]3)sc2c1 ZINC000014952847 561746496 /nfs/dbraw/zinc/74/64/96/561746496.db2.gz AGLPLQLLRCCZOB-GMAHTHKFSA-N -1 0 533.635 4.468 1 0 KIAFRM O=C(CCc1ccccc1)N[C@@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)c1nc2ccccc2[nH]1 ZINC000014952912 561746469 /nfs/dbraw/zinc/74/64/69/561746469.db2.gz DTEPHJQDHYIEHC-ZEQRLZLVSA-N -1 0 502.596 4.327 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014953008 561746497 /nfs/dbraw/zinc/74/64/97/561746497.db2.gz JIMINBGQNCMUIO-UNMCSNQZSA-N -1 0 545.042 4.210 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014953014 561746484 /nfs/dbraw/zinc/74/64/84/561746484.db2.gz JIMINBGQNCMUIO-RBBKRZOGSA-N -1 0 545.042 4.210 1 0 KIAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc(OC(F)F)c4)c3O)nc2c1 ZINC000014956944 561747795 /nfs/dbraw/zinc/74/77/95/561747795.db2.gz ZGOLRRUGSXSCCK-MRXNPFEDSA-N -1 0 510.453 4.131 1 0 KIAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccc(OC(F)F)c4)c3O)nc2c1 ZINC000014956947 561747697 /nfs/dbraw/zinc/74/76/97/561747697.db2.gz ZGOLRRUGSXSCCK-INIZCTEOSA-N -1 0 510.453 4.131 1 0 KIAFRM CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)C[C@@H](CC)C(=O)NCCCC(=O)[O-])c1 ZINC000014962127 561748730 /nfs/dbraw/zinc/74/87/30/561748730.db2.gz UNMRHLWSLAAHOI-WWEDSPNTSA-N -1 0 603.707 4.326 1 0 KIAFRM CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)CN(Cc2cncs2)Cc2ccccc2)CC1)C(=O)[O-] ZINC000014963987 561749330 /nfs/dbraw/zinc/74/93/30/561749330.db2.gz CEKADIOTDWYKGE-NDEPHWFRSA-N -1 0 592.787 4.462 1 0 KIAFRM CC(C)(C)OC(=O)NCCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964462 561749300 /nfs/dbraw/zinc/74/93/00/561749300.db2.gz MBLGEKUGKQDUMO-UHFFFAOYSA-N -1 0 503.621 4.391 1 0 KIAFRM O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2NC(=O)NCCC[NH+]2CCCCC2)ccc2c1CCCC2 ZINC000014964718 561749468 /nfs/dbraw/zinc/74/94/68/561749468.db2.gz SKNTVGOLYAJKMR-UHFFFAOYSA-N -1 0 514.648 4.062 1 0 KIAFRM CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964816 561749471 /nfs/dbraw/zinc/74/94/71/561749471.db2.gz HGFJNKOCELSVSH-GOSISDBHSA-N -1 0 533.666 4.444 1 0 KIAFRM CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964821 561749554 /nfs/dbraw/zinc/74/95/54/561749554.db2.gz HGFJNKOCELSVSH-SFHVURJKSA-N -1 0 533.666 4.444 1 0 KIAFRM CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964827 561749451 /nfs/dbraw/zinc/74/94/51/561749451.db2.gz DUDJCEJFMZMHHZ-LJQANCHMSA-N -1 0 515.676 4.305 1 0 KIAFRM CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964830 561749526 /nfs/dbraw/zinc/74/95/26/561749526.db2.gz DUDJCEJFMZMHHZ-IBGZPJMESA-N -1 0 515.676 4.305 1 0 KIAFRM COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCC(=O)[O-])CCC3)cc1 ZINC000014966567 561749989 /nfs/dbraw/zinc/74/99/89/561749989.db2.gz FMXZUNZJIFSWPW-MUUNZHRXSA-N -1 0 603.716 4.292 1 0 KIAFRM CCNC(=O)c1c(-c2ccccn2)c(-c2ccc(F)cc2)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n1C(C)C ZINC000014967811 561750246 /nfs/dbraw/zinc/75/02/46/561750246.db2.gz RZGLXXTZOCSIRX-NHCUHLMSSA-N -1 0 511.594 4.206 1 0 KIAFRM CCn1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc(OC)cc1 ZINC000014967836 561750339 /nfs/dbraw/zinc/75/03/39/561750339.db2.gz SNPGLSNUWCOZAS-DHIUTWEWSA-N -1 0 526.605 4.080 1 0 KIAFRM CC(C)c1c(C(=O)N(C)Cc2cccc(Cl)c2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967917 561750324 /nfs/dbraw/zinc/75/03/24/561750324.db2.gz QPHWZVSPNVFKJH-YADHBBJMSA-N -1 0 548.011 4.026 1 0 KIAFRM CC(C)c1c(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967926 561750343 /nfs/dbraw/zinc/75/03/43/561750343.db2.gz SLNMZDOWFGQVRY-YADHBBJMSA-N -1 0 581.563 4.391 1 0 KIAFRM CC(C)c1c(C(=O)N2CCC[C@@H]2c2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967969 561750426 /nfs/dbraw/zinc/75/04/26/561750426.db2.gz VSKOZURXNCTEIB-TZRRMPRUSA-N -1 0 539.604 4.078 1 0 KIAFRM CC(C)c1c(C(=O)N2CCC[C@H]2c2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967973 561750462 /nfs/dbraw/zinc/75/04/62/561750462.db2.gz VSKOZURXNCTEIB-SGNDLWITSA-N -1 0 539.604 4.078 1 0 KIAFRM CC(C)c1c(C(=O)N2CCC[C@H](c3ccccc3)C2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014967988 561750484 /nfs/dbraw/zinc/75/04/84/561750484.db2.gz IOHTZUKUZYDMQM-GPUOULLFSA-N -1 0 553.631 4.120 1 0 KIAFRM CC(C)c1c(C(=O)N(C)Cc2cccc(F)c2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014968012 561750482 /nfs/dbraw/zinc/75/04/82/561750482.db2.gz OQAJLGZZINRLJK-DHIUTWEWSA-N -1 0 529.584 4.065 1 0 KIAFRM COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](CC(=O)[O-])CN2CCc3cc(F)ccc32)c1 ZINC000014971553 561751195 /nfs/dbraw/zinc/75/11/95/561751195.db2.gz FDENHLZVJJPOHM-AHWVRZQESA-N -1 0 539.648 4.315 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 ZINC000014972049 561751427 /nfs/dbraw/zinc/75/14/27/561751427.db2.gz INQLGDGUTMTJDV-BHDXBOSCSA-N -1 0 603.631 4.451 1 0 KIAFRM C[C@H](NC(=O)O[C@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 ZINC000014972262 561751459 /nfs/dbraw/zinc/75/14/59/561751459.db2.gz KCXVQPRWXYAYNA-HTAPYJJXSA-N -1 0 581.617 4.041 1 0 KIAFRM CCN(Cc1ccccc1)C(=O)c1nn(-c2ccc(F)cc2)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C ZINC000014974344 561751951 /nfs/dbraw/zinc/75/19/51/561751951.db2.gz OTMXXXNXTHWXTC-DNQXCXABSA-N -1 0 525.621 4.316 1 0 KIAFRM Cc1cccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1 ZINC000014974353 561752036 /nfs/dbraw/zinc/75/20/36/561752036.db2.gz GIAAXDOFERLIMT-DNQXCXABSA-N -1 0 525.621 4.235 1 0 KIAFRM Cc1ccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc1 ZINC000014974356 561752015 /nfs/dbraw/zinc/75/20/15/561752015.db2.gz AALVMKWOJQCVKH-DNQXCXABSA-N -1 0 525.621 4.235 1 0 KIAFRM CC(C)c1c(C(=O)N(C)Cc2ccccc2F)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974363 561751957 /nfs/dbraw/zinc/75/19/57/561751957.db2.gz CWNFWNFUXTYABU-FGZHOGPDSA-N -1 0 529.584 4.065 1 0 KIAFRM CC(C)c1c(C(=O)N(C)Cc2ccc(F)cc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974365 561752166 /nfs/dbraw/zinc/75/21/66/561752166.db2.gz DBVKNXVHMHULLN-DHIUTWEWSA-N -1 0 529.584 4.065 1 0 KIAFRM CC(C)c1c(C(=O)N(C)Cc2ccc(F)cc2F)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974368 561752153 /nfs/dbraw/zinc/75/21/53/561752153.db2.gz RPWLMFICBLJVLA-FGZHOGPDSA-N -1 0 547.574 4.204 1 0 KIAFRM CC(C)c1c(C(=O)N(C)Cc2cccc(F)c2F)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974370 561752115 /nfs/dbraw/zinc/75/21/15/561752115.db2.gz ZPCFNXVGMRHCCF-NHCUHLMSSA-N -1 0 547.574 4.204 1 0 KIAFRM CC(C)c1c(C(=O)N(C)[C@H](C)c2ccccc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974373 561752137 /nfs/dbraw/zinc/75/21/37/561752137.db2.gz MPDDTAJMJCESGV-CTUHWIOQSA-N -1 0 525.621 4.487 1 0 in-vitro KIAFRM CC(C)c1c(C(=O)N(C)[C@@H](C)c2ccccc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974376 561752095 /nfs/dbraw/zinc/75/20/95/561752095.db2.gz MPDDTAJMJCESGV-WUMKDDEVSA-N -1 0 525.621 4.487 1 0 KIAFRM FC(F)(F)c1cc(COC[C@H](c2ccccc2)N2CCN(Cc3nnn[n-]3)CC2)cc(C(F)(F)F)c1 ZINC000022926990 561759759 /nfs/dbraw/zinc/75/97/59/561759759.db2.gz QUARZWNHDPZJSZ-HXUWFJFHSA-N -1 0 514.474 4.313 1 0 KIAFRM FC(F)(F)c1cc(COC[C@@H](c2ccccc2)N2CCN(Cc3nnn[n-]3)CC2)cc(C(F)(F)F)c1 ZINC000022926995 561759703 /nfs/dbraw/zinc/75/97/03/561759703.db2.gz QUARZWNHDPZJSZ-FQEVSTJZSA-N -1 0 514.474 4.313 1 0 KIAFRM O=C([O-])COc1c(Br)c(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)sc1-c1nn[nH]n1 ZINC000024926382 561762609 /nfs/dbraw/zinc/76/26/09/561762609.db2.gz XUNHAAXAXQCMHA-UHFFFAOYSA-N -1 0 633.550 4.227 1 0 in-vitro KIAFRM CC(C)c1c(S(=O)(=O)N2CCOCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000024963177 561762605 /nfs/dbraw/zinc/76/26/05/561762605.db2.gz XLVZRBHNHHAPDT-JWQCQUIFSA-N -1 0 588.698 4.082 1 0 in-vitro KIAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025991432 561764793 /nfs/dbraw/zinc/76/47/93/561764793.db2.gz PLLLIPJQFJENRC-MVERNJQCSA-N -1 0 573.756 4.108 1 0 KIAFRM O=C(Nc1ccc(OCCCCCCCn2cnnn2)cc1)C1=C([O-])CN(c2ccc(Cl)cc2)C1=O ZINC000026010662 561765830 /nfs/dbraw/zinc/76/58/30/561765830.db2.gz SXGJFXLBBNEVTF-UHFFFAOYSA-N -1 0 510.982 4.153 1 0 KIAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1nnnc1-c1ccccc1 ZINC000026023699 561766774 /nfs/dbraw/zinc/76/67/74/561766774.db2.gz CVYRNBSTOXDXMA-NVECHQRWSA-N -1 0 518.520 4.178 1 0 KIAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(NS(C)(=O)=O)c2C)c1Cl ZINC000026155068 561768058 /nfs/dbraw/zinc/76/80/58/561768058.db2.gz IJCHKGOFLOPSKC-UHFFFAOYSA-N -1 0 533.053 4.048 1 0 KIAFRM COc1ccc(-c2cccc(NC(=O)CNC(=O)c3ccccc3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026169924 561769788 /nfs/dbraw/zinc/76/97/88/561769788.db2.gz RPCYJOOAAPVVEB-SANMLTNESA-N -1 0 587.654 4.225 1 0 KIAFRM COc1ccc(-c2cccc(NC(=O)CNC(=O)c3ccccc3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000026169928 561769785 /nfs/dbraw/zinc/76/97/85/561769785.db2.gz RPCYJOOAAPVVEB-AREMUKBSSA-N -1 0 587.654 4.225 1 0 KIAFRM COc1ccc(-c2cccc(NC(=O)N=c3[nH]c4ccccc4[nH]3)c2)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000026172108 561770151 /nfs/dbraw/zinc/77/01/51/561770151.db2.gz KVRPRPHFOUEQDN-VWLOTQADSA-N -1 0 585.642 4.279 1 0 KIAFRM COc1ccc([N-]S(=O)(=O)c2c(F)c(Br)cc(F)c2Br)cc1N1CCN(C)CC1 ZINC000026178805 561771282 /nfs/dbraw/zinc/77/12/82/561771282.db2.gz LXHVNXMVOAXVPC-UHFFFAOYSA-N -1 0 555.239 4.051 1 0 KIAFRM COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCC(=O)[O-])c2)cc1 ZINC000026268017 561776620 /nfs/dbraw/zinc/77/66/20/561776620.db2.gz YOUSJXJDRAULJM-WJOKGBTCSA-N -1 0 578.570 4.083 1 0 KIAFRM COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCC(=O)[O-])c2)cc1 ZINC000026268024 561776663 /nfs/dbraw/zinc/77/66/63/561776663.db2.gz YOUSJXJDRAULJM-HKBQPEDESA-N -1 0 578.570 4.083 1 0 KIAFRM COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCCC(=O)[O-])c2)cc1 ZINC000026270088 561776992 /nfs/dbraw/zinc/77/69/92/561776992.db2.gz PHPQCIBIIVOPOY-JGCGQSQUSA-N -1 0 592.597 4.473 1 0 KIAFRM COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCCC(=O)[O-])c2)cc1 ZINC000026270094 561777142 /nfs/dbraw/zinc/77/71/42/561777142.db2.gz PHPQCIBIIVOPOY-YTTGMZPUSA-N -1 0 592.597 4.473 1 0 KIAFRM COc1cccc(N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)[O-])c1 ZINC000026277712 561778627 /nfs/dbraw/zinc/77/86/27/561778627.db2.gz GMXTVNCMABOSEI-ZEQRLZLVSA-N -1 0 504.583 4.160 1 0 KIAFRM O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)CC2CCCC2)c(F)c1 ZINC000026282043 561779131 /nfs/dbraw/zinc/77/91/31/561779131.db2.gz URIRATDDHUCKET-NYMACZPPSA-N -1 0 605.629 4.427 1 0 KIAFRM CC(C)COC(=O)N[C@H](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)C(C)C ZINC000026282506 561779252 /nfs/dbraw/zinc/77/92/52/561779252.db2.gz AMZZGYSKKBGEAC-NLALRGLNSA-N -1 0 694.723 4.253 1 0 KIAFRM 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)OCCc1ccc(F)cc1)C(=O)[O-] ZINC000026284804 561779557 /nfs/dbraw/zinc/77/95/57/561779557.db2.gz SYCQUUKDUURNCR-OZNIXHKMSA-N -1 0 654.736 4.019 1 0 KIAFRM COc1cccc(OC)c1-c1ccc(C[C@@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)C(=O)[O-])cc1 ZINC000026286295 561779747 /nfs/dbraw/zinc/77/97/47/561779747.db2.gz ASYDYYRPDBLCFU-HSZRJFAPSA-N -1 0 537.634 4.269 1 0 KIAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)C(=O)[O-])cc1 ZINC000026286300 561779737 /nfs/dbraw/zinc/77/97/37/561779737.db2.gz ASYDYYRPDBLCFU-QHCPKHFHSA-N -1 0 537.634 4.269 1 0 KIAFRM 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)OCCc1ccccc1F ZINC000026287586 561780055 /nfs/dbraw/zinc/78/00/55/561780055.db2.gz MYDJCRCAJRCCDO-KCHLEUMXSA-N -1 0 654.736 4.019 1 0 KIAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(-c2ncccn2)nc1OCCOC(=O)Nc1ccccn1 ZINC000026289674 561780329 /nfs/dbraw/zinc/78/03/29/561780329.db2.gz YDIGUOCUKLHGNZ-UHFFFAOYSA-N -1 0 630.643 4.261 1 0 KIAFRM CCCc1nc(CNC(=O)OC(C)(C)C)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026290100 561780468 /nfs/dbraw/zinc/78/04/68/561780468.db2.gz CLEHJTRAGJJQHS-UHFFFAOYSA-N -1 0 517.590 4.454 1 0 KIAFRM 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)OCCc1ccc(F)cc1 ZINC000026294101 561781210 /nfs/dbraw/zinc/78/12/10/561781210.db2.gz ONNVSGKHTWFVJG-KCHLEUMXSA-N -1 0 654.736 4.019 1 0 KIAFRM CCCc1nc(CN2CCN(C(=O)c3ccccc3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026294312 561781157 /nfs/dbraw/zinc/78/11/57/561781157.db2.gz PBWQZPAURAFUFL-UHFFFAOYSA-N -1 0 590.688 4.387 1 0 KIAFRM CCCc1nc(CN2CCN(c3ccccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1F ZINC000026296593 561781640 /nfs/dbraw/zinc/78/16/40/561781640.db2.gz YXTFWWJTCDDZKP-UHFFFAOYSA-N -1 0 581.656 4.286 1 0 KIAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026382836 561783667 /nfs/dbraw/zinc/78/36/67/561783667.db2.gz PALKXFSSVDMBNG-VXKWHMMOSA-N -1 0 593.485 4.253 1 0 KIAFRM CSCC[C@@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026385995 561784364 /nfs/dbraw/zinc/78/43/64/561784364.db2.gz GRBBTKDQISANRY-LGTGVMGWSA-N -1 0 601.814 4.213 1 0 KIAFRM CSCC[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026385999 561784391 /nfs/dbraw/zinc/78/43/91/561784391.db2.gz GRBBTKDQISANRY-VYZHEGBNSA-N -1 0 601.814 4.213 1 0 KIAFRM CSCC[C@@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026386003 561784374 /nfs/dbraw/zinc/78/43/74/561784374.db2.gz GRBBTKDQISANRY-PCWYVQTFSA-N -1 0 601.814 4.213 1 0 KIAFRM CSCC[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026386007 561784392 /nfs/dbraw/zinc/78/43/92/561784392.db2.gz GRBBTKDQISANRY-SMYQMEHISA-N -1 0 601.814 4.213 1 0 KIAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026387521 561784828 /nfs/dbraw/zinc/78/48/28/561784828.db2.gz XDNAXXIOBHFZDQ-PKWKGPSUSA-N -1 0 632.600 4.468 1 0 KIAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026387526 561784830 /nfs/dbraw/zinc/78/48/30/561784830.db2.gz XDNAXXIOBHFZDQ-MRMVSFONSA-N -1 0 632.600 4.468 1 0 KIAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026387530 561784781 /nfs/dbraw/zinc/78/47/81/561784781.db2.gz XDNAXXIOBHFZDQ-JPZJNAJWSA-N -1 0 632.600 4.468 1 0 KIAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026387535 561784788 /nfs/dbraw/zinc/78/47/88/561784788.db2.gz KGSLLTOGYJXLSK-LMDBFNAASA-N -1 0 588.149 4.359 1 0 KIAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026387539 561784813 /nfs/dbraw/zinc/78/48/13/561784813.db2.gz KGSLLTOGYJXLSK-PKWKGPSUSA-N -1 0 588.149 4.359 1 0 KIAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026387543 561784760 /nfs/dbraw/zinc/78/47/60/561784760.db2.gz KGSLLTOGYJXLSK-MRMVSFONSA-N -1 0 588.149 4.359 1 0 KIAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CC1)C(=O)[O-] ZINC000026387547 561784811 /nfs/dbraw/zinc/78/48/11/561784811.db2.gz KGSLLTOGYJXLSK-JPZJNAJWSA-N -1 0 588.149 4.359 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl ZINC000026388661 561785118 /nfs/dbraw/zinc/78/51/18/561785118.db2.gz GJAJEQFOLCMRCS-INIZCTEOSA-N -1 0 502.734 4.071 1 0 KIAFRM NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(=O)[O-])cc1 ZINC000026393028 561786240 /nfs/dbraw/zinc/78/62/40/561786240.db2.gz LMZDADMPZWYRMS-SQHAQQRYSA-N -1 0 606.185 4.215 1 0 KIAFRM CCCC[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-] ZINC000026400127 561788064 /nfs/dbraw/zinc/78/80/64/561788064.db2.gz AVDKZALHMMWCNH-GKKZMGOBSA-N -1 0 567.731 4.014 1 0 KIAFRM CCCC[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-] ZINC000026400132 561788079 /nfs/dbraw/zinc/78/80/79/561788079.db2.gz AVDKZALHMMWCNH-SCXHKNQNSA-N -1 0 567.731 4.014 1 0 KIAFRM CCCC[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-] ZINC000026400136 561788055 /nfs/dbraw/zinc/78/80/55/561788055.db2.gz AVDKZALHMMWCNH-GRRXFFLZSA-N -1 0 567.731 4.014 1 0 KIAFRM CCCC[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-] ZINC000026400140 561788081 /nfs/dbraw/zinc/78/80/81/561788081.db2.gz AVDKZALHMMWCNH-ZHEIKZOYSA-N -1 0 567.731 4.014 1 0 KIAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)[O-] ZINC000026401570 561788445 /nfs/dbraw/zinc/78/84/45/561788445.db2.gz RXNODKWHGUPVTB-WXFUMESZSA-N -1 0 620.589 4.328 1 0 KIAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)[O-] ZINC000026401573 561788457 /nfs/dbraw/zinc/78/84/57/561788457.db2.gz RXNODKWHGUPVTB-RBZQAINGSA-N -1 0 620.589 4.328 1 0 KIAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)[O-] ZINC000026401579 561788465 /nfs/dbraw/zinc/78/84/65/561788465.db2.gz RXNODKWHGUPVTB-TZRRMPRUSA-N -1 0 620.589 4.328 1 0 KIAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1)C(=O)[O-] ZINC000026401583 561788459 /nfs/dbraw/zinc/78/84/59/561788459.db2.gz RXNODKWHGUPVTB-KMDXXIMOSA-N -1 0 620.589 4.328 1 0 KIAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(-c3nnnn3-c3ccccc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000026488935 561792885 /nfs/dbraw/zinc/79/28/85/561792885.db2.gz GYYVPJXBGNUKSO-JVEHJONSSA-N -1 0 521.643 4.224 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)NCc2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000026491419 561793371 /nfs/dbraw/zinc/79/33/71/561793371.db2.gz GNPPNIJMIXICNV-QHCPKHFHSA-N -1 0 698.491 4.064 1 0 KIAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2c(O)cccc2O)cc1 ZINC000026493001 561793633 /nfs/dbraw/zinc/79/36/33/561793633.db2.gz IWOSOJUGTNLTDY-UXHICEINSA-N -1 0 565.431 4.167 1 0 KIAFRM CCOc1ccc(/C=C/C(=O)OC)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1c(F)cccc1Cl)C(C)C ZINC000026494159 561793941 /nfs/dbraw/zinc/79/39/41/561793941.db2.gz BBHZJDWNUYJWFP-FSJABKHUSA-N -1 0 651.153 4.209 1 0 in-vitro KIAFRM CCOC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)c1ccccc1 ZINC000026497784 561794697 /nfs/dbraw/zinc/79/46/97/561794697.db2.gz HQYHZZLWRJZEGG-ZDUSSCGKSA-N -1 0 522.120 4.491 1 0 KIAFRM CCOC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)c1ccccc1 ZINC000026497789 561794712 /nfs/dbraw/zinc/79/47/12/561794712.db2.gz HQYHZZLWRJZEGG-CYBMUJFWSA-N -1 0 522.120 4.491 1 0 KIAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1cncnc1C(F)(F)F ZINC000026498689 561794893 /nfs/dbraw/zinc/79/48/93/561794893.db2.gz AVAYEZKTIZROSV-INIZCTEOSA-N -1 0 527.286 4.480 1 0 KIAFRM CNC(=S)NCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026500003 561795256 /nfs/dbraw/zinc/79/52/56/561795256.db2.gz RYQVJWYRMJZFAD-FQEVSTJZSA-N -1 0 565.523 4.402 1 0 KIAFRM CS(=O)(=O)CCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026500511 561795322 /nfs/dbraw/zinc/79/53/22/561795322.db2.gz RIEZNKPULWYALL-FQEVSTJZSA-N -1 0 555.480 4.353 1 0 KIAFRM 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(C)C)C1CCCCC1 ZINC000026500976 561795447 /nfs/dbraw/zinc/79/54/47/561795447.db2.gz NILCJIYRWVBKFX-DINNNOROSA-N -1 0 676.855 4.167 1 0 KIAFRM CS(=O)(=O)c1ccccc1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000026501822 561795677 /nfs/dbraw/zinc/79/56/77/561795677.db2.gz PDKXHADSYLWZQX-IBGZPJMESA-N -1 0 535.405 4.075 1 0 KIAFRM 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(C)C)C1CCCCC1 ZINC000026502607 561795858 /nfs/dbraw/zinc/79/58/58/561795858.db2.gz NILCJIYRWVBKFX-YKMBPSLDSA-N -1 0 676.855 4.167 1 0 KIAFRM CCC[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-] ZINC000026502915 561795935 /nfs/dbraw/zinc/79/59/35/561795935.db2.gz MOFFIVKSFIOCFY-XUMVVQNTSA-N -1 0 676.855 4.311 1 0 KIAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](Oc2cc(-c3ccccc3)nc3ccccc32)C[C@H]1C(=O)NC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000026507417 561796831 /nfs/dbraw/zinc/79/68/31/561796831.db2.gz XYKWYUBQHGYYKO-SAMUMNIESA-N -1 0 697.833 4.209 1 0 KIAFRM NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(C[P@@](=O)([O-])O)cc2)C/C=C/C[C@@H](Cc2cccc3ccccc32)CNC1=O ZINC000026568888 561797650 /nfs/dbraw/zinc/79/76/50/561797650.db2.gz DUQLHBZZOWMHBA-BINFHYMYSA-N -1 0 702.789 4.496 1 0 KIAFRM CCC[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-] ZINC000026568902 561797628 /nfs/dbraw/zinc/79/76/28/561797628.db2.gz MOFFIVKSFIOCFY-CESVYPJZSA-N -1 0 676.855 4.311 1 0 KIAFRM O=C([O-])CCNC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O[C@@H]1OC(=O)c2ccccc21 ZINC000026571039 561798154 /nfs/dbraw/zinc/79/81/54/561798154.db2.gz IUFWSDKVZIGLIN-IQLGONJTSA-N -1 0 515.562 4.098 1 0 KIAFRM O=C([O-])CCNC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O[C@H]1OC(=O)c2ccccc21 ZINC000026571043 561798175 /nfs/dbraw/zinc/79/81/75/561798175.db2.gz IUFWSDKVZIGLIN-JWUQWVJQSA-N -1 0 515.562 4.098 1 0 KIAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCn1nn[n-]c1=S)c1ccccc1 ZINC000026573626 561798554 /nfs/dbraw/zinc/79/85/54/561798554.db2.gz PRUDWFVDSIXFLP-PHIIHZIRSA-N -1 0 670.840 4.359 1 0 KIAFRM COc1cc(OC)c(C(=O)N[C@H](C)C(=O)S[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])c(OC)c1 ZINC000026574394 561798783 /nfs/dbraw/zinc/79/87/83/561798783.db2.gz ZEQFQRLFJCQLRS-MZNJEOGPSA-N -1 0 523.607 4.453 1 0 KIAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCc1nnn[n-]1)c1ccccc1 ZINC000026574548 561798785 /nfs/dbraw/zinc/79/87/85/561798785.db2.gz YJQINHPCTZLUMY-NJHUKAMJSA-N -1 0 638.773 4.140 1 0 KIAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)C[P@@](=O)([O-])O)c1ccccc1 ZINC000026575285 561799127 /nfs/dbraw/zinc/79/91/27/561799127.db2.gz UFPWVIGWXJVEAI-RNXDMLAYSA-N -1 0 636.686 4.171 1 0 KIAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000026575833 561799601 /nfs/dbraw/zinc/79/96/01/561799601.db2.gz YVEBPEWSUNJAFH-WOFUMCRMSA-N -1 0 671.824 4.197 1 0 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561818954 /nfs/dbraw/zinc/81/89/54/561818954.db2.gz DZCFCLYSRSQGJQ-SVBPBHIXSA-N -1 0 552.716 4.260 1 0 KIAFRM CCOC(=O)c1sc([N-]c2nc3ncn(CC)c3c(NCc3cc(OC)c(OC)c(OC)c3)n2)nc1C ZINC000026749099 561819398 /nfs/dbraw/zinc/81/93/98/561819398.db2.gz JFQLSQCAJVPOTP-UHFFFAOYSA-N -1 0 527.607 4.169 1 0 KIAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000026750180 561819623 /nfs/dbraw/zinc/81/96/23/561819623.db2.gz ACRWEQCNUODMFN-BJKOFHAPSA-N -1 0 508.619 4.178 1 0 KIAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000026750185 561819615 /nfs/dbraw/zinc/81/96/15/561819615.db2.gz ACRWEQCNUODMFN-ZEQRLZLVSA-N -1 0 508.619 4.178 1 0 KIAFRM O=C([O-])[C@@H]1CCCN1C(=O)CN(CCC1CCCCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12 ZINC000026750831 561819743 /nfs/dbraw/zinc/81/97/43/561819743.db2.gz RSIQDPURTVMVBZ-KYJUHHDHSA-N -1 0 586.733 4.313 1 0 KIAFRM CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000026816415 561820311 /nfs/dbraw/zinc/82/03/11/561820311.db2.gz CVNADDFZCBWJEZ-UJOGNLFBSA-N -1 0 652.748 4.239 1 0 KIAFRM CCOC(=O)c1c(Br)c(OC)c2c(c1-c1c3c(c(OC)c(Br)c1C(=O)[O-])OCO3)OCO2 ZINC000026816615 561820418 /nfs/dbraw/zinc/82/04/18/561820418.db2.gz SNHJAKDHLATPGY-UHFFFAOYSA-N -1 0 576.146 4.228 1 0 KIAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000026820936 561821082 /nfs/dbraw/zinc/82/10/82/561821082.db2.gz DPSVRFVGNOQNNE-DHLKQENFSA-N -1 0 522.646 4.426 1 0 KIAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000026820942 561821147 /nfs/dbraw/zinc/82/11/47/561821147.db2.gz DPSVRFVGNOQNNE-RDGATRHJSA-N -1 0 522.646 4.426 1 0 KIAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000026823522 561821592 /nfs/dbraw/zinc/82/15/92/561821592.db2.gz 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CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 ZINC000026979500 561831168 /nfs/dbraw/zinc/83/11/68/561831168.db2.gz GBAPWUJOZAJNDZ-IRPSRAIASA-N -1 0 646.681 4.045 1 0 KIAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N[P@](=O)([O-])CCCCN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1 ZINC000026979520 561831181 /nfs/dbraw/zinc/83/11/81/561831181.db2.gz AMLWSGUFQAEWAD-KYJUHHDHSA-N -1 0 632.698 4.296 1 0 KIAFRM CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1ccccc1)NC(=O)CSc1nc2ccccc2[nH]1 ZINC000026981059 561831242 /nfs/dbraw/zinc/83/12/42/561831242.db2.gz MHPGTFOKNTYHDW-DCEDVJGZSA-N -1 0 585.796 4.011 1 0 KIAFRM CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1ccccc1)NC(=O)CSc1nc2ccccc2[nH]1 ZINC000026981064 561831257 /nfs/dbraw/zinc/83/12/57/561831257.db2.gz MHPGTFOKNTYHDW-KSNOWIBYSA-N -1 0 585.796 4.011 1 0 KIAFRM CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)ccc1-c1cccc(C(=O)[O-])c1)C(=O)C(F)(F)F ZINC000026981883 561831401 /nfs/dbraw/zinc/83/14/01/561831401.db2.gz FECSXOBPNUYCBT-HSZRJFAPSA-N -1 0 573.524 4.234 1 0 KIAFRM CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)ccc1-c1cccc(C(=O)[O-])c1)C(=O)C(F)(F)F ZINC000026981891 561831360 /nfs/dbraw/zinc/83/13/60/561831360.db2.gz FECSXOBPNUYCBT-QHCPKHFHSA-N -1 0 573.524 4.234 1 0 KIAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCNC(=O)CCc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026984963 561831751 /nfs/dbraw/zinc/83/17/51/561831751.db2.gz TUHPBCNODYNMRM-YPKYBTACSA-N -1 0 600.760 4.339 1 0 KIAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](CCCNC(=O)Cc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026985555 561831878 /nfs/dbraw/zinc/83/18/78/561831878.db2.gz DGFULAROBOKMBD-YPKYBTACSA-N -1 0 600.760 4.339 1 0 KIAFRM CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)ccc1-c1ccc(C(=O)[O-])cc1)C(=O)C(F)(F)F ZINC000026989328 561832302 /nfs/dbraw/zinc/83/23/02/561832302.db2.gz JGJRMASJWXOHBR-HSZRJFAPSA-N -1 0 573.524 4.234 1 0 KIAFRM CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)ccc1-c1ccc(C(=O)[O-])cc1)C(=O)C(F)(F)F ZINC000026989334 561832320 /nfs/dbraw/zinc/83/23/20/561832320.db2.gz JGJRMASJWXOHBR-QHCPKHFHSA-N -1 0 573.524 4.234 1 0 KIAFRM COc1ccc(S(=O)(=O)[N-]c2ncnc(OCCOc3ncc(Br)cn3)c2-c2ccc(C)cc2)cc1OC ZINC000026993568 561832787 /nfs/dbraw/zinc/83/27/87/561832787.db2.gz JKISIKCCLGJGJV-UHFFFAOYSA-N -1 0 602.467 4.280 1 0 KIAFRM COc1ccc(S(=O)(=O)[N-]c2ncnc(OCCOc3ncc(Br)cn3)c2-c2ccc(C)cc2)cc1 ZINC000026994889 561833051 /nfs/dbraw/zinc/83/30/51/561833051.db2.gz NEXBQRDJLYHMGP-UHFFFAOYSA-N -1 0 572.441 4.272 1 0 KIAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)c1ncc(-c2c(Cl)cccc2Cl)o1 ZINC000026997698 561833543 /nfs/dbraw/zinc/83/35/43/561833543.db2.gz PWESWMLIWGKYQQ-YFBXQHAESA-N -1 0 633.485 4.246 1 0 KIAFRM [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc(O)cn3)c2)c(I)c1)C(=O)[O-] ZINC000026997801 561833551 /nfs/dbraw/zinc/83/35/51/561833551.db2.gz NQWHELDBOBOZKS-SFHVURJKSA-N -1 0 632.192 4.040 1 0 KIAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(CO)cn2)cc1 ZINC000027073244 561833864 /nfs/dbraw/zinc/83/38/64/561833864.db2.gz ZYKPJIDIIVSKGM-UHFFFAOYSA-N -1 0 549.653 4.290 1 0 KIAFRM CCCc1nc(C(C)(C)O)c(C(=O)OCc2coc(=O)o2)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027076212 561834259 /nfs/dbraw/zinc/83/42/59/561834259.db2.gz JXXWLCSXJNXQRJ-UHFFFAOYSA-N -1 0 520.538 4.380 1 0 KIAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027076930 561834344 /nfs/dbraw/zinc/83/43/44/561834344.db2.gz IRROBWFEZNBTRX-FVXXUCQHSA-N -1 0 701.699 4.131 1 0 KIAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027076936 561834373 /nfs/dbraw/zinc/83/43/73/561834373.db2.gz IRROBWFEZNBTRX-QRQMUESOSA-N -1 0 701.699 4.131 1 0 KIAFRM COc1ccc(OC)c(S(=O)(=O)NCCS[C@@H]2c3ccccc3COc3ccc(C(=O)[O-])cc32)c1 ZINC000027077405 561834413 /nfs/dbraw/zinc/83/44/13/561834413.db2.gz XZDBWLVTQJTHNI-XMMPIXPASA-N -1 0 515.609 4.096 1 0 KIAFRM COc1ccc(OC)c(S(=O)(=O)NCCS[C@H]2c3ccccc3COc3ccc(C(=O)[O-])cc32)c1 ZINC000027077412 561834466 /nfs/dbraw/zinc/83/44/66/561834466.db2.gz XZDBWLVTQJTHNI-DEOSSOPVSA-N -1 0 515.609 4.096 1 0 KIAFRM CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2cccc(C(=O)[O-])c2)ccc1-c1ccccc1)C(=O)C(F)(F)F ZINC000027079750 561834868 /nfs/dbraw/zinc/83/48/68/561834868.db2.gz BQNOPKVSEDSMKQ-HSZRJFAPSA-N -1 0 573.524 4.234 1 0 KIAFRM CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2cccc(C(=O)[O-])c2)ccc1-c1ccccc1)C(=O)C(F)(F)F ZINC000027079755 561834889 /nfs/dbraw/zinc/83/48/89/561834889.db2.gz BQNOPKVSEDSMKQ-QHCPKHFHSA-N -1 0 573.524 4.234 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1cccs1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027080599 561835032 /nfs/dbraw/zinc/83/50/32/561835032.db2.gz BZBPNFKSWVGGOB-FQEVSTJZSA-N -1 0 687.514 4.413 1 0 KIAFRM COc1ccc(S(=O)(=O)NCCS[C@@H]2c3ccccc3COc3ccc(C(=O)[O-])cc32)cc1OC ZINC000027081333 561835112 /nfs/dbraw/zinc/83/51/12/561835112.db2.gz CZTOULFIXXVUDX-XMMPIXPASA-N -1 0 515.609 4.096 1 0 KIAFRM COc1ccc(S(=O)(=O)NCCS[C@H]2c3ccccc3COc3ccc(C(=O)[O-])cc32)cc1OC ZINC000027081339 561835178 /nfs/dbraw/zinc/83/51/78/561835178.db2.gz CZTOULFIXXVUDX-DEOSSOPVSA-N -1 0 515.609 4.096 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc(-c2ccccc2)c(F)c1 ZINC000027081812 561835122 /nfs/dbraw/zinc/83/51/22/561835122.db2.gz LHGHYRBRMNOGPF-CUNXSJBXSA-N -1 0 544.627 4.359 1 0 KIAFRM CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000027093552 561837611 /nfs/dbraw/zinc/83/76/11/561837611.db2.gz YJBWLNFJXTYWKI-XOSLRORVSA-N -1 0 738.923 4.235 1 0 KIAFRM CC(=O)N1[C@@H](C(=O)NCC(=O)[O-])CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027100525 561838739 /nfs/dbraw/zinc/83/87/39/561838739.db2.gz LULFDNNADUTNOM-ICTUOHASSA-N -1 0 585.701 4.199 1 0 KIAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2cccc(F)c2)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027102248 561838984 /nfs/dbraw/zinc/83/89/84/561838984.db2.gz PEBCJJPZQPZXIW-DEVPKTDCSA-N -1 0 603.691 4.338 1 0 KIAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027107359 561840457 /nfs/dbraw/zinc/84/04/57/561840457.db2.gz LULFDNNADUTNOM-HIYXNICHSA-N -1 0 585.701 4.199 1 0 KIAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccc(F)cc2)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027108174 561840705 /nfs/dbraw/zinc/84/07/05/561840705.db2.gz IJWFBDHZMWOQSI-DEVPKTDCSA-N -1 0 603.691 4.338 1 0 KIAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc2ccccc2c1 ZINC000027109756 561841247 /nfs/dbraw/zinc/84/12/47/561841247.db2.gz QNQLJFFFWWJGOD-HVNZXBJASA-N -1 0 556.615 4.120 1 0 KIAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc(C(F)(F)F)c1F ZINC000027109824 561841210 /nfs/dbraw/zinc/84/12/10/561841210.db2.gz IZQDUWSWEGPQCH-DCFHFQCYSA-N -1 0 592.542 4.125 1 0 KIAFRM CC(=O)N1[C@@H](C(=O)NCC(=O)[O-])CC(=O)c2cc(F)ccc2N(Cc2ccccc2)C(=O)[C@@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027109894 561841198 /nfs/dbraw/zinc/84/11/98/561841198.db2.gz HZJOPFWZXNKHDR-FVZMWTDFSA-N -1 0 603.691 4.338 1 0 KIAFRM CC(=O)N1[C@@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccc(F)cc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027109896 561841245 /nfs/dbraw/zinc/84/12/45/561841245.db2.gz HZJOPFWZXNKHDR-GRSQMCEQSA-N -1 0 603.691 4.338 1 0 KIAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccc(F)cc2C(=O)C[C@@H]1C(=O)NCC(=O)[O-] ZINC000027109898 561841192 /nfs/dbraw/zinc/84/11/92/561841192.db2.gz HZJOPFWZXNKHDR-HNKOTGFFSA-N -1 0 603.691 4.338 1 0 KIAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccc(F)cc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027109900 561841237 /nfs/dbraw/zinc/84/12/37/561841237.db2.gz HZJOPFWZXNKHDR-DEVPKTDCSA-N -1 0 603.691 4.338 1 0 KIAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc2ccccc21 ZINC000027110044 561841403 /nfs/dbraw/zinc/84/14/03/561841403.db2.gz KDPIRBHXWSSOCR-FKAPRUDGSA-N -1 0 556.615 4.120 1 0 KIAFRM COc1ccc2c(c1)C(=O)C[C@H](C(=O)NCC(=O)[O-])N(C(C)=O)[C@H](CC13CC4CC(CC(C4)C1)C3)C(=O)N2Cc1ccccc1 ZINC000027180230 561841601 /nfs/dbraw/zinc/84/16/01/561841601.db2.gz MHEQBVDWTZHIBI-QFJWAJAJSA-N -1 0 615.727 4.208 1 0 KIAFRM COc1ccc2c(c1)C(=O)C[C@H](C(=O)NCC(=O)[O-])N(C(C)=O)[C@@H](CC13CC4CC(CC(C4)C1)C3)C(=O)N2Cc1ccccc1 ZINC000027180235 561841603 /nfs/dbraw/zinc/84/16/03/561841603.db2.gz MHEQBVDWTZHIBI-YQDSFSNTSA-N -1 0 615.727 4.208 1 0 KIAFRM COc1ccc2c(c1)C(=O)C[C@@H](C(=O)NCC(=O)[O-])N(C(C)=O)[C@H](CC13CC4CC(CC(C4)C1)C3)C(=O)N2Cc1ccccc1 ZINC000027180243 561841612 /nfs/dbraw/zinc/84/16/12/561841612.db2.gz MHEQBVDWTZHIBI-HSPZFKIQSA-N -1 0 615.727 4.208 1 0 KIAFRM COc1ccc2c(c1)C(=O)C[C@@H](C(=O)NCC(=O)[O-])N(C(C)=O)[C@@H](CC13CC4CC(CC(C4)C1)C3)C(=O)N2Cc1ccccc1 ZINC000027180247 561841598 /nfs/dbraw/zinc/84/15/98/561841598.db2.gz MHEQBVDWTZHIBI-JOAILUEASA-N -1 0 615.727 4.208 1 0 KIAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027182381 561842028 /nfs/dbraw/zinc/84/20/28/561842028.db2.gz LGIDBXYWWOJCKV-IDISGSTGSA-N -1 0 603.455 4.052 1 0 KIAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000027182801 561841995 /nfs/dbraw/zinc/84/19/95/561841995.db2.gz JMWHAJYTESSUIX-UVMMSNCQSA-N -1 0 610.663 4.198 1 0 KIAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(Cl)cccc1Cl ZINC000027189052 561843189 /nfs/dbraw/zinc/84/31/89/561843189.db2.gz DXEVARGPFSFJDM-LVXARBLLSA-N -1 0 575.445 4.274 1 0 KIAFRM O=C([O-])C[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027205761 561845935 /nfs/dbraw/zinc/84/59/35/561845935.db2.gz JHZFXGLODCFMCY-HSZRJFAPSA-N -1 0 699.475 4.491 1 0 KIAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000027208711 561846543 /nfs/dbraw/zinc/84/65/43/561846543.db2.gz TUBUJXSEJKCKLD-VZPHFUHGSA-N -1 0 683.651 4.253 1 0 KIAFRM O=C([O-])C[C@@H](NC(=O)Cn1c(=O)c(NC(=O)NCc2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027209196 561846688 /nfs/dbraw/zinc/84/66/88/561846688.db2.gz GNPPNIJMIXICNV-HSZRJFAPSA-N -1 0 698.491 4.064 1 0 KIAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](COC(=O)c1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000027212141 561847460 /nfs/dbraw/zinc/84/74/60/561847460.db2.gz WTGNSAQTTIVHBF-KKSFZXQISA-N -1 0 525.385 4.061 1 0 KIAFRM O=C([O-])C[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1cccs1)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027212349 561847491 /nfs/dbraw/zinc/84/74/91/561847491.db2.gz BZBPNFKSWVGGOB-HXUWFJFHSA-N -1 0 687.514 4.413 1 0 KIAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027213163 561847695 /nfs/dbraw/zinc/84/76/95/561847695.db2.gz IRROBWFEZNBTRX-KQZWIPHESA-N -1 0 701.699 4.131 1 0 KIAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000027213168 561847679 /nfs/dbraw/zinc/84/76/79/561847679.db2.gz IRROBWFEZNBTRX-GVQINVNESA-N -1 0 701.699 4.131 1 0 KIAFRM O=C([O-])[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1S(=O)(=O)CCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000027214961 561848163 /nfs/dbraw/zinc/84/81/63/561848163.db2.gz IYWLZQLIFMUDCK-MZBJOSPHSA-N -1 0 552.052 4.249 1 0 KIAFRM O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1S(=O)(=O)CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000027215265 561848120 /nfs/dbraw/zinc/84/81/20/561848120.db2.gz FSFVECJWHSGENK-MZBJOSPHSA-N -1 0 535.593 4.226 1 0 KIAFRM CCCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)c2ccccc2C(=O)[O-])s1 ZINC000027303366 561849272 /nfs/dbraw/zinc/84/92/72/561849272.db2.gz ZAIISFDTYSSCOP-DQSJHHFOSA-N -1 0 525.594 4.232 1 0 KIAFRM O=C([O-])[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000027304534 561849383 /nfs/dbraw/zinc/84/93/83/561849383.db2.gz IFCFGMLOBSUCSN-NWVWQQAFSA-N -1 0 523.998 4.065 1 0 KIAFRM NC(=O)CN(CCc1ccc(/C(=C\CCCC(=O)[O-])c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000027307242 561849894 /nfs/dbraw/zinc/84/98/94/561849894.db2.gz KEOWJWUNPZAGBC-VVAXDPKNSA-N -1 0 542.057 4.140 1 0 KIAFRM O=C([O-])CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc[n+]([O-])c1 ZINC000027315393 561851479 /nfs/dbraw/zinc/85/14/79/561851479.db2.gz RZPYZQQWTKIEQB-ZXKDJJQISA-N -1 0 501.004 4.181 1 0 KIAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O ZINC000027319593 561852388 /nfs/dbraw/zinc/85/23/88/561852388.db2.gz MXVIJGLYNXIMET-XFDURZHPSA-N -1 0 652.748 4.452 1 0 KIAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O ZINC000027320366 561852435 /nfs/dbraw/zinc/85/24/35/561852435.db2.gz JAZOLNWPKYTYLL-XFDURZHPSA-N -1 0 652.748 4.452 1 0 KIAFRM CCCCCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CCCc1ccccc1)CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027323471 561853129 /nfs/dbraw/zinc/85/31/29/561853129.db2.gz QKMPXWWPKOMTSJ-UHFFFAOYSA-N -1 0 757.910 4.189 1 0 KIAFRM CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC(=O)N(CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027328822 561854257 /nfs/dbraw/zinc/85/42/57/561854257.db2.gz AHPOOXPMRDFDCN-UHFFFAOYSA-N -1 0 757.910 4.189 1 0 KIAFRM CCCCCC(=O)N(CC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC(N)=O)CC(C)C)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000027330864 561854898 /nfs/dbraw/zinc/85/48/98/561854898.db2.gz QISDNCLSZGDCNZ-UHFFFAOYSA-N -1 0 757.910 4.189 1 0 KIAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CC(=O)[O-])c1ccccc1 ZINC000027409912 561856170 /nfs/dbraw/zinc/85/61/70/561856170.db2.gz DPOQSDFDUVHEKD-YBEZODOLSA-N -1 0 600.716 4.468 1 0 KIAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CC(=O)[O-])Cc1ccccc1 ZINC000027413925 561856846 /nfs/dbraw/zinc/85/68/46/561856846.db2.gz IJHVGBPKVAYMAD-NAXDOHLCSA-N -1 0 614.743 4.338 1 0 KIAFRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027429540 561859048 /nfs/dbraw/zinc/85/90/48/561859048.db2.gz RRIOZKGLISHEDX-IMTIFLQZSA-N -1 0 595.740 4.034 1 0 KIAFRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027429545 561859061 /nfs/dbraw/zinc/85/90/61/561859061.db2.gz RRIOZKGLISHEDX-LLZARBDNSA-N -1 0 595.740 4.034 1 0 KIAFRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027429549 561859090 /nfs/dbraw/zinc/85/90/90/561859090.db2.gz RRIOZKGLISHEDX-XRGFOXFOSA-N -1 0 595.740 4.034 1 0 KIAFRM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027429554 561859085 /nfs/dbraw/zinc/85/90/85/561859085.db2.gz RRIOZKGLISHEDX-OQUSBRBASA-N -1 0 595.740 4.034 1 0 KIAFRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027440823 561860718 /nfs/dbraw/zinc/86/07/18/561860718.db2.gz RRIOZKGLISHEDX-OGQCFJMOSA-N -1 0 595.740 4.034 1 0 KIAFRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027440829 561860683 /nfs/dbraw/zinc/86/06/83/561860683.db2.gz RRIOZKGLISHEDX-VQSRGSEASA-N -1 0 595.740 4.034 1 0 KIAFRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027440835 561860711 /nfs/dbraw/zinc/86/07/11/561860711.db2.gz RRIOZKGLISHEDX-PZSYABAVSA-N -1 0 595.740 4.034 1 0 KIAFRM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027440841 561860738 /nfs/dbraw/zinc/86/07/38/561860738.db2.gz RRIOZKGLISHEDX-OLJFZEQQSA-N -1 0 595.740 4.034 1 0 KIAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2c[nH]cn2)Cc2c[nH]cn2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027517890 561861665 /nfs/dbraw/zinc/86/16/65/561861665.db2.gz DNQNJLLRSCYHPU-SANMLTNESA-N -1 0 532.670 4.247 1 0 KIAFRM O=c1[n-]c(CN2CCN([C@@H](COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)n[nH]1 ZINC000027518240 561862046 /nfs/dbraw/zinc/86/20/46/561862046.db2.gz QHCSPVHPMRFOBY-FQEVSTJZSA-N -1 0 529.485 4.211 1 0 KIAFRM O=c1[n-]c(CN2CCN([C@H](COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)CC2)n[nH]1 ZINC000027518241 561862031 /nfs/dbraw/zinc/86/20/31/561862031.db2.gz QHCSPVHPMRFOBY-HXUWFJFHSA-N -1 0 529.485 4.211 1 0 KIAFRM COCCOCCOCC(=O)Oc1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Cl)c1C ZINC000027520753 561863754 /nfs/dbraw/zinc/86/37/54/561863754.db2.gz WUQBCFPCALMHHD-UHFFFAOYSA-N -1 0 616.114 4.261 1 0 KIAFRM CO[P@](=O)([O-])[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000027522027 561864346 /nfs/dbraw/zinc/86/43/46/561864346.db2.gz 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ZINC000028642603 561943689 /nfs/dbraw/zinc/94/36/89/561943689.db2.gz DVRGWZHPEJBNBL-QFIPXVFZSA-N -1 0 508.619 4.068 1 0 KIAFRM C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000028652966 561946123 /nfs/dbraw/zinc/94/61/23/561946123.db2.gz OFGVKHHBPHPRCR-AXRGIPJOSA-N -1 0 628.726 4.500 1 0 KIAFRM O=C([O-])c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 ZINC000028655791 561946710 /nfs/dbraw/zinc/94/67/10/561946710.db2.gz UXINEYOTANXNMI-UHFFFAOYSA-N -1 0 531.613 4.172 1 0 KIAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(S(=O)(=O)CC(=O)[O-])c2)C1=O ZINC000028655837 561946812 /nfs/dbraw/zinc/94/68/12/561946812.db2.gz XBCHLNQAORMUKD-UHFFFAOYSA-N -1 0 596.706 4.325 1 0 KIAFRM CCOC(=O)COc1cc(-c2cc(=O)c3c([O-])cc(OCCN4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3o2)ccc1OC ZINC000028703044 561947655 /nfs/dbraw/zinc/94/76/55/561947655.db2.gz ZZRGJCPZVFSJLN-UHFFFAOYSA-N -1 0 678.735 4.339 1 0 KIAFRM CCCCn1c2[nH]c(Cc3ccc([N-]S(=O)(=O)c4ccsc4C(=O)OC)cc3)nc2c(=O)n(Cc2ccccc2F)c1=O ZINC000028708815 561950418 /nfs/dbraw/zinc/95/04/18/561950418.db2.gz RVTURBHBIAURCT-UHFFFAOYSA-N -1 0 625.704 4.114 1 0 KIAFRM CCCCn1c2[nH]c(Cc3ccc([N-]S(=O)(=O)c4cccs4)cc3)nc2c(=O)n(Cc2ccccc2F)c1=O ZINC000028708817 561950441 /nfs/dbraw/zinc/95/04/41/561950441.db2.gz WTKXNNXIPQXUNA-UHFFFAOYSA-N -1 0 567.668 4.327 1 0 KIAFRM C[C@H]1COc2c(N3CCN(CC(=O)c4ccc(Cl)cc4Cl)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000028712701 561953318 /nfs/dbraw/zinc/95/33/18/561953318.db2.gz CPCKRKLUVQOWTA-ZDUSSCGKSA-N -1 0 534.371 4.104 1 0 KIAFRM Cc1cc2nc(-c3ccc(O)c(C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)[O-])c3)[nH]c2cc1C ZINC000028712823 561953463 /nfs/dbraw/zinc/95/34/63/561953463.db2.gz MMHAYLMDPFIXSK-CUYQZIOBSA-N -1 0 702.768 4.397 1 0 KIAFRM Cc1nn(-c2ccccn2)c2nc(C3CC3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c12 ZINC000028755825 561955800 /nfs/dbraw/zinc/95/58/00/561955800.db2.gz DJVPVDCRLBGREV-LKWCPCFXSA-N -1 0 502.546 4.407 1 0 KIAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(CC(C)C)cc1 ZINC000028759920 561957718 /nfs/dbraw/zinc/95/77/18/561957718.db2.gz NYHRKBRNAQPJTN-AZGAKELHSA-N -1 0 516.619 4.497 1 0 KIAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(CC(C)C)cc1 ZINC000028759922 561957705 /nfs/dbraw/zinc/95/77/05/561957705.db2.gz NYHRKBRNAQPJTN-AOYPEHQESA-N -1 0 516.619 4.497 1 0 KIAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000028760927 561958052 /nfs/dbraw/zinc/95/80/52/561958052.db2.gz DEDCGWYIPIGGIQ-RBJSKKJNSA-N -1 0 600.674 4.131 1 0 KIAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000028760929 561958026 /nfs/dbraw/zinc/95/80/26/561958026.db2.gz DEDCGWYIPIGGIQ-UFHPHHKVSA-N -1 0 600.674 4.131 1 0 KIAFRM [NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000028761356 561958106 /nfs/dbraw/zinc/95/81/06/561958106.db2.gz CPGHOZLHXUIXPD-YTCPBCGMSA-N -1 0 609.660 4.309 1 0 KIAFRM [NH3+]CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000028761360 561958089 /nfs/dbraw/zinc/95/80/89/561958089.db2.gz CPGHOZLHXUIXPD-SSBOKUKZSA-N -1 0 609.660 4.309 1 0 KIAFRM CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O ZINC000028761799 561958249 /nfs/dbraw/zinc/95/82/49/561958249.db2.gz OTZGSMXWHJLTCA-IARZGTGTSA-N -1 0 579.634 4.237 1 0 KIAFRM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O ZINC000028761801 561958216 /nfs/dbraw/zinc/95/82/16/561958216.db2.gz OTZGSMXWHJLTCA-FCEKVYKBSA-N -1 0 579.634 4.237 1 0 KIAFRM CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000028761845 561958251 /nfs/dbraw/zinc/95/82/51/561958251.db2.gz JGVWSUQFPXEXQG-QFIPXVFZSA-N -1 0 584.764 4.284 1 0 KIAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000028762121 561958286 /nfs/dbraw/zinc/95/82/86/561958286.db2.gz NTNBHFAZKDNJIA-UHFFFAOYSA-N -1 0 533.050 4.267 1 0 KIAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028762432 561958447 /nfs/dbraw/zinc/95/84/47/561958447.db2.gz QEXACAZNQMMROC-HQJNJJHVSA-N -1 0 723.912 4.092 1 0 KIAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028762436 561958466 /nfs/dbraw/zinc/95/84/66/561958466.db2.gz QEXACAZNQMMROC-UHBSHZSYSA-N -1 0 723.912 4.092 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O)C(=O)COc1ccccc1 ZINC000028763165 561958647 /nfs/dbraw/zinc/95/86/47/561958647.db2.gz FYAGWFMOAUUIPQ-BHDXBOSCSA-N -1 0 603.631 4.451 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)[C@H](c1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O)C(=O)COc1ccccc1 ZINC000028763167 561958652 /nfs/dbraw/zinc/95/86/52/561958652.db2.gz FYAGWFMOAUUIPQ-NYDCQLBNSA-N -1 0 603.631 4.451 1 0 KIAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028764097 561959076 /nfs/dbraw/zinc/95/90/76/561959076.db2.gz BGPNTBTZDFVHQN-HQJNJJHVSA-N -1 0 707.913 4.256 1 0 KIAFRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1 ZINC000028764100 561959048 /nfs/dbraw/zinc/95/90/48/561959048.db2.gz BGPNTBTZDFVHQN-UHBSHZSYSA-N -1 0 707.913 4.256 1 0 KIAFRM CCCCc1ccc(NC(=O)c2cccc3ccccc32)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1 ZINC000028764358 561959073 /nfs/dbraw/zinc/95/90/73/561959073.db2.gz WPYAUAIKNRPBAE-NDEPHWFRSA-N -1 0 583.641 4.204 1 0 KIAFRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028764409 561959053 /nfs/dbraw/zinc/95/90/53/561959053.db2.gz FOMWMWBNKVFDGE-SVBPBHIXSA-N -1 0 569.614 4.203 1 0 KIAFRM CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028764411 561959039 /nfs/dbraw/zinc/95/90/39/561959039.db2.gz FOMWMWBNKVFDGE-RRPNLBNLSA-N -1 0 569.614 4.203 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)c2cccc3ccccc32)c1=O)C(=O)COc1ccccc1 ZINC000028764638 561959187 /nfs/dbraw/zinc/95/91/87/561959187.db2.gz VAGXGCJJZPRRPT-HKBQPEDESA-N -1 0 617.658 4.452 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)[C@H](c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 ZINC000028765006 561959433 /nfs/dbraw/zinc/95/94/33/561959433.db2.gz INQLGDGUTMTJDV-NYDCQLBNSA-N -1 0 603.631 4.451 1 0 KIAFRM CC(C)[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028765402 561959510 /nfs/dbraw/zinc/95/95/10/561959510.db2.gz PGNUIGNNQHSTEE-WNJJXGMVSA-N -1 0 569.614 4.059 1 0 KIAFRM CC(C)[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028765403 561959545 /nfs/dbraw/zinc/95/95/45/561959545.db2.gz PGNUIGNNQHSTEE-LITSAYRRSA-N -1 0 569.614 4.059 1 0 KIAFRM O=C([O-])C[C@@H](NC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)c1ccc(-c2ccccc2)cc1 ZINC000028770884 561961276 /nfs/dbraw/zinc/96/12/76/561961276.db2.gz CJDLVBMPCKYVJE-XMMPIXPASA-N -1 0 540.576 4.330 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)CNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)c1ccc(-c2ccccc2)cc1 ZINC000028770886 561961263 /nfs/dbraw/zinc/96/12/63/561961263.db2.gz CJDLVBMPCKYVJE-DEOSSOPVSA-N -1 0 540.576 4.330 1 0 KIAFRM CN(CC(=O)N[C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NC(=O)NCc2ccccc2)o1 ZINC000028770978 561961361 /nfs/dbraw/zinc/96/13/61/561961361.db2.gz GIWWLUOHJKCXSA-IBGZPJMESA-N -1 0 547.395 4.312 1 0 KIAFRM CN(CC(=O)N[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(NC(=O)NCc2ccccc2)o1 ZINC000028770979 561961326 /nfs/dbraw/zinc/96/13/26/561961326.db2.gz GIWWLUOHJKCXSA-LJQANCHMSA-N -1 0 547.395 4.312 1 0 KIAFRM O=C(C=Cc1ccccc1)OC[C@H]1O[C@@H](Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O ZINC000028816576 561964377 /nfs/dbraw/zinc/96/43/77/561964377.db2.gz XLRROJNLELUHOS-FTJBIWNASA-N -1 0 708.672 4.284 1 0 KIAFRM COC(=O)c1c(F)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000028822411 561966980 /nfs/dbraw/zinc/96/69/80/561966980.db2.gz FISOJWXCEZIQPU-SNVBAGLBSA-N -1 0 504.839 4.460 1 0 KIAFRM C[C@@H](NC(=O)C1([N-]C(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(Cl)c2-c2nnn(C)n2)cc1F ZINC000028822439 561966988 /nfs/dbraw/zinc/96/69/88/561966988.db2.gz NFKLMEVIEYCPDI-SNVBAGLBSA-N -1 0 545.324 4.378 1 0 KIAFRM COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000028822451 561967016 /nfs/dbraw/zinc/96/70/16/561967016.db2.gz AIWPMGMGPHDOPW-SECBINFHSA-N -1 0 522.282 4.369 1 0 KIAFRM CCOC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000028822452 561966965 /nfs/dbraw/zinc/96/69/65/561966965.db2.gz MHDZUPQTJWSBJV-LLVKDONJSA-N -1 0 501.864 4.106 1 0 KIAFRM NS(=O)(=O)c1ccc(-c2cnc3c(c2)/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)N3)cc1 ZINC000028823935 561968768 /nfs/dbraw/zinc/96/87/68/561968768.db2.gz MFKBKCAIVNHEFA-WCSRMQSCSA-N -1 0 551.216 4.119 1 0 KIAFRM CC1(C)[C@@]2(C)CC[C@]1(C(=O)O[C@@H]1c3c(ccc4c([O-])cc(=O)oc43)OC(C)(C)[C@@H]1OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O ZINC000028876564 561975793 /nfs/dbraw/zinc/97/57/93/561975793.db2.gz YCPKCESUZLYGNE-HRWZLDHOSA-N -1 0 638.666 4.410 1 0 KIAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C/CCCCN(N)C(=O)[C@@H]2C1 ZINC000028877257 561975889 /nfs/dbraw/zinc/97/58/89/561975889.db2.gz ZPPIGWGXPXVKIT-TUQDIDQCSA-N -1 0 584.673 4.086 1 0 KIAFRM Cc1c(N2CC(=O)[N-]S2(=O)=O)csc1-c1cccc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000028886860 561977725 /nfs/dbraw/zinc/97/77/25/561977725.db2.gz MRPOOXOVLHKTGX-UHFFFAOYSA-N -1 0 560.723 4.151 1 0 KIAFRM CC(C)=CCC/C(C)=C\C[C@@]12c3ccccc3N[C@@H]1N(C(=O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]2C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000028888017 561977901 /nfs/dbraw/zinc/97/79/01/561977901.db2.gz NCGCMCMNEBLQHX-NGYIQJCTSA-N -1 0 616.759 4.221 1 0 KIAFRM CCOc1ccc(S(=O)(=O)c2ccc([C@H](C)[N-]S(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)c2ccccc2F)c1 ZINC000028898481 561979520 /nfs/dbraw/zinc/97/95/20/561979520.db2.gz OBCSDSHYTFJHSC-HNNXBMFYSA-N -1 0 595.614 4.390 1 0 KIAFRM COCCOc1ccc(S(=O)(=O)c2ccc([C@H](C)[N-]S(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)c2ccccc2F)c1 ZINC000028898495 561979468 /nfs/dbraw/zinc/97/94/68/561979468.db2.gz DSEHSTJUDXRTMH-INIZCTEOSA-N -1 0 625.640 4.017 1 0 KIAFRM Cc1ccc(S(=O)(=O)c2ccc([C@H](C)[N-]S(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)c2ccccc2F)c1 ZINC000028898506 561979492 /nfs/dbraw/zinc/97/94/92/561979492.db2.gz HQIYCFVTNCPHPF-HNNXBMFYSA-N -1 0 565.588 4.300 1 0 KIAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(N)cccc2F)cc1 ZINC000028898783 561979511 /nfs/dbraw/zinc/97/95/11/561979511.db2.gz ASXWXYDLQSHXSE-LBPRGKRZSA-N -1 0 601.021 4.227 1 0 KIAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2N2CCOCC2)cc1 ZINC000028898886 561979548 /nfs/dbraw/zinc/97/95/48/561979548.db2.gz PFDGOGZICDKRKH-INIZCTEOSA-N -1 0 671.112 4.482 1 0 KIAFRM CSCC[C@H](NC(=O)c1ccc(OC[C@H]2COc3ncccc3O2)cc1-c1ccccc1C)C(=O)[O-] ZINC000028957416 561983206 /nfs/dbraw/zinc/98/32/06/561983206.db2.gz FSHZMZAXDGFGTF-CVDCTZTESA-N -1 0 508.596 4.212 1 0 KIAFRM CSCC[C@@H](NC(=O)c1ccc(OC[C@@H]2COc3ncccc3O2)cc1-c1ccccc1C)C(=O)[O-] ZINC000028957438 561983208 /nfs/dbraw/zinc/98/32/08/561983208.db2.gz FSHZMZAXDGFGTF-AUSIDOKSSA-N -1 0 508.596 4.212 1 0 KIAFRM CSCC[C@@H](NC(=O)c1ccc(OC[C@H]2COc3ncccc3O2)cc1-c1ccccc1C)C(=O)[O-] ZINC000028957450 561983264 /nfs/dbraw/zinc/98/32/64/561983264.db2.gz FSHZMZAXDGFGTF-WMZHIEFXSA-N -1 0 508.596 4.212 1 0 KIAFRM CSCC[C@H](NC(=O)c1ccc(OC[C@@H]2COc3ncccc3O2)cc1-c1ccccc1C)C(=O)[O-] ZINC000028957468 561983256 /nfs/dbraw/zinc/98/32/56/561983256.db2.gz FSHZMZAXDGFGTF-XXBNENTESA-N -1 0 508.596 4.212 1 0 KIAFRM CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)[N-]C(=O)C(F)(F)F)C1=O ZINC000028958001 561983456 /nfs/dbraw/zinc/98/34/56/561983456.db2.gz IEIVKNUCYLLKCL-QZTJIDSGSA-N -1 0 545.480 4.047 1 0 KIAFRM COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)[N-]S(N)(=O)=O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl ZINC000028962497 561984547 /nfs/dbraw/zinc/98/45/47/561984547.db2.gz NJVFMMBNNJQPPG-PMERELPUSA-N -1 0 627.094 4.359 1 0 KIAFRM CC(C)(C)OC(=O)NCCCCCC(=O)Oc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)ccc1O ZINC000028966306 561985171 /nfs/dbraw/zinc/98/51/71/561985171.db2.gz SJAIHUVENWGGRZ-UHFFFAOYSA-N -1 0 515.515 4.273 1 0 KIAFRM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(Br)ccc3C(=O)N3CCCCC3)c2)o1 ZINC000028969364 561985653 /nfs/dbraw/zinc/98/56/53/561985653.db2.gz MTXUGOPELQSDDX-UHFFFAOYSA-N -1 0 505.394 4.234 1 0 KIAFRM O=C(c1ccc(Br)cc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21)N1CCCCC1 ZINC000028969429 561985664 /nfs/dbraw/zinc/98/56/64/561985664.db2.gz NQXNMNWIMOHNIE-UHFFFAOYSA-N -1 0 503.831 4.239 1 0 KIAFRM Cc1c(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)N2CCCCC2)cnn1-c1ccccc1 ZINC000028969434 561985646 /nfs/dbraw/zinc/98/56/46/561985646.db2.gz YZOVMEGJMAQNJO-UHFFFAOYSA-N -1 0 503.422 4.370 1 0 KIAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000028974080 561986273 /nfs/dbraw/zinc/98/62/73/561986273.db2.gz WEBRQLWRKXSWJD-ABYGYWHVSA-N -1 0 614.701 4.434 1 0 KIAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000028974087 561986283 /nfs/dbraw/zinc/98/62/83/561986283.db2.gz WEBRQLWRKXSWJD-VAVYLYDRSA-N -1 0 614.701 4.434 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(-c4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977906 561987451 /nfs/dbraw/zinc/98/74/51/561987451.db2.gz VXDVVSUZXIKAOT-UPVQGACJSA-N -1 0 554.625 4.209 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(-c4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977911 561987425 /nfs/dbraw/zinc/98/74/25/561987425.db2.gz VXDVVSUZXIKAOT-VWNXMTODSA-N -1 0 554.625 4.209 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(-c4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977916 561987427 /nfs/dbraw/zinc/98/74/27/561987427.db2.gz VXDVVSUZXIKAOT-LADGPHEKSA-N -1 0 554.625 4.209 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(-c4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977920 561987492 /nfs/dbraw/zinc/98/74/92/561987492.db2.gz VXDVVSUZXIKAOT-ISKFKSNPSA-N -1 0 554.625 4.209 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(Cc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977963 561987601 /nfs/dbraw/zinc/98/76/01/561987601.db2.gz PONPMHNRESGPEZ-DQEYMECFSA-N -1 0 568.652 4.133 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(Cc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977967 561987560 /nfs/dbraw/zinc/98/75/60/561987560.db2.gz PONPMHNRESGPEZ-RPBOFIJWSA-N -1 0 568.652 4.133 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(Cc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977970 561987595 /nfs/dbraw/zinc/98/75/95/561987595.db2.gz PONPMHNRESGPEZ-LOSJGSFVSA-N -1 0 568.652 4.133 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(Cc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977974 561987527 /nfs/dbraw/zinc/98/75/27/561987527.db2.gz PONPMHNRESGPEZ-JWQCQUIFSA-N -1 0 568.652 4.133 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978033 561987567 /nfs/dbraw/zinc/98/75/67/561987567.db2.gz WGCMBTDMQOGRIE-UIOOFZCWSA-N -1 0 582.679 4.327 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978038 561987531 /nfs/dbraw/zinc/98/75/31/561987531.db2.gz WGCMBTDMQOGRIE-FTJBHMTQSA-N -1 0 582.679 4.327 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978044 561987576 /nfs/dbraw/zinc/98/75/76/561987576.db2.gz WGCMBTDMQOGRIE-IZZNHLLZSA-N -1 0 582.679 4.327 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978049 561987529 /nfs/dbraw/zinc/98/75/29/561987529.db2.gz WGCMBTDMQOGRIE-CLJLJLNGSA-N -1 0 582.679 4.327 1 0 KIAFRM COC(=O)c1c(O)cccc1OCCCc1c[nH]c([C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)n1 ZINC000028978108 561987571 /nfs/dbraw/zinc/98/75/71/561987571.db2.gz DAZSGUOJKRVDFC-NAKRPHOHSA-N -1 0 700.767 4.354 1 0 KIAFRM COC(=O)c1c(O)cccc1OCCCc1c[nH]c([C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)n1 ZINC000028978114 561987724 /nfs/dbraw/zinc/98/77/24/561987724.db2.gz DAZSGUOJKRVDFC-LSYYVWMOSA-N -1 0 700.767 4.354 1 0 KIAFRM COC(=O)c1c(O)cccc1OCCCc1c[nH]c([C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)n1 ZINC000028978119 561987740 /nfs/dbraw/zinc/98/77/40/561987740.db2.gz DAZSGUOJKRVDFC-LEAFIULHSA-N -1 0 700.767 4.354 1 0 KIAFRM COC(=O)c1c(O)cccc1OCCCc1c[nH]c([C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)n1 ZINC000028978125 561987730 /nfs/dbraw/zinc/98/77/30/561987730.db2.gz DAZSGUOJKRVDFC-LBNVMWSVSA-N -1 0 700.767 4.354 1 0 KIAFRM O=C([O-])[C@H](Cc1ccc(N2CCN(c3ccccc3)CC2)cc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000028978753 561988060 /nfs/dbraw/zinc/98/80/60/561988060.db2.gz CIIULLSFEQSQLM-WUFINQPMSA-N -1 0 631.582 4.285 1 0 KIAFRM CC(C)c1c(S(=O)(=O)N(C)C)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037725 561988703 /nfs/dbraw/zinc/98/87/03/561988703.db2.gz KDCOGIHYRPHRST-DHIUTWEWSA-N -1 0 546.661 4.312 1 0 KIAFRM CC(C)c1c(S(=O)(=O)N2CCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037727 561988670 /nfs/dbraw/zinc/98/86/70/561988670.db2.gz BQXHXGRMRBSNNL-DNQXCXABSA-N -1 0 558.672 4.456 1 0 KIAFRM CC(C)c1c(S(=O)(=O)N(C)C)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037729 561988727 /nfs/dbraw/zinc/98/87/27/561988727.db2.gz CLOMKGVJEPOUAM-DHIUTWEWSA-N -1 0 564.651 4.451 1 0 KIAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(O[C@@H](O)Cc3nc(-c4ccc(O)cc4)oc3C)cc2)cc1 ZINC000029042773 561991613 /nfs/dbraw/zinc/99/16/13/561991613.db2.gz FJWPAWMRJHFJRV-HHHXNRCGSA-N -1 0 548.548 4.390 1 0 KIAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(O[C@H](O)Cc3nc(-c4ccc(O)cc4)oc3C)cc2)cc1 ZINC000029042775 561991584 /nfs/dbraw/zinc/99/15/84/561991584.db2.gz FJWPAWMRJHFJRV-MHZLTWQESA-N -1 0 548.548 4.390 1 0 KIAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OCCc3nc(-c4ccc(O)cc4)oc3CO)cc2)cc1 ZINC000029042850 561991641 /nfs/dbraw/zinc/99/16/41/561991641.db2.gz REYODLMMIVHAOF-UHFFFAOYSA-N -1 0 548.548 4.255 1 0 KIAFRM O=C([O-])CN(Cc1ccc(OCCc2nc(-c3ccccc3)oc2CO)cc1)C(=O)Oc1ccc(O)cc1 ZINC000029042930 561991767 /nfs/dbraw/zinc/99/17/67/561991767.db2.gz YIRXLRFQQYZVHN-UHFFFAOYSA-N -1 0 518.522 4.247 1 0 KIAFRM Cc1oc(-c2ccccc2)nc1C[C@@H](O)Oc1ccc(CN(CC(=O)[O-])C(=O)Oc2ccc(O)cc2)cc1 ZINC000029042932 561991813 /nfs/dbraw/zinc/99/18/13/561991813.db2.gz HLEBRMGWUUFGIB-SANMLTNESA-N -1 0 518.522 4.381 1 0 KIAFRM Cc1oc(-c2ccccc2)nc1C[C@H](O)Oc1ccc(CN(CC(=O)[O-])C(=O)Oc2ccc(O)cc2)cc1 ZINC000029042934 561991791 /nfs/dbraw/zinc/99/17/91/561991791.db2.gz HLEBRMGWUUFGIB-AREMUKBSSA-N -1 0 518.522 4.381 1 0 KIAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)CC(C)(C)C(=O)[O-])cs1)C(C)C ZINC000029042968 561991742 /nfs/dbraw/zinc/99/17/42/561991742.db2.gz WAFIOHPHCPHPIP-CYKFSWNWSA-N -1 0 669.889 4.324 1 0 KIAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cs1)C(C)C ZINC000029043143 561991905 /nfs/dbraw/zinc/99/19/05/561991905.db2.gz UTROKXVHDAJHMN-MHODHZNISA-N -1 0 655.862 4.078 1 0 KIAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cs1)C(C)C ZINC000029043225 561991912 /nfs/dbraw/zinc/99/19/12/561991912.db2.gz UTROKXVHDAJHMN-BQHSLXGWSA-N -1 0 655.862 4.078 1 0 KIAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OC[C@@H](O)c3nc(-c4ccccc4)oc3CO)cc2)cc1 ZINC000029043292 561991930 /nfs/dbraw/zinc/99/19/30/561991930.db2.gz OODRCEMTQNDYEZ-XMMPIXPASA-N -1 0 548.548 4.041 1 0 KIAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OC[C@H](O)c3nc(-c4ccccc4)oc3CO)cc2)cc1 ZINC000029043294 561991903 /nfs/dbraw/zinc/99/19/03/561991903.db2.gz OODRCEMTQNDYEZ-DEOSSOPVSA-N -1 0 548.548 4.041 1 0 KIAFRM Cc1c(C(=O)[O-])cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)c12 ZINC000029048632 561993681 /nfs/dbraw/zinc/99/36/81/561993681.db2.gz QVQKGLPFJBYLAV-UHFFFAOYSA-N -1 0 504.522 4.016 1 0 KIAFRM Cc1cc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)ccc1OCC(=O)[O-] ZINC000029051283 561994407 /nfs/dbraw/zinc/99/44/07/561994407.db2.gz IRBBUUVYWCUQCV-UHFFFAOYSA-N -1 0 509.609 4.368 1 0 KIAFRM O=C([O-])COc1c(F)cc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1F ZINC000029051486 561994454 /nfs/dbraw/zinc/99/44/54/561994454.db2.gz USRKGHSGWFSQKC-UHFFFAOYSA-N -1 0 531.562 4.338 1 0 KIAFRM O=[P@@]([O-])(O)Cc1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000029051966 561994467 /nfs/dbraw/zinc/99/44/67/561994467.db2.gz GRXUBGNQPYLDOJ-UHFFFAOYSA-N -1 0 515.553 4.274 1 0 KIAFRM O=C([O-])C(=O)Nc1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1Br ZINC000029052231 561994608 /nfs/dbraw/zinc/99/46/08/561994608.db2.gz VDZABPSMBKXAMX-UHFFFAOYSA-N -1 0 587.477 4.382 1 0 KIAFRM O=C([O-])c1cccc(NC(=O)CN2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(c3ccccc3)C2=O)c1 ZINC000029061804 561995860 /nfs/dbraw/zinc/99/58/60/561995860.db2.gz SMBUONWXTIILJK-UHFFFAOYSA-N -1 0 541.564 4.146 1 0 KIAFRM COc1c(N2CCc3ccccc3[C@@H]2C(=O)NC(C)(C)C)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000029123136 561996450 /nfs/dbraw/zinc/99/64/50/561996450.db2.gz LCVHFIQFXOQEDU-JOCHJYFZSA-N -1 0 507.562 4.201 1 0 KIAFRM COc1c(N2CCc3ccccc3[C@H]2C(=O)NC(C)(C)C)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000029123137 561996485 /nfs/dbraw/zinc/99/64/85/561996485.db2.gz LCVHFIQFXOQEDU-QFIPXVFZSA-N -1 0 507.562 4.201 1 0 KIAFRM COc1c(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000029123647 561996807 /nfs/dbraw/zinc/99/68/07/561996807.db2.gz BIUQITIOADYVMM-UHFFFAOYSA-N -1 0 526.952 4.320 1 0 KIAFRM COc1ccc(N2C(=O)[C@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@@H]2C(=O)[O-])cn1 ZINC000029126570 561998753 /nfs/dbraw/zinc/99/87/53/561998753.db2.gz KJPHCDRIBYSNBO-ZEQKJWHPSA-N -1 0 513.550 4.334 1 0 KIAFRM COc1ccc(N2C(=O)[C@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@H]2C(=O)[O-])cn1 ZINC000029126571 561998763 /nfs/dbraw/zinc/99/87/63/561998763.db2.gz KJPHCDRIBYSNBO-BVAGGSTKSA-N -1 0 513.550 4.334 1 0 KIAFRM COc1ccc(N2C(=O)[C@@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@@H]2C(=O)[O-])cn1 ZINC000029126572 561998757 /nfs/dbraw/zinc/99/87/57/561998757.db2.gz KJPHCDRIBYSNBO-JYFHCDHNSA-N -1 0 513.550 4.334 1 0 KIAFRM COc1ccc(N2C(=O)[C@@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@H]2C(=O)[O-])cn1 ZINC000029126573 561998784 /nfs/dbraw/zinc/99/87/84/561998784.db2.gz KJPHCDRIBYSNBO-OZXSUGGESA-N -1 0 513.550 4.334 1 0 KIAFRM Cn1ncc(-n2cc(Br)cn2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000029127548 562000004 /nfs/dbraw/zinc/00/00/04/562000004.db2.gz GIBVKJAUAVSEML-SFHVURJKSA-N -1 0 591.249 4.128 1 0 KIAFRM Cn1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000029127781 562000212 /nfs/dbraw/zinc/00/02/12/562000212.db2.gz YOUZAJBMSLTNRU-QHCPKHFHSA-N -1 0 600.480 4.250 1 0 KIAFRM CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCc2ccccc2)CC(=O)NCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000029128264 562000741 /nfs/dbraw/zinc/00/07/41/562000741.db2.gz HJADQLXITVFXIY-SETSBSEESA-N -1 0 671.589 4.231 1 0 KIAFRM CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCc2ccccc2)CC(=O)NCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000029128265 562000739 /nfs/dbraw/zinc/00/07/39/562000739.db2.gz HJADQLXITVFXIY-QCDSWUKFSA-N -1 0 671.589 4.231 1 0 KIAFRM 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ZINC000029464247 562023736 /nfs/dbraw/zinc/02/37/36/562023736.db2.gz JBMMQCZBDFDLEC-KAYWLYCHSA-N -1 0 507.539 4.419 1 0 KIAFRM CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(C[C@@H](CCN2C(=O)c3cc4ccccc4cc3C2=O)C(=O)[O-])CCCCC1 ZINC000029465620 562024302 /nfs/dbraw/zinc/02/43/02/562024302.db2.gz QVLTZNDFIXVGFK-IRPSRAIASA-N -1 0 613.711 4.349 1 0 KIAFRM CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(C[C@H](CCN2C(=O)c3cc4ccccc4cc3C2=O)C(=O)[O-])CCCCC1 ZINC000029465623 562024278 /nfs/dbraw/zinc/02/42/78/562024278.db2.gz QVLTZNDFIXVGFK-SVEHJYQDSA-N -1 0 613.711 4.349 1 0 KIAFRM CCOc1ccc2c(c1)[C@H](c1cc(OC)c(OC)c(OC)c1)N(CC(=O)[O-])[C@@H]2c1ccc2c(c1)OCO2 ZINC000029473590 562025985 /nfs/dbraw/zinc/02/59/85/562025985.db2.gz JBMMQCZBDFDLEC-SXOMAYOGSA-N -1 0 507.539 4.419 1 0 KIAFRM O=c1[n-]c(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)n[nH]1 ZINC000029473675 562026089 /nfs/dbraw/zinc/02/60/89/562026089.db2.gz OYKIXMQKLMUJEK-RBUKOAKNSA-N -1 0 502.415 4.252 1 0 KIAFRM CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccc(-c2ccccc2)cc1)C[C@H](C)C(=O)[O-] ZINC000029474168 562026019 /nfs/dbraw/zinc/02/60/19/562026019.db2.gz ZSOMEDSWCCPXER-OEQAEZTDSA-N -1 0 516.638 4.495 1 0 KIAFRM NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2CC(c3cc(I)c([O-])c(I)c3)=NO2)cc1 ZINC000029475041 562026297 /nfs/dbraw/zinc/02/62/97/562026297.db2.gz ABGTXQWLLGMUSE-IBGZPJMESA-N -1 0 689.269 4.048 1 0 KIAFRM NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(c3cc(I)c([O-])c(I)c3)=NO2)cc1 ZINC000029475045 562026263 /nfs/dbraw/zinc/02/62/63/562026263.db2.gz ABGTXQWLLGMUSE-LJQANCHMSA-N -1 0 689.269 4.048 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c(n2)NCCC3)nc(Cl)c1-c1ccccc1)c1cccc(F)c1 ZINC000029480481 562027268 /nfs/dbraw/zinc/02/72/68/562027268.db2.gz HJLTYUKBSRWJDT-QHCPKHFHSA-N -1 0 591.043 4.400 1 0 KIAFRM CCCc1c(OCCOCCOc2cc3c(cc2C(C)=O)CC[C@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029485285 562028130 /nfs/dbraw/zinc/02/81/30/562028130.db2.gz YDJXKYOEANRESB-HSZRJFAPSA-N -1 0 500.544 4.003 1 0 KIAFRM CCCc1c(OCCOCCOc2cc3c(cc2C(C)=O)CC[C@@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029485288 562028099 /nfs/dbraw/zinc/02/80/99/562028099.db2.gz YDJXKYOEANRESB-QHCPKHFHSA-N -1 0 500.544 4.003 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c(n2)NCCC3)nc(Cl)c1C1CC1)c1cnc2ccccc2c1 ZINC000029488232 562028812 /nfs/dbraw/zinc/02/88/12/562028812.db2.gz KZUKILQARHOBHB-QHCPKHFHSA-N -1 0 588.068 4.020 1 0 KIAFRM COc1ccc(-c2c3c(c(=O)oc4cc(OS(=O)(=O)[O-])c(OC)cc34)n3c2-c2cc(OC)c(OC)c(OC)c2C[C@H]3O)cc1O ZINC000029548406 562030340 /nfs/dbraw/zinc/03/03/40/562030340.db2.gz NGKXLYIOYXEKKH-HSZRJFAPSA-N -1 0 641.607 4.059 1 0 KIAFRM COc1ccc(-c2c3c(c(=O)oc4cc(OS(=O)(=O)[O-])c(OC)cc34)n3c2-c2cc(OC)c(OC)c(OC)c2C[C@@H]3O)cc1O ZINC000029548410 562030443 /nfs/dbraw/zinc/03/04/43/562030443.db2.gz NGKXLYIOYXEKKH-QHCPKHFHSA-N -1 0 641.607 4.059 1 0 KIAFRM NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(C[P@@](=O)([O-])O)cc2)/C=C/C[C@@H](Cc2cccc3ccccc32)CNC1=O ZINC000029552795 562031427 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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 ZINC000029568252 562034917 /nfs/dbraw/zinc/03/49/17/562034917.db2.gz SFJVTILNSUYYFI-CLJLJLNGSA-N -1 0 625.792 4.190 1 0 KIAFRM COc1ccc(-c2c3c(c(=O)oc4cc(OC)c(O)cc34)n3c2-c2cc(OC)c(OS(=O)(=O)[O-])cc2CC3)cc1O ZINC000031706157 562036238 /nfs/dbraw/zinc/03/62/38/562036238.db2.gz LINBWIBAZJQWQY-UHFFFAOYSA-N -1 0 581.555 4.256 1 0 KIAFRM O=C([O-])c1cc(Cl)ccc1-c1ccc(/C=c2\sc3nc(=O)c4c5c(sc4n3c2=O)CCCC5)o1 ZINC000033701288 562037400 /nfs/dbraw/zinc/03/74/00/562037400.db2.gz GMZMCGWDPXYCHY-ZDLGFXPLSA-N -1 0 510.980 4.369 1 0 KIAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)Oc2cnccn2)c1 ZINC000034717786 562039997 /nfs/dbraw/zinc/03/99/97/562039997.db2.gz CASKZOPCCIBBBW-UHFFFAOYSA-N -1 0 502.527 4.367 1 0 KIAFRM O=C([O-])[C@H](CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000034801836 562041623 /nfs/dbraw/zinc/04/16/23/562041623.db2.gz HCCXAZUXAREIQT-NRFANRHFSA-N -1 0 549.479 4.291 1 0 KIAFRM O=C([O-])[C@@H](CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000034801837 562041653 /nfs/dbraw/zinc/04/16/53/562041653.db2.gz HCCXAZUXAREIQT-OAQYLSRUSA-N -1 0 549.479 4.291 1 0 KIAFRM O=C([O-])[C@H](CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000034801856 562041647 /nfs/dbraw/zinc/04/16/47/562041647.db2.gz NXLDFFHMRBRNMF-NRFANRHFSA-N -1 0 517.481 4.286 1 0 KIAFRM O=C([O-])[C@@H](CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000034801857 562041665 /nfs/dbraw/zinc/04/16/65/562041665.db2.gz NXLDFFHMRBRNMF-OAQYLSRUSA-N -1 0 517.481 4.286 1 0 KIAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(C(=O)NCc4ccccc4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802365 562041733 /nfs/dbraw/zinc/04/17/33/562041733.db2.gz FFZJOTGZMQUHMZ-UHFFFAOYSA-N -1 0 517.538 4.159 1 0 KIAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(C(=O)NCc4ccccc4F)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802368 562041862 /nfs/dbraw/zinc/04/18/62/562041862.db2.gz FWIRQPTYAFFUNS-UHFFFAOYSA-N -1 0 535.528 4.299 1 0 KIAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(C(=O)NCc4cccc(F)c4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802370 562041919 /nfs/dbraw/zinc/04/19/19/562041919.db2.gz CACMQTZSAXPCFI-UHFFFAOYSA-N -1 0 535.528 4.299 1 0 KIAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(C(=O)NCc4ccc(F)cc4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802373 562041910 /nfs/dbraw/zinc/04/19/10/562041910.db2.gz HXWAXUQSZMRTTE-UHFFFAOYSA-N -1 0 535.528 4.299 1 0 KIAFRM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccn5)no4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802381 562041856 /nfs/dbraw/zinc/04/18/56/562041856.db2.gz FUUSOAVBYCIIOJ-UHFFFAOYSA-N -1 0 529.509 4.341 1 0 KIAFRM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4nc(-c5cccnc5)no4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802385 562041843 /nfs/dbraw/zinc/04/18/43/562041843.db2.gz ONEARHBMUZXDAC-UHFFFAOYSA-N -1 0 529.509 4.341 1 0 KIAFRM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4nc(-c5ccncc5)no4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802388 562041847 /nfs/dbraw/zinc/04/18/47/562041847.db2.gz QKSNNIINMGAXNH-UHFFFAOYSA-N -1 0 529.509 4.341 1 0 KIAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(C(=O)Nc4ccccc4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802396 562041901 /nfs/dbraw/zinc/04/19/01/562041901.db2.gz NWCAKMHOURFTPM-UHFFFAOYSA-N -1 0 503.511 4.482 1 0 KIAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc21 ZINC000034948584 562044134 /nfs/dbraw/zinc/04/41/34/562044134.db2.gz HCPMLAAHDBJLCK-UHFFFAOYSA-N -1 0 500.960 4.441 1 0 KIAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c1cc(C(=O)Nc1ccc(C(=O)[O-])cc1)cc2C ZINC000034948593 562044135 /nfs/dbraw/zinc/04/41/35/562044135.db2.gz AFPOJEVGADOZQT-UHFFFAOYSA-N -1 0 500.960 4.359 1 0 in-vitro KIAFRM COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[O-])c2cc(-c3cccc(Cl)c3)ccc2n1 ZINC000034948597 562044128 /nfs/dbraw/zinc/04/41/28/562044128.db2.gz LTZGVONWBPMCBP-DEOSSOPVSA-N -1 0 504.926 4.473 1 0 in-vitro KIAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c1cc(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)cc2C ZINC000034948760 562044210 /nfs/dbraw/zinc/04/42/10/562044210.db2.gz RWQHLBWQIJKZRP-UHFFFAOYSA-N -1 0 518.950 4.498 1 0 KIAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC000034949822 562044154 /nfs/dbraw/zinc/04/41/54/562044154.db2.gz BGEFVKLBAGSGGD-UHFFFAOYSA-N -1 0 504.923 4.190 1 0 KIAFRM C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3Cl)cc2)cc1 ZINC000035802910 562045342 /nfs/dbraw/zinc/04/53/42/562045342.db2.gz PZYBHVNEGCWQOZ-DEOSSOPVSA-N -1 0 504.907 4.394 1 0 KIAFRM COC[C@H]1C[C@@](Cn2cccn2)(C(=O)[O-])N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1 ZINC000035836356 562045511 /nfs/dbraw/zinc/04/55/11/562045511.db2.gz HLQXYDHLDZTWDW-KAWPREARSA-N -1 0 512.632 4.019 1 0 KIAFRM CC(C)CC(C)(CC(C)C)OC(=O)C[C@@H](C)NC(=O)C1=NO[C@H](C([O-])(C(F)(F)F)C(F)(F)F)C1 ZINC000035851091 562045504 /nfs/dbraw/zinc/04/55/04/562045504.db2.gz KPWQUSYVHGMYLF-HIFRSBDPSA-N -1 0 506.484 4.276 1 0 KIAFRM CC(C)CC(C)(CC(C)C)OC(=O)C[C@H](C)NC(=O)C1=NO[C@H](C([O-])(C(F)(F)F)C(F)(F)F)C1 ZINC000035851092 562045523 /nfs/dbraw/zinc/04/55/23/562045523.db2.gz KPWQUSYVHGMYLF-ZFWWWQNUSA-N -1 0 506.484 4.276 1 0 KIAFRM CC(C)CC(C)(CC(C)C)OC(=O)C[C@@H](C)NC(=O)C1=NO[C@@H](C([O-])(C(F)(F)F)C(F)(F)F)C1 ZINC000035851093 562045532 /nfs/dbraw/zinc/04/55/32/562045532.db2.gz KPWQUSYVHGMYLF-UKRRQHHQSA-N -1 0 506.484 4.276 1 0 KIAFRM CC(C)CC(C)(CC(C)C)OC(=O)C[C@H](C)NC(=O)C1=NO[C@@H](C([O-])(C(F)(F)F)C(F)(F)F)C1 ZINC000035851094 562045540 /nfs/dbraw/zinc/04/55/40/562045540.db2.gz KPWQUSYVHGMYLF-DZGCQCFKSA-N -1 0 506.484 4.276 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088418 562046139 /nfs/dbraw/zinc/04/61/39/562046139.db2.gz NSQSQIVTSSJRCP-YADHBBJMSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088422 562046153 /nfs/dbraw/zinc/04/61/53/562046153.db2.gz NSQSQIVTSSJRCP-FGZHOGPDSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cc(Cl)ccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088438 562046241 /nfs/dbraw/zinc/04/62/41/562046241.db2.gz DZYRAPRZUDJMTO-RTWAWAEBSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cc(Cl)ccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088442 562046332 /nfs/dbraw/zinc/04/63/32/562046332.db2.gz DZYRAPRZUDJMTO-SFTDATJTSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cc(Cl)ccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088445 562046304 /nfs/dbraw/zinc/04/63/04/562046304.db2.gz DZYRAPRZUDJMTO-NHCUHLMSSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cc(Cl)ccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088448 562046326 /nfs/dbraw/zinc/04/63/26/562046326.db2.gz DZYRAPRZUDJMTO-LEWJYISDSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(Cl)c3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088524 562046336 /nfs/dbraw/zinc/04/63/36/562046336.db2.gz AOIISQPNMDIGBX-CTNGQTDRSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(Cl)c3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088527 562046295 /nfs/dbraw/zinc/04/62/95/562046295.db2.gz AOIISQPNMDIGBX-FPOVZHCZSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(Cl)c3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088531 562046288 /nfs/dbraw/zinc/04/62/88/562046288.db2.gz AOIISQPNMDIGBX-TZIWHRDSSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(Cl)c3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088534 562046257 /nfs/dbraw/zinc/04/62/57/562046257.db2.gz AOIISQPNMDIGBX-PZJWPPBQSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088553 562046278 /nfs/dbraw/zinc/04/62/78/562046278.db2.gz IUSRDUUOEWJJRX-YADHBBJMSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088556 562046267 /nfs/dbraw/zinc/04/62/67/562046267.db2.gz IUSRDUUOEWJJRX-VXKWHMMOSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088560 562046323 /nfs/dbraw/zinc/04/63/23/562046323.db2.gz IUSRDUUOEWJJRX-FGZHOGPDSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088563 562046292 /nfs/dbraw/zinc/04/62/92/562046292.db2.gz IUSRDUUOEWJJRX-FCHUYYIVSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3c(Cl)cccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088614 562046351 /nfs/dbraw/zinc/04/63/51/562046351.db2.gz DSGYPOICSLLFBT-RTWAWAEBSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3c(Cl)cccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088617 562046445 /nfs/dbraw/zinc/04/64/45/562046445.db2.gz DSGYPOICSLLFBT-SFTDATJTSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3c(Cl)cccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088620 562046426 /nfs/dbraw/zinc/04/64/26/562046426.db2.gz DSGYPOICSLLFBT-NHCUHLMSSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3c(Cl)cccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088623 562046389 /nfs/dbraw/zinc/04/63/89/562046389.db2.gz DSGYPOICSLLFBT-LEWJYISDSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088780 562046524 /nfs/dbraw/zinc/04/65/24/562046524.db2.gz BFFJQDOUMXTACX-IRLDBZIGSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088783 562046672 /nfs/dbraw/zinc/04/66/72/562046672.db2.gz BFFJQDOUMXTACX-UNMCSNQZSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088787 562046649 /nfs/dbraw/zinc/04/66/49/562046649.db2.gz BFFJQDOUMXTACX-IFMALSPDSA-N -1 0 579.487 4.023 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(Cl)cc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088793 562046667 /nfs/dbraw/zinc/04/66/67/562046667.db2.gz BFFJQDOUMXTACX-RBBKRZOGSA-N -1 0 579.487 4.023 1 0 KIAFRM COc1ccc2[nH]c([C@@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036088861 562046652 /nfs/dbraw/zinc/04/66/52/562046652.db2.gz OCUSSLOAZHSQMT-WDYNHAJCSA-N -1 0 616.721 4.392 1 0 KIAFRM COc1ccc2[nH]c([C@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036088864 562046618 /nfs/dbraw/zinc/04/66/18/562046618.db2.gz OCUSSLOAZHSQMT-VMPREFPWSA-N -1 0 616.721 4.392 1 0 KIAFRM COc1ccc2[nH]c([C@@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036088867 562046656 /nfs/dbraw/zinc/04/66/56/562046656.db2.gz OCUSSLOAZHSQMT-FQLXRVMXSA-N -1 0 616.721 4.392 1 0 KIAFRM COc1ccc2[nH]c([C@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036088870 562046599 /nfs/dbraw/zinc/04/65/99/562046599.db2.gz OCUSSLOAZHSQMT-URLMMPGGSA-N -1 0 616.721 4.392 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4c(cccc4O)[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088873 562046680 /nfs/dbraw/zinc/04/66/80/562046680.db2.gz QAURDWWMPCTWPG-BDYUSTAISA-N -1 0 602.694 4.089 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4c(cccc4O)[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088876 562046645 /nfs/dbraw/zinc/04/66/45/562046645.db2.gz QAURDWWMPCTWPG-VPUSJEBWSA-N -1 0 602.694 4.089 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4c(cccc4O)[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088879 562046634 /nfs/dbraw/zinc/04/66/34/562046634.db2.gz QAURDWWMPCTWPG-AHKZPQOWSA-N -1 0 602.694 4.089 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4c(cccc4O)[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088884 562046615 /nfs/dbraw/zinc/04/66/15/562046615.db2.gz QAURDWWMPCTWPG-XNMGPUDCSA-N -1 0 602.694 4.089 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088915 562046803 /nfs/dbraw/zinc/04/68/03/562046803.db2.gz RWPOQZPGBVLTES-NSOVKSMOSA-N -1 0 586.695 4.383 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088919 562046779 /nfs/dbraw/zinc/04/67/79/562046779.db2.gz RWPOQZPGBVLTES-IZLXSDGUSA-N -1 0 586.695 4.383 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088923 562046745 /nfs/dbraw/zinc/04/67/45/562046745.db2.gz RWPOQZPGBVLTES-WUFINQPMSA-N -1 0 586.695 4.383 1 0 KIAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088926 562046786 /nfs/dbraw/zinc/04/67/86/562046786.db2.gz RWPOQZPGBVLTES-VSGBNLITSA-N -1 0 586.695 4.383 1 0 KIAFRM O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(n2nc(-c3ccccc3)[n-]c2=O)CC1 ZINC000036177915 562049585 /nfs/dbraw/zinc/04/95/85/562049585.db2.gz SAPYIDWHUPVUPO-MHZLTWQESA-N -1 0 603.605 4.358 1 0 KIAFRM O=C([O-])c1ccc(OC/C=C/Cn2c(=O)n(Cc3ccccc3)c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000036310645 562055030 /nfs/dbraw/zinc/05/50/30/562055030.db2.gz VWCQLSSEJAOHFX-ZHACJKMWSA-N -1 0 575.621 4.191 1 0 KIAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000036330710 562055928 /nfs/dbraw/zinc/05/59/28/562055928.db2.gz BAAVBNWTQPDVQS-VMPREFPWSA-N -1 0 589.737 4.200 1 0 KIAFRM O=C([O-])[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@H]1c1ccco1 ZINC000036419311 562060718 /nfs/dbraw/zinc/06/07/18/562060718.db2.gz MJALIDLCKKMBSW-FLWBZKNBSA-N -1 0 516.594 4.075 1 0 KIAFRM COC(=O)c1cn(C[C@H](CC2Cc3ccccc3C2)[C@H](O)c2cc(OC)c(C)c(OC)c2)cc1CC(=O)[O-] ZINC000036436532 562672721 /nfs/dbraw/zinc/67/27/21/562672721.db2.gz PMPFDANPLYTSTM-PWUYWRBVSA-N -1 0 521.610 4.382 1 0 in-vitro KIAFRM CC(=O)SCC[C@@H](CCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)SC(C)=O ZINC000036757854 562061305 /nfs/dbraw/zinc/06/13/05/562061305.db2.gz WZYHYLGLNJTVHU-FGZHOGPDSA-N -1 0 554.756 4.296 1 0 KIAFRM CC(=O)SCC[C@H](CCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)SC(C)=O ZINC000036757855 562061296 /nfs/dbraw/zinc/06/12/96/562061296.db2.gz WZYHYLGLNJTVHU-FCHUYYIVSA-N -1 0 554.756 4.296 1 0 KIAFRM CC(=O)SCC[C@@H](CCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)SC(C)=O ZINC000036757856 562061385 /nfs/dbraw/zinc/06/13/85/562061385.db2.gz WZYHYLGLNJTVHU-YADHBBJMSA-N -1 0 554.756 4.296 1 0 KIAFRM CC(=O)SCC[C@H](CCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)SC(C)=O ZINC000036757857 562061277 /nfs/dbraw/zinc/06/12/77/562061277.db2.gz WZYHYLGLNJTVHU-VXKWHMMOSA-N -1 0 554.756 4.296 1 0 KIAFRM O=C([O-])CCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000038372504 562071395 /nfs/dbraw/zinc/07/13/95/562071395.db2.gz GXROPRYKIVOUEO-ABYGYWHVSA-N -1 0 640.966 4.165 1 0 KIAFRM COCCC1(C(=O)N[C@@H](Cc2ccc(-c3c(=O)n(C)c(C)cc3C(F)(F)F)cc2)C(=O)[O-])CCCC1 ZINC000038474704 562072069 /nfs/dbraw/zinc/07/20/69/562072069.db2.gz PBIAFEAQIMQDNE-FQEVSTJZSA-N -1 0 508.537 4.088 1 0 KIAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C2)cc1 ZINC000038749918 562072334 /nfs/dbraw/zinc/07/23/34/562072334.db2.gz CRKNWMIOLWHWIA-UHFFFAOYSA-N -1 0 501.358 4.104 1 0 KIAFRM C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](OC(=O)CCC(=O)[O-])C/C=C/C=C\C(=O)O1 ZINC000039071676 562072725 /nfs/dbraw/zinc/07/27/25/562072725.db2.gz QPJULYYJHQTWML-GIDLKBJSSA-N -1 0 502.604 4.108 1 0 KIAFRM CC(C)NS(=O)(=O)c1ccccc1-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c([O-])c2ncccc21 ZINC000040393223 562073933 /nfs/dbraw/zinc/07/39/33/562073933.db2.gz KPBYAVZJPLTINC-UHFFFAOYSA-N -1 0 519.558 4.469 1 0 KIAFRM CN(C)S(=O)(=O)c1ccccc1-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c([O-])c2ncccc21 ZINC000040393545 562074118 /nfs/dbraw/zinc/07/41/18/562074118.db2.gz YPTDIWSESNLMTB-UHFFFAOYSA-N -1 0 505.531 4.033 1 0 KIAFRM CCCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)C)CC3)s2)cc1 ZINC000040395369 562074494 /nfs/dbraw/zinc/07/44/94/562074494.db2.gz CODHXMDFRPLWJO-JOCHJYFZSA-N -1 0 524.661 4.192 1 0 KIAFRM Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(=O)[O-])c4ccccc43)c(Cl)c2)n1 ZINC000040422162 562075915 /nfs/dbraw/zinc/07/59/15/562075915.db2.gz LQUBGKQHGZLFAC-UYRXBGFRSA-N -1 0 514.916 4.104 1 0 KIAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000040423329 562076178 /nfs/dbraw/zinc/07/61/78/562076178.db2.gz BUSSTZHQFNNSKW-UHFFFAOYSA-N -1 0 515.385 4.147 1 0 KIAFRM COc1ccc(-c2csc(-c3ccc(S(=O)(=O)N[C@H](C(=O)CCC(=O)[O-])C(C)C)cc3)n2)cc1 ZINC000040632387 562078670 /nfs/dbraw/zinc/07/86/70/562078670.db2.gz GPCRWNMOLNNODH-QHCPKHFHSA-N -1 0 502.614 4.223 1 0 KIAFRM COc1ccc(-c2csc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)CCC(=O)[O-])C(C)C)cc3)n2)cc1 ZINC000040632389 562078648 /nfs/dbraw/zinc/07/86/48/562078648.db2.gz GPCRWNMOLNNODH-HSZRJFAPSA-N -1 0 502.614 4.223 1 0 KIAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000040812337 562079884 /nfs/dbraw/zinc/07/98/84/562079884.db2.gz VRRCAANWCYXSLC-UHFFFAOYSA-N -1 0 515.385 4.147 1 0 KIAFRM CS(=O)(=O)Oc1cccc(CN(C(=O)C(=O)[O-])c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c1 ZINC000040863036 562080899 /nfs/dbraw/zinc/08/08/99/562080899.db2.gz UNBHNDYYLBZCQP-UHFFFAOYSA-N -1 0 509.458 4.208 1 0 KIAFRM CN(C)S(=O)(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c([O-])c3ncccc32)cc1 ZINC000040872329 562081562 /nfs/dbraw/zinc/08/15/62/562081562.db2.gz NXCMMNZJDXSXPD-UHFFFAOYSA-N -1 0 505.531 4.033 1 0 KIAFRM CC(C)NS(=O)(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c([O-])c3ncccc23)cc1 ZINC000040872475 562081691 /nfs/dbraw/zinc/08/16/91/562081691.db2.gz YWUITJZSFYRDLL-UHFFFAOYSA-N -1 0 519.558 4.469 1 0 KIAFRM O=C(COc1cccc2[nH]cc(Sc3ncc[nH]3)c21)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000040873985 562081758 /nfs/dbraw/zinc/08/17/58/562081758.db2.gz OKHHKWUSHPIDPH-UHFFFAOYSA-N -1 0 503.414 4.294 1 0 KIAFRM CCCCOC(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OCC)cc3)s2)C(=O)[O-])CC1 ZINC000040875297 562082042 /nfs/dbraw/zinc/08/20/42/562082042.db2.gz KLPSRFNMJRNHAH-JOCHJYFZSA-N -1 0 524.661 4.194 1 0 KIAFRM CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC000040875559 562082177 /nfs/dbraw/zinc/08/21/77/562082177.db2.gz QMVNJTOFWDRCOS-HSZRJFAPSA-N -1 0 518.632 4.131 1 0 KIAFRM CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OCC(C)C)CC3)s2)cc1 ZINC000040875845 562082186 /nfs/dbraw/zinc/08/21/86/562082186.db2.gz VZIBNJOTVVYOSZ-JOCHJYFZSA-N -1 0 524.661 4.050 1 0 KIAFRM CC(C)OC(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC(C)C)cc3)s2)C(=O)[O-])CC1 ZINC000040876099 562082184 /nfs/dbraw/zinc/08/21/84/562082184.db2.gz OFCXTZZJEVUZRH-JOCHJYFZSA-N -1 0 524.661 4.191 1 0 KIAFRM CCOc1cccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)s2)c1 ZINC000040878643 562082466 /nfs/dbraw/zinc/08/24/66/562082466.db2.gz CIXCMGCFZKHJDV-OAQYLSRUSA-N -1 0 524.661 4.192 1 0 KIAFRM CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1 ZINC000040880705 562082643 /nfs/dbraw/zinc/08/26/43/562082643.db2.gz WCUFVZOKFLTYIS-OAQYLSRUSA-N -1 0 524.661 4.192 1 0 KIAFRM CC(C)C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[O-] ZINC000040919137 562084495 /nfs/dbraw/zinc/08/44/95/562084495.db2.gz RBXJYCNCFOQUKN-SVBPBHIXSA-N -1 0 514.622 4.121 1 0 KIAFRM CC(C)C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)[O-] ZINC000040919138 562084426 /nfs/dbraw/zinc/08/44/26/562084426.db2.gz RBXJYCNCFOQUKN-SXOMAYOGSA-N -1 0 514.622 4.121 1 0 KIAFRM C[C@@]12CC(=O)N(Cc3ccc(F)cc3)C1=C(/C=C/C(=O)[N-]S(=O)(=O)c1cc(F)cc(F)c1)CCC2 ZINC000040919143 562084494 /nfs/dbraw/zinc/08/44/94/562084494.db2.gz IZNSOMPKJNNNDI-UPXASZCJSA-N -1 0 504.530 4.342 1 0 KIAFRM COc1cccc(CN2C(=O)C[C@]3(C)CCCC(/C=C/C(=O)[N-]S(=O)(=O)c4cc(F)cc(F)c4)=C23)c1 ZINC000040919144 562084432 /nfs/dbraw/zinc/08/44/32/562084432.db2.gz NLNDZCJSPMCFFN-MXINKLCTSA-N -1 0 516.566 4.211 1 0 KIAFRM COc1cccc(CN2C(=O)C[C@@]3(C)CCCC(/C=C/C(=O)[N-]S(=O)(=O)c4cc(F)cc(F)c4)=C23)c1 ZINC000040919145 562084436 /nfs/dbraw/zinc/08/44/36/562084436.db2.gz NLNDZCJSPMCFFN-ZPLOFBHDSA-N -1 0 516.566 4.211 1 0 KIAFRM CC(C)C[C@H](NC(=O)CC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[O-] ZINC000040919236 562084589 /nfs/dbraw/zinc/08/45/89/562084589.db2.gz BSPGDQQJNKKETA-SVBPBHIXSA-N -1 0 512.606 4.101 1 0 KIAFRM CC(C)C[C@H](NC(=O)CC1c2ccccc2-c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)[O-] ZINC000040919237 562084614 /nfs/dbraw/zinc/08/46/14/562084614.db2.gz BSPGDQQJNKKETA-SXOMAYOGSA-N -1 0 512.606 4.101 1 0 KIAFRM COc1cccc(CN2C(=O)C[C@]3(C)CCCC(/C=C/C(=O)[N-]S(=O)(=O)c4ccc(F)c(F)c4)=C23)c1 ZINC000040934653 562084822 /nfs/dbraw/zinc/08/48/22/562084822.db2.gz KLSVHZDRIZUKOZ-MLYOZINFSA-N -1 0 516.566 4.211 1 0 KIAFRM COc1cccc(CN2C(=O)C[C@@]3(C)CCCC(/C=C/C(=O)[N-]S(=O)(=O)c4ccc(F)c(F)c4)=C23)c1 ZINC000040934655 562084811 /nfs/dbraw/zinc/08/48/11/562084811.db2.gz KLSVHZDRIZUKOZ-MUNMYPBESA-N -1 0 516.566 4.211 1 0 KIAFRM C[C@]12CC(=O)N(Cc3ccc(F)cc3)C1=C(/C=C/C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)CCC2 ZINC000040935535 562085002 /nfs/dbraw/zinc/08/50/02/562085002.db2.gz KWSLUGGHBJDVHK-DIPILFDCSA-N -1 0 504.530 4.342 1 0 KIAFRM C[C@@]12CC(=O)N(Cc3ccc(F)cc3)C1=C(/C=C/C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)CCC2 ZINC000040935537 562084966 /nfs/dbraw/zinc/08/49/66/562084966.db2.gz KWSLUGGHBJDVHK-OFFQSKLJSA-N -1 0 504.530 4.342 1 0 KIAFRM Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3C(=O)N3CCC(CC(=O)[O-])CC3)cc2o1 ZINC000040935571 562084967 /nfs/dbraw/zinc/08/49/67/562084967.db2.gz RNONHKYHQFSZDY-REWPJTCUSA-N -1 0 522.577 4.075 1 0 KIAFRM COc1cccc2c1CCN(S(=O)(=O)c1cccc(C(=O)Nc3ccc(Cl)cc3C(=O)[O-])c1)C2 ZINC000040943237 562085731 /nfs/dbraw/zinc/08/57/31/562085731.db2.gz VSJKLRGRUBVDOK-UHFFFAOYSA-N -1 0 500.960 4.046 1 0 KIAFRM O=C([O-])c1ccc(Br)cc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000040943241 562085810 /nfs/dbraw/zinc/08/58/10/562085810.db2.gz KLJBPOPFORASKN-UHFFFAOYSA-N -1 0 515.385 4.147 1 0 KIAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NCCc3cccs3)cc12)C(=O)[O-] ZINC000040952866 562086274 /nfs/dbraw/zinc/08/62/74/562086274.db2.gz LIBJLMBRYDKFLR-QFIPXVFZSA-N -1 0 515.613 4.399 1 0 KIAFRM COc1ccc2c(c1)CCN(S(=O)(=O)c1cccc(C(=O)Nc3ccc(Cl)cc3C(=O)[O-])c1)C2 ZINC000040976330 562087181 /nfs/dbraw/zinc/08/71/81/562087181.db2.gz FYIPIRTZBJMPOQ-UHFFFAOYSA-N -1 0 500.960 4.046 1 0 KIAFRM Cn1c2cc(S(=O)(=O)NCCn3cccc3)c([O-])cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000042852181 581095682 /nfs/dbraw/zinc/09/56/82/581095682.db2.gz AZMMYOSJQFVWKQ-UHFFFAOYSA-N -1 0 549.008 4.021 1 0 KIAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(NC(=O)NCCc3cccs3)ccc12)C(=O)[O-] ZINC000042990123 581095290 /nfs/dbraw/zinc/09/52/90/581095290.db2.gz FFGHBWJVBSUBKN-QFIPXVFZSA-N -1 0 515.613 4.399 1 0 KIAFRM COc1cc(-c2cc(SC)nc([N-]c3nc(NC(C)C)nc(NC(C)C)n3)n2)cc(OC)c1OC ZINC000043070501 562645493 /nfs/dbraw/zinc/64/54/93/562645493.db2.gz YDSSMUVBJXZFAZ-UHFFFAOYSA-N -1 0 500.629 4.461 1 0 KIAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCCCC)cc(-c3ccccc3)n2)CC1 ZINC000043077150 562645733 /nfs/dbraw/zinc/64/57/33/562645733.db2.gz MSIKIHIZSXJBEF-VWLOTQADSA-N -1 0 582.698 4.362 1 0 KIAFRM NS(=O)(=O)c1ccc(CNc2nc3cc(C(=O)[O-])ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000043079945 562645863 /nfs/dbraw/zinc/64/58/63/562645863.db2.gz OGIFZSUIVPCFBC-UHFFFAOYSA-N -1 0 504.490 4.061 1 0 KIAFRM CCCNc1nc([N-]c2nc(SC)cc(-c3cc(OC)c(OC)c(OC)c3)n2)nc(NCCC)n1 ZINC000043119447 562645996 /nfs/dbraw/zinc/64/59/96/562645996.db2.gz JTSJQDSQHDXZKJ-UHFFFAOYSA-N -1 0 500.629 4.464 1 0 KIAFRM Cc1c(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc3)cc2)oc2cccc(NS(C)(=O)=O)c12 ZINC000043120302 562646112 /nfs/dbraw/zinc/64/61/12/562646112.db2.gz FSIUHCOQNBURSE-VWLOTQADSA-N -1 0 599.687 4.420 1 0 KIAFRM CCc1cc2c(nc(NC(=O)NCCC(=O)[O-])nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000043132386 562646366 /nfs/dbraw/zinc/64/63/66/562646366.db2.gz MRJFWAKBBGDLEI-UHFFFAOYSA-N -1 0 558.664 4.479 1 0 KIAFRM COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[O-])c2cc(-c3ccccc3Cl)ccc2n1 ZINC000043152426 562646392 /nfs/dbraw/zinc/64/63/92/562646392.db2.gz KRJBPRIWWMVZOX-DEOSSOPVSA-N -1 0 504.926 4.473 1 0 KIAFRM O=S(=O)([N-][C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)C(F)(F)F ZINC000043154114 562646498 /nfs/dbraw/zinc/64/64/98/562646498.db2.gz UCUHPRBZQBMMNA-MVBJNABHSA-N -1 0 545.935 4.288 1 0 KIAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c1cc(C(=O)Nc1ccc(CC(=O)[O-])cc1)cc2C ZINC000043196323 562646786 /nfs/dbraw/zinc/64/67/86/562646786.db2.gz GYDPKHXPGFTSDC-UHFFFAOYSA-N -1 0 514.987 4.288 1 0 KIAFRM CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CCC(=O)Nc3ccc(Cl)cn3)sc2C1 ZINC000043200607 562646894 /nfs/dbraw/zinc/64/68/94/562646894.db2.gz URIGUYOGTATLRP-UHFFFAOYSA-N -1 0 528.034 4.480 1 0 KIAFRM CNC(=O)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000043544065 562649592 /nfs/dbraw/zinc/64/95/92/562649592.db2.gz VGVWVIZTNNCNOJ-UHFFFAOYSA-N -1 0 564.561 4.129 1 0 KIAFRM Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1S(=O)(=O)NC1Cc2ccccc2C1 ZINC000043552544 562649632 /nfs/dbraw/zinc/64/96/32/562649632.db2.gz APIZNSQLKSIOBD-UHFFFAOYSA-N -1 0 529.412 4.154 1 0 KIAFRM COc1ccc(N(C)S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2)cc1 ZINC000043552930 562649717 /nfs/dbraw/zinc/64/97/17/562649717.db2.gz UBJCQJZDIFHXBI-UHFFFAOYSA-N -1 0 519.373 4.233 1 0 KIAFRM CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]34CO[C@]21C[C@@H](O)[C@@]3(O)C[C@@H](OS(=O)(=O)[O-])CC4 ZINC000043562110 562649761 /nfs/dbraw/zinc/64/97/61/562649761.db2.gz QPVBWEUWNJWRLD-XPVUCKRVSA-N -1 0 512.709 4.290 1 0 in-vitro KIAFRM CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4cc(C(=O)[O-])ccc4[nH]3)[C@H]2SC1 ZINC000043648979 562650554 /nfs/dbraw/zinc/65/05/54/562650554.db2.gz CLFPAJYXOPXRFZ-UFHPHHKVSA-N -1 0 598.637 4.107 1 0 KIAFRM CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4cc(C(=O)[O-])ccc4[nH]3)[C@@H]2SC1 ZINC000043648982 562650594 /nfs/dbraw/zinc/65/05/94/562650594.db2.gz CLFPAJYXOPXRFZ-YWEHKCAJSA-N -1 0 598.637 4.107 1 0 KIAFRM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)[P@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000043664284 562650684 /nfs/dbraw/zinc/65/06/84/562650684.db2.gz SYVJJGYFVAFQSH-SXASJSGMSA-N -1 0 612.708 4.149 1 0 KIAFRM C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)CCC(=O)[O-])Cc1ccccc1 ZINC000043677024 562650752 /nfs/dbraw/zinc/65/07/52/562650752.db2.gz GSYVDJLSYYQNDQ-MVTZBWMBSA-N -1 0 590.721 4.483 1 0 KIAFRM O=C1C=C([O-])C([C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)cc2)=C2OC(c3ccc(O)cc3)C(=O)C(O)=C12 ZINC000044306944 562653910 /nfs/dbraw/zinc/65/39/10/562653910.db2.gz ZQUOQMBQCOHMKD-YWEHKCAJSA-N -1 0 556.479 4.499 1 0 KIAFRM CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc([C@H]4CCN(C)CC4(F)F)cc3)ncc2c1=O ZINC000044307177 562653935 /nfs/dbraw/zinc/65/39/35/562653935.db2.gz QZCQOYQWDNEOJU-RUZDIDTESA-N -1 0 560.605 4.359 1 0 KIAFRM CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc([C@@H]4CCN(C)CC4(F)F)cc3)ncc2c1=O ZINC000044307181 562653938 /nfs/dbraw/zinc/65/39/38/562653938.db2.gz QZCQOYQWDNEOJU-VWLOTQADSA-N -1 0 560.605 4.359 1 0 KIAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@H]3C(=O)NCC(=O)[O-])nc2-c2ccc(C)cc2)c1 ZINC000044351142 562654476 /nfs/dbraw/zinc/65/44/76/562654476.db2.gz QKHVTHLTEWQMRA-HKBQPEDESA-N -1 0 618.694 4.326 1 0 KIAFRM CN(C)c1ccc(-c2ccc(S(=O)(=O)N(CCN3CCCC3=O)[C@]3(C(=O)[O-])C[C@H]3c3ccccc3)cc2)cc1 ZINC000044351709 562654818 /nfs/dbraw/zinc/65/48/18/562654818.db2.gz FYYCOVHYMVLDFV-BHBYDHKZSA-N -1 0 547.677 4.044 1 0 KIAFRM CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@@]1(O)C[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](O)[C@]4(C)C(=O)[O-])[C@H]3CC[C@@H]12 ZINC000044351718 291830533 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CCN(CC)C(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(OCC(=O)N(CC)CC)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000049694897 562669956 /nfs/dbraw/zinc/66/99/56/562669956.db2.gz DQCHMRGPCMAMAF-ARPOTICCSA-N -1 0 706.745 4.248 1 0 KIAFRM CCN(CC)C(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(OCC(=O)N(CC)CC)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000049694898 562669941 /nfs/dbraw/zinc/66/99/41/562669941.db2.gz DQCHMRGPCMAMAF-JRYPVQGPSA-N -1 0 706.745 4.248 1 0 KIAFRM CCN(CC)C(=O)COc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(OCC(=O)N(CC)CC)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000049694899 562669918 /nfs/dbraw/zinc/66/99/18/562669918.db2.gz DQCHMRGPCMAMAF-GERKYKROSA-N -1 0 706.745 4.248 1 0 KIAFRM O=C([N-]S(=O)(=O)c1ccccc1)Nc1sc2c(c1C(=O)N1CCN(c3ccccc3)CC1)CCCCC2 ZINC000049708842 562671069 /nfs/dbraw/zinc/67/10/69/562671069.db2.gz JUXMUBDAQADJTO-UHFFFAOYSA-N -1 0 538.695 4.490 1 0 KIAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC(=O)N3CCC(OCC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049710332 562671640 /nfs/dbraw/zinc/67/16/40/562671640.db2.gz CKHLCTGRGOBIOE-NDEPHWFRSA-N -1 0 681.787 4.183 1 0 KIAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(=O)N(C)CCCC)cc(-c3ccccc3)n2)CC1 ZINC000049745002 562673590 /nfs/dbraw/zinc/67/35/90/562673590.db2.gz UDCPRUSAEPQIGG-SANMLTNESA-N -1 0 623.751 4.055 1 0 KIAFRM CO[C@@H]1[C@H](OC(=O)N[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)C(C)C)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C ZINC000049745069 562673627 /nfs/dbraw/zinc/67/36/27/562673627.db2.gz NZPMCGNUBDXFQP-KUUJWRHKSA-N -1 0 544.645 4.151 1 0 KIAFRM CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CCCc1ccccc1)CC(=O)[O-] ZINC000049745570 562673986 /nfs/dbraw/zinc/67/39/86/562673986.db2.gz BBZIHLZZGMQZAA-OEQAEZTDSA-N -1 0 531.653 4.081 1 0 KIAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C(=O)N(CC)CC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049745585 562673973 /nfs/dbraw/zinc/67/39/73/562673973.db2.gz ZSKGCJKMENGIGH-PMERELPUSA-N -1 0 692.858 4.268 1 0 KIAFRM 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ZINC000049780750 562682163 /nfs/dbraw/zinc/68/21/63/562682163.db2.gz JQUYKNPBPPJYBH-ZHACJKMWSA-N -1 0 617.532 4.496 1 0 KIAFRM CN(CCOc1cc(Cn2cccn2)ccc1CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000049780757 562682153 /nfs/dbraw/zinc/68/21/53/562682153.db2.gz ZWOPMKWUZFDTBT-UHFFFAOYSA-N -1 0 554.619 4.163 1 0 KIAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)[O-])N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000049780806 562682317 /nfs/dbraw/zinc/68/23/17/562682317.db2.gz NFIYYSBUCHTFNZ-LJAQVGFWSA-N -1 0 593.677 4.413 1 0 KIAFRM CCCCCc1ccccc1CCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000049781002 562682534 /nfs/dbraw/zinc/68/25/34/562682534.db2.gz ZRXNKRZQEGFFHJ-GMTSZFNJSA-N -1 0 667.807 4.048 1 0 KIAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)[O-])N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000049781081 562682588 /nfs/dbraw/zinc/68/25/88/562682588.db2.gz FDVKBDSFZLFDDE-NDEPHWFRSA-N -1 0 593.677 4.413 1 0 KIAFRM 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KIAFRM CC(C)(C)c1cc(C(=O)N2CCC(=O)N(Cc3nnn[n-]3)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000073199895 562736052 /nfs/dbraw/zinc/73/60/52/562736052.db2.gz QHLOUMZUMZRBEN-UHFFFAOYSA-N -1 0 565.487 4.384 1 0 KIAFRM Cc1oc(/C=C/CCC(C)C)nc1CCOc1ccc2c(c1)CN(C(=O)/C=C/C=C/CO)[C@H](C(=O)[O-])C2 ZINC000073222372 562736370 /nfs/dbraw/zinc/73/63/70/562736370.db2.gz CIGNRPWBYSQMEJ-PSJCJDSNSA-N -1 0 508.615 4.497 1 0 KIAFRM O=C([O-])c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(COCC(F)(F)F)c2)n1 ZINC000073222949 562736444 /nfs/dbraw/zinc/73/64/44/562736444.db2.gz JMAXYFWZAXLUMC-UKZKYTFVSA-N -1 0 530.590 4.163 1 0 KIAFRM CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)([O-])OC[C@H](O)CO ZINC000073240342 562736844 /nfs/dbraw/zinc/73/68/44/562736844.db2.gz RQEYOFDYHCIWTI-OLKYXYMISA-N -1 0 524.632 4.495 1 0 KIAFRM CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)([O-])OC[C@@H](O)CO ZINC000073240344 562736857 /nfs/dbraw/zinc/73/68/57/562736857.db2.gz RQEYOFDYHCIWTI-UARRHKHWSA-N -1 0 524.632 4.495 1 0 KIAFRM CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc([O-])c3nc(-c4ccc(F)cc4Cl)[nH]c32)cc1 ZINC000073315628 562738064 /nfs/dbraw/zinc/73/80/64/562738064.db2.gz AVYXLODEVMHRIU-UHFFFAOYSA-N -1 0 502.955 4.072 1 0 KIAFRM CC(C)S(=O)(=O)[N-]C(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F ZINC000082158177 562741077 /nfs/dbraw/zinc/74/10/77/562741077.db2.gz DOESXXRNYKGGNI-UHFFFAOYSA-N -1 0 501.967 4.305 1 0 KIAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(N)c2)cc1 ZINC000082158376 562741088 /nfs/dbraw/zinc/74/10/88/562741088.db2.gz TYQXQLWAMKVDSA-UHFFFAOYSA-N -1 0 548.024 4.103 1 0 KIAFRM Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)NCCc2ccccc2)C(C)C)cc1 ZINC000082165116 562741430 /nfs/dbraw/zinc/74/14/30/562741430.db2.gz WUSUWVUFTPGOOY-QVXXBSHFSA-N -1 0 728.891 4.480 1 0 KIAFRM NS(=O)(=O)C(F)(F)c1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Br ZINC000082165167 562741387 /nfs/dbraw/zinc/74/13/87/562741387.db2.gz FZLIVVKYVXXGCZ-UHFFFAOYSA-N -1 0 703.565 4.160 1 0 KIAFRM COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccc(-c3ccc(C(=O)[O-])cc3)cc2)NC(=O)O[C@H]2CCOC2)cc1 ZINC000082181729 562741926 /nfs/dbraw/zinc/74/19/26/562741926.db2.gz QNUAQQIBGZZSPH-LHGWWSMPSA-N -1 0 640.755 4.194 1 0 KIAFRM CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)C(F)(F)F ZINC000082190990 562742616 /nfs/dbraw/zinc/74/26/16/562742616.db2.gz ZWPLFWZKNKBVOQ-MUUNZHRXSA-N -1 0 639.002 4.201 1 0 KIAFRM CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)C(F)(F)F ZINC000082190992 562742652 /nfs/dbraw/zinc/74/26/52/562742652.db2.gz ZWPLFWZKNKBVOQ-NDEPHWFRSA-N -1 0 639.002 4.201 1 0 KIAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(Cc4ccccc4F)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000083749446 562742796 /nfs/dbraw/zinc/74/27/96/562742796.db2.gz NMVYGNISHMMTBE-DQEYMECFSA-N -1 0 586.642 4.272 1 0 KIAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1O ZINC000084154306 291830082 /nfs/dbraw/zinc/83/00/82/291830082.db2.gz IFIQVSCCFRXSJV-MUAWDCOLSA-N -1 0 504.708 4.148 1 0 biogenic,in-vitro KIAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000084394774 562742873 /nfs/dbraw/zinc/74/28/73/562742873.db2.gz ZBJNAHVLKNFOPP-RWSKJCERSA-N -1 0 628.774 4.489 1 0 KIAFRM CCCOc1ccc(S(=O)(=O)N2CCC(CC[P@](=O)([O-])OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000084489126 562743260 /nfs/dbraw/zinc/74/32/60/562743260.db2.gz DXXUNVOIAHGJJV-UHFFFAOYSA-N -1 0 609.686 4.078 1 0 KIAFRM COc1ccc2c(c1)onc2-n1c2ccccc2n(Cc2cc([C@@]3(C)OC(=O)[N-]C3=O)ccc2Cl)c1=O ZINC000084538133 562743308 /nfs/dbraw/zinc/74/33/08/562743308.db2.gz VCGPMOWAJJLSHO-AREMUKBSSA-N -1 0 518.913 4.125 1 0 KIAFRM CC(=O)Oc1c(I)c([O-])c2c(=O)cc(-c3ccccc3)oc2c1I ZINC000084587681 562743551 /nfs/dbraw/zinc/74/35/51/562743551.db2.gz HRFNZPJECXVSNL-UHFFFAOYSA-N -1 0 548.070 4.300 1 0 KIAFRM CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(S(=O)(=O)NCCC(=O)[O-])c2)s1 ZINC000084604736 562744298 /nfs/dbraw/zinc/74/42/98/562744298.db2.gz BWBHJOSRBCKAGS-UHFFFAOYSA-N -1 0 556.588 4.424 1 0 KIAFRM CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(S(=O)(=O)NCCC(=O)[O-])cc2)s1 ZINC000084604738 562744310 /nfs/dbraw/zinc/74/43/10/562744310.db2.gz FFTCVGLTTXXCKR-UHFFFAOYSA-N -1 0 556.588 4.424 1 0 KIAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)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 ZINC000084615508 562744470 /nfs/dbraw/zinc/74/44/70/562744470.db2.gz XDKGMIDCLQWLKM-XGAWWMSHSA-N -1 0 669.889 4.324 1 0 KIAFRM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1C)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 ZINC000084615514 562744476 /nfs/dbraw/zinc/74/44/76/562744476.db2.gz XDKGMIDCLQWLKM-IYRYVLLLSA-N -1 0 669.889 4.324 1 0 KIAFRM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(C(=O)N(C)C)c1 ZINC000084617346 562744818 /nfs/dbraw/zinc/74/48/18/562744818.db2.gz BLKQZCAICBYWEJ-UHFFFAOYSA-N -1 0 505.021 4.311 1 0 KIAFRM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(C)=O)c1 ZINC000084617849 562745038 /nfs/dbraw/zinc/74/50/38/562745038.db2.gz XJIPRGACXFXEME-UHFFFAOYSA-N -1 0 505.021 4.245 1 0 KIAFRM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1ccc(CNC(C)=O)cc1 ZINC000084617853 562744978 /nfs/dbraw/zinc/74/49/78/562744978.db2.gz SZTZWHBQSDZDGV-UHFFFAOYSA-N -1 0 505.021 4.245 1 0 KIAFRM COc1ccc(C(=O)c2cc(NC(=O)c3cc4ccccc4s3)ccc2NC(=O)C(=O)[O-])cc1OC ZINC000084633674 562745779 /nfs/dbraw/zinc/74/57/79/562745779.db2.gz PIUOQMYTDOLMJQ-UHFFFAOYSA-N -1 0 504.520 4.425 1 0 KIAFRM COc1ccc(C(=O)c2cc(NC(=O)c3csc4ccccc34)ccc2NC(=O)C(=O)[O-])cc1OC ZINC000084633676 562745782 /nfs/dbraw/zinc/74/57/82/562745782.db2.gz ZQUZKQMPIDUJBV-UHFFFAOYSA-N -1 0 504.520 4.425 1 0 KIAFRM CN1CCNc2nc(CCOc3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)[O-])cc3)ccc21 ZINC000084654032 562747192 /nfs/dbraw/zinc/74/71/92/562747192.db2.gz OEPVDEQVNNISKB-NRFANRHFSA-N -1 0 529.424 4.297 1 0 KIAFRM O=C([O-])[C@H](Cc1ccc(OCCc2ccc3c(n2)NCCO3)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084654033 562747170 /nfs/dbraw/zinc/74/71/70/562747170.db2.gz VFNZJTWWZVYTGA-FQEVSTJZSA-N -1 0 516.381 4.240 1 0 KIAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)[O-])=CN1 ZINC000084654928 562747357 /nfs/dbraw/zinc/74/73/57/562747357.db2.gz BNSVAAGAODTIFW-JRMCHAMMSA-N -1 0 503.473 4.490 1 0 KIAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)[O-])=CN1 ZINC000084654930 562747361 /nfs/dbraw/zinc/74/73/61/562747361.db2.gz BNSVAAGAODTIFW-OSICKASQSA-N -1 0 503.473 4.490 1 0 KIAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)Cc2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084668402 562747578 /nfs/dbraw/zinc/74/75/78/562747578.db2.gz PQPGXHCKTBRKTN-NRFANRHFSA-N -1 0 527.408 4.353 1 0 KIAFRM O=C([O-])[C@H](Cc1ccc(C(=O)NCc2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084668403 562747609 /nfs/dbraw/zinc/74/76/09/562747609.db2.gz QKJVOACJWLIFLA-NRFANRHFSA-N -1 0 527.408 4.102 1 0 KIAFRM CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)[O-])o1 ZINC000084669005 562747822 /nfs/dbraw/zinc/74/78/22/562747822.db2.gz GOOVDGYHZXZDFB-IBGZPJMESA-N -1 0 599.876 4.268 1 0 KIAFRM C[C@H](NC(=O)Cc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000084669015 562747847 /nfs/dbraw/zinc/74/78/47/562747847.db2.gz DOTCRBUETWAPED-HSZRLXLJSA-N -1 0 585.705 4.118 1 0 KIAFRM Cc1c2c(ccc1C(=O)[O-])[C@@H](NC(=O)c1cc(C(=O)NCc3ccc(F)c(C(F)(F)F)c3)nc3c(F)cnn31)CC2 ZINC000084669115 562747885 /nfs/dbraw/zinc/74/78/85/562747885.db2.gz CZRLAOXITNZAJA-FQEVSTJZSA-N -1 0 573.478 4.380 1 0 KIAFRM C[S@@](=O)c1cncc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669396 562747944 /nfs/dbraw/zinc/74/79/44/562747944.db2.gz CMVMPRRSIRJGRR-MZAIUAASSA-N -1 0 600.480 4.496 1 0 KIAFRM C[S@](=O)c1cncc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669397 562747985 /nfs/dbraw/zinc/74/79/85/562747985.db2.gz CMVMPRRSIRJGRR-BFZBUFPFSA-N -1 0 600.480 4.496 1 0 KIAFRM C[S@@](=O)c1cncc(C[C@@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669398 562747992 /nfs/dbraw/zinc/74/79/92/562747992.db2.gz CMVMPRRSIRJGRR-MDADGFHKSA-N -1 0 600.480 4.496 1 0 KIAFRM C[S@](=O)c1cncc(C[C@@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669399 562748008 /nfs/dbraw/zinc/74/80/08/562748008.db2.gz CMVMPRRSIRJGRR-CGZIRUOLSA-N -1 0 600.480 4.496 1 0 KIAFRM NS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669999 562748174 /nfs/dbraw/zinc/74/81/74/562748174.db2.gz XYTRSSKMVCVZQA-QFIPXVFZSA-N -1 0 616.479 4.011 1 0 KIAFRM CNS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084670000 562748149 /nfs/dbraw/zinc/74/81/49/562748149.db2.gz LUQRKXJPRPZZOI-QHCPKHFHSA-N -1 0 630.506 4.272 1 0 KIAFRM CS(=O)(=O)c1cncc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084670134 562748191 /nfs/dbraw/zinc/74/81/91/562748191.db2.gz VNBHPAJREIIVSS-QFIPXVFZSA-N -1 0 616.479 4.162 1 0 KIAFRM CS(=O)(=O)Nc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2-c2ccccc2S(=O)(=O)[N-]3)cc1 ZINC000084670574 562748308 /nfs/dbraw/zinc/74/83/08/562748308.db2.gz BBKOKZXOTPEQCP-UHFFFAOYSA-N -1 0 500.989 4.345 1 0 KIAFRM COc1cccc([C@H]2O[C@H](CCn3nnnc3CC(=O)[O-])c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084671849 562748678 /nfs/dbraw/zinc/74/86/78/562748678.db2.gz ADHKREVPZMRTOY-HYBUGGRVSA-N -1 0 509.950 4.013 1 0 KIAFRM COc1cccc([C@H]2O[C@H](CCn3nnc(CCC(=O)[O-])n3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084671850 562748673 /nfs/dbraw/zinc/74/86/73/562748673.db2.gz SUYKTPVIXSBWLB-PXDATVDWSA-N -1 0 523.977 4.403 1 0 KIAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3c(c(N)c2)OCC3)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084672211 562748745 /nfs/dbraw/zinc/74/87/45/562748745.db2.gz WVCPOAYYULCRGI-WUFINQPMSA-N -1 0 654.738 4.145 1 0 KIAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@H]2C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084687601 562748934 /nfs/dbraw/zinc/74/89/34/562748934.db2.gz OWTKXGJQTDOPBT-NTAIMABESA-N -1 0 625.715 4.276 1 0 KIAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084688726 562749208 /nfs/dbraw/zinc/74/92/08/562749208.db2.gz FARQDTSDVSJAOX-IZZNHLLZSA-N -1 0 654.694 4.062 1 0 KIAFRM CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000084689545 562749405 /nfs/dbraw/zinc/74/94/05/562749405.db2.gz UCFFPJZREKYCAH-DQEYMECFSA-N -1 0 582.694 4.344 1 0 KIAFRM CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000084689546 562749388 /nfs/dbraw/zinc/74/93/88/562749388.db2.gz UCFFPJZREKYCAH-RPBOFIJWSA-N -1 0 582.694 4.344 1 0 KIAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084689798 562749432 /nfs/dbraw/zinc/74/94/32/562749432.db2.gz RWFBMHNBAMPIPF-WUFINQPMSA-N -1 0 652.722 4.122 1 0 KIAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccoc2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084690168 562749450 /nfs/dbraw/zinc/74/94/50/562749450.db2.gz YQHWRZZKVJNNRF-LOSJGSFVSA-N -1 0 587.647 4.221 1 0 KIAFRM COc1cccc([C@H]2O[C@H](CCC(=O)N3CCO[C@H](C(=O)[O-])C3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084691019 562749745 /nfs/dbraw/zinc/74/97/45/562749745.db2.gz NCODWICGCMYWRL-KTIWRFAQSA-N -1 0 541.000 4.401 1 0 KIAFRM COc1cccc([C@H]2O[C@H](CCC(=O)N3CCO[C@@H](C(=O)[O-])C3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084691020 562749751 /nfs/dbraw/zinc/74/97/51/562749751.db2.gz NCODWICGCMYWRL-QIGHUWCUSA-N -1 0 541.000 4.401 1 0 KIAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CCN2CCN(CC2)C1=O ZINC000084704837 562749867 /nfs/dbraw/zinc/74/98/67/562749867.db2.gz ZTGRINHKBSIIFP-UHFFFAOYSA-N -1 0 617.772 4.401 1 0 KIAFRM CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000084707598 562750151 /nfs/dbraw/zinc/75/01/51/562750151.db2.gz VIZXNSFCDSYIGJ-BJKOFHAPSA-N -1 0 569.651 4.381 1 0 KIAFRM CCC(C)(C)C(=O)C(=O)N1CCSC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000084707607 562750116 /nfs/dbraw/zinc/75/01/16/562750116.db2.gz CKHWCFUUZSXPEA-BJKOFHAPSA-N -1 0 601.718 4.334 1 0 KIAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084708682 562750197 /nfs/dbraw/zinc/75/01/97/562750197.db2.gz OWTKXGJQTDOPBT-OZDXXITHSA-N -1 0 625.715 4.276 1 0 KIAFRM COc1ccc(CC[C@@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084708822 562750257 /nfs/dbraw/zinc/75/02/57/562750257.db2.gz UFLOQXIINNHYDC-RSXGOPAZSA-N -1 0 669.778 4.104 1 0 KIAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(N)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084710499 562750496 /nfs/dbraw/zinc/75/04/96/562750496.db2.gz LMQCATAQOPHFKU-RRPNLBNLSA-N -1 0 612.701 4.210 1 0 KIAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@@H]2C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084711371 562750667 /nfs/dbraw/zinc/75/06/67/562750667.db2.gz OWTKXGJQTDOPBT-MFRRMFKZSA-N -1 0 625.715 4.276 1 0 KIAFRM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2ccc(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)c1 ZINC000084711405 562750670 /nfs/dbraw/zinc/75/06/70/562750670.db2.gz IHLNTALYMUYCDD-URLMMPGGSA-N -1 0 713.758 4.201 1 0 KIAFRM CN1CCCCNC(=O)Cn2c3cc(ccc3c(C3CCCCC3)c2-c2ccoc2)C(=O)[N-]S1(=O)=O ZINC000084711658 562750692 /nfs/dbraw/zinc/75/06/92/562750692.db2.gz SIXNBDNMWSUGMD-UHFFFAOYSA-N -1 0 512.632 4.340 1 0 KIAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CCN(C)CCNC1=O ZINC000084711663 562750685 /nfs/dbraw/zinc/75/06/85/562750685.db2.gz CWCGVQWNFKNRDV-UHFFFAOYSA-N -1 0 605.761 4.304 1 0 KIAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N2CCN(CCNC1=O)CC2 ZINC000084711665 562750662 /nfs/dbraw/zinc/75/06/62/562750662.db2.gz HZBZHBNFMGUGEK-UHFFFAOYSA-N -1 0 603.745 4.058 1 0 KIAFRM CCn1cc(-c2c3n(c(=O)c(Br)c2Cc2cccc4ccccc42)[C@H](C(=O)[O-])CS3)nn1 ZINC000084712561 562750836 /nfs/dbraw/zinc/75/08/36/562750836.db2.gz NMGDCTGXCNPRJF-SFHVURJKSA-N -1 0 511.401 4.365 1 0 KIAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@@H]2C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084712964 562750869 /nfs/dbraw/zinc/75/08/69/562750869.db2.gz OWTKXGJQTDOPBT-UPQXCHJVSA-N -1 0 625.715 4.276 1 0 KIAFRM COc1ccc2c(c1)OCC(=O)N(C)CCOCCN(C)S(=O)(=O)[N-]C(=O)c1ccc3c(c1)n(C)c-2c3C1CCCCC1 ZINC000084713252 562750872 /nfs/dbraw/zinc/75/08/72/562750872.db2.gz UIKWSRUDYYZYQO-UHFFFAOYSA-N -1 0 612.749 4.250 1 0 KIAFRM O=C([O-])[C@@H]1CSc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc43)c(CO)c(=O)n21 ZINC000084713567 562750937 /nfs/dbraw/zinc/75/09/37/562750937.db2.gz VOVOCXRSKOWUPJ-FQEVSTJZSA-N -1 0 503.532 4.200 1 0 KIAFRM O=C([O-])c1c(=O)[nH]c(SCC(=O)Nn2c(=O)c3ccccc3nc2COc2ccc(Cl)cc2Cl)nc1-c1ccc(O)cc1 ZINC000084723601 562751121 /nfs/dbraw/zinc/75/11/21/562751121.db2.gz LDYRXMLUUFGSPJ-UHFFFAOYSA-N -1 0 640.461 4.299 1 0 KIAFRM CCOC(=O)[C@@H](CCCc1ccccc1)C1(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)[O-])C2=O)CCCC1 ZINC000084758959 562752832 /nfs/dbraw/zinc/75/28/32/562752832.db2.gz FVWPYVZWVOLAOP-RPBOFIJWSA-N -1 0 534.653 4.298 1 0 in-man KIAFRM CCOC(=O)[C@H](CCCc1ccccc1)C1(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)[O-])C2=O)CCCC1 ZINC000084758960 562752837 /nfs/dbraw/zinc/75/28/37/562752837.db2.gz FVWPYVZWVOLAOP-DQEYMECFSA-N -1 0 534.653 4.298 1 0 in-man KIAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@H]1C ZINC000085488890 560075699 /nfs/dbraw/zinc/07/56/99/560075699.db2.gz PRAUVHZJPXOEIF-SKJUVGFFSA-N -1 0 504.708 4.004 1 0 biogenic,in-vitro KIAFRM O=C([O-])CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@@H](OCC2(c3ccccc3)CCCCC2)[C@H](O)[C@H]1O ZINC000085504386 565129339 /nfs/dbraw/zinc/12/93/39/565129339.db2.gz BSACPNXOCNIMHJ-HGHDQQAESA-N -1 0 674.699 4.296 1 0 biogenic,in-vitro KIAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)C[C@@H]1CC[C@@H](Cc2ccccc2)c2ccccc21 ZINC000085511473 565134592 /nfs/dbraw/zinc/13/45/92/565134592.db2.gz INCAGMVCINIPNO-OQLCLRRPSA-N -1 0 642.701 4.207 1 0 biogenic,in-vitro KIAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@](O)(CC[C@H]4CCC[C@@H]5COCC[C@H]45)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511495 565134604 /nfs/dbraw/zinc/13/46/04/565134604.db2.gz MLNHHCWWXXWEOC-UGFNXWJESA-N -1 0 678.775 4.149 1 0 biogenic,in-vitro KIAFRM CC[C@H](Cc1ccccc1)c1ccccc1CCC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1O ZINC000085511572 291835120 /nfs/dbraw/zinc/83/51/20/291835120.db2.gz URNKXRSKEBJORP-DZAVCTIGSA-N -1 0 644.717 4.283 1 0 biogenic,in-vitro KIAFRM CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C(=O)[O-])C[C@@H]1O ZINC000085531582 291830154 /nfs/dbraw/zinc/83/01/54/291830154.db2.gz XTDAUCLSJYHNGJ-NOXBZZFNSA-N -1 0 504.708 4.146 1 0 biogenic,in-vitro KIAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@H]5C[C@H](O)[C@]43C)[C@H]2[C@]1(C)O ZINC000085532082 560073102 /nfs/dbraw/zinc/07/31/02/560073102.db2.gz OTMKLLGULDKXFS-VJRRSPGZSA-N -1 0 504.708 4.146 1 0 biogenic,in-vitro KIAFRM CC(C)Cc1cc(-c2oc3cc([O-])cc(OCC(CO)CO)c3c(=O)c2O)cc(Cc2ccccc2)c1O ZINC000085569406 560069957 /nfs/dbraw/zinc/06/99/57/560069957.db2.gz JMNWAPVMSZFGLT-UHFFFAOYSA-N -1 0 520.578 4.346 1 0 biogenic,in-vitro KIAFRM C/C(=C\C(=O)C[C@H](C)C(=O)[O-])[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000085639335 562753336 /nfs/dbraw/zinc/75/33/36/562753336.db2.gz SXBOKJLQZQAVPU-FTUVESFASA-N -1 0 512.643 4.260 1 0 KIAFRM C/C(=C\C(=O)C[C@@H](C)C(=O)[O-])[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000085639338 562753340 /nfs/dbraw/zinc/75/33/40/562753340.db2.gz SXBOKJLQZQAVPU-CYKKGEBZSA-N -1 0 512.643 4.260 1 0 KIAFRM C/C(=C\C(=O)C[C@H](C)C(=O)[O-])[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000085639344 562753332 /nfs/dbraw/zinc/75/33/32/562753332.db2.gz QXLYRDZEWGVGFS-HPLDTLFHSA-N -1 0 510.627 4.468 1 0 KIAFRM C/C(=C\C(=O)C[C@@H](C)C(=O)[O-])[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000085639345 562753338 /nfs/dbraw/zinc/75/33/38/562753338.db2.gz QXLYRDZEWGVGFS-SIJZTKLXSA-N -1 0 510.627 4.468 1 0 KIAFRM C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C)C(=O)[O-] ZINC000085643443 560067411 /nfs/dbraw/zinc/06/74/11/560067411.db2.gz WRTHLDKBEDRUGJ-GSNIORKHSA-N -1 0 516.675 4.276 1 0 biogenic,in-vitro KIAFRM CC1(C)OC[C@]2([C@@H](O)OC(=O)CCCCCCCC(=O)[O-])[C@@H]1CC(=O)[C@]1(C)[C@H]2CC[C@]2(C)[C@H](c3ccoc3)OC(=O)[C@@H]3O[C@@]321 ZINC000085644924 565167915 /nfs/dbraw/zinc/16/79/15/565167915.db2.gz JRXRZDROEPYPMT-OVPNKQCRSA-N -1 0 616.704 4.499 1 0 biogenic,in-vitro KIAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O ZINC000095099530 560062261 /nfs/dbraw/zinc/06/22/61/560062261.db2.gz YCOKATFNRPZIIU-KRJFWSBRSA-N -1 0 504.708 4.148 1 0 biogenic,in-vitro KIAFRM CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095535871 562753871 /nfs/dbraw/zinc/75/38/71/562753871.db2.gz VWBSNXDZPWLJMJ-DSVGPAFQSA-N -1 0 784.999 4.298 1 0 KIAFRM O=C([O-])C[C@H](NC(=O)CN1c2ccccc2OC[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)COc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000095536551 562753963 /nfs/dbraw/zinc/75/39/63/562753963.db2.gz BPSAEHLQHDNUDT-ZEQRLZLVSA-N -1 0 744.079 4.173 1 0 KIAFRM CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000095536874 562754231 /nfs/dbraw/zinc/75/42/31/562754231.db2.gz NPJPHFZTIUODRY-CAASSERTSA-N -1 0 747.830 4.146 1 0 KIAFRM O=C([O-])CSc1nc2c([nH]1)c(I)c(I)c(I)c2I ZINC000095538196 562754554 /nfs/dbraw/zinc/75/45/54/562754554.db2.gz NQFHSOACYZWLOC-UHFFFAOYSA-N -1 0 711.826 4.158 1 0 KIAFRM O=C([O-])[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1coc(-c2ccccc2)n1 ZINC000095538381 562754719 /nfs/dbraw/zinc/75/47/19/562754719.db2.gz FEZUJRMBAHUDQP-ZPGRZCPFSA-N -1 0 762.827 4.371 1 0 KIAFRM CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(OCC(=O)[O-])cc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NS(=O)(=O)CCc1cccc2ccccc21)C(N)=O ZINC000095540709 562755962 /nfs/dbraw/zinc/75/59/62/562755962.db2.gz FRPNBVDBWGDDMM-HTVAGRJCSA-N -1 0 787.932 4.492 1 0 KIAFRM Cc1ccccc1NC(=O)Nc1ccc(C(=O)N[C@H](CCCCNC(=O)/C=C/c2cccnc2)C(=O)N[C@H](CCCC(=O)[O-])C(=O)NC2(C(N)=O)CCCCC2)cc1 ZINC000095540764 562755989 /nfs/dbraw/zinc/75/59/89/562755989.db2.gz FLCABSOQRLNJOS-BLEJJPLMSA-N -1 0 796.926 4.176 1 0 KIAFRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)c1coc(-c2ccccc2)n1 ZINC000095543402 562757227 /nfs/dbraw/zinc/75/72/27/562757227.db2.gz SZIZPKHQRQEYCR-ZPGRZCPFSA-N -1 0 762.827 4.371 1 0 KIAFRM Cc1cccc2oc(Nc3ccc(C(=O)N[C@H](CCCCNC(=O)/C=C/c4cccnc4)C(=O)N[C@H](CCCC(=O)[O-])C(=O)NC4(C(N)=O)CCCCC4)cc3)nc21 ZINC000095543418 562757219 /nfs/dbraw/zinc/75/72/19/562757219.db2.gz FYASYDXNZCOYMY-YCKQIAHZSA-N -1 0 794.910 4.417 1 0 KIAFRM NC(=O)C1(NC(=O)[C@@H](CCCC(=O)[O-])NC(=O)[C@@H](CCCCNC(=O)/C=C/c2cccnc2)NC(=O)Cc2ccc(Nc3nc4ccccc4o3)cc2)CCCCC1 ZINC000095543546 562757358 /nfs/dbraw/zinc/75/73/58/562757358.db2.gz KCHWAIVFBMDFOL-OXIOLLRCSA-N -1 0 794.910 4.038 1 0 KIAFRM COC(=O)Oc1cc(Br)cc(C(=O)N(C)CCCN(CC(=O)[O-])C(=O)c2cc(Br)cc(OC(=O)OC)c2OC(=O)OC)c1OC(=O)OC ZINC000095546149 562758342 /nfs/dbraw/zinc/75/83/42/562758342.db2.gz POLWODJWFHCMEI-UHFFFAOYSA-N -1 0 808.338 4.482 1 0 KIAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COCCO)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000095549063 562759730 /nfs/dbraw/zinc/75/97/30/562759730.db2.gz WUCFLQOODBBTFJ-SQDZOXHUSA-N -1 0 804.020 4.130 1 0 KIAFRM CC(C)C[C@H](C[P@](=O)([O-])[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCC[NH3+])NS(C)(=O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000095549142 562759756 /nfs/dbraw/zinc/75/97/56/562759756.db2.gz GYHXTFUGCXRGQY-HOWKLTHKSA-N -1 0 755.875 4.098 1 0 KIAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)NCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(Br)cn1 ZINC000095552081 562760553 /nfs/dbraw/zinc/76/05/53/562760553.db2.gz MNRPBSOBVCAVNX-UHFFFAOYSA-N -1 0 681.529 4.191 1 0 KIAFRM CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)Cn2ccc(=O)n(CC(=O)[O-])c2=O)C(C)C)C(C)C)cc1 ZINC000095553691 562761028 /nfs/dbraw/zinc/76/10/28/562761028.db2.gz CTAPKYFSGDPRED-URBDOXFBSA-N -1 0 803.897 4.120 1 0 KIAFRM CCCS(=O)(=O)[N-]c1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 ZINC000095553720 562761016 /nfs/dbraw/zinc/76/10/16/562761016.db2.gz GKNRICGPGVNSOP-UHFFFAOYSA-N -1 0 573.267 4.068 1 0 KIAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(C)cn1 ZINC000095554067 562761156 /nfs/dbraw/zinc/76/11/56/562761156.db2.gz IBQQNRNUTUTRGT-UHFFFAOYSA-N -1 0 615.672 4.275 1 0 KIAFRM CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)Cn2ccc(=O)n(CC(=O)[O-])c2=O)C(C)C)C(C)C)cc1 ZINC000095554376 562761259 /nfs/dbraw/zinc/76/12/59/562761259.db2.gz CTAPKYFSGDPRED-RRICVXEHSA-N -1 0 803.897 4.120 1 0 KIAFRM CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)Cn2cc(C)c(=O)n(CC(=O)[O-])c2=O)C(C)C)C(C)C)cc1 ZINC000095556404 562761819 /nfs/dbraw/zinc/76/18/19/562761819.db2.gz XQTLMLKHGMFAFH-XYRYIPEASA-N -1 0 817.924 4.428 1 0 KIAFRM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccn1)N1CCN(c2nc3ccc(Br)cc3s2)CC1 ZINC000095558684 562762508 /nfs/dbraw/zinc/76/25/08/562762508.db2.gz AQQKTRWAWUIXKC-UHFFFAOYSA-N -1 0 558.483 4.217 1 0 KIAFRM COc1cc(OC)c(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1NC(=O)[C@@H]1[C@@H](C)[C@H]1C(=O)[O-] ZINC000095561921 562763519 /nfs/dbraw/zinc/76/35/19/562763519.db2.gz JYPZDNNVIUTBPU-SNUWSGJGSA-N -1 0 524.551 4.242 1 0 KIAFRM COc1cc(OC)c(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1NC(=O)[C@H]1[C@H](C(=O)[O-])[C@H]1C ZINC000095561922 562763527 /nfs/dbraw/zinc/76/35/27/562763527.db2.gz JYPZDNNVIUTBPU-JKSZXPKPSA-N -1 0 524.551 4.242 1 0 KIAFRM O=C(c1cccc([N-]S(=O)(=O)c2ccccn2)c1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095562078 562763601 /nfs/dbraw/zinc/76/36/01/562763601.db2.gz PRZNECJSFLHDEH-UHFFFAOYSA-N -1 0 514.032 4.108 1 0 KIAFRM COc1cc(OC)c(S(=O)(=O)N2Cc3ccccc3Oc3ccccc32)cc1NC(=O)CCC(=O)[O-] ZINC000095562523 562763711 /nfs/dbraw/zinc/76/37/11/562763711.db2.gz UNHBRYVOCOAIOX-UHFFFAOYSA-N -1 0 512.540 4.008 1 0 KIAFRM COc1cc(OC)c(S(=O)(=O)N2c3ccccc3Sc3ccccc32)cc1NC(=O)CCC(=O)[O-] ZINC000095563498 562763991 /nfs/dbraw/zinc/76/39/91/562763991.db2.gz OGWVPRSTNOOJRU-UHFFFAOYSA-N -1 0 514.581 4.499 1 0 KIAFRM CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N(CC(=O)[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095563714 562764050 /nfs/dbraw/zinc/76/40/50/562764050.db2.gz XYEJAKNGQXQKEF-VMPREFPWSA-N -1 0 635.739 4.288 1 0 KIAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ccc(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000095564963 562764509 /nfs/dbraw/zinc/76/45/09/562764509.db2.gz UVITUJIIRZWOPU-IKHKGIBASA-N -1 0 567.679 4.428 1 0 KIAFRM COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095568221 562766455 /nfs/dbraw/zinc/76/64/55/562766455.db2.gz WPYAALNTSHYVCT-IOKPGSKQSA-N -1 0 614.696 4.019 1 0 KIAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)O2 ZINC000095569086 562767201 /nfs/dbraw/zinc/76/72/01/562767201.db2.gz UJFZKFFXBWJNCG-QLODZENZSA-N -1 0 653.680 4.495 1 0 KIAFRM COc1cc(Br)c(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)cc1OC ZINC000095572054 562769289 /nfs/dbraw/zinc/76/92/89/562769289.db2.gz SUUYXWIXJICYMK-UHFFFAOYSA-N -1 0 560.420 4.276 1 0 KIAFRM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095573851 562769806 /nfs/dbraw/zinc/76/98/06/562769806.db2.gz HVBMHEAQIUVANN-HNNXBMFYSA-N -1 0 516.561 4.411 1 0 KIAFRM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095573852 562769801 /nfs/dbraw/zinc/76/98/01/562769801.db2.gz HVBMHEAQIUVANN-OAHLLOKOSA-N -1 0 516.561 4.411 1 0 KIAFRM COc1ccc(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)c(Cl)c1OC ZINC000095574872 562770101 /nfs/dbraw/zinc/77/01/01/562770101.db2.gz NYRCJRKJVHUNAR-UHFFFAOYSA-N -1 0 515.969 4.167 1 0 KIAFRM COc1ccc(Nc2nc(N3CCC[C@H](C(=O)Nc4ccc(C(=O)[O-])cc4)C3)nc3scnc32)cc1OC ZINC000095575782 562770405 /nfs/dbraw/zinc/77/04/05/562770405.db2.gz KIBURXVYWQNVDV-INIZCTEOSA-N -1 0 534.598 4.400 1 0 KIAFRM COc1ccc(Nc2nc(N3CCC[C@@H](C(=O)Nc4ccc(C(=O)[O-])cc4)C3)nc3scnc32)cc1OC ZINC000095575783 562770406 /nfs/dbraw/zinc/77/04/06/562770406.db2.gz KIBURXVYWQNVDV-MRXNPFEDSA-N -1 0 534.598 4.400 1 0 KIAFRM CCCCCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000095578501 562771227 /nfs/dbraw/zinc/77/12/27/562771227.db2.gz YULLWYIOBSEHGJ-UHFFFAOYSA-N -1 0 555.539 4.218 1 0 KIAFRM COc1ccc(Nc2nc(N3CC[C@H](C(=O)Nc4ccc(C(=O)[O-])cc4)C3)nc3scnc32)cc1OC ZINC000095579132 562771484 /nfs/dbraw/zinc/77/14/84/562771484.db2.gz MAAZZBJBEAVPAT-HNNXBMFYSA-N -1 0 520.571 4.010 1 0 KIAFRM COc1ccc(Nc2nc(N3CC[C@@H](C(=O)Nc4ccc(C(=O)[O-])cc4)C3)nc3scnc32)cc1OC ZINC000095579133 562771486 /nfs/dbraw/zinc/77/14/86/562771486.db2.gz MAAZZBJBEAVPAT-OAHLLOKOSA-N -1 0 520.571 4.010 1 0 KIAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000095580822 562772000 /nfs/dbraw/zinc/77/20/00/562772000.db2.gz RMROSNPTSRGODX-CYBMUJFWSA-N -1 0 588.039 4.286 1 0 KIAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnn2[C@H]2CCS(=O)(=O)C2)cc1F ZINC000095580823 562771989 /nfs/dbraw/zinc/77/19/89/562771989.db2.gz RMROSNPTSRGODX-ZDUSSCGKSA-N -1 0 588.039 4.286 1 0 KIAFRM O=C([O-])c1ccc(COc2ccccc2CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000095581010 562772042 /nfs/dbraw/zinc/77/20/42/562772042.db2.gz WAECHHXURRHDMD-UHFFFAOYSA-N -1 0 559.707 4.331 1 0 KIAFRM NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095581033 562772059 /nfs/dbraw/zinc/77/20/59/562772059.db2.gz ZPWRLVMEEXNSIO-KYJUHHDHSA-N -1 0 657.616 4.064 1 0 KIAFRM C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095581238 562772099 /nfs/dbraw/zinc/77/20/99/562772099.db2.gz YBVOPGZDZNWRKJ-FNFCYJGBSA-N -1 0 651.653 4.320 1 0 KIAFRM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095581397 562772172 /nfs/dbraw/zinc/77/21/72/562772172.db2.gz FPBFXONCZZBSAA-YFCOXDMTSA-N -1 0 607.600 4.162 1 0 KIAFRM CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2F)C1 ZINC000095581442 562772185 /nfs/dbraw/zinc/77/21/85/562772185.db2.gz QESPTBXFDDSHIF-UHFFFAOYSA-N -1 0 538.989 4.413 1 0 KIAFRM COc1c2c([N-]S(=O)(=O)c3ccc(Cl)s3)nn(Cc3cccc(CNC(=O)C(C)(C)O)c3)c2ccc1F ZINC000095581752 562772279 /nfs/dbraw/zinc/77/22/79/562772279.db2.gz IDEBAGBKCFKXLA-UHFFFAOYSA-N -1 0 567.064 4.135 1 0 KIAFRM 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COc1cc(F)cc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1 ZINC000095582642 562772662 /nfs/dbraw/zinc/77/26/62/562772662.db2.gz BTSOAFGYNROARI-UHFFFAOYSA-N -1 0 567.064 4.135 1 0 KIAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccc(OC(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095582653 562772642 /nfs/dbraw/zinc/77/26/42/562772642.db2.gz KARURLYELGQKFC-UHFFFAOYSA-N -1 0 501.443 4.401 1 0 KIAFRM COc1ccc2c(c1)c(CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)cn2C(=O)c1ccc(Cl)cc1 ZINC000095582720 562772686 /nfs/dbraw/zinc/77/26/86/562772686.db2.gz SWRYWBNQFTXQNG-UHFFFAOYSA-N -1 0 500.935 4.179 1 0 KIAFRM O=S(=O)([N-]c1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnn2CCO)cc1F ZINC000095583292 562772875 /nfs/dbraw/zinc/77/28/75/562772875.db2.gz WZSKBMXMMSIIGB-UHFFFAOYSA-N -1 0 530.390 4.433 1 0 KIAFRM COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C ZINC000095583522 562772983 /nfs/dbraw/zinc/77/29/83/562772983.db2.gz PKWPDJCHBOKLCC-XCZPVHLTSA-N -1 0 608.584 4.460 1 0 KIAFRM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095583528 562772980 /nfs/dbraw/zinc/77/29/80/562772980.db2.gz KHKQJFKQSCLAFG-KYJUHHDHSA-N -1 0 641.617 4.359 1 0 KIAFRM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@@H]2CCO2)c1 ZINC000095583550 562772948 /nfs/dbraw/zinc/77/29/48/562772948.db2.gz WPBQROOHPRPJLM-IBGZPJMESA-N -1 0 547.058 4.014 1 0 KIAFRM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2CCO2)c1 ZINC000095583551 562772969 /nfs/dbraw/zinc/77/29/69/562772969.db2.gz WPBQROOHPRPJLM-LJQANCHMSA-N -1 0 547.058 4.014 1 0 KIAFRM CC(=O)NCc1cccc(Cn2nc([N-]S(=O)(=O)c3ccc(Cl)s3)c3c2cccc3[C@H](C)O)c1 ZINC000095583587 562772949 /nfs/dbraw/zinc/77/29/49/562772949.db2.gz MIRKJXGSFQXYOJ-AWEZNQCLSA-N -1 0 519.048 4.290 1 0 KIAFRM CC(=O)NCc1cccc(Cn2nc([N-]S(=O)(=O)c3ccc(Cl)s3)c3c2cccc3[C@@H](C)O)c1 ZINC000095583588 562772986 /nfs/dbraw/zinc/77/29/86/562772986.db2.gz MIRKJXGSFQXYOJ-CQSZACIVSA-N -1 0 519.048 4.290 1 0 KIAFRM NC(=O)c1cc(S(=O)(=O)[N-]c2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1 ZINC000095584073 562773105 /nfs/dbraw/zinc/77/31/05/562773105.db2.gz VLZISEKSOZZEEZ-UHFFFAOYSA-N -1 0 509.491 4.244 1 0 KIAFRM Cn1nc([O-])c(=O)nc1SCCOc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095584196 562773152 /nfs/dbraw/zinc/77/31/52/562773152.db2.gz FNGYKEPRECCEOC-UHFFFAOYSA-N -1 0 589.490 4.433 1 0 KIAFRM COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095584440 562773252 /nfs/dbraw/zinc/77/32/52/562773252.db2.gz IAXGCOZIJJNBMM-SVBPBHIXSA-N -1 0 606.568 4.310 1 0 KIAFRM COc1cc(F)cc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(C)=O)c1 ZINC000095584797 562773373 /nfs/dbraw/zinc/77/33/73/562773373.db2.gz GBCHVZPQMAAJPG-UHFFFAOYSA-N -1 0 523.011 4.384 1 0 KIAFRM CC(=O)NCc1cccc(Cn2nc([N-]S(=O)(=O)c3ccc(Cl)s3)c3c2cccc3C(C)=O)c1 ZINC000095584852 562773389 /nfs/dbraw/zinc/77/33/89/562773389.db2.gz YKZJHVPUMKWJLG-UHFFFAOYSA-N -1 0 517.032 4.439 1 0 KIAFRM CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095585158 562773490 /nfs/dbraw/zinc/77/34/90/562773490.db2.gz FIHPPPLDJXPXLG-NSOVKSMOSA-N -1 0 679.663 4.238 1 0 KIAFRM COc1ccc2c(c1)c(C)c(CCC(=O)[N-]S(=O)(=O)C(F)(F)F)n2C(=O)c1ccc(Cl)cc1 ZINC000095585328 562773582 /nfs/dbraw/zinc/77/35/82/562773582.db2.gz BOWCSHWJPAAYPZ-UHFFFAOYSA-N -1 0 502.898 4.199 1 0 KIAFRM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@@H]2CCCO2)c1 ZINC000095585622 562773679 /nfs/dbraw/zinc/77/36/79/562773679.db2.gz WHBKLJUDRBLALA-FQEVSTJZSA-N -1 0 561.085 4.404 1 0 KIAFRM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@H]2CCCO2)c1 ZINC000095585623 562773673 /nfs/dbraw/zinc/77/36/73/562773673.db2.gz WHBKLJUDRBLALA-HXUWFJFHSA-N -1 0 561.085 4.404 1 0 KIAFRM O=S(=O)([N-]c1nncs1)c1cc(F)c(Oc2ccc(Cl)cc2-c2cc(N3CCOCC3)ncn2)cc1F ZINC000095585752 562773683 /nfs/dbraw/zinc/77/36/83/562773683.db2.gz USRIIONRYIQMBT-UHFFFAOYSA-N -1 0 566.999 4.356 1 0 KIAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095585782 562773695 /nfs/dbraw/zinc/77/36/95/562773695.db2.gz HZJSVATWLIZSAY-SVBPBHIXSA-N -1 0 607.600 4.162 1 0 KIAFRM CCOC(=O)Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)[N-]c2nccs2)cc1F ZINC000095585838 562773729 /nfs/dbraw/zinc/77/37/29/562773729.db2.gz KWULGBMRSFRJQP-UHFFFAOYSA-N -1 0 520.539 4.441 1 0 KIAFRM COc1c2c([N-]S(=O)(=O)c3ccc(Cl)s3)nn(Cc3cccc(CNC(C)=O)c3)c2ccc1F ZINC000095585848 562773745 /nfs/dbraw/zinc/77/37/45/562773745.db2.gz TVVJOUFRFOLJOS-UHFFFAOYSA-N -1 0 523.011 4.384 1 0 KIAFRM COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-] ZINC000095592299 562775913 /nfs/dbraw/zinc/77/59/13/562775913.db2.gz MEKKSAYXENWEGZ-GOTSBHOMSA-N -1 0 515.455 4.064 1 0 KIAFRM C[C@H](CC(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)[O-] ZINC000095592427 562775917 /nfs/dbraw/zinc/77/59/17/562775917.db2.gz 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COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c(O)c2)cc1 ZINC000095601440 562779623 /nfs/dbraw/zinc/77/96/23/562779623.db2.gz USWFOEFCJBKVMP-UHFFFAOYSA-N -1 0 524.580 4.163 1 0 KIAFRM COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cc1 ZINC000095601460 562779631 /nfs/dbraw/zinc/77/96/31/562779631.db2.gz NOABWMRJBKLIIA-UHFFFAOYSA-N -1 0 508.581 4.457 1 0 KIAFRM CCS(=O)(=O)[N-]C(=O)c1c(-c2ccc[nH]c2=O)c2c(ccc3ccoc32)n1Cc1cc(F)ccc1F ZINC000095602190 562779938 /nfs/dbraw/zinc/77/99/38/562779938.db2.gz QUFZATKVQFCAAX-UHFFFAOYSA-N -1 0 511.506 4.149 1 0 KIAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095602352 562780066 /nfs/dbraw/zinc/78/00/66/562780066.db2.gz HGQLBEHNDXWVSC-OUDXUNEISA-N -1 0 584.670 4.011 1 0 KIAFRM COc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cc1 ZINC000095602564 562780152 /nfs/dbraw/zinc/78/01/52/562780152.db2.gz UGAXXYJZAODDIW-UHFFFAOYSA-N -1 0 522.608 4.481 1 0 KIAFRM O=C([N-]S(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c(ccc3ccoc32)n1Cc1cc(F)ccc1F ZINC000095603160 562780411 /nfs/dbraw/zinc/78/04/11/562780411.db2.gz ZQQAYXAVPLVXAU-UHFFFAOYSA-N -1 0 523.517 4.291 1 0 KIAFRM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cc1 ZINC000095603183 562780414 /nfs/dbraw/zinc/78/04/14/562780414.db2.gz XTQSPCGYXGIPRB-UHFFFAOYSA-N -1 0 544.636 4.006 1 0 KIAFRM COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cc1 ZINC000095603940 562780754 /nfs/dbraw/zinc/78/07/54/562780754.db2.gz PIFZILMNARRKPO-UHFFFAOYSA-N -1 0 536.591 4.235 1 0 KIAFRM CS(=O)(=O)[N-]C(=O)c1c(-c2ccc[nH]c2=O)c2c(ccc3ccsc32)n1Cc1cc(F)ccc1F ZINC000095604943 562781258 /nfs/dbraw/zinc/78/12/58/562781258.db2.gz BLZMQVSBHCUWES-UHFFFAOYSA-N -1 0 513.547 4.227 1 0 KIAFRM [NH3+][C@@H](Cc1cc(I)c(-c2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000095606092 562781894 /nfs/dbraw/zinc/78/18/94/562781894.db2.gz QHDLYNFVNBCOFT-LBPRGKRZSA-N -1 0 760.873 4.432 1 0 KIAFRM [NH3+][C@H](Cc1cc(I)c(-c2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000095606093 562781880 /nfs/dbraw/zinc/78/18/80/562781880.db2.gz QHDLYNFVNBCOFT-GFCCVEGCSA-N -1 0 760.873 4.432 1 0 KIAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](C(=O)OCCCCCn3cc(F)c(=O)[nH]c3=O)[C@@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095606525 562782137 /nfs/dbraw/zinc/78/21/37/562782137.db2.gz ZQBHDBIJONNOTA-XNBLZOFTSA-N -1 0 773.811 4.354 1 0 KIAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](C(=O)OCCCCCn3cc(F)c(=O)[nH]c3=O)[C@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095606526 562782139 /nfs/dbraw/zinc/78/21/39/562782139.db2.gz ZQBHDBIJONNOTA-YHCWILSPSA-N -1 0 773.811 4.354 1 0 KIAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](C(=O)OCCCCCn3cc(F)c(=O)[nH]c3=O)[C@@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095606527 562782155 /nfs/dbraw/zinc/78/21/55/562782155.db2.gz ZQBHDBIJONNOTA-BMWKZXAPSA-N -1 0 773.811 4.354 1 0 KIAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](C(=O)OCCCCCn3cc(F)c(=O)[nH]c3=O)[C@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095606528 562782142 /nfs/dbraw/zinc/78/21/42/562782142.db2.gz ZQBHDBIJONNOTA-XAXWBFDESA-N -1 0 773.811 4.354 1 0 KIAFRM Cc1ccc2c(c1)CCN2CCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCC(=O)[O-])cc1)C(=O)C[C@@H](CC(C)C)C(N)=O ZINC000095606635 562782250 /nfs/dbraw/zinc/78/22/50/562782250.db2.gz BBYMXEWRERJTNP-SMXONETASA-N -1 0 756.897 4.054 1 0 KIAFRM CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)Oc2ccc(cc2)CCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000095606661 562782287 /nfs/dbraw/zinc/78/22/87/562782287.db2.gz ZRSZDOWFDKMZNG-MHAZMVRYSA-N -1 0 795.934 4.210 1 0 KIAFRM O=[S@](c1ccc2c(c1)CN(S(=O)(=O)[N-]S(=O)(=O)N1CCc3ccc([S@@](=O)C(Cl)(Cl)Cl)cc3C1)CC2)C(Cl)(Cl)Cl ZINC000095607086 562782629 /nfs/dbraw/zinc/78/26/29/562782629.db2.gz OJAGLRGNPWMTGE-BCRBLDSWSA-N -1 0 738.373 4.053 1 0 KIAFRM O=[S@@](c1ccc2c(c1)CN(S(=O)(=O)[N-]S(=O)(=O)N1CCc3ccc([S@@](=O)C(Cl)(Cl)Cl)cc3C1)CC2)C(Cl)(Cl)Cl ZINC000095607087 562782609 /nfs/dbraw/zinc/78/26/09/562782609.db2.gz OJAGLRGNPWMTGE-JXLNJXQWSA-N -1 0 738.373 4.053 1 0 KIAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2c(Br)ccc(Br)c2C1)N1CCc2c(Br)ccc(Br)c2C1 ZINC000095607097 562782606 /nfs/dbraw/zinc/78/26/06/562782606.db2.gz WSFLWIAGBZTVQM-UHFFFAOYSA-N -1 0 723.101 4.232 1 0 KIAFRM COc1cc(-c2cc(=O)c3c([O-])cc(O[C@@H]4O[C@H](COC(=O)C=Cc5ccccc5)[C@@H](O)[C@H](OC(=O)C=Cc5ccc(O)cc5)[C@H]4O)cc3o2)ccc1O ZINC000095607420 562782815 /nfs/dbraw/zinc/78/28/15/562782815.db2.gz RZLBGVNPBMPJNW-KXNNMBPQSA-N -1 0 738.698 4.293 1 0 KIAFRM CC(C)C[C@@H](NC(=O)N1CCCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095608864 562783770 /nfs/dbraw/zinc/78/37/70/562783770.db2.gz JRIMJDBQLCYMGG-MDOFDWFASA-N -1 0 751.929 4.472 1 0 KIAFRM 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](CO)Cc1ccccc1 ZINC000095611107 562784833 /nfs/dbraw/zinc/78/48/33/562784833.db2.gz NYMKSUGZOSRMRN-NRTZDQBCSA-N -1 0 749.865 4.164 1 0 KIAFRM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000095611141 562784839 /nfs/dbraw/zinc/78/48/39/562784839.db2.gz FUODANWUNHGJDX-VQJPNMBPSA-N -1 0 790.918 4.260 1 0 KIAFRM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000095611142 562784846 /nfs/dbraw/zinc/78/48/46/562784846.db2.gz FUODANWUNHGJDX-LADGJGSJSA-N -1 0 790.918 4.260 1 0 KIAFRM Cc1ccccc1NC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000095612350 562785426 /nfs/dbraw/zinc/78/54/26/562785426.db2.gz XWTWDSIILPZMIL-NNHILTQISA-N -1 0 811.937 4.262 1 0 KIAFRM NC(=O)C1(NC(=O)[C@@H](CCCC(=O)[O-])NC(=O)[C@@H](CCCCNC(=O)/C=C/c2cccnc2)NC(=O)CCc2ccc(Nc3nc4ccccc4[nH]3)cc2)CCCCC1 ZINC000095613044 562786018 /nfs/dbraw/zinc/78/60/18/562786018.db2.gz PKWFBSREDWCYOS-MFZUWNMFSA-N -1 0 807.953 4.163 1 0 KIAFRM 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](Cc1ccc(Cl)cc1)C(N)=O ZINC000095613526 562786334 /nfs/dbraw/zinc/78/63/34/562786334.db2.gz AUELCXCCQCOZHF-OQIMXIDESA-N -1 0 797.309 4.310 1 0 KIAFRM CN(C)C(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000095614570 562786743 /nfs/dbraw/zinc/78/67/43/562786743.db2.gz NCXFVQVUXTYYEG-SZHYKVQFSA-N -1 0 776.891 4.390 1 0 KIAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CCCCNC(=O)/C=C/c2cccnc2)C(=O)N[C@@H](CCCC(=O)[O-])C(=O)NC2(C(N)=O)CCCCC2)cc1 ZINC000095615168 562787136 /nfs/dbraw/zinc/78/71/36/562787136.db2.gz OOYFOUHICCOHRQ-CVLSMVSNSA-N -1 0 810.953 4.105 1 0 KIAFRM Cc1cccc2oc(Nc3ccc(CC(=O)N[C@H](CCCCNC(=O)/C=C/c4cccnc4)C(=O)N[C@H](CCCC(=O)[O-])C(=O)NC4(C(N)=O)CCCCC4)cc3)nc21 ZINC000095615710 562787482 /nfs/dbraw/zinc/78/74/82/562787482.db2.gz SUPGBSSFNJDXNH-OXIOLLRCSA-N -1 0 808.937 4.346 1 0 KIAFRM NC(=O)C1(NC(=O)[C@@H](CCCC(=O)[O-])NC(=O)[C@@H](CCCCNC(=O)/C=C/c2cccnc2)NC(=O)c2ccc(Nc3nc4ccccc4o3)cc2)CCCCC1 ZINC000095615999 562787684 /nfs/dbraw/zinc/78/76/84/562787684.db2.gz YCWAOGSQMPJZPY-YCKQIAHZSA-N -1 0 780.883 4.109 1 0 KIAFRM C[C@@](Cc1ccc(Oc2cc(N3CCN(Cc4ccccn4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000095617416 562787980 /nfs/dbraw/zinc/78/79/80/562787980.db2.gz AHLQCKHABUZUAY-PMERELPUSA-N -1 0 540.624 4.033 1 0 KIAFRM Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095782533 562789083 /nfs/dbraw/zinc/78/90/83/562789083.db2.gz UBAKRCKURYVLMN-WENLUUPESA-N -1 0 712.913 4.270 1 0 KIAFRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1C(=O)NCCc1ccccc1 ZINC000095872235 562790070 /nfs/dbraw/zinc/79/00/70/562790070.db2.gz OOUJBLCYWLKKQX-DYIKCSJPSA-N -1 0 567.686 4.406 1 0 KIAFRM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1C(=O)NCCc1ccccc1 ZINC000095872236 562790076 /nfs/dbraw/zinc/79/00/76/562790076.db2.gz OOUJBLCYWLKKQX-OIFRRMEBSA-N -1 0 567.686 4.406 1 0 KIAFRM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1C(=O)NCCc1ccccc1 ZINC000095872237 562790074 /nfs/dbraw/zinc/79/00/74/562790074.db2.gz OOUJBLCYWLKKQX-IDZRBWSNSA-N -1 0 567.686 4.406 1 0 KIAFRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1C(=O)NCCc1ccccc1 ZINC000095872238 562790075 /nfs/dbraw/zinc/79/00/75/562790075.db2.gz OOUJBLCYWLKKQX-FRXPANAUSA-N -1 0 567.686 4.406 1 0 KIAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)[C@H](O)[C@H](O)[C@@]34C)[C@@H]2[C@]1(C)O ZINC000095910676 560058510 /nfs/dbraw/zinc/05/85/10/560058510.db2.gz DOADEZLVINXRRP-SRCQNVIUSA-N -1 0 502.692 4.354 1 0 biogenic,in-vitro KIAFRM 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@@](C)(CO)[C@@H]5C(=O)C[C@]43C)[C@@H]2[C@]1(C)O ZINC000095910677 291845858 /nfs/dbraw/zinc/84/58/58/291845858.db2.gz CBSXVXHTFQSMEC-WQMBMQKBSA-N -1 0 502.692 4.356 1 0 biogenic,in-vitro KIAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)C(=O)[C@H](O)[C@@]34C)[C@@H]2[C@]1(C)O ZINC000095912189 560057423 /nfs/dbraw/zinc/05/74/23/560057423.db2.gz VBLIMTVKFVIDFU-ROLBOTCMSA-N -1 0 502.692 4.354 1 0 biogenic,in-vitro KIAFRM COC(=O)[C@@]1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000095914370 560055746 /nfs/dbraw/zinc/05/57/46/560055746.db2.gz CYJWWQALTIKOAG-ULMFCMEYSA-N -1 0 532.718 4.330 1 0 biogenic,in-vitro KIAFRM CO[C@H]1C2=C(O)c3c(O)c(CCC(C)(C)O)c4c(c3O[C@]23[C@@H]2C[C@@]1(OC)C(=O)[C@@]3(C/C=C(/C)C(=O)[O-])OC2(C)C)C(C)(C)[C@H](C)O4 ZINC000095915114 291839703 /nfs/dbraw/zinc/83/97/03/291839703.db2.gz ZOSLEVUCWWRWTA-VIVXKIMUSA-N -1 0 642.742 4.056 1 0 biogenic,in-vitro KIAFRM CO[C@]12C[C@@H]3C(C)(C)O[C@](C/C=C(/C)C(=O)[O-])(C1=O)[C@@]31Oc3c4c(c(CC=C(C)C)c(O)c3C(O)=C1[C@@H]2O)O[C@@H](C)C4(C)C ZINC000095915115 565187965 /nfs/dbraw/zinc/18/79/65/565187965.db2.gz RBOHAEQJEXPWDA-LYTKBAPXSA-N -1 0 610.700 4.207 1 0 biogenic,in-vitro KIAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)[C@H](O)[C@@H](O)[C@@H](O)[C@]3(C)CO)[C@@H]2C1 ZINC000095918991 291830089 /nfs/dbraw/zinc/83/00/89/291830089.db2.gz YOGUTEYZFFDORB-DRSZPOQQSA-N -1 0 504.708 4.148 1 0 biogenic,in-vitro KIAFRM C[C@@]1(CO)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000095918992 560054795 /nfs/dbraw/zinc/05/47/95/560054795.db2.gz CDPOJDDWXIJFPO-YSCLWKBSSA-N -1 0 504.708 4.149 1 0 biogenic,in-vitro KIAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=C[C@@H](O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](O)[C@H](O)C[C@]43C)[C@H]2[C@]1(C)O ZINC000095919003 291846297 /nfs/dbraw/zinc/84/62/97/291846297.db2.gz CTDCUSBLTVYJJM-VDDCRXAOSA-N -1 0 504.708 4.146 1 0 biogenic,in-vitro KIAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5C(=O)C[C@]43C)[C@@H]2[C@@H]1O ZINC000095919196 291829738 /nfs/dbraw/zinc/82/97/38/291829738.db2.gz XLRKASLFHCWUIP-MFDHCNMKSA-N -1 0 502.692 4.356 1 0 biogenic,in-vitro KIAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)[C@H](O)[C@@H](O)[C@@]34C)[C@@H]2[C@]1(C)O ZINC000095919198 560054638 /nfs/dbraw/zinc/05/46/38/560054638.db2.gz DOADEZLVINXRRP-YQHUZRNLSA-N -1 0 502.692 4.354 1 0 biogenic,in-vitro KIAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000096085883 574417176 /nfs/dbraw/zinc/41/71/76/574417176.db2.gz IFIQVSCCFRXSJV-OUKLVGNVSA-N -1 0 504.708 4.148 1 0 endogenous,in-man KIAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)C(C)(C)C)c2=O ZINC000096169973 562790955 /nfs/dbraw/zinc/79/09/55/562790955.db2.gz WIVXJSUDXDCGAM-UHFFFAOYSA-N -1 0 544.633 4.461 1 0 KIAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)C(C)(C)COC(C)=O)c2=O ZINC000096169982 562791022 /nfs/dbraw/zinc/79/10/22/562791022.db2.gz CTWNZKNJTKJGMV-UHFFFAOYSA-N -1 0 602.669 4.004 1 0 KIAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(C[C@H](O)C(C)(C)C)c2=O ZINC000096169983 562791018 /nfs/dbraw/zinc/79/10/18/562791018.db2.gz RZKLMAYXHYZWLN-QHCPKHFHSA-N -1 0 546.649 4.253 1 0 KIAFRM O=C([O-])CCNC(=O)c1ccc([C@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C(F)(F)F)cc1 ZINC000096170506 562791139 /nfs/dbraw/zinc/79/11/39/562791139.db2.gz FZCFBHWLODQMMR-SFHVURJKSA-N -1 0 501.387 4.206 1 0 KIAFRM O=C([O-])CCNC(=O)c1ccc([C@@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C(F)(F)F)cc1 ZINC000096170507 562791143 /nfs/dbraw/zinc/79/11/43/562791143.db2.gz FZCFBHWLODQMMR-GOSISDBHSA-N -1 0 501.387 4.206 1 0 KIAFRM O=C([O-])CCNC(=O)c1ccc([C@H](Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)C2CCOCC2)cc1 ZINC000096170578 562791140 /nfs/dbraw/zinc/79/11/40/562791140.db2.gz AKWOLMJYDLJTNB-QHCPKHFHSA-N -1 0 517.508 4.070 1 0 KIAFRM O=C([O-])CCNC(=O)c1ccc([C@@H](Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)C2CCOCC2)cc1 ZINC000096170579 562791156 /nfs/dbraw/zinc/79/11/56/562791156.db2.gz AKWOLMJYDLJTNB-HSZRJFAPSA-N -1 0 517.508 4.070 1 0 KIAFRM O=C([O-])CCNC(=O)c1ccc([C@H](Nc2cnc(-n3cnc(C(F)(F)F)c3)nc2)C2CCCC2)cc1 ZINC000096170594 562791170 /nfs/dbraw/zinc/79/11/70/562791170.db2.gz KUIQXXFGGIPRIS-OAQYLSRUSA-N -1 0 502.497 4.229 1 0 KIAFRM O=C([O-])CCNC(=O)c1ccc([C@@H](Nc2cnc(-n3cnc(C(F)(F)F)c3)nc2)C2CCCC2)cc1 ZINC000096170595 562791176 /nfs/dbraw/zinc/79/11/76/562791176.db2.gz KUIQXXFGGIPRIS-NRFANRHFSA-N -1 0 502.497 4.229 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(CC(=O)C(C)(C)C)c2ncnn21 ZINC000096178222 562792501 /nfs/dbraw/zinc/79/25/01/562792501.db2.gz AWKUGINBKMRYQF-UHFFFAOYSA-N -1 0 526.597 4.060 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(CC(C)(C)COC)c2nc(C)nn21 ZINC000096178231 562792537 /nfs/dbraw/zinc/79/25/37/562792537.db2.gz GBRMSRMKWLJSEI-UHFFFAOYSA-N -1 0 542.640 4.426 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n(C2CCOCC2)c2nc(C)nn21 ZINC000096178237 562792531 /nfs/dbraw/zinc/79/25/31/562792531.db2.gz DFOPKDDSWOPCRS-UHFFFAOYSA-N -1 0 544.587 4.244 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@@H]2CC[C@H](C)OC2)c2nc(C)nn21 ZINC000096178261 562792603 /nfs/dbraw/zinc/79/26/03/562792603.db2.gz KQNYGEKZVUPLSK-PGRDOPGGSA-N -1 0 540.624 4.493 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@H](C)OC2)c2nc(C)nn21 ZINC000096178262 562792557 /nfs/dbraw/zinc/79/25/57/562792557.db2.gz KQNYGEKZVUPLSK-AVRDEDQJSA-N -1 0 540.624 4.493 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@@H]2CC[C@@H](C)OC2)c2nc(C)nn21 ZINC000096178263 562792589 /nfs/dbraw/zinc/79/25/89/562792589.db2.gz KQNYGEKZVUPLSK-XMSQKQJNSA-N -1 0 540.624 4.493 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@@H](C)OC2)c2nc(C)nn21 ZINC000096178264 562792605 /nfs/dbraw/zinc/79/26/05/562792605.db2.gz KQNYGEKZVUPLSK-GCJKJVERSA-N -1 0 540.624 4.493 1 0 KIAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(O)CC2)c2ncnn21 ZINC000096178265 562792563 /nfs/dbraw/zinc/79/25/63/562792563.db2.gz RSXLUUSFASNCPT-UHFFFAOYSA-N -1 0 540.624 4.311 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(=CCO)CC2)c2ncnn21 ZINC000096178291 562792632 /nfs/dbraw/zinc/79/26/32/562792632.db2.gz LBEIHDOAHGDOFH-UHFFFAOYSA-N -1 0 552.635 4.478 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCOCC2)c2ccnn21 ZINC000096178313 562792643 /nfs/dbraw/zinc/79/26/43/562792643.db2.gz LVXGUVPHCJYILA-UHFFFAOYSA-N -1 0 511.582 4.401 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC2)O[C@@H]2COC[C@@H]2O3)c2ncnn21 ZINC000096178325 562792657 /nfs/dbraw/zinc/79/26/57/562792657.db2.gz LSABTUQHTUDSIM-GNPKDYDBSA-N -1 0 610.671 4.070 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC[C@@H](CO)O3)CC2)c2ncnn21 ZINC000096178373 562792647 /nfs/dbraw/zinc/79/26/47/562792647.db2.gz WPQDJWODGXBPSS-WKPOEOEHSA-N -1 0 596.688 4.470 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC[C@H](CO)O3)CC2)c2ncnn21 ZINC000096178374 562792649 /nfs/dbraw/zinc/79/26/49/562792649.db2.gz WPQDJWODGXBPSS-GWQSWQSUSA-N -1 0 596.688 4.470 1 0 KIAFRM CC(C)Oc1ccc(NS(=O)(=O)[C@@H](Cc2ccc(NC(=O)C(=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000096258533 562792865 /nfs/dbraw/zinc/79/28/65/562792865.db2.gz CYEDVATYPJMRNV-QHCPKHFHSA-N -1 0 523.567 4.364 1 0 KIAFRM CC(C)Oc1ccc(NS(=O)(=O)[C@H](Cc2ccc(NC(=O)C(=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000096258534 562792857 /nfs/dbraw/zinc/79/28/57/562792857.db2.gz CYEDVATYPJMRNV-HSZRJFAPSA-N -1 0 523.567 4.364 1 0 KIAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN(C)CCC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270843 562793418 /nfs/dbraw/zinc/79/34/18/562793418.db2.gz ZZBVYRDSJARZIV-KAYWLYCHSA-N -1 0 502.677 4.407 1 0 KIAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCC[P@@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270850 562793408 /nfs/dbraw/zinc/79/34/08/562793408.db2.gz AWVLZQFXOAXSIR-JWQCQUIFSA-N -1 0 525.604 4.447 1 0 KIAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCCS(=O)(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270859 562793398 /nfs/dbraw/zinc/79/33/98/562793398.db2.gz QFNJGBKSGUJJDF-JWQCQUIFSA-N -1 0 525.689 4.157 1 0 KIAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCC[P@@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270861 562793438 /nfs/dbraw/zinc/79/34/38/562793438.db2.gz WOCILHOYEVWEQE-DNQXCXABSA-N -1 0 511.577 4.057 1 0 KIAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCC(C)(C)C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270865 562793456 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AYPFNJVNXTYWGK-DEOSSOPVSA-N -1 0 575.670 4.087 1 0 KIAFRM Cc1ccc(S(=O)(=O)N(CC(N)=O)CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000096284677 562795274 /nfs/dbraw/zinc/79/52/74/562795274.db2.gz ZDLMKCIURNAORZ-UHFFFAOYSA-N -1 0 593.702 4.156 1 0 KIAFRM COc1cccc([C@H]2O[C@H](CCn3cc(C(=O)[O-])cn3)c3nnc(C)n3-c3ccc(Cl)cc32)c1OC ZINC000096285788 562795889 /nfs/dbraw/zinc/79/58/89/562795889.db2.gz PYSRBPQJQUYPEB-FGZHOGPDSA-N -1 0 509.950 4.392 1 0 KIAFRM CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000096302128 562796315 /nfs/dbraw/zinc/79/63/15/562796315.db2.gz AUBIUPWTRGPGHM-TWDTVJDVSA-N -1 0 837.899 4.258 1 0 KIAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000096901660 562797149 /nfs/dbraw/zinc/79/71/49/562797149.db2.gz GTWOZLUSMOSBEV-JOCHJYFZSA-N -1 0 547.511 4.293 1 0 KIAFRM 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CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2)cc1 ZINC000096923454 562802081 /nfs/dbraw/zinc/80/20/81/562802081.db2.gz GGDZUSVGHHPSCC-RUZDIDTESA-N -1 0 521.595 4.182 1 0 KIAFRM CC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2)cc1 ZINC000096923455 562802075 /nfs/dbraw/zinc/80/20/75/562802075.db2.gz XCZGTSRWCUGQHZ-AREMUKBSSA-N -1 0 535.622 4.429 1 0 KIAFRM CC1(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]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096923555 562802160 /nfs/dbraw/zinc/80/21/60/562802160.db2.gz CCDRPBGPIXPGRW-UIJKDBGXSA-N -1 0 634.851 4.030 1 0 KIAFRM CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096924016 562802215 /nfs/dbraw/zinc/80/22/15/562802215.db2.gz RGNHMZNWKUPSOS-OHSXHVKISA-N -1 0 676.704 4.334 1 0 KIAFRM CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096924017 562802222 /nfs/dbraw/zinc/80/22/22/562802222.db2.gz RGNHMZNWKUPSOS-KLJDGLGGSA-N -1 0 676.704 4.334 1 0 KIAFRM 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]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096927750 562802675 /nfs/dbraw/zinc/80/26/75/562802675.db2.gz WYDPEADEZMZKNM-XXRLCYBBSA-N -1 0 634.851 4.029 1 0 KIAFRM CCc1ccc(-n2c(=O)c3c[nH]nc3nc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000100617824 562807164 /nfs/dbraw/zinc/80/71/64/562807164.db2.gz GOWSSJSSTNNLPD-UHFFFAOYSA-N -1 0 509.389 4.098 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n([C@H]2CC[C@@H](O)CC2)c2ncnn21 ZINC000100638594 562807199 /nfs/dbraw/zinc/80/71/99/562807199.db2.gz CVDPCPAIFZILGD-MXVIHJGJSA-N -1 0 544.587 4.060 1 0 KIAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n([C@H]2CC[C@H](O)CC2)c2ncnn21 ZINC000100638596 562807229 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WYFVOOFOMUVMII-UHFFFAOYSA-N -1 0 531.874 4.484 1 0 KIAFRM CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)NC(C)(C)C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000146023701 562837983 /nfs/dbraw/zinc/83/79/83/562837983.db2.gz VSUWLPYLNRWCFN-GGXMVOPNSA-N -1 0 544.714 4.413 1 0 KIAFRM Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3[N-]S(C)(=O)=O)cc2nc1N1CCCC1 ZINC000147371610 562839346 /nfs/dbraw/zinc/83/93/46/562839346.db2.gz ZCUVSDQRNFPPAY-NRFANRHFSA-N -1 0 517.055 4.030 1 0 KIAFRM O=S(=O)([N-]c1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2cn[nH]c2)C1 ZINC000147403516 562839356 /nfs/dbraw/zinc/83/93/56/562839356.db2.gz XYJZIJLBVINFCQ-UHFFFAOYSA-N -1 0 506.535 4.329 1 0 KIAFRM O=S(=O)([N-]c1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2-n2ccnc2)C1 ZINC000147416402 562839343 /nfs/dbraw/zinc/83/93/43/562839343.db2.gz MYLRVYUECLKROG-UHFFFAOYSA-N -1 0 506.535 4.125 1 0 KIAFRM O=S(=O)([N-]c1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2cncnc2)C1 ZINC000147418160 562839347 /nfs/dbraw/zinc/83/93/47/562839347.db2.gz CSWYUBWEAKUYRC-UHFFFAOYSA-N -1 0 518.546 4.396 1 0 KIAFRM Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cccc2c1CCN(S(=O)(=O)[N-]c1ncccn1)C2 ZINC000147449229 562839378 /nfs/dbraw/zinc/83/93/78/562839378.db2.gz LKAXTXRXNLOAHP-UHFFFAOYSA-N -1 0 514.533 4.278 1 0 KIAFRM Cn1cc(-c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2nc[n-]s2)C3)cn1 ZINC000147470767 562839394 /nfs/dbraw/zinc/83/93/94/562839394.db2.gz BGYNZTFWBOFPBC-UHFFFAOYSA-N -1 0 520.562 4.339 1 0 KIAFRM CC(C)(C)OC(=O)N1CCc2c(cccc2-c2cccc3c2CCN(S(=O)(=O)N=c2nc[n-]s2)C3)C1 ZINC000147508612 562839445 /nfs/dbraw/zinc/83/94/45/562839445.db2.gz GRINVLHXNQJTKP-UHFFFAOYSA-N -1 0 527.672 4.213 1 0 KIAFRM Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3[N-]S(C)(=O)=O)cc2nc1N1CCC(F)(F)C1 ZINC000147512498 562839431 /nfs/dbraw/zinc/83/94/31/562839431.db2.gz UGWKKNYOACMERK-FQEVSTJZSA-N -1 0 553.035 4.275 1 0 KIAFRM CC(C)(C)OC(=O)N1CCC(n2cc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)cn2)CC1 ZINC000148177473 562840458 /nfs/dbraw/zinc/84/04/58/562840458.db2.gz RIMSDVSUOWUBJO-UHFFFAOYSA-N -1 0 537.646 4.312 1 0 KIAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(CC(=O)[O-])cc3)cc21 ZINC000148180323 562840454 /nfs/dbraw/zinc/84/04/54/562840454.db2.gz IJQVXQBLLSMQKR-UHFFFAOYSA-N -1 0 514.987 4.370 1 0 KIAFRM CCC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(C)ccc1F ZINC000149298378 562842526 /nfs/dbraw/zinc/84/25/26/562842526.db2.gz UGMBPDNGSYBTQH-UHFFFAOYSA-N -1 0 582.633 4.294 1 0 KIAFRM O=C[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(Cl)ccc1Cl ZINC000149312988 562842618 /nfs/dbraw/zinc/84/26/18/562842618.db2.gz CQNHXQBRYSMGBC-UHFFFAOYSA-N -1 0 591.452 4.373 1 0 KIAFRM CCNC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccccc1Cl ZINC000149313188 562842587 /nfs/dbraw/zinc/84/25/87/562842587.db2.gz MJUOGVCTKIUHSV-UHFFFAOYSA-N -1 0 600.076 4.293 1 0 KIAFRM Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(S(=O)(=O)[N-]C(=O)C3CC3)cnn21 ZINC000149332378 562842604 /nfs/dbraw/zinc/84/26/04/562842604.db2.gz 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/nfs/dbraw/zinc/84/26/57/562842657.db2.gz LDZGYCKYPVBQQZ-UHFFFAOYSA-N -1 0 618.066 4.432 1 0 KIAFRM Cc1ccc(F)c(Nc2c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc3c(S(=O)(=O)[N-]C(=O)NC4CC4)cnn32)c1 ZINC000149360101 562842647 /nfs/dbraw/zinc/84/26/47/562842647.db2.gz LYYATWSOAYDERR-UHFFFAOYSA-N -1 0 609.659 4.230 1 0 KIAFRM CCC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(F)ccc1F ZINC000149378132 562842652 /nfs/dbraw/zinc/84/26/52/562842652.db2.gz SLNUZAWMGXRSNS-UHFFFAOYSA-N -1 0 586.596 4.125 1 0 KIAFRM CCCC[C@H](N/C=C/[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000150528743 562843780 /nfs/dbraw/zinc/84/37/80/562843780.db2.gz TWCVWCJARGWXML-QLEUBDALSA-N -1 0 687.838 4.110 1 0 KIAFRM COc1ccc(-c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)c3ccc(OC)c(C)c3n2)cc1 ZINC000150531916 562843810 /nfs/dbraw/zinc/84/38/10/562843810.db2.gz FADASKISJNGVMM-JGRUNSQCSA-N -1 0 731.872 4.078 1 0 KIAFRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)nc(-c3ccccc3)nc2c1C ZINC000150531993 562843811 /nfs/dbraw/zinc/84/38/11/562843811.db2.gz UORMINBVIKJBBE-XHRHRZBSSA-N -1 0 701.846 4.069 1 0 KIAFRM COc1ccc2c(c1)nc(-n1cccn1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC3CCCC3)C(=O)N2C1 ZINC000150538416 562844064 /nfs/dbraw/zinc/84/40/64/562844064.db2.gz ONNCFDXTFKFFEM-OGQFAUFVSA-N -1 0 700.793 4.295 1 0 KIAFRM COc1ccc2c(c1)nc(-c1nnc(C)o1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000150538430 562844068 /nfs/dbraw/zinc/84/40/68/562844068.db2.gz NVVNPPFHEZIWDE-YUTMHXLUSA-N -1 0 704.781 4.323 1 0 KIAFRM O=[S@@](c1ccc2c(c1)CN(S(=O)(=O)[N-]S(=O)(=O)N1CCc3ccc([S@](=O)C(Cl)(Cl)Cl)cc3C1)CC2)C(Cl)(Cl)Cl ZINC000150538957 562844108 /nfs/dbraw/zinc/84/41/08/562844108.db2.gz OJAGLRGNPWMTGE-FZNHDDJXSA-N -1 0 738.373 4.053 1 0 KIAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[N-]S(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCCN(C)C(=O)N2C1 ZINC000150558122 562844810 /nfs/dbraw/zinc/84/48/10/562844810.db2.gz LANAXHBGCCJCFF-IAWFJSQFSA-N -1 0 701.846 4.397 1 0 KIAFRM CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccc(I)cc1I ZINC000150583535 562845669 /nfs/dbraw/zinc/84/56/69/562845669.db2.gz QPBNWUXUYXNOME-YCVJPRETSA-N -1 0 875.587 4.098 1 0 KIAFRM NC(=O)c1c(F)ccc(O[C@H](COC(=O)Nc2nnn[n-]2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593702 562846459 /nfs/dbraw/zinc/84/64/59/562846459.db2.gz SJMCBRISIHBKKT-GFCCVEGCSA-N -1 0 618.273 4.382 1 0 KIAFRM NC(=O)c1c(F)ccc(O[C@@H](COC(=O)Nc2nnn[n-]2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593708 562846446 /nfs/dbraw/zinc/84/64/46/562846446.db2.gz SJMCBRISIHBKKT-LBPRGKRZSA-N -1 0 618.273 4.382 1 0 KIAFRM C[C@@H](NC(=O)c1cc(OS(=O)(=O)Cc2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)n1)c1ccccc1 ZINC000150594174 562846483 /nfs/dbraw/zinc/84/64/83/562846483.db2.gz UYJLDGJSVBEVDM-ZQISIDMISA-N -1 0 760.833 4.002 1 0 KIAFRM CC(C)Sc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000150594214 562846504 /nfs/dbraw/zinc/84/65/04/562846504.db2.gz DAEDWFVZDBSCRL-YXQUNVLPSA-N -1 0 692.802 4.274 1 0 KIAFRM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cc(=O)cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)o1 ZINC000150594334 562846525 /nfs/dbraw/zinc/84/65/25/562846525.db2.gz QGCMZGOICUFJSF-VBTAUBHQSA-N -1 0 683.725 4.003 1 0 KIAFRM CC(C)[C@H](C(=O)N[C@H]1C(=O)Cc2ccccc21)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc21)[C@@H](C)OP(=O)([O-])[O-] ZINC000150594862 562846564 /nfs/dbraw/zinc/84/65/64/562846564.db2.gz WPMCAFGGHDSURD-CSPSPLQSSA-N -1 0 781.840 4.420 1 0 KIAFRM CC(C)[C@H](C(=O)N[C@H]1C(=O)Cc2ccccc21)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc21)[C@H](C)OP(=O)([O-])[O-] ZINC000150594865 562846576 /nfs/dbraw/zinc/84/65/76/562846576.db2.gz WPMCAFGGHDSURD-PUSRBIQMSA-N -1 0 781.840 4.420 1 0 KIAFRM COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1CCN(C(C)=O)CC1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150597166 562846787 /nfs/dbraw/zinc/84/67/87/562846787.db2.gz BBLJZPXJPLUHQR-BVGRYSDNSA-N -1 0 661.825 4.079 1 0 KIAFRM COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1CCN(C(C)=O)CC1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150597169 562846783 /nfs/dbraw/zinc/84/67/83/562846783.db2.gz BBLJZPXJPLUHQR-UYHPJTEGSA-N -1 0 661.825 4.079 1 0 KIAFRM COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1CCN(C(C)=O)CC1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150597172 562846774 /nfs/dbraw/zinc/84/67/74/562846774.db2.gz BBLJZPXJPLUHQR-WHMAPKLYSA-N -1 0 661.825 4.079 1 0 KIAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CCN(C(C)=O)CC1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150597174 562846775 /nfs/dbraw/zinc/84/67/75/562846775.db2.gz BBLJZPXJPLUHQR-YTWZBVJHSA-N -1 0 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562861594 /nfs/dbraw/zinc/86/15/94/562861594.db2.gz PXIOMJSIQUTWMS-GFCCVEGCSA-N -1 0 665.003 4.261 1 0 KIAFRM [NH3+][C@H](Cc1cc(I)c(Cc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000169346244 562861742 /nfs/dbraw/zinc/86/17/42/562861742.db2.gz MTUGLISWKJCYIT-CQSZACIVSA-N -1 0 774.900 4.356 1 0 KIAFRM O=C(NC[C@@H](O)c1cc(Br)c([O-])c(Br)c1)c1[nH]cc(Br)c1Br ZINC000169352324 562863073 /nfs/dbraw/zinc/86/30/73/562863073.db2.gz PMOSWHTYVZFKKA-SECBINFHSA-N -1 0 561.850 4.234 1 0 KIAFRM O=C(NC[C@@H](O)c1cc(Br)c([O-])c(Br)c1)c1cc(Br)c(Br)[nH]1 ZINC000169352325 562863090 /nfs/dbraw/zinc/86/30/90/562863090.db2.gz WDBXJXWQJSNSKY-SNVBAGLBSA-N -1 0 561.850 4.234 1 0 KIAFRM CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1cncc2ccccc21)C(=O)[O-] ZINC000169352690 562863141 /nfs/dbraw/zinc/86/31/41/562863141.db2.gz NTEUEIYNNBRPRW-QFIPXVFZSA-N -1 0 535.651 4.058 1 0 KIAFRM CN1C[C@@H]([C@@H](CC(=O)[O-])CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)Cc2ccccc21 ZINC000169359481 562864078 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562865837 /nfs/dbraw/zinc/86/58/37/562865837.db2.gz HMOKYPSJOISPSI-GOTSBHOMSA-N -1 0 501.568 4.006 1 0 KIAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)COC2)no1 ZINC000169697124 562866395 /nfs/dbraw/zinc/86/63/95/562866395.db2.gz KLNCTQVQTQNZGS-SFHVURJKSA-N -1 0 538.885 4.056 1 0 KIAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OC[C@@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000169697141 562866432 /nfs/dbraw/zinc/86/64/32/562866432.db2.gz SDJNJNHVRLVGFW-INIZCTEOSA-N -1 0 524.858 4.265 1 0 KIAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OC[C@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000169697142 562866397 /nfs/dbraw/zinc/86/63/97/562866397.db2.gz SDJNJNHVRLVGFW-MRXNPFEDSA-N -1 0 524.858 4.265 1 0 KIAFRM COC(=O)[C@@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)s2)s1)c1ccccc1 ZINC000169697954 562866742 /nfs/dbraw/zinc/86/67/42/562866742.db2.gz UXHGINYUPXHKDC-RTWAWAEBSA-N -1 0 622.729 4.437 1 0 KIAFRM COC(=O)[C@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)s2)s1)c1ccccc1 ZINC000169697955 562866757 /nfs/dbraw/zinc/86/67/57/562866757.db2.gz UXHGINYUPXHKDC-NHCUHLMSSA-N -1 0 622.729 4.437 1 0 KIAFRM COC(=O)[C@@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@H](C(=O)[O-])c3ccccc3)s2)s1)c1ccccc1 ZINC000169697956 562866738 /nfs/dbraw/zinc/86/67/38/562866738.db2.gz UXHGINYUPXHKDC-SFTDATJTSA-N -1 0 622.729 4.437 1 0 KIAFRM COC(=O)[C@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@H](C(=O)[O-])c3ccccc3)s2)s1)c1ccccc1 ZINC000169697957 562866746 /nfs/dbraw/zinc/86/67/46/562866746.db2.gz UXHGINYUPXHKDC-LEWJYISDSA-N -1 0 622.729 4.437 1 0 KIAFRM O=C(Cc1cccc(C[N-]C(=O)C(F)(F)F)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698368 562867194 /nfs/dbraw/zinc/86/71/94/562867194.db2.gz UYLOTMLFPXCLCF-UHFFFAOYSA-N -1 0 611.650 4.434 1 0 KIAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C ZINC000169700293 562867677 /nfs/dbraw/zinc/86/76/77/562867677.db2.gz ILYOQZXIICERIJ-OAQYLSRUSA-N -1 0 505.598 4.204 1 0 KIAFRM O=C([O-])CNC(=O)c1nc(-c2ccccc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169710901 562870706 /nfs/dbraw/zinc/87/07/06/562870706.db2.gz RLHGRPFIJMTBOU-UHFFFAOYSA-N -1 0 505.530 4.299 1 0 KIAFRM CC(C)C[C@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000195515203 562872089 /nfs/dbraw/zinc/87/20/89/562872089.db2.gz FGNLDYJYAYNVTG-BBACVFHCSA-N -1 0 774.912 4.448 1 0 KIAFRM CCOc1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000199852725 562873165 /nfs/dbraw/zinc/87/31/65/562873165.db2.gz GXVNJYCNFDGQPG-UHFFFAOYSA-N -1 0 528.530 4.432 1 0 KIAFRM COc1ccccc1NC1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)c(C)c2)C1 ZINC000200252633 562873270 /nfs/dbraw/zinc/87/32/70/562873270.db2.gz NMIAREXYILNFSA-UHFFFAOYSA-N -1 0 502.596 4.289 1 0 KIAFRM COc1ccccc1N(C)C1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)C1 ZINC000200253725 562873327 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COc1ccccc1OC1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)c(C)c2)C1 ZINC000203772643 562874113 /nfs/dbraw/zinc/87/41/13/562874113.db2.gz HYFPZHQJVQTXJK-UHFFFAOYSA-N -1 0 503.580 4.256 1 0 KIAFRM C[C@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc3c[nH]nc3c2)CCN1C(=O)Cc1csc2ccccc12 ZINC000205114318 562874960 /nfs/dbraw/zinc/87/49/60/562874960.db2.gz KGPCQGPVKJIRHX-HHHXNRCGSA-N -1 0 504.612 4.205 1 0 KIAFRM C[C@@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc3c[nH]nc3c2)CCN1C(=O)Cc1csc2ccccc12 ZINC000205114332 562874943 /nfs/dbraw/zinc/87/49/43/562874943.db2.gz KGPCQGPVKJIRHX-MHZLTWQESA-N -1 0 504.612 4.205 1 0 KIAFRM C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3c(cccc3[N-]S(C)(=O)=O)[nH]2)C1=O ZINC000205335946 562875124 /nfs/dbraw/zinc/87/51/24/562875124.db2.gz KUPHFXYMPCLWSV-AKJBCIBTSA-N -1 0 522.558 4.252 1 0 KIAFRM CC(=O)n1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)[N-]c3ncns3)nc21 ZINC000205423042 562875295 /nfs/dbraw/zinc/87/52/95/562875295.db2.gz IOERYDPCQVIDAO-UHFFFAOYSA-N -1 0 547.544 4.435 1 0 KIAFRM 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562915048 /nfs/dbraw/zinc/91/50/48/562915048.db2.gz ASPFFBZLAUUDQN-UHFFFAOYSA-N -1 0 514.003 4.176 1 0 KIAFRM Cc1cc[n+]([O-])cc1CN1C(=O)c2c(c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2Cl)C1=O ZINC000653853296 562915667 /nfs/dbraw/zinc/91/56/67/562915667.db2.gz LXGJGXSTEQGOSZ-UHFFFAOYSA-N -1 0 514.003 4.176 1 0 KIAFRM COC(=O)c1c(O)cc([O-])c(Cl)c1CCc1nccn1Cc1cccc(I)c1 ZINC000653857555 562915798 /nfs/dbraw/zinc/91/57/98/562915798.db2.gz VZUQPBDJIBKRSP-UHFFFAOYSA-N -1 0 512.731 4.172 1 0 KIAFRM [NH3+][C@@H](CO[P@](=O)([O-])OC[C@H]1OCC=C[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000653861796 562916021 /nfs/dbraw/zinc/91/60/21/562916021.db2.gz QUMUJVAMABZIDA-WIIGKZCBSA-N -1 0 627.583 4.403 1 0 KIAFRM [NH3+][C@@H](CO[P@](=O)([O-])OC[C@H]1OCC=C[C@@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000653862880 562916047 /nfs/dbraw/zinc/91/60/47/562916047.db2.gz QUMUJVAMABZIDA-PIZZNKLWSA-N -1 0 627.583 4.403 1 0 KIAFRM CC(C)N1CCN(S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2[O-])CC1 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CCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O2 ZINC000653890250 562917164 /nfs/dbraw/zinc/91/71/64/562917164.db2.gz DZXPSPAUUMTFQA-ZEQKJWHPSA-N -1 0 522.506 4.248 1 0 KIAFRM COC(=O)c1c(O)cc([O-])c(Cl)c1CCc1nccn1Cc1ccc(I)cc1 ZINC000653916361 562917891 /nfs/dbraw/zinc/91/78/91/562917891.db2.gz GHVJKFIQXKPXSH-UHFFFAOYSA-N -1 0 512.731 4.172 1 0 KIAFRM O=C([O-])c1cccc(NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2cccc(Br)c2)c1 ZINC000000657968 561675331 /nfs/dbraw/zinc/67/53/31/561675331.db2.gz DEBDJBSSWOEXCO-OCKHKDLRSA-N -1 0 509.312 4.286 3 0 KIAFRM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3Cl)NC(=O)c3ccccc3)cc2)nc(OC)n1 ZINC000006088731 561702592 /nfs/dbraw/zinc/70/25/92/561702592.db2.gz FMPCVNBXOLQHGI-KQWNVCNZSA-N -1 0 594.049 4.358 3 0 KIAFRM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000008686920 561707617 /nfs/dbraw/zinc/70/76/17/561707617.db2.gz AALBSNQDJDYHSI-NRFANRHFSA-N -1 0 550.500 4.115 3 0 KIAFRM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000008686922 561707565 /nfs/dbraw/zinc/70/75/65/561707565.db2.gz AALBSNQDJDYHSI-OAQYLSRUSA-N -1 0 550.500 4.115 3 0 KIAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@H]1C ZINC000014243547 574413365 /nfs/dbraw/zinc/41/33/65/574413365.db2.gz PRAUVHZJPXOEIF-XVVZVQAKSA-N -1 0 504.708 4.004 3 0 endogenous,in-man KIAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5[C@H](O)C[C@]43C)[C@@H]2[C@H]1C ZINC000014243548 574413370 /nfs/dbraw/zinc/41/33/70/574413370.db2.gz PRAUVHZJPXOEIF-AGDHMSGPSA-N -1 0 504.708 4.004 3 0 endogenous,in-man KIAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5[C@H](O)C[C@]43C)[C@@H]2[C@H]1C ZINC000014243549 574413369 /nfs/dbraw/zinc/41/33/69/574413369.db2.gz PRAUVHZJPXOEIF-OEEMGNOISA-N -1 0 504.708 4.004 3 0 endogenous,in-man KIAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000038154866 562067973 /nfs/dbraw/zinc/06/79/73/562067973.db2.gz KGGGRGBDMBZXKF-MKUULYGRSA-N -1 0 504.708 4.148 3 0 KIAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000038154867 562067962 /nfs/dbraw/zinc/06/79/62/562067962.db2.gz KGGGRGBDMBZXKF-SKLCNCOOSA-N -1 0 504.708 4.148 3 0 KIAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000038154869 291829736 /nfs/dbraw/zinc/82/97/36/291829736.db2.gz KGGGRGBDMBZXKF-IUDWHMODSA-N -1 0 504.708 4.148 3 0 biogenic,in-vitro KIAFRM CCOC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@@H]1c1ccccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000059796532 562702366 /nfs/dbraw/zinc/70/23/66/562702366.db2.gz FABQWFMWBZRVOD-RUZDIDTESA-N -1 0 544.626 4.311 3 0 KIAFRM CCOC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1ccccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000059796533 562702379 /nfs/dbraw/zinc/70/23/79/562702379.db2.gz FABQWFMWBZRVOD-VWLOTQADSA-N -1 0 544.626 4.311 3 0 KIAFRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061908099 562703093 /nfs/dbraw/zinc/70/30/93/562703093.db2.gz NSSZHPXMAHIOQP-XMMPIXPASA-N -1 0 503.045 4.296 3 0 KIAFRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061908100 562703107 /nfs/dbraw/zinc/70/31/07/562703107.db2.gz NSSZHPXMAHIOQP-DEOSSOPVSA-N -1 0 503.045 4.296 3 0 KIAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2nnc(-c3ccccc3)c2COc2ccc3ccccc3c2)cc1 ZINC000061929614 562703617 /nfs/dbraw/zinc/70/36/17/562703617.db2.gz UJDBEXAALZYFNZ-UHFFFAOYSA-N -1 0 512.591 4.491 3 0 KIAFRM COc1ccc(NC(=O)N(C)C[C@H]2Oc3c([N-]S(=O)(=O)c4ccc(F)cc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000066156469 562713752 /nfs/dbraw/zinc/71/37/52/562713752.db2.gz QVMULHANBBKMOE-ASHZAFPQSA-N -1 0 614.696 4.019 3 0 KIAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066166736 562714130 /nfs/dbraw/zinc/71/41/30/562714130.db2.gz PZFUNUDWCSQQQA-OUDXUNEISA-N -1 0 584.670 4.011 3 0 KIAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)O2 ZINC000072128656 562726222 /nfs/dbraw/zinc/72/62/22/562726222.db2.gz UJFZKFFXBWJNCG-RJYGXOMWSA-N -1 0 653.680 4.495 3 0 KIAFRM COc1ccc(NC(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4cn(C)cn4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095567953 562766167 /nfs/dbraw/zinc/76/61/67/562766167.db2.gz PXXIFATUPAVBKQ-TXHDDHBJSA-N -1 0 700.859 4.189 3 0 KIAFRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000095600211 562778718 /nfs/dbraw/zinc/77/87/18/562778718.db2.gz MFCLVMJOOAXBFA-HHHXNRCGSA-N -1 0 528.577 4.183 3 0 KIAFRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000095600212 562778708 /nfs/dbraw/zinc/77/87/08/562778708.db2.gz MFCLVMJOOAXBFA-MHZLTWQESA-N -1 0 528.577 4.183 3 0 KIAFRM CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3csc(C(=O)[O-])c3)CC2)oc1-c1ccccc1 ZINC000095600334 562778815 /nfs/dbraw/zinc/77/88/15/562778815.db2.gz WYCDQBHCWCJHJA-UHFFFAOYSA-N -1 0 517.629 4.200 3 0 KIAFRM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc(OC)c1OC ZINC000100510998 562807157 /nfs/dbraw/zinc/80/71/57/562807157.db2.gz CLWXOFDABYJHOI-UHFFFAOYSA-N -1 0 526.593 4.467 3 0 KIAFRM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cc2)c1C ZINC000102256180 562813045 /nfs/dbraw/zinc/81/30/45/562813045.db2.gz ZCNQHKRUPDFZIC-UHFFFAOYSA-N -1 0 540.623 4.170 3 0 KIAFRM