smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102374105 130124146 /nfs/dbraw/zinc/12/41/46/130124146.db2.gz NGLXWMLJAYJIBC-MRJHHRETSA-N 0 1 487.394 4.220 50 30 JIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCOC)ccc1O ZINC000102436166 130131113 /nfs/dbraw/zinc/13/11/13/130131113.db2.gz QFNWZSPHPRBAOU-NXLSWJSLSA-N 0 1 483.561 4.202 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000102484793 130139055 /nfs/dbraw/zinc/13/90/55/130139055.db2.gz VRFMWMWFKVJRQX-ZHHPLPSFSA-N 0 1 474.513 4.038 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC ZINC000102497686 130151596 /nfs/dbraw/zinc/15/15/96/130151596.db2.gz OBSCDSMUWGWNKJ-MWCANZRFSA-N 0 1 495.572 4.266 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102691872 130239115 /nfs/dbraw/zinc/23/91/15/130239115.db2.gz NZBFDXPCMKSFIZ-WOOAAIBNSA-N 0 1 469.837 4.180 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102710079 130256284 /nfs/dbraw/zinc/25/62/84/130256284.db2.gz SYMPKMXNVKNAPM-WOOAAIBNSA-N 0 1 469.291 4.380 50 30 JIEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000102749518 130289587 /nfs/dbraw/zinc/28/95/87/130289587.db2.gz GQDQOXVINNONPK-ZHHPLPSFSA-N 0 1 468.465 4.236 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102858526 130328765 /nfs/dbraw/zinc/32/87/65/130328765.db2.gz YKJANQMZLXTUPF-IBOXJLQUSA-N 0 1 499.526 4.224 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102861089 130332009 /nfs/dbraw/zinc/33/20/09/130332009.db2.gz BEZLAMRKOUODHQ-NXLSWJSLSA-N 0 1 475.545 4.193 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)c(OC)c1 ZINC000102872583 130344207 /nfs/dbraw/zinc/34/42/07/130344207.db2.gz DODJTIXRLBJZAC-SELCWUDQSA-N 0 1 456.907 4.440 50 30 JIEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102879494 130354236 /nfs/dbraw/zinc/35/42/36/130354236.db2.gz FTNNVKZJSHIYEN-GHNGSUTGSA-N 0 1 453.451 4.434 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000102882685 130361558 /nfs/dbraw/zinc/36/15/58/130361558.db2.gz MTFWQOLVDXOMGG-UYTDBDHRSA-N 0 1 474.311 4.374 50 30 JIEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102890687 130372094 /nfs/dbraw/zinc/37/20/94/130372094.db2.gz KMMMVCQGFAWLHE-CZNAVJSXSA-N 0 1 492.616 4.180 50 30 JIEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302315 518302740 /nfs/dbraw/zinc/30/27/40/518302740.db2.gz PQUAOQZAQVLNFJ-DEOSSOPVSA-N 0 1 475.589 4.204 50 30 JIEAMN C=CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000002971344 519015814 /nfs/dbraw/zinc/01/58/14/519015814.db2.gz RXAGSQRQGUYOFT-SFQUDFHCSA-N 0 1 487.375 4.244 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009361318 519022840 /nfs/dbraw/zinc/02/28/40/519022840.db2.gz NFTOSBSIXXFMLM-RUZDIDTESA-N 0 1 486.524 4.442 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009042150 519041197 /nfs/dbraw/zinc/04/11/97/519041197.db2.gz KBQTYQPHACZSST-SBXHHDGASA-N 0 1 496.991 4.049 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009042158 519047374 /nfs/dbraw/zinc/04/73/74/519047374.db2.gz KBQTYQPHACZSST-NXLSWJSLSA-N 0 1 496.991 4.049 50 30 JIEAMN CCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000032822149 519988761 /nfs/dbraw/zinc/98/87/61/519988761.db2.gz VXUOFDJKYGDUJI-NRFANRHFSA-O 0 1 468.592 4.431 50 30 JIEAMN CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000009354868 520213942 /nfs/dbraw/zinc/21/39/42/520213942.db2.gz WHTIKZYYSIQXTC-OAQYLSRUSA-N 0 1 460.557 4.009 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000009994286 520324966 /nfs/dbraw/zinc/32/49/66/520324966.db2.gz OQGCMOIISYUZNG-AREMUKBSSA-N 0 1 492.616 4.393 50 30 JIEAMN CCOC(=O)C(=NNc1ccc(C(C)=O)cc1)C(=O)CSc1ccc(Br)cc1 ZINC000015636966 520395658 /nfs/dbraw/zinc/39/56/58/520395658.db2.gz BQNKWIIZGTULRH-NMWGTECJSA-N 0 1 463.353 4.344 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009275729 520860970 /nfs/dbraw/zinc/86/09/70/520860970.db2.gz SVHUVTSETCJUKI-HSZRJFAPSA-N 0 1 469.534 4.113 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009236797 520884433 /nfs/dbraw/zinc/88/44/33/520884433.db2.gz VZVXWPVKRFMIJU-HXUWFJFHSA-N 0 1 466.515 4.342 50 30 JIEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009487958 521417221 /nfs/dbraw/zinc/41/72/21/521417221.db2.gz BLKZKYJSJZVQRO-XMMPIXPASA-N 0 1 472.497 4.030 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000009334410 521611520 /nfs/dbraw/zinc/61/15/20/521611520.db2.gz GEJTVGQARXMZBZ-GOSISDBHSA-N 0 1 498.513 4.021 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000009043354 521611888 /nfs/dbraw/zinc/61/18/88/521611888.db2.gz PFOIKSZMTQXCAP-IBGZPJMESA-N 0 1 494.525 4.125 50 30 JIEAMN CCOCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OCC)cc1 ZINC000066091539 521705644 /nfs/dbraw/zinc/70/56/44/521705644.db2.gz DDMDCPQEKYXICA-QHCPKHFHSA-N 0 1 453.535 4.489 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000009008691 522422843 /nfs/dbraw/zinc/42/28/43/522422843.db2.gz KCWXBKFOUHNSKY-LJQANCHMSA-N 0 1 496.516 4.477 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009184818 523556247 /nfs/dbraw/zinc/55/62/47/523556247.db2.gz FVEQZAIADCHIGG-FQEVSTJZSA-N 0 1 463.361 4.450 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009184818 523556268 /nfs/dbraw/zinc/55/62/68/523556268.db2.gz FVEQZAIADCHIGG-FQEVSTJZSA-N 0 1 463.361 4.450 50 30 JIEAMN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009424732 524171834 /nfs/dbraw/zinc/17/18/34/524171834.db2.gz AIKBMYMSIXUXAP-VWLOTQADSA-N 0 1 471.509 4.287 50 30 JIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000015934788 524978117 /nfs/dbraw/zinc/97/81/17/524978117.db2.gz YBZSPYNGANYAPU-QMHKHESXSA-N 0 1 461.493 4.014 50 30 JIEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009334328 525370114 /nfs/dbraw/zinc/37/01/14/525370114.db2.gz FSXVBAAISMGKOL-QHCPKHFHSA-N 0 1 481.549 4.078 50 30 JIEAMN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(CCO)CC2)c1Cc1ccccc1Cl ZINC000020462331 525532286 /nfs/dbraw/zinc/53/22/86/525532286.db2.gz RMKIKVQTPNZHGX-UHFFFAOYSA-N 0 1 459.981 4.026 50 30 JIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000009375114 526198041 /nfs/dbraw/zinc/19/80/41/526198041.db2.gz DHLULWDVZXXOGD-SANMLTNESA-N 0 1 486.568 4.420 50 30 JIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000009375114 526198048 /nfs/dbraw/zinc/19/80/48/526198048.db2.gz DHLULWDVZXXOGD-SANMLTNESA-N 0 1 486.568 4.420 50 30 JIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)ccc1OC(C)C ZINC000009312318 526199946 /nfs/dbraw/zinc/19/99/46/526199946.db2.gz LJZBOHJHUHBQFH-VWLOTQADSA-N 0 1 496.579 4.222 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000009124269 526271258 /nfs/dbraw/zinc/27/12/58/526271258.db2.gz WYXBXKJVLINGDA-SFHVURJKSA-N 0 1 454.891 4.351 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000009459188 526353713 /nfs/dbraw/zinc/35/37/13/526353713.db2.gz RSHYBJPLHZCPNP-SFHVURJKSA-N 0 1 469.906 4.054 50 30 JIEAMN O=C1N=C(NN=C2SC(C=C(O)c3ccc4c(c3)CCCC4)C(=O)N2Cc2ccco2)CS1 ZINC000016779531 527184371 /nfs/dbraw/zinc/18/43/71/527184371.db2.gz VRWKFAKEXHDRDD-MJOLOOBESA-N 0 1 482.587 4.001 50 30 JIEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c1 ZINC000102884637 535093999 /nfs/dbraw/zinc/09/39/99/535093999.db2.gz ZNFNRIPAOWSBET-NXLSWJSLSA-N 0 1 481.545 4.095 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000102876445 535688169 /nfs/dbraw/zinc/68/81/69/535688169.db2.gz DJZLOPJPNBUAOU-BJMTZXNMSA-N 0 1 457.910 4.045 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102803438 536565405 /nfs/dbraw/zinc/56/54/05/536565405.db2.gz LPPNSUKQCUDKMN-JBCNATCCSA-N 0 1 496.361 4.166 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102925895 536565921 /nfs/dbraw/zinc/56/59/21/536565921.db2.gz ARADTNRBVCBHGL-NHFXJNLRSA-N 0 1 463.361 4.294 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102695949 536566084 /nfs/dbraw/zinc/56/60/84/536566084.db2.gz GXTADTJWOIRDSQ-ZHHPLPSFSA-N 0 1 450.579 4.284 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102728258 536884254 /nfs/dbraw/zinc/88/42/54/536884254.db2.gz NSICOWGRROKIRA-AYWGPLOBSA-N 0 1 474.513 4.038 50 30 JIEAMN CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2cccc(C)c2C)CC1 ZINC000002386465 554177953 /nfs/dbraw/zinc/17/79/53/554177953.db2.gz ASENRQBEBFNJSW-OAQYLSRUSA-N 0 1 456.594 4.097 50 30 JIEAMN CC(C)N(C(=O)COc1ccc(C=Nn2c(C(F)(F)F)n[nH]c2=S)cc1)c1ccccc1 ZINC000002544710 554235019 /nfs/dbraw/zinc/23/50/19/554235019.db2.gz GRLKXVPYYUQHAH-BRJLIKDPSA-N 0 1 463.485 4.288 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000008741044 554643237 /nfs/dbraw/zinc/64/32/37/554643237.db2.gz WBBLAVGCIDQJQI-FQEVSTJZSA-N 0 1 454.866 4.437 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2cccs2)nc1C ZINC000008779355 554676565 /nfs/dbraw/zinc/67/65/65/554676565.db2.gz WKVZVRYBMHMPMS-OAHLLOKOSA-N 0 1 458.517 4.374 50 30 JIEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(Cl)cc3)oc21 ZINC000008816740 554698829 /nfs/dbraw/zinc/69/88/29/554698829.db2.gz MYTXTRUXXPLHJZ-JOCHJYFZSA-N 0 1 496.947 4.005 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008836774 554737056 /nfs/dbraw/zinc/73/70/56/554737056.db2.gz ZQSVCMKMDDOEOE-DEOSSOPVSA-N 0 1 496.991 4.205 50 30 JIEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1OC ZINC000008845544 554743131 /nfs/dbraw/zinc/74/31/31/554743131.db2.gz WKNMJEZUUFXUSO-VWLOTQADSA-N 0 1 463.534 4.328 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000008857913 554754501 /nfs/dbraw/zinc/75/45/01/554754501.db2.gz UMDGWXRSDKSNFR-XMMPIXPASA-N 0 1 456.498 4.434 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000008903357 554797462 /nfs/dbraw/zinc/79/74/62/554797462.db2.gz VFGAEPMCASXWED-AWEZNQCLSA-N 0 1 462.350 4.453 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008915032 554808055 /nfs/dbraw/zinc/80/80/55/554808055.db2.gz HLQSONQCXUCGCL-IBGZPJMESA-N 0 1 469.837 4.336 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000008926679 554823655 /nfs/dbraw/zinc/82/36/55/554823655.db2.gz SVSSHPUNEVEACM-SANMLTNESA-N 0 1 490.600 4.169 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000008987411 554849855 /nfs/dbraw/zinc/84/98/55/554849855.db2.gz IQDHPKJZEOFQIP-WOOAAIBNSA-N 0 1 493.785 4.094 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000008996208 554856542 /nfs/dbraw/zinc/85/65/42/554856542.db2.gz CJWDFMWZBDEHDY-QGZVFWFLSA-N 0 1 452.463 4.160 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)s1 ZINC000009541727 555334278 /nfs/dbraw/zinc/33/42/78/555334278.db2.gz BUYBRCKGSKNPEL-WYRIXSBYSA-N 0 1 451.479 4.092 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccco2)nc1C ZINC000013552911 555492923 /nfs/dbraw/zinc/49/29/23/555492923.db2.gz NYPLXJXTRHACQP-QGZVFWFLSA-N 0 1 452.488 4.313 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)nc1C ZINC000013569396 555507987 /nfs/dbraw/zinc/50/79/87/555507987.db2.gz NRPRQZZTGNJXHF-OAHLLOKOSA-N 0 1 458.492 4.222 50 30 JIEAMN CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000013800810 555621444 /nfs/dbraw/zinc/62/14/44/555621444.db2.gz JUSKXXIOIPSIHC-QHCPKHFHSA-N 0 1 470.621 4.256 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219447 555714433 /nfs/dbraw/zinc/71/44/33/555714433.db2.gz DAPNFHLTSWMUKJ-DEOSSOPVSA-N 0 1 464.562 4.179 50 30 JIEAMN 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C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009271463 519022780 /nfs/dbraw/zinc/02/27/80/519022780.db2.gz ZRBYEMHYLHXWFN-HSZRJFAPSA-N 0 1 471.469 4.333 50 30 JIEAMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(OCC)c1O ZINC000009056455 519126556 /nfs/dbraw/zinc/12/65/56/519126556.db2.gz GDTPHYPUTWZVAR-LICLKQGHSA-N 0 1 487.375 4.113 50 30 JIEAMN CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(Cc3cc(F)cc(F)c3)CC2)C1=O ZINC000012053116 519339594 /nfs/dbraw/zinc/33/95/94/519339594.db2.gz KSFNZGOFEVDCGK-MHZLTWQESA-N 0 1 465.544 4.124 50 30 JIEAMN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009071221 519781623 /nfs/dbraw/zinc/78/16/23/519781623.db2.gz JOAVWEXXFXMQAV-HSZRJFAPSA-N 0 1 463.509 4.478 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000009994303 520324713 /nfs/dbraw/zinc/32/47/13/520324713.db2.gz BQIJBNGRFKMJLX-RUZDIDTESA-N 0 1 496.579 4.224 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009065882 520327339 /nfs/dbraw/zinc/32/73/39/520327339.db2.gz HQKFCWREYBNEGV-QHCPKHFHSA-N 0 1 484.980 4.039 50 30 JIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000009240840 520419071 /nfs/dbraw/zinc/41/90/71/520419071.db2.gz OKXWQCNYWLPBEU-NPJIAGGLSA-N 0 1 496.604 4.255 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000009357368 520858859 /nfs/dbraw/zinc/85/88/59/520858859.db2.gz ZFMZFDSFGPCGTQ-XMMPIXPASA-N 0 1 482.577 4.023 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1C ZINC000009403454 520860533 /nfs/dbraw/zinc/86/05/33/520860533.db2.gz HJYPGSOYKKOEDP-HSZRJFAPSA-N 0 1 452.551 4.019 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)cc2)cc1C ZINC000009403454 520860541 /nfs/dbraw/zinc/86/05/41/520860541.db2.gz HJYPGSOYKKOEDP-HSZRJFAPSA-N 0 1 452.551 4.019 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(Br)c2)cc1 ZINC000016700826 520876193 /nfs/dbraw/zinc/87/61/93/520876193.db2.gz TWFJFGJZGSCHOX-FQEVSTJZSA-N 0 1 474.351 4.463 50 30 JIEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c1 ZINC000009411886 520909523 /nfs/dbraw/zinc/90/95/23/520909523.db2.gz AVHVRLYUBUBQBK-DEOSSOPVSA-N 0 1 481.545 4.252 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000016729332 521238723 /nfs/dbraw/zinc/23/87/23/521238723.db2.gz MJBFLUMECPPWSI-HSZRJFAPSA-N 0 1 462.477 4.407 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000015952847 521239284 /nfs/dbraw/zinc/23/92/84/521239284.db2.gz SEDIYFLCPNQLEM-VZDNWZCBSA-N 0 1 463.530 4.166 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020548891 521267187 /nfs/dbraw/zinc/26/71/87/521267187.db2.gz KKAMBXGYVNUUIQ-QHCPKHFHSA-N 0 1 470.541 4.152 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccnc2)nc1C ZINC000008468424 521612242 /nfs/dbraw/zinc/61/22/42/521612242.db2.gz XALHTWOOJIPFFB-IBGZPJMESA-N 0 1 493.541 4.123 50 30 JIEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009470969 522164357 /nfs/dbraw/zinc/16/43/57/522164357.db2.gz CDVMNLSPJXJYHH-NPMXOYFQSA-N 0 1 473.481 4.168 50 30 JIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009124662 522172479 /nfs/dbraw/zinc/17/24/79/522172479.db2.gz RBAKUQOKKHKIOS-RBZFPXEDSA-N 0 1 476.510 4.036 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009177182 523573303 /nfs/dbraw/zinc/57/33/03/523573303.db2.gz UJBRJLPWHNZZJM-GOSISDBHSA-N 0 1 466.291 4.031 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Cl)cc3)oc21 ZINC000009236775 524256511 /nfs/dbraw/zinc/25/65/11/524256511.db2.gz CCYXZIQPQKYQNP-YDJIHCHBSA-N 0 1 454.910 4.078 50 30 JIEAMN C[C@H]1Oc2ccc(C(=O)CSc3nc(-c4ccc(Cl)cc4)c(C#N)c(=O)[nH]3)cc2NC1=O ZINC000028616573 525062982 /nfs/dbraw/zinc/06/29/82/525062982.db2.gz KGOPTAJBRYUEOO-LLVKDONJSA-N 0 1 466.906 4.069 50 30 JIEAMN COc1ccc2nc(SCC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)[nH]c2c1 ZINC000033143634 525678883 /nfs/dbraw/zinc/67/88/83/525678883.db2.gz BIZBWWGTKSLAMT-INIZCTEOSA-N 0 1 465.579 4.033 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000009242837 526270751 /nfs/dbraw/zinc/27/07/51/526270751.db2.gz QXQLLXSHOACXKO-GOSISDBHSA-N 0 1 499.342 4.460 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000009223170 526271985 /nfs/dbraw/zinc/27/19/85/526271985.db2.gz LQWWIJOJLPEZFS-SFHVURJKSA-N 0 1 499.342 4.460 50 30 JIEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)nc1C ZINC000102593189 534959796 /nfs/dbraw/zinc/95/97/96/534959796.db2.gz UTVJPYQIOHJWQX-YDJIHCHBSA-N 0 1 494.500 4.191 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102601334 536540191 /nfs/dbraw/zinc/54/01/91/536540191.db2.gz SUEUJNKHZZLZEL-SBXHHDGASA-N 0 1 483.561 4.197 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000102882190 536565428 /nfs/dbraw/zinc/56/54/28/536565428.db2.gz VGXUZDIGZIKULA-YDJIHCHBSA-N 0 1 463.361 4.294 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000102882187 536566045 /nfs/dbraw/zinc/56/60/45/536566045.db2.gz VGXUZDIGZIKULA-NHFXJNLRSA-N 0 1 463.361 4.294 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccncc1 ZINC000102715783 536855179 /nfs/dbraw/zinc/85/51/79/536855179.db2.gz AKWCZSMAWCIFFU-SBXHHDGASA-N 0 1 458.514 4.037 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)nc1C ZINC000001152937 553917550 /nfs/dbraw/zinc/91/75/50/553917550.db2.gz SWMLKQUIDDCSBG-GOSISDBHSA-N 0 1 466.490 4.469 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000001481173 553977374 /nfs/dbraw/zinc/97/73/74/553977374.db2.gz VCODQJJJDRLCLA-LJQANCHMSA-N 0 1 494.525 4.038 50 30 JIEAMN COc1cc(C=Nn2c(C(F)(F)Cl)n[nH]c2=S)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000002791998 554347443 /nfs/dbraw/zinc/34/74/43/554347443.db2.gz HKNOQYDLDNZSHY-LSFURLLWSA-N 0 1 469.857 4.233 50 30 JIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(F)c1 ZINC000008816727 554698725 /nfs/dbraw/zinc/69/87/25/554698725.db2.gz SREHGYOHCXZQJB-HXUWFJFHSA-N 0 1 484.325 4.453 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000008816714 554698803 /nfs/dbraw/zinc/69/88/03/554698803.db2.gz QNVBEJMESCEMAY-IBGZPJMESA-N 0 1 480.502 4.325 50 30 JIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008817767 554700823 /nfs/dbraw/zinc/70/08/23/554700823.db2.gz BYTFEIHHWZQLEG-RUZDIDTESA-N 0 1 478.589 4.083 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008858518 554755582 /nfs/dbraw/zinc/75/55/82/554755582.db2.gz PFCZFCWFCJTYHO-XMMPIXPASA-N 0 1 499.007 4.429 50 30 JIEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008861977 554759377 /nfs/dbraw/zinc/75/93/77/554759377.db2.gz HRZUVCSFCKOBHI-OAQYLSRUSA-N 0 1 458.426 4.299 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000008894875 554784464 /nfs/dbraw/zinc/78/44/64/554784464.db2.gz BSKGBQOPRFSULS-JOCHJYFZSA-N 0 1 474.469 4.117 50 30 JIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000008918876 554815821 /nfs/dbraw/zinc/81/58/21/554815821.db2.gz LNHSETNDKPFZIU-QHCPKHFHSA-N 0 1 454.542 4.309 50 30 JIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Br)cc1 ZINC000020150186 555666392 /nfs/dbraw/zinc/66/63/92/555666392.db2.gz UVPLNGFZTMLTFR-FQEVSTJZSA-N 0 1 469.335 4.335 50 30 JIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000020228909 555719496 /nfs/dbraw/zinc/71/94/96/555719496.db2.gz XGCZYZZRVAMNJF-JOCHJYFZSA-N 0 1 472.969 4.277 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020231566 555721305 /nfs/dbraw/zinc/72/13/05/555721305.db2.gz GSXSBBYDDXTOQP-QHCPKHFHSA-N 0 1 452.551 4.014 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020310549 555769128 /nfs/dbraw/zinc/76/91/28/555769128.db2.gz FAVHNSUDQCHTSU-DEOSSOPVSA-N 0 1 466.578 4.410 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081379 556120313 /nfs/dbraw/zinc/12/03/13/556120313.db2.gz HBBIEDYWTFEXDZ-QFIPXVFZSA-N 0 1 499.405 4.462 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081379 556120316 /nfs/dbraw/zinc/12/03/16/556120316.db2.gz HBBIEDYWTFEXDZ-QFIPXVFZSA-N 0 1 499.405 4.462 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000016734476 556155946 /nfs/dbraw/zinc/15/59/46/556155946.db2.gz SUSTZAUJDSLZAT-HSZRJFAPSA-N 0 1 451.519 4.265 50 30 JIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)C(=O)C(=O)N1Cc1ccncc1 ZINC000016750527 556157237 /nfs/dbraw/zinc/15/72/37/556157237.db2.gz VFZPAWDUOPCYNS-VOIUYBSRSA-N 0 1 456.498 4.192 50 30 JIEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccncc1 ZINC000017138339 556224479 /nfs/dbraw/zinc/22/44/79/556224479.db2.gz LYVKLQHOKAEWGG-RUZDIDTESA-N 0 1 471.557 4.109 50 30 JIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000018087945 556285976 /nfs/dbraw/zinc/28/59/76/556285976.db2.gz JXAFLRQUEUHKRQ-DEOSSOPVSA-N 0 1 466.553 4.250 50 30 JIEAMN C#CCOc1ccc([C@H](CC(=O)OC)c2c3oc(-c4ccccc4)cc(O)c-3c(O)c(O)c2=O)cc1 ZINC000096222805 569739855 /nfs/dbraw/zinc/73/98/55/569739855.db2.gz LPTMFBQHYZMNMQ-IBGZPJMESA-N 0 1 486.476 4.284 50 30 biogenic JIEAMN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036316338 569762500 /nfs/dbraw/zinc/76/25/00/569762500.db2.gz CELACIBEOQQFAZ-DEOSSOPVSA-N 0 1 459.590 4.450 50 30 JIEAMN C#CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346391 569769749 /nfs/dbraw/zinc/76/97/49/569769749.db2.gz NBDOWWNGHAFNJW-HSZRJFAPSA-N 0 1 451.542 4.335 50 30 JIEAMN CCOc1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3C(=O)OC)C(=O)c3ccccc32)cc1 ZINC000100822265 569771497 /nfs/dbraw/zinc/77/14/97/569771497.db2.gz LATLPBMGYZGDFP-NFFVHWSESA-N 0 1 490.537 4.242 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000101062645 569780925 /nfs/dbraw/zinc/78/09/25/569780925.db2.gz ZLSYYNNEFYWWKO-UYTDBDHRSA-N 0 1 486.303 4.440 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101287011 569789265 /nfs/dbraw/zinc/78/92/65/569789265.db2.gz VJPGPHNUGLSALN-AYWGPLOBSA-N 0 1 471.469 4.177 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000101287810 569789666 /nfs/dbraw/zinc/78/96/66/569789666.db2.gz LLIOAXWWSJNDGW-SBXHHDGASA-N 0 1 496.991 4.049 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101287878 569789710 /nfs/dbraw/zinc/78/97/10/569789710.db2.gz ZPCQBXDRMGDCMD-MRJHHRETSA-N 0 1 461.430 4.082 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101287873 569789744 /nfs/dbraw/zinc/78/97/44/569789744.db2.gz ZPCQBXDRMGDCMD-JBCNATCCSA-N 0 1 461.430 4.082 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102169894 569810504 /nfs/dbraw/zinc/81/05/04/569810504.db2.gz SWXSAXJLOBHEGK-NPJIAGGLSA-N 0 1 496.579 4.005 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000102856855 569824598 /nfs/dbraw/zinc/82/45/98/569824598.db2.gz NHGBACXIJROVDP-NHFXJNLRSA-N 0 1 474.351 4.224 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000102864096 569825405 /nfs/dbraw/zinc/82/54/05/569825405.db2.gz MFFOQBQLRGMNMV-NHFXJNLRSA-N 0 1 463.361 4.294 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102929293 569827708 /nfs/dbraw/zinc/82/77/08/569827708.db2.gz IVSUTLWKMQLVSH-MRJHHRETSA-N 0 1 469.900 4.196 50 30 JIEAMN C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000105002856 569849294 /nfs/dbraw/zinc/84/92/94/569849294.db2.gz HGBNFYNDSCZVID-GVUKDKGQSA-N 0 1 498.689 4.369 50 30 JIEAMN C=CCOC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036308887 128382703 /nfs/dbraw/zinc/38/27/03/128382703.db2.gz ZWZBTBGRLWSRPY-RDGATRHJSA-N 0 1 486.678 4.262 50 30 JIEAMN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000096279688 130024174 /nfs/dbraw/zinc/02/41/74/130024174.db2.gz PKCUYSMZECYVQR-ZSEKCTLFSA-N 0 1 484.530 4.295 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102368991 130123171 /nfs/dbraw/zinc/12/31/71/130123171.db2.gz SGBGKKVQVKTXNR-LFVOPCPISA-N 0 1 480.502 4.168 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102494023 130148722 /nfs/dbraw/zinc/14/87/22/130148722.db2.gz PPCFAOJDYLRJCW-MOBKVPTQSA-N 0 1 468.506 4.150 50 30 JIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000102538676 130193544 /nfs/dbraw/zinc/19/35/44/130193544.db2.gz NBNYYMRBGMTPGD-MRJHHRETSA-N 0 1 451.910 4.057 50 30 JIEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102554901 130205432 /nfs/dbraw/zinc/20/54/32/130205432.db2.gz HHWMWPPBQUPDAA-CJJGVWJISA-N 0 1 484.552 4.188 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000102658842 130233862 /nfs/dbraw/zinc/23/38/62/130233862.db2.gz RZINGSRDMVOGCV-GHNGSUTGSA-N 0 1 454.891 4.194 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000102717340 130263663 /nfs/dbraw/zinc/26/36/63/130263663.db2.gz WGXXJEDJRYKHMI-YDJIHCHBSA-N 0 1 499.317 4.389 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102797627 130306490 /nfs/dbraw/zinc/30/64/90/130306490.db2.gz NUYDTLYMEDBUAY-SBXHHDGASA-N 0 1 474.513 4.119 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102799244 130307487 /nfs/dbraw/zinc/30/74/87/130307487.db2.gz BKEBQMLOEUAVJD-WOOAAIBNSA-N 0 1 496.516 4.321 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102805106 130312208 /nfs/dbraw/zinc/31/22/08/130312208.db2.gz CAKDRWWWUWBXCF-LFVOPCPISA-N 0 1 469.291 4.380 50 30 JIEAMN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000102897091 130379410 /nfs/dbraw/zinc/37/94/10/130379410.db2.gz AGLBSQAZBLLMEH-ONQGDUAMSA-N 0 1 498.579 4.020 50 30 JIEAMN C=CCN1c2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2OCC(C)(C)C1=O ZINC000009167209 518875979 /nfs/dbraw/zinc/87/59/79/518875979.db2.gz ZRRNLVFDUDEMFK-UHFFFAOYSA-N 0 1 450.944 4.087 50 30 JIEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000036308316 518987185 /nfs/dbraw/zinc/98/71/85/518987185.db2.gz ZLSSPCGUIVBIJM-UKILVPOCSA-N 0 1 477.605 4.424 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009177811 519021389 /nfs/dbraw/zinc/02/13/89/519021389.db2.gz WQKIGPQUJIEKOE-HSZRJFAPSA-N 0 1 461.493 4.256 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000022275886 519021471 /nfs/dbraw/zinc/02/14/71/519021471.db2.gz SKPHQOGXHBBQML-QFIPXVFZSA-N 0 1 499.405 4.462 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000022275886 519021475 /nfs/dbraw/zinc/02/14/75/519021475.db2.gz SKPHQOGXHBBQML-QFIPXVFZSA-N 0 1 499.405 4.462 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC ZINC000009357308 519042995 /nfs/dbraw/zinc/04/29/95/519042995.db2.gz DHRTWNFSPLLZCT-CRICUBBOSA-N 0 1 493.556 4.198 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000016700813 519043380 /nfs/dbraw/zinc/04/33/80/519043380.db2.gz XHSFVCZFHAKPKD-HSZRJFAPSA-N 0 1 451.519 4.265 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC ZINC000009436213 519043808 /nfs/dbraw/zinc/04/38/08/519043808.db2.gz DHRTWNFSPLLZCT-SSOJOUAXSA-N 0 1 493.556 4.198 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000016700815 519047075 /nfs/dbraw/zinc/04/70/75/519047075.db2.gz XHSFVCZFHAKPKD-QHCPKHFHSA-N 0 1 451.519 4.265 50 30 JIEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009302104 519049939 /nfs/dbraw/zinc/04/99/39/519049939.db2.gz CUWNSJSFRIMVKF-IUKMQXEJSA-N 0 1 488.584 4.484 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012382755 519778572 /nfs/dbraw/zinc/77/85/72/519778572.db2.gz DKNGDGRTUYBKMW-QHCPKHFHSA-N 0 1 484.980 4.038 50 30 JIEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1 ZINC000009477989 520092108 /nfs/dbraw/zinc/09/21/08/520092108.db2.gz KNUZGTDTPSJXNG-QFIPXVFZSA-N 0 1 456.594 4.260 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000009993810 520325136 /nfs/dbraw/zinc/32/51/36/520325136.db2.gz QFCACHIPVCMNOD-AREMUKBSSA-N 0 1 492.616 4.393 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccco2)cc1 ZINC000009302105 520331006 /nfs/dbraw/zinc/33/10/06/520331006.db2.gz BPUQCDUNUUGUDN-SFHVURJKSA-N 0 1 482.514 4.403 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000009354132 520466401 /nfs/dbraw/zinc/46/64/01/520466401.db2.gz QBOSTIDQGYKOSS-QMHKHESXSA-N 0 1 451.519 4.024 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000009110968 520774188 /nfs/dbraw/zinc/77/41/88/520774188.db2.gz MELYAHRKFDEKIY-OAQYLSRUSA-N 0 1 464.430 4.071 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009471245 520774328 /nfs/dbraw/zinc/77/43/28/520774328.db2.gz GOXRRMAMRPIUHV-RUZDIDTESA-N 0 1 487.508 4.341 50 30 JIEAMN CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc([N+](=O)[O-])c1O ZINC000016447565 520776799 /nfs/dbraw/zinc/77/67/99/520776799.db2.gz AANALTRGOOHFCW-AEFFLSMTSA-N 0 1 450.491 4.266 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000009176644 520858834 /nfs/dbraw/zinc/85/88/34/520858834.db2.gz NOILVLBYOWMHAR-QHCPKHFHSA-N 0 1 481.549 4.222 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2cccc(Br)c2)cc1 ZINC000016700823 520876028 /nfs/dbraw/zinc/87/60/28/520876028.db2.gz TWFJFGJZGSCHOX-HXUWFJFHSA-N 0 1 474.351 4.463 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000009123483 521235641 /nfs/dbraw/zinc/23/56/41/521235641.db2.gz JRASCPMAWGGAIP-XMMPIXPASA-N 0 1 475.545 4.267 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016741342 521266204 /nfs/dbraw/zinc/26/62/04/521266204.db2.gz RZBZVPZCCBXMFW-DEOSSOPVSA-N 0 1 474.513 4.276 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccnc2)nc1C ZINC000009175732 521611845 /nfs/dbraw/zinc/61/18/45/521611845.db2.gz HMPCCSGNXPIVOO-LJQANCHMSA-N 0 1 493.541 4.123 50 30 JIEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009124660 522162732 /nfs/dbraw/zinc/16/27/32/522162732.db2.gz RBAKUQOKKHKIOS-RNODOKPDSA-N 0 1 476.510 4.036 50 30 JIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009008737 522171257 /nfs/dbraw/zinc/17/12/57/522171257.db2.gz HFELRGUMIHQUMH-DEOSSOPVSA-N 0 1 486.524 4.434 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009282192 523277556 /nfs/dbraw/zinc/27/75/56/523277556.db2.gz BVOFXLJBRWCHKJ-HSZRJFAPSA-N 0 1 469.534 4.106 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009122142 523556450 /nfs/dbraw/zinc/55/64/50/523556450.db2.gz FVEQZAIADCHIGG-HXUWFJFHSA-N 0 1 463.361 4.450 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009122142 523556460 /nfs/dbraw/zinc/55/64/60/523556460.db2.gz FVEQZAIADCHIGG-HXUWFJFHSA-N 0 1 463.361 4.450 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000009045307 523571575 /nfs/dbraw/zinc/57/15/75/523571575.db2.gz UJBRJLPWHNZZJM-SFHVURJKSA-N 0 1 466.291 4.031 50 30 JIEAMN Cc1cccc(O)c1/N=C/c1cc(I)cc(I)c1O ZINC000015133684 524703600 /nfs/dbraw/zinc/70/36/00/524703600.db2.gz QIWJFBKZCGAAEV-REZTVBANSA-N 0 1 479.055 4.366 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009459142 525221007 /nfs/dbraw/zinc/22/10/07/525221007.db2.gz BAVOZLGLUXMJHP-RUZDIDTESA-N 0 1 487.508 4.254 50 30 JIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000009008463 526198915 /nfs/dbraw/zinc/19/89/15/526198915.db2.gz VPXNJRIDBJKBLQ-HSZRJFAPSA-N 0 1 481.549 4.078 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(Cl)cc2)s1 ZINC000009459184 526354861 /nfs/dbraw/zinc/35/48/61/526354861.db2.gz RSHYBJPLHZCPNP-GOSISDBHSA-N 0 1 469.906 4.054 50 30 JIEAMN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009008260 527092324 /nfs/dbraw/zinc/09/23/24/527092324.db2.gz VPSNRUMRBUKVMR-QHCPKHFHSA-N 0 1 474.605 4.389 50 30 JIEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009008260 527092330 /nfs/dbraw/zinc/09/23/30/527092330.db2.gz VPSNRUMRBUKVMR-QHCPKHFHSA-N 0 1 474.605 4.389 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102713212 534967815 /nfs/dbraw/zinc/96/78/15/534967815.db2.gz BGBNOIAQNRPSSS-JBCNATCCSA-N 0 1 487.394 4.220 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102368985 534968715 /nfs/dbraw/zinc/96/87/15/534968715.db2.gz ZYEQYIXXOIKOTK-MOBKVPTQSA-N 0 1 459.458 4.403 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC ZINC000102644686 535284952 /nfs/dbraw/zinc/28/49/52/535284952.db2.gz YQRFPZVZANRWGY-IIHDFJPDSA-N 0 1 495.572 4.266 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccnc2)nc1C ZINC000000702674 553761302 /nfs/dbraw/zinc/76/13/02/553761302.db2.gz KKYRIENAFXQNJP-GOSISDBHSA-N 0 1 481.505 4.254 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000001154322 553917909 /nfs/dbraw/zinc/91/79/09/553917909.db2.gz SYVKRQRFSQEVFW-QFIPXVFZSA-N 0 1 459.458 4.085 50 30 JIEAMN C=CCN1CC[C@@]23c4c5c(OC(=O)CCCCCCCC)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5 ZINC000001757905 553986164 /nfs/dbraw/zinc/98/61/64/553986164.db2.gz YWZDAAWBEIZRMC-CSZVXOJQSA-N 0 1 467.606 4.252 50 30 biogenic JIEAMN N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000002333647 554152838 /nfs/dbraw/zinc/15/28/38/554152838.db2.gz BTUIUUQVFPIYQT-QFIPXVFZSA-N 0 1 472.568 4.152 50 30 aggregator JIEAMN Oc1c(Br)cc(Br)cc1C=NN1C(=S)N=NC1c1ccc(F)cc1 ZINC000002381219 554175573 /nfs/dbraw/zinc/17/55/73/554175573.db2.gz DRCOJHGLZFTRKJ-FBCYGCLPSA-N 0 1 472.137 4.486 50 30 JIEAMN CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2cccc(C)c2C)CC1 ZINC000002386461 554177888 /nfs/dbraw/zinc/17/78/88/554177888.db2.gz ASENRQBEBFNJSW-NRFANRHFSA-N 0 1 456.594 4.097 50 30 JIEAMN N#CC(c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000002393633 554180810 /nfs/dbraw/zinc/18/08/10/554180810.db2.gz WBGRSFPQJDCVQY-DEOSSOPVSA-N 0 1 487.560 4.134 50 30 JIEAMN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000002885153 554406021 /nfs/dbraw/zinc/40/60/21/554406021.db2.gz KTNLHXBJXJVWQQ-UHFFFAOYSA-N 0 1 469.950 4.309 50 30 JIEAMN CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2CCOC)cc1OC ZINC000006355379 554532530 /nfs/dbraw/zinc/53/25/30/554532530.db2.gz RFGGECNMUMAUPX-QHCPKHFHSA-N 0 1 469.534 4.107 50 30 JIEAMN O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000008424473 554579466 /nfs/dbraw/zinc/57/94/66/554579466.db2.gz MNFPNXWAZVNAEE-KRWDZBQOSA-N 0 1 495.167 4.172 50 30 JIEAMN COc1cc(/C=N/N=C2\NC(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S2)ccc1O ZINC000008763711 554664241 /nfs/dbraw/zinc/66/42/41/554664241.db2.gz KCLTWTMZJQLDRZ-KAOZPYIUSA-N 0 1 457.861 4.237 50 30 JIEAMN CCOC(=O)C1C(CSc2nc(C)cc(C)c2C#N)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815946 554697667 /nfs/dbraw/zinc/69/76/67/554697667.db2.gz JMRSZPLPQNVSJD-NRFANRHFSA-N 0 1 450.564 4.150 50 30 JIEAMN CCOc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2CCCCC2)cc1OCC ZINC000008836097 554735883 /nfs/dbraw/zinc/73/58/83/554735883.db2.gz KJRRYWNTANSNDN-OAQYLSRUSA-N 0 1 487.604 4.384 50 30 JIEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1OC ZINC000008845543 554743081 /nfs/dbraw/zinc/74/30/81/554743081.db2.gz WKNMJEZUUFXUSO-RUZDIDTESA-N 0 1 463.534 4.328 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008857968 554754543 /nfs/dbraw/zinc/75/45/43/554754543.db2.gz RQFCOLGDUOOULA-XMMPIXPASA-N 0 1 456.498 4.434 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008896057 554785597 /nfs/dbraw/zinc/78/55/97/554785597.db2.gz MZIMHMJZZAGSLF-OAQYLSRUSA-N 0 1 463.446 4.463 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c(C)c1 ZINC000008926666 554823784 /nfs/dbraw/zinc/82/37/84/554823784.db2.gz KBYQEHOYVQLREZ-RUZDIDTESA-N 0 1 478.589 4.084 50 30 JIEAMN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)NCCc1cnc[nH]1 ZINC000008964589 554838523 /nfs/dbraw/zinc/83/85/23/554838523.db2.gz BITOEWRUVLILIH-FTIQDDARSA-N 0 1 481.637 4.292 50 30 biogenic JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000008984660 554848364 /nfs/dbraw/zinc/84/83/64/554848364.db2.gz FAQZTVJKEDQSKO-IBGZPJMESA-N 0 1 496.516 4.477 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008985860 554849056 /nfs/dbraw/zinc/84/90/56/554849056.db2.gz FOYWPXFTBRFION-SBXHHDGASA-N 0 1 499.007 4.226 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008988144 554850554 /nfs/dbraw/zinc/85/05/54/554850554.db2.gz SCUBYJMOQGSQEN-QGZVFWFLSA-N 0 1 468.487 4.013 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009324554 555096985 /nfs/dbraw/zinc/09/69/85/555096985.db2.gz RJZVKKSSCWIACT-OAQYLSRUSA-N 0 1 476.510 4.262 50 30 JIEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000013571413 555510033 /nfs/dbraw/zinc/51/00/33/555510033.db2.gz RVPJZOQAMUDKDZ-FQEVSTJZSA-N 0 1 454.866 4.437 50 30 JIEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C(C)C)s2)c1 ZINC000013729020 555602256 /nfs/dbraw/zinc/60/22/56/555602256.db2.gz QRFWRWXTOPWCSI-QGZVFWFLSA-N 0 1 455.492 4.055 50 30 JIEAMN Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020193011 555693961 /nfs/dbraw/zinc/69/39/61/555693961.db2.gz LPHVEALHPLCLEC-HXUWFJFHSA-N 0 1 492.557 4.167 50 30 JIEAMN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023451090 556065621 /nfs/dbraw/zinc/06/56/21/556065621.db2.gz QGEBVXDCWDGJSN-UHFFFAOYSA-N 0 1 490.633 4.003 50 30 JIEAMN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCOc2cccc(OC)c2)CC1 ZINC000019682018 556359746 /nfs/dbraw/zinc/35/97/46/556359746.db2.gz UYKXGDYHYNJVNB-UHFFFAOYSA-N 0 1 469.589 4.440 50 30 JIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1 ZINC000006499123 562937398 /nfs/dbraw/zinc/93/73/98/562937398.db2.gz JBRQHRGHLMMFNY-IBGZPJMESA-N 0 1 450.292 4.018 50 30 JIEAMN NC1=C(c2nc3ccccc3s2)C(=O)CN1CCN(CCc1ccccc1)Cc1ccco1 ZINC000064838210 569637128 /nfs/dbraw/zinc/63/71/28/569637128.db2.gz BGHYFYLBHDCRPP-UHFFFAOYSA-N 0 1 458.587 4.146 50 30 JIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000095006834 569721414 /nfs/dbraw/zinc/72/14/14/569721414.db2.gz KBAJBUPJXHWFPF-QFIPXVFZSA-N 0 1 481.936 4.222 50 30 JIEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000095892005 569729439 /nfs/dbraw/zinc/72/94/39/569729439.db2.gz KUKIQGAOOWNMQW-QFIPXVFZSA-N 0 1 475.936 4.161 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000096101669 569732776 /nfs/dbraw/zinc/73/27/76/569732776.db2.gz NSIDLOVOSFPURQ-XMMPIXPASA-N 0 1 473.529 4.125 50 30 JIEAMN CC/N=C1\S/C(=C/c2cc(Br)c(O)c(I)c2)C(=O)N1CC ZINC000100249010 569756206 /nfs/dbraw/zinc/75/62/06/569756206.db2.gz UHNOEAWYEDYUCB-LNUOCBTKSA-N 0 1 481.153 4.071 50 30 JIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000100496632 569762473 /nfs/dbraw/zinc/76/24/73/569762473.db2.gz WIFAQXPXHYQJTJ-JBCNATCCSA-N 0 1 451.862 4.326 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000101069989 569781142 /nfs/dbraw/zinc/78/11/42/569781142.db2.gz QCFSUDASMXLXEX-MRPLLJTBSA-N 0 1 462.350 4.297 50 30 JIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Br)c1 ZINC000101101175 569782808 /nfs/dbraw/zinc/78/28/08/569782808.db2.gz AKYDMAGRBMINGI-NHFXJNLRSA-N 0 1 466.335 4.158 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000101287152 569789273 /nfs/dbraw/zinc/78/92/73/569789273.db2.gz VKURHTPKMPRWQT-IUKMQXEJSA-N 0 1 486.524 4.286 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000101287704 569789433 /nfs/dbraw/zinc/78/94/33/569789433.db2.gz KAWZYNLALQUREL-IUKMQXEJSA-N 0 1 486.524 4.286 50 30 JIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)ccc1OCC(C)C ZINC000102175516 569810762 /nfs/dbraw/zinc/81/07/62/569810762.db2.gz OHKTZOBMTRLYRB-CJJGVWJISA-N 0 1 492.616 4.174 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000102864099 569825453 /nfs/dbraw/zinc/82/54/53/569825453.db2.gz MFFOQBQLRGMNMV-YDJIHCHBSA-N 0 1 463.361 4.294 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102928195 569827268 /nfs/dbraw/zinc/82/72/68/569827268.db2.gz JYKKIIZMCYLLQK-CZNAVJSXSA-N 0 1 492.616 4.353 50 30 JIEAMN COc1cccc(C[NH+]=C(Nc2cccc(C(=O)[O-])c2)N2CCN(C3CCCCC3)CC2)c1 ZINC000046022056 569842532 /nfs/dbraw/zinc/84/25/32/569842532.db2.gz CFYXZIUCZFHVOD-UHFFFAOYSA-N 0 1 450.583 4.121 50 30 JIEAMN C=CCC[C@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000169681546 569870775 /nfs/dbraw/zinc/87/07/75/569870775.db2.gz DRFBBWAGVGCLOR-DHLKQENFSA-N 0 1 486.678 4.227 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1OCC ZINC000009271435 124074009 /nfs/dbraw/zinc/07/40/09/124074009.db2.gz 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N#CC(c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000002393634 554180774 /nfs/dbraw/zinc/18/07/74/554180774.db2.gz WBGRSFPQJDCVQY-XMMPIXPASA-N 0 1 487.560 4.134 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000006143942 554509573 /nfs/dbraw/zinc/50/95/73/554509573.db2.gz XHGRDPOJZRJKMD-VWLOTQADSA-N 0 1 492.616 4.293 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008738371 554639818 /nfs/dbraw/zinc/63/98/18/554639818.db2.gz IDGZUNHKYWVKJL-OAQYLSRUSA-N 0 1 496.361 4.323 50 30 JIEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000008744065 554647164 /nfs/dbraw/zinc/64/71/64/554647164.db2.gz DHIKHFJYSBAXQG-JOCHJYFZSA-N 0 1 462.889 4.285 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccs2)cc1 ZINC000008779349 554676619 /nfs/dbraw/zinc/67/66/19/554676619.db2.gz OVHNGVIOPIGFMF-QGZVFWFLSA-N 0 1 484.555 4.481 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000008919249 554816037 /nfs/dbraw/zinc/81/60/37/554816037.db2.gz OUFXYRJXPFOPQU-HSZRJFAPSA-N 0 1 463.509 4.480 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000013571328 555509563 /nfs/dbraw/zinc/50/95/63/555509563.db2.gz MAHBKDFSTMGUEF-FQEVSTJZSA-N 0 1 484.892 4.445 50 30 JIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000020100988 555633793 /nfs/dbraw/zinc/63/37/93/555633793.db2.gz LVZFJBKENBAQAC-VWLOTQADSA-N 0 1 496.604 4.274 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000020233694 555724963 /nfs/dbraw/zinc/72/49/63/555724963.db2.gz QSAAZHMNUNYZKG-LJQANCHMSA-N 0 1 493.785 4.251 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000020233694 555724965 /nfs/dbraw/zinc/72/49/65/555724965.db2.gz QSAAZHMNUNYZKG-LJQANCHMSA-N 0 1 493.785 4.251 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020262772 555745147 /nfs/dbraw/zinc/74/51/47/555745147.db2.gz CNJAFNYKISMTNR-QHCPKHFHSA-N 0 1 452.551 4.014 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020262772 555745149 /nfs/dbraw/zinc/74/51/49/555745149.db2.gz CNJAFNYKISMTNR-QHCPKHFHSA-N 0 1 452.551 4.014 50 30 JIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020263372 555745832 /nfs/dbraw/zinc/74/58/32/555745832.db2.gz DBGDDMPFFXKORR-OAQYLSRUSA-N 0 1 487.394 4.378 50 30 JIEAMN Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020263931 555746250 /nfs/dbraw/zinc/74/62/50/555746250.db2.gz QHLLPLVIMRLNEX-RUZDIDTESA-N 0 1 490.556 4.186 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020310750 555769541 /nfs/dbraw/zinc/76/95/41/555769541.db2.gz ZNMABZLGLSVSAA-RUZDIDTESA-N 0 1 496.604 4.418 50 30 JIEAMN 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C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009334330 519041070 /nfs/dbraw/zinc/04/10/70/519041070.db2.gz NFZPWAICDALMFB-XMMPIXPASA-N 0 1 457.530 4.425 50 30 JIEAMN C=C[C@@](C)(O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036308722 519299454 /nfs/dbraw/zinc/29/94/54/519299454.db2.gz NPVMNYVBWRPOIC-AREMUKBSSA-N 0 1 451.567 4.367 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2cccc(Br)c2)cc1 ZINC000011914618 519762451 /nfs/dbraw/zinc/76/24/51/519762451.db2.gz HBNVYVWXEZEFAL-FQEVSTJZSA-N 0 1 474.351 4.055 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1C ZINC000009993811 520326585 /nfs/dbraw/zinc/32/65/85/520326585.db2.gz QFCACHIPVCMNOD-SANMLTNESA-N 0 1 492.616 4.393 50 30 JIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009019463 520784065 /nfs/dbraw/zinc/78/40/65/520784065.db2.gz ZSZLTQYGYVJJHR-DEOSSOPVSA-N 0 1 474.513 4.281 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000016741408 521239175 /nfs/dbraw/zinc/23/91/75/521239175.db2.gz GHUDHHSGEALMJQ-XMMPIXPASA-N 0 1 474.513 4.276 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016731062 521266834 /nfs/dbraw/zinc/26/68/34/521266834.db2.gz ZYHJHRYOBXOKIT-QHCPKHFHSA-N 0 1 462.477 4.407 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000015952844 521267990 /nfs/dbraw/zinc/26/79/90/521267990.db2.gz SEDIYFLCPNQLEM-SWDVRCMSSA-N 0 1 463.530 4.166 50 30 JIEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009454070 521424549 /nfs/dbraw/zinc/42/45/49/521424549.db2.gz OVJZYDHBNNXQTK-QHCPKHFHSA-N 0 1 461.470 4.228 50 30 JIEAMN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C#N)c1C ZINC000016393596 521612752 /nfs/dbraw/zinc/61/27/52/521612752.db2.gz KYCZXOXUIYCHND-UHFFFAOYSA-N 0 1 461.956 4.274 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccncc1 ZINC000009461091 523794456 /nfs/dbraw/zinc/79/44/56/523794456.db2.gz SKLDQKWIBCURAK-XMMPIXPASA-N 0 1 458.514 4.194 50 30 JIEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009291702 524052808 /nfs/dbraw/zinc/05/28/08/524052808.db2.gz PCXHCWDUOXISRW-BVZFJXPGSA-N 0 1 471.557 4.438 50 30 JIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009223180 524111293 /nfs/dbraw/zinc/11/12/93/524111293.db2.gz LLZJXFURUATJCE-UPCLLVRISA-N 0 1 456.498 4.192 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009424866 525389810 /nfs/dbraw/zinc/38/98/10/525389810.db2.gz NWNYKYVNFSDZCH-DEOSSOPVSA-N 0 1 457.482 4.245 50 30 JIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000009178080 525782634 /nfs/dbraw/zinc/78/26/34/525782634.db2.gz YIOAPAIHYVVHTP-OAQYLSRUSA-N 0 1 451.910 4.214 50 30 JIEAMN 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C=CCn1c(SCC2=NC(=O)N[C@H](c3cc(C)ccc3C)C2C(=O)OCC)nnc1-c1ccco1 ZINC000001422899 553969487 /nfs/dbraw/zinc/96/94/87/553969487.db2.gz GSPIHNQLZQPHTI-OAQYLSRUSA-N 0 1 493.589 4.304 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)nc1C ZINC000001481269 553977352 /nfs/dbraw/zinc/97/73/52/553977352.db2.gz HWVKQBHHIVCJPP-QGZVFWFLSA-N 0 1 470.453 4.299 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000006143966 554509595 /nfs/dbraw/zinc/50/95/95/554509595.db2.gz BHEZNCKIQWEGQF-XMMPIXPASA-N 0 1 473.529 4.125 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000006498892 554546984 /nfs/dbraw/zinc/54/69/84/554546984.db2.gz OKIJZRKGHJNEEZ-HSZRJFAPSA-N 0 1 469.534 4.193 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008739046 554640653 /nfs/dbraw/zinc/64/06/53/554640653.db2.gz RGCJPKIESZLPGN-QHCPKHFHSA-N 0 1 484.980 4.038 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008779206 554676232 /nfs/dbraw/zinc/67/62/32/554676232.db2.gz VDWFEIKQMTWKFS-XMMPIXPASA-N 0 1 499.007 4.428 50 30 JIEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000008834451 554732411 /nfs/dbraw/zinc/73/24/11/554732411.db2.gz HONDFYREOJCUPU-SFHLNBCPSA-N 0 1 487.604 4.095 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008837282 554737910 /nfs/dbraw/zinc/73/79/10/554737910.db2.gz WRAIIOPQRUOBOV-HXUWFJFHSA-N 0 1 465.849 4.435 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc3ccccc32)cc1 ZINC000008926640 554823745 /nfs/dbraw/zinc/82/37/45/554823745.db2.gz QGFNIANOARCYCT-AREMUKBSSA-N 0 1 486.568 4.149 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000008996663 554857513 /nfs/dbraw/zinc/85/75/13/554857513.db2.gz UNPFLTVBFDBGLC-HSZRJFAPSA-N 0 1 474.513 4.276 50 30 JIEAMN 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CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102894900 130377355 /nfs/dbraw/zinc/37/73/55/130377355.db2.gz AONQCKXSRAIHHS-SBXHHDGASA-N 0 1 466.578 4.103 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000009994037 519018965 /nfs/dbraw/zinc/01/89/65/519018965.db2.gz LSTCCBUQAMKWBD-AREMUKBSSA-N 0 1 490.600 4.169 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000009435335 519022443 /nfs/dbraw/zinc/02/24/43/519022443.db2.gz YADXVYQXJOOLLY-VWLOTQADSA-N 0 1 486.524 4.442 50 30 JIEAMN C=C[C@](C)(O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036308725 519303840 /nfs/dbraw/zinc/30/38/40/519303840.db2.gz NPVMNYVBWRPOIC-SANMLTNESA-N 0 1 451.567 4.367 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009244284 519762051 /nfs/dbraw/zinc/76/20/51/519762051.db2.gz XMFNRYHLMDUIHU-VWLOTQADSA-N 0 1 496.579 4.161 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009210737 519762207 /nfs/dbraw/zinc/76/22/07/519762207.db2.gz VYCSOSBAZNIFSL-XMMPIXPASA-N 0 1 499.007 4.285 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2cccc(Br)c2)cc1 ZINC000011914617 519762290 /nfs/dbraw/zinc/76/22/90/519762290.db2.gz HBNVYVWXEZEFAL-HXUWFJFHSA-N 0 1 474.351 4.055 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Br)cc2)cc1 ZINC000011914614 519762315 /nfs/dbraw/zinc/76/23/15/519762315.db2.gz HDKRKNITQPZAIF-FQEVSTJZSA-N 0 1 474.351 4.055 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000012382756 519778440 /nfs/dbraw/zinc/77/84/40/519778440.db2.gz RGCJPKIESZLPGN-HSZRJFAPSA-N 0 1 484.980 4.038 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009349993 520330523 /nfs/dbraw/zinc/33/05/23/520330523.db2.gz GSUKQNLLOIRJKW-XMMPIXPASA-N 0 1 474.513 4.363 50 30 JIEAMN 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C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)cc1 ZINC000020191008 555692033 /nfs/dbraw/zinc/69/20/33/555692033.db2.gz SDMDHESHSODIQL-NRFANRHFSA-N 0 1 485.378 4.154 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000020233698 555724977 /nfs/dbraw/zinc/72/49/77/555724977.db2.gz QSAAZHMNUNYZKG-IBGZPJMESA-N 0 1 493.785 4.251 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000020233698 555724979 /nfs/dbraw/zinc/72/49/79/555724979.db2.gz QSAAZHMNUNYZKG-IBGZPJMESA-N 0 1 493.785 4.251 50 30 JIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020264759 555746966 /nfs/dbraw/zinc/74/69/66/555746966.db2.gz DZWSLTZDYJIVAM-RUZDIDTESA-N 0 1 474.557 4.467 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020310746 555769547 /nfs/dbraw/zinc/76/95/47/555769547.db2.gz ZNMABZLGLSVSAA-VWLOTQADSA-N 0 1 496.604 4.418 50 30 JIEAMN 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[O-]c1c(Br)cc(Br)cc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019800603 556377880 /nfs/dbraw/zinc/37/78/80/556377880.db2.gz GDLYESHVJHYNEC-CIAFOILYSA-N 0 1 453.178 4.069 50 30 JIEAMN CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000055412884 569591938 /nfs/dbraw/zinc/59/19/38/569591938.db2.gz NBHYYZAJEUZGFA-IFMALSPDSA-N 0 1 457.578 4.148 50 30 JIEAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C#N)cc3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035977 569652901 /nfs/dbraw/zinc/65/29/01/569652901.db2.gz QQZNHIQDCZMOPD-UHFFFAOYSA-N 0 1 483.619 4.064 50 30 JIEAMN N#Cc1cc2c(cccc2OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000095628825 569728349 /nfs/dbraw/zinc/72/83/49/569728349.db2.gz BYBYHCOEAFHGJL-RUZDIDTESA-N 0 1 466.585 4.186 50 30 investigational JIEAMN Cc1c(/N=C/c2cc(Br)cc(Br)c2O)c(=O)n(-c2ccccc2)n1C ZINC000100164298 569754379 /nfs/dbraw/zinc/75/43/79/569754379.db2.gz ZZHMXGZTJFPJME-UFFVCSGVSA-N 0 1 465.145 4.466 50 30 JIEAMN 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C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101294022 569789827 /nfs/dbraw/zinc/78/98/27/569789827.db2.gz WTDISFSBTWBGFZ-AYWGPLOBSA-N 0 1 461.493 4.099 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000101313560 569792133 /nfs/dbraw/zinc/79/21/33/569792133.db2.gz OQPKSGAVLADKCH-NPJIAGGLSA-N 0 1 487.556 4.359 50 30 JIEAMN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102076678 569809417 /nfs/dbraw/zinc/80/94/17/569809417.db2.gz OQMIVSKGJCAITR-HUPAGYGUSA-N 0 1 492.616 4.418 50 30 JIEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1 ZINC000102169241 569810413 /nfs/dbraw/zinc/81/04/13/569810413.db2.gz TYMBTIAANABPGR-CJJGVWJISA-N 0 1 492.616 4.174 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102169889 569810629 /nfs/dbraw/zinc/81/06/29/569810629.db2.gz SWXSAXJLOBHEGK-IUKMQXEJSA-N 0 1 496.579 4.005 50 30 JIEAMN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102872080 569825919 /nfs/dbraw/zinc/82/59/19/569825919.db2.gz AQWWMWXXXLUFPR-HOGKFDNTSA-N 0 1 490.468 4.381 50 30 JIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000102929970 569827849 /nfs/dbraw/zinc/82/78/49/569827849.db2.gz YREQCYCAIOXYOY-JBCNATCCSA-N 0 1 496.361 4.166 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000103993156 569839777 /nfs/dbraw/zinc/83/97/77/569839777.db2.gz GKYHPGVQGAFTJM-AMKIGSDESA-N 0 1 485.536 4.389 50 30 JIEAMN C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21 ZINC000218033643 569882534 /nfs/dbraw/zinc/88/25/34/569882534.db2.gz SGQOEECGSUJWPV-MRXNPFEDSA-N 0 1 464.470 4.414 50 30 biogenic JIEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281444 570062331 /nfs/dbraw/zinc/06/23/31/570062331.db2.gz ZLSSPCGUIVBIJM-ILBGXUMGSA-N 0 1 477.605 4.424 50 30 JIEAMN Cc1c(N=Cc2cc(Cl)cc(I)c2O)c(=O)n(-c2ccccc2)n1C ZINC000252599752 570084936 /nfs/dbraw/zinc/08/49/36/570084936.db2.gz DLDIUYKNPPCEQN-UHFFFAOYSA-N 0 1 467.694 4.199 50 30 JIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000004196838 194383802 /nfs/dbraw/zinc/38/38/02/194383802.db2.gz GIAATGZXLXKWDD-QFIPXVFZSA-N 0 1 476.485 4.340 50 30 JIEAMN COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCc1cnc[nH]1 ZINC000012652049 195076577 /nfs/dbraw/zinc/07/65/77/195076577.db2.gz QUYNUFCCMOEDBD-NDEPHWFRSA-N 0 1 499.615 4.394 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OC)c2OC)c(C)c1 ZINC000102438598 130132062 /nfs/dbraw/zinc/13/20/62/130132062.db2.gz OGNBIQFFDQFXLB-AYWGPLOBSA-N 0 1 474.513 4.038 50 30 JIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000102594525 130219050 /nfs/dbraw/zinc/21/90/50/130219050.db2.gz DCJQGVCUCXDARS-LFVOPCPISA-N 0 1 499.317 4.394 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102705465 130251201 /nfs/dbraw/zinc/25/12/01/130251201.db2.gz PGIBIBUMXSXYOE-LFVOPCPISA-N 0 1 469.837 4.180 50 30 JIEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000102717934 130264153 /nfs/dbraw/zinc/26/41/53/130264153.db2.gz ODYSZAWBLJJJOP-CJJGVWJISA-N 0 1 486.568 4.263 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102727922 130272097 /nfs/dbraw/zinc/27/20/97/130272097.db2.gz XQZQPICSPMEFGX-WOOAAIBNSA-N 0 1 496.516 4.402 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102728577 130272942 /nfs/dbraw/zinc/27/29/42/130272942.db2.gz CXUYMSAWUBUBIR-MRJHHRETSA-N 0 1 495.557 4.277 50 30 JIEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102804139 130311810 /nfs/dbraw/zinc/31/18/10/130311810.db2.gz DAIHQVAUVNDOQR-HOGKFDNTSA-N 0 1 476.485 4.183 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102858059 130328268 /nfs/dbraw/zinc/32/82/68/130328268.db2.gz LMWHYHFRVPYRFP-AYWGPLOBSA-N 0 1 473.485 4.401 50 30 JIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102880879 130357487 /nfs/dbraw/zinc/35/74/87/130357487.db2.gz NDCGJCBBPNKPBG-SBXHHDGASA-N 0 1 475.545 4.193 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102881690 130358690 /nfs/dbraw/zinc/35/86/90/130358690.db2.gz MZGNTDBPBRWXSF-NHFXJNLRSA-N 0 1 466.515 4.185 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102888275 130369576 /nfs/dbraw/zinc/36/95/76/130369576.db2.gz KHDDOKAZRTZDTR-NPJIAGGLSA-N 0 1 471.509 4.131 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102897037 130379407 /nfs/dbraw/zinc/37/94/07/130379407.db2.gz GBJVIIRMRUUBIG-NPJIAGGLSA-N 0 1 486.524 4.264 50 30 JIEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302040 518303315 /nfs/dbraw/zinc/30/33/15/518303315.db2.gz DYZJBTRDKJOEME-QHCPKHFHSA-N 0 1 463.578 4.203 50 30 JIEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(C)C ZINC000036304127 518310466 /nfs/dbraw/zinc/31/04/66/518310466.db2.gz VYKDJNJXTGYZQP-JOCHJYFZSA-N 0 1 469.532 4.472 50 30 JIEAMN C/C(=N\N=C1\NC(=O)[C@@H](Cc2cccc(Cl)c2Cl)S1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000012195092 518461688 /nfs/dbraw/zinc/46/16/88/518461688.db2.gz DHTRCMXENYFBJK-IZKQXWRASA-N 0 1 462.358 4.281 50 30 JIEAMN C=CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)C ZINC000036309273 518981337 /nfs/dbraw/zinc/98/13/37/518981337.db2.gz CVNQYCLABCKLRO-REWPJTCUSA-N 0 1 493.069 4.180 50 30 JIEAMN C=CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F ZINC000036306721 518991729 /nfs/dbraw/zinc/99/17/29/518991729.db2.gz MPVXBJUNHHCWJK-OAQYLSRUSA-N 0 1 469.557 4.030 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009472373 519022745 /nfs/dbraw/zinc/02/27/45/519022745.db2.gz OZRYEMSRWXDGKU-XMMPIXPASA-N 0 1 472.497 4.139 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016733983 519023188 /nfs/dbraw/zinc/02/31/88/519023188.db2.gz BQVDKFBHAJZGQL-XMMPIXPASA-N 0 1 456.498 4.434 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009244247 519060602 /nfs/dbraw/zinc/06/06/02/519060602.db2.gz SJIPTFWSMAMNRZ-XMMPIXPASA-N 0 1 473.481 4.394 50 30 JIEAMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCCc1cnc[nH]1)[C@@H]2c1ccccc1 ZINC000009356381 520264541 /nfs/dbraw/zinc/26/45/41/520264541.db2.gz GEWSRJYOPMNDOY-HHHXNRCGSA-N 0 1 469.589 4.385 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000009993830 520325359 /nfs/dbraw/zinc/32/53/59/520325359.db2.gz DWHNCPCYDFOGGC-RUZDIDTESA-N 0 1 496.579 4.224 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000009994304 520325545 /nfs/dbraw/zinc/32/55/45/520325545.db2.gz BQIJBNGRFKMJLX-VWLOTQADSA-N 0 1 496.579 4.224 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009176851 520329398 /nfs/dbraw/zinc/32/93/98/520329398.db2.gz ITWCYXJIFRTWRL-OAQYLSRUSA-N 0 1 487.394 4.378 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009176851 520329406 /nfs/dbraw/zinc/32/94/06/520329406.db2.gz ITWCYXJIFRTWRL-OAQYLSRUSA-N 0 1 487.394 4.378 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC ZINC000009312717 520431835 /nfs/dbraw/zinc/43/18/35/520431835.db2.gz GMERRSOUJWYNHS-NSYGIPOTSA-N 0 1 495.572 4.422 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009292702 520471255 /nfs/dbraw/zinc/47/12/55/520471255.db2.gz XYUQXXKSMADYRP-VWLOTQADSA-N 0 1 486.524 4.420 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000009109361 520471301 /nfs/dbraw/zinc/47/13/01/520471301.db2.gz YWBDTIKTJHASFI-NRFANRHFSA-N 0 1 493.541 4.189 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009350005 520859184 /nfs/dbraw/zinc/85/91/84/520859184.db2.gz WOLBWZLKLPWNDF-QHCPKHFHSA-N 0 1 469.534 4.195 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(OC)cc2)cc1Cl ZINC000016742378 520876050 /nfs/dbraw/zinc/87/60/50/520876050.db2.gz VGNWECSSQNHFIS-OAQYLSRUSA-N 0 1 459.926 4.362 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009135706 520884572 /nfs/dbraw/zinc/88/45/72/520884572.db2.gz BHGVLCAWPCAJHP-SFHVURJKSA-N 0 1 451.460 4.233 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000009272986 521239362 /nfs/dbraw/zinc/23/93/62/521239362.db2.gz FCYARLWOKWHMON-HSZRJFAPSA-N 0 1 469.534 4.026 50 30 JIEAMN 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C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102506927 130161319 /nfs/dbraw/zinc/16/13/19/130161319.db2.gz STUCLNZQANABFV-VAGBDARLSA-N 0 1 463.530 4.033 50 30 JIEAMN CN(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102554912 130205394 /nfs/dbraw/zinc/20/53/94/130205394.db2.gz HHWMWPPBQUPDAA-CZNAVJSXSA-N 0 1 484.552 4.188 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102564116 130211307 /nfs/dbraw/zinc/21/13/07/130211307.db2.gz WABUPABAGCXXLJ-MOBKVPTQSA-N 0 1 460.442 4.373 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102601329 130220762 /nfs/dbraw/zinc/22/07/62/130220762.db2.gz SUEUJNKHZZLZEL-NXLSWJSLSA-N 0 1 483.561 4.197 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)s1 ZINC000102607204 130222508 /nfs/dbraw/zinc/22/25/08/130222508.db2.gz YIXHFXPXJFOVRU-LDQGIYSBSA-N 0 1 467.934 4.450 50 30 JIEAMN 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C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009292408 519059911 /nfs/dbraw/zinc/05/99/11/519059911.db2.gz XHHOJGWNHZFDBJ-RUZDIDTESA-N 0 1 484.508 4.196 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009313113 519060379 /nfs/dbraw/zinc/06/03/79/519060379.db2.gz MJWXKPWCJVMOCZ-MZNJEOGPSA-N 0 1 463.530 4.190 50 30 JIEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)cc1 ZINC000009011802 519720572 /nfs/dbraw/zinc/72/05/72/519720572.db2.gz TYDFOFGOROVGPJ-QFIPXVFZSA-N 0 1 475.432 4.475 50 30 JIEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020547088 520258656 /nfs/dbraw/zinc/25/86/56/520258656.db2.gz FNESQMSZAIBTGV-RUZDIDTESA-N 0 1 494.588 4.167 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000020441603 520431967 /nfs/dbraw/zinc/43/19/67/520431967.db2.gz DLKIFKYVIQSLSM-VWLOTQADSA-N 0 1 496.604 4.411 50 30 JIEAMN 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COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000008740813 554642956 /nfs/dbraw/zinc/64/29/56/554642956.db2.gz KSPVNYCBTMUVCF-LJQANCHMSA-N 0 1 469.837 4.336 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000008905111 554799233 /nfs/dbraw/zinc/79/92/33/554799233.db2.gz IATAPRNHFQIQQT-VWLOTQADSA-N 0 1 492.616 4.212 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000008926727 554824079 /nfs/dbraw/zinc/82/40/79/554824079.db2.gz GQGPDXDRNZRTFG-QHCPKHFHSA-N 0 1 453.535 4.350 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)o2)nc1C ZINC000008980877 554846820 /nfs/dbraw/zinc/84/68/20/554846820.db2.gz KQXLJAWUHRHAMQ-QGZVFWFLSA-N 0 1 452.488 4.313 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008996209 554856497 /nfs/dbraw/zinc/85/64/97/554856497.db2.gz CJWDFMWZBDEHDY-KRWDZBQOSA-N 0 1 452.463 4.160 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1C ZINC000013427154 555399937 /nfs/dbraw/zinc/39/99/37/555399937.db2.gz IKIURODIMQUIMJ-VWLOTQADSA-N 0 1 478.589 4.084 50 30 JIEAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc(C#N)cc3)ccc2Cl)cc1 ZINC000009631581 555460813 /nfs/dbraw/zinc/46/08/13/555460813.db2.gz ASTADVOYNDQYRM-UHFFFAOYSA-N 0 1 485.949 4.429 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000013535911 555488253 /nfs/dbraw/zinc/48/82/53/555488253.db2.gz HGLIMEMSQHMCBV-QHCPKHFHSA-N 0 1 450.579 4.441 50 30 JIEAMN Cc1ccc(C[NH+]2CCN(/N=C/c3cc(Br)cc(Br)c3[O-])CC2)cc1 ZINC000019849073 555510841 /nfs/dbraw/zinc/51/08/41/555510841.db2.gz ITDHDJYCNGMZGP-WSDLNYQXSA-N 0 1 467.205 4.377 50 30 JIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)ccc1OCc1ccccc1 ZINC000013595635 555528710 /nfs/dbraw/zinc/52/87/10/555528710.db2.gz WVUYCEKQFWXOJT-VWLOTQADSA-N 0 1 471.557 4.109 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)cc1Cl 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FLAYATLIAJZVNM-HSZRJFAPSA-N 0 1 463.509 4.480 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000101287063 569789361 /nfs/dbraw/zinc/78/93/61/569789361.db2.gz DZCJFLANGLRCPD-IUKMQXEJSA-N 0 1 486.524 4.286 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102928336 569827198 /nfs/dbraw/zinc/82/71/98/569827198.db2.gz CWVLMOUWUTUYPB-WOOAAIBNSA-N 0 1 450.318 4.460 50 30 JIEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000102928947 569827358 /nfs/dbraw/zinc/82/73/58/569827358.db2.gz BPOBECBDBALHPW-WBMUNJTESA-N 0 1 471.509 4.346 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)nc1C ZINC000102931090 569828214 /nfs/dbraw/zinc/82/82/14/569828214.db2.gz KTROLRMJGKJHCL-SELCWUDQSA-N 0 1 466.490 4.394 50 30 JIEAMN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)cc2C)C(=O)C(=O)N1Cc1cccnc1 ZINC000104197825 569842778 /nfs/dbraw/zinc/84/27/78/569842778.db2.gz RGEHZQZVZAZRCF-SBXHHDGASA-N 0 1 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C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000001133374 553914772 /nfs/dbraw/zinc/91/47/72/553914772.db2.gz LJZUDSFLAMVLKM-UHFFFAOYSA-N 0 1 475.328 4.449 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)nc1C ZINC000001155481 553918679 /nfs/dbraw/zinc/91/86/79/553918679.db2.gz PGSQFENQPNHADY-QGZVFWFLSA-N 0 1 452.463 4.160 50 30 JIEAMN Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000002730313 554314679 /nfs/dbraw/zinc/31/46/79/554314679.db2.gz MHCLHIWPNZKBTL-YDZHTSKRSA-N 0 1 454.486 4.477 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(Br)c1 ZINC000002845457 554375760 /nfs/dbraw/zinc/37/57/60/554375760.db2.gz POVADGJLXVODMO-IBGZPJMESA-N 0 1 486.318 4.429 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000008740814 554642859 /nfs/dbraw/zinc/64/28/59/554642859.db2.gz KSPVNYCBTMUVCF-IBGZPJMESA-N 0 1 469.837 4.336 50 30 JIEAMN O=c1c(Cc2ccccc2)c(O)c(/C=N/OCc2cccc(Cl)c2)cn1CCc1cnc[nH]1 ZINC000008782209 554679430 /nfs/dbraw/zinc/67/94/30/554679430.db2.gz UZACXGFGEQTYSZ-VFLNYLIXSA-N 0 1 462.937 4.315 50 30 JIEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(Cl)cc3)oc21 ZINC000008817931 554701237 /nfs/dbraw/zinc/70/12/37/554701237.db2.gz MYTXTRUXXPLHJZ-QFIPXVFZSA-N 0 1 496.947 4.005 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008836987 554737427 /nfs/dbraw/zinc/73/74/27/554737427.db2.gz ICYVWRCAIBSLHJ-NXLSWJSLSA-N 0 1 466.578 4.244 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008837177 554737857 /nfs/dbraw/zinc/73/78/57/554737857.db2.gz PBHZXAWXTJLZLE-HSZRJFAPSA-N 0 1 452.551 4.014 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008837177 554737859 /nfs/dbraw/zinc/73/78/59/554737859.db2.gz PBHZXAWXTJLZLE-HSZRJFAPSA-N 0 1 452.551 4.014 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nccs2)c1 ZINC000008845225 554741693 /nfs/dbraw/zinc/74/16/93/554741693.db2.gz USXDKRVORDCZNT-OAQYLSRUSA-N 0 1 478.526 4.486 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000008894877 554784418 /nfs/dbraw/zinc/78/44/18/554784418.db2.gz BSKGBQOPRFSULS-QFIPXVFZSA-N 0 1 474.469 4.117 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2cccs2)nc1C ZINC000008895393 554785147 /nfs/dbraw/zinc/78/51/47/554785147.db2.gz WLPZLYAIUZXBOU-INIZCTEOSA-N 0 1 470.528 4.091 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000008901844 554795497 /nfs/dbraw/zinc/79/54/97/554795497.db2.gz RSNGLJSFWQNXOY-QHCPKHFHSA-N 0 1 474.513 4.194 50 30 JIEAMN C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(Br)cc1 ZINC000009042074 554869275 /nfs/dbraw/zinc/86/92/75/554869275.db2.gz JGBBUXCVILTCGN-GFCCVEGCSA-N 0 1 455.337 4.190 50 30 JIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009192918 554966199 /nfs/dbraw/zinc/96/61/99/554966199.db2.gz JGKVOJLOPXEYRQ-NIYFSFCBSA-N 0 1 490.600 4.044 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009462969 555232482 /nfs/dbraw/zinc/23/24/82/555232482.db2.gz CQWGNHIIKWHVHA-OAQYLSRUSA-N 0 1 461.430 4.239 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009464671 555237383 /nfs/dbraw/zinc/23/73/83/555237383.db2.gz OQNZABAWRWRAML-RUZDIDTESA-N 0 1 484.508 4.196 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000013570440 555508901 /nfs/dbraw/zinc/50/89/01/555508901.db2.gz DKYCJTOTHOWYIB-NRFANRHFSA-N 0 1 452.438 4.312 50 30 JIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)ccc1OC(C)C ZINC000013751048 555609679 /nfs/dbraw/zinc/60/96/79/555609679.db2.gz ADTLVEFZAFQIOW-DEOSSOPVSA-N 0 1 499.007 4.346 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219462 555714374 /nfs/dbraw/zinc/71/43/74/555714374.db2.gz YGKWPUCXUJRSKL-XMMPIXPASA-N 0 1 466.578 4.401 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020219462 555714377 /nfs/dbraw/zinc/71/43/77/555714377.db2.gz YGKWPUCXUJRSKL-XMMPIXPASA-N 0 1 466.578 4.401 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020230357 555721126 /nfs/dbraw/zinc/72/11/26/555721126.db2.gz VJFSQNAPKASPRH-DEOSSOPVSA-N 0 1 496.991 4.205 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020267412 555748720 /nfs/dbraw/zinc/74/87/20/555748720.db2.gz HKZBVQNTBSJFHF-DEOSSOPVSA-N 0 1 466.578 4.403 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020310741 555769485 /nfs/dbraw/zinc/76/94/85/555769485.db2.gz WXLFZNDPBTUYDB-DEOSSOPVSA-N 0 1 466.578 4.410 50 30 JIEAMN N#CCCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)[nH]n3)cc2)CC1 ZINC000023425659 556053565 /nfs/dbraw/zinc/05/35/65/556053565.db2.gz BGWBFEQGDRMERT-UHFFFAOYSA-N 0 1 468.605 4.405 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000016247407 556130823 /nfs/dbraw/zinc/13/08/23/556130823.db2.gz OBOPVZXXQMVGMX-DEOSSOPVSA-N 0 1 476.529 4.007 50 30 JIEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCC)cc1 ZINC000027017018 556269113 /nfs/dbraw/zinc/26/91/13/556269113.db2.gz RIUCZSRTJOGCOK-DEOSSOPVSA-N 0 1 458.518 4.295 50 30 JIEAMN CC1=NN(c2ccccc2)C(=O)C1C(=NNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000018191893 556301263 /nfs/dbraw/zinc/30/12/63/556301263.db2.gz LLVSXCZZHHITNR-LVWGJNHUSA-N 0 1 466.950 4.271 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000013123300 556339352 /nfs/dbraw/zinc/33/93/52/556339352.db2.gz HDWLOUQIUSCUEJ-PSLXWICFSA-N 0 1 461.470 4.096 50 30 JIEAMN COc1ccc(NC2=C[C@@](C)(O)[C@@H](C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2C(C)=O)cc1 ZINC000008686041 562952673 /nfs/dbraw/zinc/95/26/73/562952673.db2.gz LNGCPQVDISZYLW-KKUQBAQOSA-N 0 1 453.535 4.111 50 30 JIEAMN CCOCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(OCC)cc1 ZINC000066091538 569677083 /nfs/dbraw/zinc/67/70/83/569677083.db2.gz DDMDCPQEKYXICA-HSZRJFAPSA-N 0 1 453.535 4.489 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000095532328 569725459 /nfs/dbraw/zinc/72/54/59/569725459.db2.gz BVFLEISCLFDYMQ-OAQYLSRUSA-N 0 1 496.361 4.323 50 30 JIEAMN COC(=O)C[C@H](c1ccc(C#N)cc1)c1c2oc(-c3ccccc3)cc(O)c-2c(O)c(O)c1=O ZINC000096222573 569739705 /nfs/dbraw/zinc/73/97/05/569739705.db2.gz UHKWZBTUHKEELJ-QGZVFWFLSA-N 0 1 457.438 4.143 50 30 biogenic JIEAMN Cc1ccc(N2C(=O)C(=CNc3ccc(Br)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000100200659 569755145 /nfs/dbraw/zinc/75/51/45/569755145.db2.gz PPCQNZXOXZMBAP-FCQRQVBFSA-N 0 1 450.745 4.177 50 30 JIEAMN COc1ccc(C(=O)C=CNc2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000100331588 569757600 /nfs/dbraw/zinc/75/76/00/569757600.db2.gz AYGQQTNDNRVHKO-BUHFOSPRSA-N 0 1 483.502 4.221 50 30 JIEAMN C=CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1 ZINC000036316000 569761870 /nfs/dbraw/zinc/76/18/70/569761870.db2.gz WVAQYPFNKXAUNU-QHCPKHFHSA-N 0 1 465.594 4.200 50 30 JIEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036342065 569765271 /nfs/dbraw/zinc/76/52/71/569765271.db2.gz OUEJOEFBHNOUFC-HSZRJFAPSA-N 0 1 451.542 4.333 50 30 JIEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342129 569765537 /nfs/dbraw/zinc/76/55/37/569765537.db2.gz DRUQTBZIWMESKX-XMMPIXPASA-N 0 1 463.553 4.335 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000101287574 569789449 /nfs/dbraw/zinc/78/94/49/569789449.db2.gz RSTUQPWIOIPVKN-SBXHHDGASA-N 0 1 464.562 4.022 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000101287574 569789450 /nfs/dbraw/zinc/78/94/50/569789450.db2.gz RSTUQPWIOIPVKN-SBXHHDGASA-N 0 1 464.562 4.022 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000101287576 569789486 /nfs/dbraw/zinc/78/94/86/569789486.db2.gz RSTUQPWIOIPVKN-NXLSWJSLSA-N 0 1 464.562 4.022 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000101287576 569789488 /nfs/dbraw/zinc/78/94/88/569789488.db2.gz RSTUQPWIOIPVKN-NXLSWJSLSA-N 0 1 464.562 4.022 50 30 JIEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)cc1 ZINC000101502800 569801001 /nfs/dbraw/zinc/80/10/01/569801001.db2.gz PTMLWDRYLIJHQL-MOBKVPTQSA-N 0 1 475.432 4.319 50 30 JIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)ccc1OCC(C)C ZINC000102175576 569810858 /nfs/dbraw/zinc/81/08/58/569810858.db2.gz DKIZLBWBNSUYSQ-NXLSWJSLSA-N 0 1 457.530 4.442 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000102864949 569825646 /nfs/dbraw/zinc/82/56/46/569825646.db2.gz GHYIXMTZMZHJQQ-MOBKVPTQSA-N 0 1 464.905 4.374 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000102928944 569827465 /nfs/dbraw/zinc/82/74/65/569827465.db2.gz BPOBECBDBALHPW-FSDXSRJSSA-N 0 1 471.509 4.346 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102931355 569828475 /nfs/dbraw/zinc/82/84/75/569828475.db2.gz MMYZBBKQCFSWLR-GHNGSUTGSA-N 0 1 493.497 4.163 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000104194055 569842762 /nfs/dbraw/zinc/84/27/62/569842762.db2.gz FQGDIQBCMSRCPN-HOGKFDNTSA-N 0 1 468.506 4.006 50 30 JIEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC3=CCCCC3)C1=O)O2 ZINC000253405976 570097022 /nfs/dbraw/zinc/09/70/22/570097022.db2.gz IPMWFGXPHWGIPW-DPYYHXFJSA-N 0 1 451.519 4.049 50 30 JIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000012615838 195054856 /nfs/dbraw/zinc/05/48/56/195054856.db2.gz KCFDZRBCUBDEGJ-VWLOTQADSA-N 0 1 496.579 4.079 50 30 JIEAMN CCc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000057878084 195360759 /nfs/dbraw/zinc/36/07/59/195360759.db2.gz IBZMYYKLGNDRSF-OAQYLSRUSA-N 0 1 451.479 4.241 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000096295640 130051194 /nfs/dbraw/zinc/05/11/94/130051194.db2.gz KGPRPIBMQGYMCE-XMMPIXPASA-N 0 1 475.545 4.349 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102368727 130122043 /nfs/dbraw/zinc/12/20/43/130122043.db2.gz ZXNAENJFIMGSEC-SBXHHDGASA-N 0 1 499.007 4.271 50 30 JIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102486330 130140114 /nfs/dbraw/zinc/14/01/14/130140114.db2.gz WGKHLERIZYYBMB-KZVIGXRYSA-N 0 1 477.948 4.372 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102500345 130154537 /nfs/dbraw/zinc/15/45/37/130154537.db2.gz ILHHIWOWBRBQMH-HVESIFNPSA-N 0 1 484.555 4.325 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102503901 130157823 /nfs/dbraw/zinc/15/78/23/130157823.db2.gz FBCAYTONXPSHQF-SBXHHDGASA-N 0 1 474.513 4.119 50 30 JIEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102507084 130161406 /nfs/dbraw/zinc/16/14/06/130161406.db2.gz SLVPPHDLRVGCNN-NXLSWJSLSA-N 0 1 474.513 4.038 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000102527098 130179566 /nfs/dbraw/zinc/17/95/66/130179566.db2.gz LMIPWCKIUOSPKE-SBXHHDGASA-N 0 1 474.513 4.038 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000102697364 130243524 /nfs/dbraw/zinc/24/35/24/130243524.db2.gz NMZOMZFBYKDBOJ-YDJIHCHBSA-N 0 1 454.866 4.280 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102716776 130262857 /nfs/dbraw/zinc/26/28/57/130262857.db2.gz AVXOUEBPSVEIFD-SELCWUDQSA-N 0 1 466.490 4.312 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102717095 130263275 /nfs/dbraw/zinc/26/32/75/130263275.db2.gz BNCAAOBMZXAZJL-HVESIFNPSA-N 0 1 484.555 4.325 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102801417 130310100 /nfs/dbraw/zinc/31/01/00/130310100.db2.gz LJVJAPXHUFXDFT-GHNGSUTGSA-N 0 1 493.497 4.163 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000102872129 130343545 /nfs/dbraw/zinc/34/35/45/130343545.db2.gz YWABCPCIKAKSQJ-NXLSWJSLSA-N 0 1 459.546 4.492 50 30 JIEAMN C=CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307464 518991541 /nfs/dbraw/zinc/99/15/41/518991541.db2.gz HVVLOJQOBKVBKT-JOCHJYFZSA-N 0 1 469.557 4.030 50 30 JIEAMN C=CCOc1ccc(/C=C/C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)cc1 ZINC000009378694 519012527 /nfs/dbraw/zinc/01/25/27/519012527.db2.gz HVFBSAUSKXMRQJ-IZZDOVSWSA-N 0 1 456.384 4.418 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(F)c2)cc1 ZINC000016733144 519020506 /nfs/dbraw/zinc/02/05/06/519020506.db2.gz VQOOHECOFXRQNW-QHCPKHFHSA-N 0 1 461.493 4.256 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000016737348 521266989 /nfs/dbraw/zinc/26/69/89/521266989.db2.gz XUNBZIFAOMUMFE-QHCPKHFHSA-N 0 1 463.486 4.474 50 30 JIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1cccs1 ZINC000020390073 521756339 /nfs/dbraw/zinc/75/63/39/521756339.db2.gz KASKFUWBFLTIPN-HSZRJFAPSA-N 0 1 462.571 4.467 50 30 JIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009456026 522171958 /nfs/dbraw/zinc/17/19/58/522171958.db2.gz CDVMNLSPJXJYHH-CMJOXMDJSA-N 0 1 473.481 4.168 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000009339581 522421027 /nfs/dbraw/zinc/42/10/27/522421027.db2.gz UBOYUSYZXXFCBU-KRWDZBQOSA-N 0 1 497.460 4.068 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)nc1C ZINC000009160380 522421706 /nfs/dbraw/zinc/42/17/06/522421706.db2.gz ABMMLXQHUMNZAL-LJQANCHMSA-N 0 1 493.541 4.203 50 30 JIEAMN COc1ccc(Br)cc1/C=N/N=C1/SC(C)C(=O)N1Cc1ccc(F)cc1 ZINC000009380063 523492968 /nfs/dbraw/zinc/49/29/68/523492968.db2.gz OKKNYVWPIKEERW-ZIRANCHGSA-N 0 1 450.333 4.451 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009362779 523563288 /nfs/dbraw/zinc/56/32/88/523563288.db2.gz AVHQGGVHJPELHE-ICSRJNTNSA-N 0 1 472.335 4.215 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000009065197 523563625 /nfs/dbraw/zinc/56/36/25/523563625.db2.gz YAVPUXWCUUTOOW-XMMPIXPASA-N 0 1 474.513 4.194 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H]1c1ccncc1 ZINC000009424861 523795459 /nfs/dbraw/zinc/79/54/59/523795459.db2.gz KJHUAQFWOCFDLI-DEOSSOPVSA-N 0 1 458.514 4.194 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@H]1c1ccncc1 ZINC000009424860 523795614 /nfs/dbraw/zinc/79/56/14/523795614.db2.gz KJHUAQFWOCFDLI-XMMPIXPASA-N 0 1 458.514 4.194 50 30 JIEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020441168 524052699 /nfs/dbraw/zinc/05/26/99/524052699.db2.gz JAMAGIFMRCKERB-SANMLTNESA-N 0 1 492.616 4.194 50 30 JIEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccco3)cc2)c1 ZINC000009373767 524445345 /nfs/dbraw/zinc/44/53/45/524445345.db2.gz PQHHOZAFFNHYJJ-DEOSSOPVSA-N 0 1 460.530 4.307 50 30 JIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000009008462 526198489 /nfs/dbraw/zinc/19/84/89/526198489.db2.gz VPXNJRIDBJKBLQ-QHCPKHFHSA-N 0 1 481.549 4.078 50 30 JIEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000009424852 526268431 /nfs/dbraw/zinc/26/84/31/526268431.db2.gz JUEXCJQUVBSBHS-JOCHJYFZSA-N 0 1 462.889 4.285 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000016806164 526354134 /nfs/dbraw/zinc/35/41/34/526354134.db2.gz XXHSIZSTHSCMNS-GOSISDBHSA-N 0 1 462.443 4.284 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(F)cc2)s1 ZINC000009363593 526355102 /nfs/dbraw/zinc/35/51/02/526355102.db2.gz FVRXOJMNQHVZHZ-NSPYISDASA-N 0 1 451.479 4.092 50 30 JIEAMN N#Cc1ccccc1CN1C(=O)NC(=Cc2c(Cc3cccs3)[nH]n(-c3ccccc3)c2=O)C1=O ZINC000016534190 526736008 /nfs/dbraw/zinc/73/60/08/526736008.db2.gz ZQHOKSJRNXUVOQ-UCQKPKSFSA-N 0 1 481.537 4.195 50 30 JIEAMN O=[N+]([O-])c1ccc(/N=C/c2cc(I)cc(I)c2O)cc1 ZINC000012428968 527345759 /nfs/dbraw/zinc/34/57/59/527345759.db2.gz MQPIEKIYEIBZKM-FRKPEAEDSA-N 0 1 494.026 4.260 50 30 JIEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c1 ZINC000102891512 535092865 /nfs/dbraw/zinc/09/28/65/535092865.db2.gz WJKBVKRUQIQBFD-IUKMQXEJSA-N 0 1 495.572 4.485 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102490158 535687617 /nfs/dbraw/zinc/68/76/17/535687617.db2.gz JBCZCCGXTYAHBX-SBXHHDGASA-N 0 1 474.513 4.125 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000102695945 536565677 /nfs/dbraw/zinc/56/56/77/536565677.db2.gz GXTADTJWOIRDSQ-AYWGPLOBSA-N 0 1 450.579 4.284 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)nc1C ZINC000001153133 553917388 /nfs/dbraw/zinc/91/73/88/553917388.db2.gz AWYIWEYVODAHLR-IBGZPJMESA-N 0 1 494.525 4.038 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OC ZINC000008383894 554567118 /nfs/dbraw/zinc/56/71/18/554567118.db2.gz MJQVXTXAQIIEPY-GYCJOSAFSA-N 0 1 481.545 4.032 50 30 JIEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1C ZINC000008904837 554799207 /nfs/dbraw/zinc/79/92/07/554799207.db2.gz IZAUABXAHAEQQW-QFIPXVFZSA-N 0 1 477.492 4.121 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008915029 554808114 /nfs/dbraw/zinc/80/81/14/554808114.db2.gz MQQCXMSOZSGXFV-INIZCTEOSA-N 0 1 454.529 4.391 50 30 JIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)c1 ZINC000008920421 554817254 /nfs/dbraw/zinc/81/72/54/554817254.db2.gz TYMRQTNWNVECIG-OAQYLSRUSA-N 0 1 451.910 4.214 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008921519 554818389 /nfs/dbraw/zinc/81/83/89/554818389.db2.gz FOYWPXFTBRFION-NXLSWJSLSA-N 0 1 499.007 4.226 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000008985872 554849034 /nfs/dbraw/zinc/84/90/34/554849034.db2.gz FGIPUYZXPOAUGV-YDJIHCHBSA-N 0 1 499.361 4.187 50 30 JIEAMN COc1ccc(-c2nc(SCC(=O)c3cc(C)n(CC(F)(F)F)c3C)[nH]c(=O)c2C#N)cc1 ZINC000009534786 555328976 /nfs/dbraw/zinc/32/89/76/555328976.db2.gz KODJQHGBXOUYQW-UHFFFAOYSA-N 0 1 476.480 4.273 50 30 JIEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000013571415 555510023 /nfs/dbraw/zinc/51/00/23/555510023.db2.gz RVPJZOQAMUDKDZ-HXUWFJFHSA-N 0 1 454.866 4.437 50 30 JIEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O ZINC000013600885 555530030 /nfs/dbraw/zinc/53/00/30/555530030.db2.gz DNVCDISBWNYLCX-SXGWCWSVSA-N 0 1 461.301 4.229 50 30 JIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OCc3ccccc3)c2)o1 ZINC000019938529 555556944 /nfs/dbraw/zinc/55/69/44/555556944.db2.gz YMTGTTFPEPWUMC-DEOSSOPVSA-N 0 1 460.530 4.307 50 30 JIEAMN COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C(C)C)s2)c1OC ZINC000013689277 555582607 /nfs/dbraw/zinc/58/26/07/555582607.db2.gz XDXIIWMKRDLKDT-MRXNPFEDSA-N 0 1 455.492 4.055 50 30 JIEAMN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c1C ZINC000013733834 555605157 /nfs/dbraw/zinc/60/51/57/555605157.db2.gz GJUFQNFMNAHFGD-HXUWFJFHSA-N 0 1 465.531 4.043 50 30 JIEAMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000010211760 555646392 /nfs/dbraw/zinc/64/63/92/555646392.db2.gz SYXDIXJVWHYOEP-IBGZPJMESA-N 0 1 491.569 4.468 50 30 JIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000020150037 555665995 /nfs/dbraw/zinc/66/59/95/555665995.db2.gz DNMHMOOPXPYHIQ-RUZDIDTESA-N 0 1 478.589 4.119 50 30 JIEAMN Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1 ZINC000020167061 555677682 /nfs/dbraw/zinc/67/76/82/555677682.db2.gz HUKKBBFBNATZRN-FQEVSTJZSA-N 0 1 457.368 4.206 50 30 JIEAMN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1 ZINC000020167061 555677683 /nfs/dbraw/zinc/67/76/83/555677683.db2.gz HUKKBBFBNATZRN-FQEVSTJZSA-N 0 1 457.368 4.206 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000020310538 555769166 /nfs/dbraw/zinc/76/91/66/555769166.db2.gz JDSIJBYICUNEDR-DEOSSOPVSA-N 0 1 482.577 4.028 50 30 JIEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000015934753 556072068 /nfs/dbraw/zinc/07/20/68/556072068.db2.gz JMJWSAHSDDBMRD-CJAUYULYSA-N 0 1 487.556 4.274 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000024081293 556120210 /nfs/dbraw/zinc/12/02/10/556120210.db2.gz YEVUOXLBSKZNHQ-VWLOTQADSA-N 0 1 476.573 4.265 50 30 JIEAMN COc1cc([C@H]2Nc3ccccc3C(=O)N2/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O ZINC000018194620 556301992 /nfs/dbraw/zinc/30/19/92/556301992.db2.gz OFVDLSVSAAIVHE-WGBQGACBSA-N 0 1 477.433 4.208 50 30 JIEAMN COC(=O)C[C@@H](c1ccc(C#N)cc1)c1c2oc(-c3ccccc3)cc(O)c-2c(O)c(O)c1=O ZINC000096222571 569739589 /nfs/dbraw/zinc/73/95/89/569739589.db2.gz UHKWZBTUHKEELJ-KRWDZBQOSA-N 0 1 457.438 4.143 50 30 biogenic 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C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101287859 569789659 /nfs/dbraw/zinc/78/96/59/569789659.db2.gz QFSJFHRPFACTFJ-AYWGPLOBSA-N 0 1 471.469 4.177 50 30 JIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101313533 569792118 /nfs/dbraw/zinc/79/21/18/569792118.db2.gz ITSPPATZCRKGRP-NXLSWJSLSA-N 0 1 456.498 4.277 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000103143836 569833361 /nfs/dbraw/zinc/83/33/61/569833361.db2.gz ALTKEMYHGQEXDS-HOGKFDNTSA-N 0 1 468.506 4.150 50 30 JIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000104214838 569843199 /nfs/dbraw/zinc/84/31/99/569843199.db2.gz PLMSAANMGJPFCL-MRJHHRETSA-N 0 1 475.372 4.137 50 30 JIEAMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCCc1cnc[nH]1)[C@H]2[C@@H]1CC=CCC1 ZINC000215863691 569877717 /nfs/dbraw/zinc/87/77/17/569877717.db2.gz VEDYPZLIGYISIT-WINIVTDRSA-N 0 1 473.621 4.369 50 30 JIEAMN CCCC1SC(=NN=Cc2ccccc2OS(=O)(=O)c2ccc(Cl)c(Cl)c2)NC1=O ZINC000252639534 570090284 /nfs/dbraw/zinc/09/02/84/570090284.db2.gz YLJWQLIHRXFTBY-QGZVFWFLSA-N 0 1 486.402 4.483 50 30 JIEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](C)CCc3ccccc3)C1=O)O2 ZINC000263585685 570171196 /nfs/dbraw/zinc/17/11/96/570171196.db2.gz LIASCBQRFUFWTB-WUWRMKALSA-N 0 1 475.541 4.180 50 30 JIEAMN C=CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)C ZINC000036309274 128387270 /nfs/dbraw/zinc/38/72/70/128387270.db2.gz CVNQYCLABCKLRO-OFNKIYASSA-N 0 1 493.069 4.180 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1Cl ZINC000096325070 130071473 /nfs/dbraw/zinc/07/14/73/130071473.db2.gz BWPKFFXDIXAZRQ-NRFANRHFSA-N 0 1 451.910 4.214 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102368993 130123257 /nfs/dbraw/zinc/12/32/57/130123257.db2.gz SGBGKKVQVKTXNR-WOOAAIBNSA-N 0 1 480.502 4.168 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)cc1 ZINC000102507622 130162145 /nfs/dbraw/zinc/16/21/45/130162145.db2.gz KNYKPSDVVZVRKG-MRJHHRETSA-N 0 1 487.394 4.221 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)o2)nc1C ZINC000102526716 130179105 /nfs/dbraw/zinc/17/91/05/130179105.db2.gz AZSHYXSFLBGCFO-GROYHEBESA-N 0 1 452.488 4.156 50 30 JIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000102528767 130181766 /nfs/dbraw/zinc/18/17/66/130181766.db2.gz NBZNAZCVYQBSDD-IIHDFJPDSA-N 0 1 455.510 4.380 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102650486 130231431 /nfs/dbraw/zinc/23/14/31/130231431.db2.gz MBSJWFMENOXLFU-IYGWJSLMSA-N 0 1 465.546 4.257 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102716624 130262797 /nfs/dbraw/zinc/26/27/97/130262797.db2.gz LMFFVWJNBYYXMZ-GHNGSUTGSA-N 0 1 482.514 4.165 50 30 JIEAMN 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CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102881487 130358155 /nfs/dbraw/zinc/35/81/55/130358155.db2.gz RVNRVTJPIMVNHY-SBXHHDGASA-N 0 1 499.007 4.273 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccnc2)cc1 ZINC000102895230 130377213 /nfs/dbraw/zinc/37/72/13/130377213.db2.gz LYBAVVRRLXQUAB-WOOAAIBNSA-N 0 1 493.541 4.048 50 30 JIEAMN C=CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036306335 518991961 /nfs/dbraw/zinc/99/19/61/518991961.db2.gz OTZGQQDZOIXZQW-HSZRJFAPSA-N 0 1 465.594 4.200 50 30 JIEAMN C=CCSc1nnc2c(n1)O[C@H](c1cc(OCC)c(O)c([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000015016316 519092628 /nfs/dbraw/zinc/09/26/28/519092628.db2.gz ZDBAFUIZTULTSK-LJQANCHMSA-N 0 1 453.480 4.332 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009019462 520774234 /nfs/dbraw/zinc/77/42/34/520774234.db2.gz ZSZLTQYGYVJJHR-XMMPIXPASA-N 0 1 474.513 4.281 50 30 JIEAMN 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CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C(O)C(=O)N1CCN(C)C ZINC000020358324 521579122 /nfs/dbraw/zinc/57/91/22/521579122.db2.gz CHWIVVYOELURHL-HSZRJFAPSA-N 0 1 452.551 4.012 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000009073421 521612060 /nfs/dbraw/zinc/61/20/60/521612060.db2.gz KKEQEFGGFQPSBF-MRXNPFEDSA-N 0 1 499.526 4.381 50 30 JIEAMN COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc([N+](=O)[O-])c1O ZINC000015686231 522921032 /nfs/dbraw/zinc/92/10/32/522921032.db2.gz JVRIJVCIKGBWOP-JOCHJYFZSA-N 0 1 451.479 4.472 50 30 JIEAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCc1cn2ccccc2c1C#N ZINC000014852296 525002619 /nfs/dbraw/zinc/00/26/19/525002619.db2.gz GHRRUPWRVMMQIH-UHFFFAOYSA-N 0 1 463.490 4.416 50 30 JIEAMN Oc1c(I)cc(I)cc1/C=N/c1ccc(F)cc1 ZINC000012428967 526330507 /nfs/dbraw/zinc/33/05/07/526330507.db2.gz APYZWFOHUIPZDS-REZTVBANSA-N 0 1 467.019 4.491 50 30 JIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1 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CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000001152266 553917164 /nfs/dbraw/zinc/91/71/64/553917164.db2.gz CGWMIRXARRULJU-XMMPIXPASA-N 0 1 457.530 4.325 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000001462064 553975686 /nfs/dbraw/zinc/97/56/86/553975686.db2.gz SOLZCLZVKZBBPR-HXUWFJFHSA-N 0 1 466.515 4.429 50 30 JIEAMN O=c1c2c3c(sc2ncn1/N=C/c1cc(Br)cc(Br)c1O)CCCC3 ZINC000002207649 554093520 /nfs/dbraw/zinc/09/35/20/554093520.db2.gz PVOHQQFCDRBPNB-QPSGOUHRSA-N 0 1 483.185 4.450 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)s1 ZINC000002501857 554229398 /nfs/dbraw/zinc/22/93/98/554229398.db2.gz FKCRFWYRYFSEKH-MRXNPFEDSA-N 0 1 456.321 4.392 50 30 JIEAMN COc1ccc(C=Nn2c(C(F)F)n[nH]c2=S)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000002791850 554347501 /nfs/dbraw/zinc/34/75/01/554347501.db2.gz IQWOXXZJFSYPNW-GZIVZEMBSA-N 0 1 453.402 4.022 50 30 JIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)F)cc1Cn1nc(C)c(Br)c1C ZINC000002793669 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/nfs/dbraw/zinc/74/17/48/554741748.db2.gz VOTMWUKFSRZASU-GOSISDBHSA-N 0 1 454.891 4.351 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000008845151 554741754 /nfs/dbraw/zinc/74/17/54/554741754.db2.gz PPPZJJUCKOVTIA-NRFANRHFSA-N 0 1 489.484 4.385 50 30 JIEAMN O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000008845223 554741770 /nfs/dbraw/zinc/74/17/70/554741770.db2.gz PBKYQVDPEVCFEL-JOCHJYFZSA-N 0 1 462.889 4.285 50 30 JIEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000008845314 554742117 /nfs/dbraw/zinc/74/21/17/554742117.db2.gz UIYVMXZWUZZIAD-AREMUKBSSA-N 0 1 468.513 4.496 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008858345 554755241 /nfs/dbraw/zinc/75/52/41/554755241.db2.gz NAGPUKWZJOFKFT-XMMPIXPASA-N 0 1 499.007 4.429 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008859407 554755983 /nfs/dbraw/zinc/75/59/83/554755983.db2.gz BVRVVRWAQUWJGD-AREMUKBSSA-N 0 1 490.600 4.285 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008896028 554785359 /nfs/dbraw/zinc/78/53/59/554785359.db2.gz XQKXAFJXIROGAT-NRFANRHFSA-N 0 1 463.446 4.463 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Br)c3)oc21 ZINC000008921854 554818901 /nfs/dbraw/zinc/81/89/01/554818901.db2.gz UTBSHOHXOILPIW-NHFXJNLRSA-N 0 1 499.361 4.187 50 30 JIEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)c(O)c1 ZINC000008973968 554845343 /nfs/dbraw/zinc/84/53/43/554845343.db2.gz OQSFPRBOOZKTSI-YDZHTSKRSA-N 0 1 457.556 4.067 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)s1 ZINC000009541724 555334361 /nfs/dbraw/zinc/33/43/61/555334361.db2.gz BUYBRCKGSKNPEL-NSPYISDASA-N 0 1 451.479 4.092 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000019938374 555556207 /nfs/dbraw/zinc/55/62/07/555556207.db2.gz VNOKSFJNAYUJFX-AREMUKBSSA-N 0 1 486.568 4.414 50 30 JIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000019938523 555556477 /nfs/dbraw/zinc/55/64/77/555556477.db2.gz VBGDQQKLOMEUPQ-QHCPKHFHSA-N 0 1 462.571 4.467 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000020228705 555719111 /nfs/dbraw/zinc/71/91/11/555719111.db2.gz KALUPAAQQDQEKP-RUZDIDTESA-N 0 1 478.589 4.084 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000020228906 555719553 /nfs/dbraw/zinc/71/95/53/555719553.db2.gz XGCZYZZRVAMNJF-QFIPXVFZSA-N 0 1 472.969 4.277 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000016734356 556155615 /nfs/dbraw/zinc/15/56/15/556155615.db2.gz XVKRTRIASTXIKV-QHCPKHFHSA-N 0 1 473.481 4.410 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000016734447 556155625 /nfs/dbraw/zinc/15/56/25/556155625.db2.gz XYLIHCXFTRCBRO-XMMPIXPASA-N 0 1 484.508 4.212 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)ccc2OC)c(C)c1 ZINC000017162869 556230042 /nfs/dbraw/zinc/23/00/42/556230042.db2.gz XCGNHEVCTDLTMC-DEOSSOPVSA-N 0 1 474.513 4.194 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000027020907 556271046 /nfs/dbraw/zinc/27/10/46/556271046.db2.gz OTIPFBMDQUULEN-HSZRJFAPSA-N 0 1 465.546 4.370 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCOC)ccc1O ZINC000027988088 556311335 /nfs/dbraw/zinc/31/13/35/556311335.db2.gz WIKYMDLWOJYGGR-XMMPIXPASA-N 0 1 483.561 4.359 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(N(C)C)cc2)cc1Cl ZINC000027988868 556311488 /nfs/dbraw/zinc/31/14/88/556311488.db2.gz YXXGBLBFUUNWDQ-NRFANRHFSA-N 0 1 458.942 4.029 50 30 JIEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CC[NH+](CC)CC3)C2=O)c2cc(OC)ccc21 ZINC000032501345 556437021 /nfs/dbraw/zinc/43/70/21/556437021.db2.gz UHORMJWUKYNIEJ-QFEZKATASA-N 0 1 461.562 4.129 50 30 JIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008737835 569602127 /nfs/dbraw/zinc/60/21/27/569602127.db2.gz FQJURCPHASDUMU-JOCHJYFZSA-N 0 1 499.405 4.058 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000097955203 569747655 /nfs/dbraw/zinc/74/76/55/569747655.db2.gz JUYRORHXIKTYJM-NIYFSFCBSA-N 0 1 499.567 4.440 50 30 JIEAMN C#CCOC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036316435 569762999 /nfs/dbraw/zinc/76/29/99/569762999.db2.gz XMTZGWKRVGWDDV-HSZRJFAPSA-N 0 1 477.605 4.458 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000101062644 569780761 /nfs/dbraw/zinc/78/07/61/569780761.db2.gz ZLSYYNNEFYWWKO-IBOXJLQUSA-N 0 1 486.303 4.440 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000101287151 569789322 /nfs/dbraw/zinc/78/93/22/569789322.db2.gz VKURHTPKMPRWQT-NPJIAGGLSA-N 0 1 486.524 4.286 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101294293 569790023 /nfs/dbraw/zinc/79/00/23/569790023.db2.gz TWIZTOUVGOAWQD-KXCNXCNDSA-N 0 1 499.567 4.283 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000101313398 569791999 /nfs/dbraw/zinc/79/19/99/569791999.db2.gz FXVQPKXAMZOBOO-ZHHPLPSFSA-N 0 1 461.493 4.099 50 30 JIEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000102861167 569825034 /nfs/dbraw/zinc/82/50/34/569825034.db2.gz NNUOVDOYJUQADF-VAGBDARLSA-N 0 1 465.546 4.257 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102863446 569825463 /nfs/dbraw/zinc/82/54/63/569825463.db2.gz LSEZRPDSAYHDNP-NPJIAGGLSA-N 0 1 496.604 4.262 50 30 JIEAMN C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21 ZINC000218033553 569882549 /nfs/dbraw/zinc/88/25/49/569882549.db2.gz SGQOEECGSUJWPV-INIZCTEOSA-N 0 1 464.470 4.414 50 30 biogenic JIEAMN C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000230111102 570044983 /nfs/dbraw/zinc/04/49/83/570044983.db2.gz HGBNFYNDSCZVID-LLZJGCNPSA-N 0 1 498.689 4.369 50 30 JIEAMN COc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)c(C#N)c2OCC(F)(F)F)cc1 ZINC000001040839 194008209 /nfs/dbraw/zinc/00/82/09/194008209.db2.gz UYFWMGCEOZOOFW-UHFFFAOYSA-N 0 1 484.374 4.250 50 30 JIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102368866 130122591 /nfs/dbraw/zinc/12/25/91/130122591.db2.gz VMJSQNAKRCOKOW-JBCNATCCSA-N 0 1 463.446 4.305 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102487175 130141409 /nfs/dbraw/zinc/14/14/09/130141409.db2.gz KGZUBDODJUWYFS-MOBKVPTQSA-N 0 1 465.937 4.447 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000102499730 130153620 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/nfs/dbraw/zinc/24/98/21/130249821.db2.gz QSEFQENQHRDETN-HOGKFDNTSA-N 0 1 476.485 4.185 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102705468 130251211 /nfs/dbraw/zinc/25/12/11/130251211.db2.gz PGIBIBUMXSXYOE-WOOAAIBNSA-N 0 1 469.837 4.180 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000102710538 130256788 /nfs/dbraw/zinc/25/67/88/130256788.db2.gz ONUCJLVQRSOLNJ-YDJIHCHBSA-N 0 1 465.531 4.269 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccco2)nc1C ZINC000102725251 130269809 /nfs/dbraw/zinc/26/98/09/130269809.db2.gz KWMNEXDYEZHBFI-GROYHEBESA-N 0 1 452.488 4.156 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102798377 130306539 /nfs/dbraw/zinc/30/65/39/130306539.db2.gz XQMMFJOYRNIKHI-GHNGSUTGSA-N 0 1 451.460 4.076 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102804040 130311909 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CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102491422 130145215 /nfs/dbraw/zinc/14/52/15/130145215.db2.gz CHDRUHNPCJYPGH-SBXHHDGASA-N 0 1 466.578 4.246 50 30 JIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102491076 130145338 /nfs/dbraw/zinc/14/53/38/130145338.db2.gz PUSJGWSAQVCFKS-LFVOPCPISA-N 0 1 454.479 4.240 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102492643 130147202 /nfs/dbraw/zinc/14/72/02/130147202.db2.gz MMDSPOXEWRRQKK-MOBKVPTQSA-N 0 1 459.458 4.405 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102525920 130178360 /nfs/dbraw/zinc/17/83/60/130178360.db2.gz ZNTSVYAKMCMLBZ-NXLSWJSLSA-N 0 1 493.535 4.332 50 30 JIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000102558356 130207420 /nfs/dbraw/zinc/20/74/20/130207420.db2.gz VDBCJWDIRWUQCR-SBXHHDGASA-N 0 1 458.514 4.499 50 30 JIEAMN 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C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009334329 519046152 /nfs/dbraw/zinc/04/61/52/519046152.db2.gz NFZPWAICDALMFB-DEOSSOPVSA-N 0 1 457.530 4.425 50 30 JIEAMN CC/N=C1/S/C(=C/c2cc(Br)c(O)c(I)c2)C(=O)N1CC ZINC000009261574 520204737 /nfs/dbraw/zinc/20/47/37/520204737.db2.gz UHNOEAWYEDYUCB-SQNOIRBYSA-N 0 1 481.153 4.071 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000009994289 520325972 /nfs/dbraw/zinc/32/59/72/520325972.db2.gz OQGCMOIISYUZNG-SANMLTNESA-N 0 1 492.616 4.393 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009312834 520468150 /nfs/dbraw/zinc/46/81/50/520468150.db2.gz GLFFVDBUUNTMSN-BXKMTCNYSA-N 0 1 465.546 4.414 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009354455 520858674 /nfs/dbraw/zinc/85/86/74/520858674.db2.gz XMXDSMAWVYIKBM-DEOSSOPVSA-N 0 1 482.577 4.028 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009360760 520858706 /nfs/dbraw/zinc/85/87/06/520858706.db2.gz RZJIHIJNFKIYJV-QHCPKHFHSA-N 0 1 499.560 4.116 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCOC)cc1OC ZINC000009380570 521268423 /nfs/dbraw/zinc/26/84/23/521268423.db2.gz IGGNPVALKXEHSX-QHCPKHFHSA-N 0 1 469.534 4.026 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2ccco2)nc1C ZINC000009184923 521612084 /nfs/dbraw/zinc/61/20/84/521612084.db2.gz RULCSNCFWJFEDD-GOSISDBHSA-N 0 1 482.514 4.403 50 30 JIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 ZINC000020444056 521756246 /nfs/dbraw/zinc/75/62/46/521756246.db2.gz ZUABYPJUEGZFPQ-RUZDIDTESA-N 0 1 472.541 4.111 50 30 JIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000016731475 522171776 /nfs/dbraw/zinc/17/17/76/522171776.db2.gz WUCAGJNJDKUCEY-QFIPXVFZSA-N 0 1 460.461 4.094 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009425139 523282518 /nfs/dbraw/zinc/28/25/18/523282518.db2.gz YPXILFRUBYAXIW-RUZDIDTESA-N 0 1 495.572 4.498 50 30 JIEAMN COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000009318941 523492615 /nfs/dbraw/zinc/49/26/15/523492615.db2.gz IJLZQHBSSOQOMI-UFFVCSGVSA-N 0 1 479.356 4.287 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009362781 523562774 /nfs/dbraw/zinc/56/27/74/523562774.db2.gz AVHQGGVHJPELHE-QUCCMNQESA-N 0 1 472.335 4.215 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009272240 523792767 /nfs/dbraw/zinc/79/27/67/523792767.db2.gz LHYVDMYMHNPCLS-QFIPXVFZSA-N 0 1 468.506 4.163 50 30 JIEAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000022476669 524644819 /nfs/dbraw/zinc/64/48/19/524644819.db2.gz SELUSJHYAAMKMZ-UHFFFAOYSA-N 0 1 488.487 4.296 50 30 JIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000015934787 525515201 /nfs/dbraw/zinc/51/52/01/525515201.db2.gz YBZSPYNGANYAPU-WAIKUNEKSA-N 0 1 461.493 4.014 50 30 JIEAMN Cc1c(N2C(=O)C(=O)C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000009358735 525824228 /nfs/dbraw/zinc/82/42/28/525824228.db2.gz VSPCFJNUNUEPSO-DEOSSOPVSA-N 0 1 483.499 4.406 50 30 JIEAMN Oc1c(Br)cc(Br)cc1C=NN1C(=S)N=NC1COc1ccccc1 ZINC000009348890 526323142 /nfs/dbraw/zinc/32/31/42/526323142.db2.gz HUPUMFQWJSMMLP-UFWORHAWSA-N 0 1 484.173 4.259 50 30 JIEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102601424 535093097 /nfs/dbraw/zinc/09/30/97/535093097.db2.gz HWWQTJPKLFANAU-IUKMQXEJSA-N 0 1 494.588 4.010 50 30 JIEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102590985 535122043 /nfs/dbraw/zinc/12/20/43/535122043.db2.gz GLOWGQBWLJBPTK-NXLSWJSLSA-N 0 1 480.580 4.267 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(F)c2)cc1Cl ZINC000102540713 536565040 /nfs/dbraw/zinc/56/50/40/536565040.db2.gz JUSHARJNKKWRSH-MRJHHRETSA-N 0 1 469.900 4.196 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102896494 536884282 /nfs/dbraw/zinc/88/42/82/536884282.db2.gz MYOIRRXWMXSYNL-IUKMQXEJSA-N 0 1 488.540 4.453 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000102594519 536884668 /nfs/dbraw/zinc/88/46/68/536884668.db2.gz DCJQGVCUCXDARS-WOOAAIBNSA-N 0 1 499.317 4.394 50 30 JIEAMN N#CCCN(C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1 ZINC000002625411 554249315 /nfs/dbraw/zinc/24/93/15/554249315.db2.gz JAEPLBXAHXVILG-UHFFFAOYSA-N 0 1 460.332 4.412 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000005921172 554496058 /nfs/dbraw/zinc/49/60/58/554496058.db2.gz JETDTPFWOYIMBP-HSZRJFAPSA-N 0 1 463.486 4.474 50 30 JIEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000008743733 554646625 /nfs/dbraw/zinc/64/66/25/554646625.db2.gz SHVNPDLHNQUHPJ-AREMUKBSSA-N 0 1 486.568 4.420 50 30 JIEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccnc1 ZINC000008818399 554702218 /nfs/dbraw/zinc/70/22/18/554702218.db2.gz HMOJGTARICOGSB-VWLOTQADSA-N 0 1 471.557 4.109 50 30 JIEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000008837184 554737888 /nfs/dbraw/zinc/73/78/88/554737888.db2.gz PDZOWIUXEKPJKS-NRFANRHFSA-N 0 1 479.920 4.245 50 30 JIEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008857751 554754291 /nfs/dbraw/zinc/75/42/91/554754291.db2.gz XPOKRBOAUFHUAR-DEOSSOPVSA-N 0 1 499.007 4.428 50 30 JIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008861978 554759261 /nfs/dbraw/zinc/75/92/61/554759261.db2.gz HRZUVCSFCKOBHI-NRFANRHFSA-N 0 1 458.426 4.299 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008892656 554780978 /nfs/dbraw/zinc/78/09/78/554780978.db2.gz FLLREUSGJIFSKT-QHCPKHFHSA-N 0 1 463.509 4.480 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccs2)nc1C ZINC000013569151 555507482 /nfs/dbraw/zinc/50/74/82/555507482.db2.gz SVFAUXWLKUGPDR-KRWDZBQOSA-N 0 1 484.555 4.481 50 30 JIEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C(C)C)s2)c1 ZINC000013729017 555602211 /nfs/dbraw/zinc/60/22/11/555602211.db2.gz QRFWRWXTOPWCSI-KRWDZBQOSA-N 0 1 455.492 4.055 50 30 JIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020057211 555620403 /nfs/dbraw/zinc/62/04/03/555620403.db2.gz JVXLLDJMCSPETD-RUZDIDTESA-N 0 1 478.589 4.083 50 30 JIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020064839 555624913 /nfs/dbraw/zinc/62/49/13/555624913.db2.gz DGQVBIMWXPJFMT-DEOSSOPVSA-N 0 1 450.579 4.478 50 30 JIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Br)c1 ZINC000020133023 555657378 /nfs/dbraw/zinc/65/73/78/555657378.db2.gz SAQQPOHVEIJYJD-FQEVSTJZSA-N 0 1 469.335 4.335 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020149684 555665392 /nfs/dbraw/zinc/66/53/92/555665392.db2.gz YIWHRASKCWXTNI-JOCHJYFZSA-N 0 1 472.969 4.277 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020149684 555665393 /nfs/dbraw/zinc/66/53/93/555665393.db2.gz YIWHRASKCWXTNI-JOCHJYFZSA-N 0 1 472.969 4.277 50 30 JIEAMN CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc([N+](=O)[O-])c1O ZINC000020154642 555674492 /nfs/dbraw/zinc/67/44/92/555674492.db2.gz ASWADGFAXYRXSJ-WFASDCNBSA-N 0 1 456.882 4.357 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020219481 555714856 /nfs/dbraw/zinc/71/48/56/555714856.db2.gz YKYNWLQFHFRCGO-NRFANRHFSA-N 0 1 487.394 4.378 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020219481 555714857 /nfs/dbraw/zinc/71/48/57/555714857.db2.gz YKYNWLQFHFRCGO-NRFANRHFSA-N 0 1 487.394 4.378 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020310531 555769276 /nfs/dbraw/zinc/76/92/76/555769276.db2.gz YYACEQXENAEYFV-DEOSSOPVSA-N 0 1 466.578 4.410 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020310744 555769514 /nfs/dbraw/zinc/76/95/14/555769514.db2.gz WXLFZNDPBTUYDB-XMMPIXPASA-N 0 1 466.578 4.410 50 30 JIEAMN N#Cc1ccc(C[N@@H+]2CCCN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000024527830 556133855 /nfs/dbraw/zinc/13/38/55/556133855.db2.gz CBXVTYPFQCXUHC-UHFFFAOYSA-N 0 1 498.612 4.015 50 30 JIEAMN C=CCn1c(COc2ccccc2F)nnc1SCC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000012939745 556153716 /nfs/dbraw/zinc/15/37/16/556153716.db2.gz VWWRGVAUAKACNM-IBGZPJMESA-N 0 1 487.601 4.067 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000016805755 556162029 /nfs/dbraw/zinc/16/20/29/556162029.db2.gz AZLXFUUDDQDJLI-IBGZPJMESA-N 0 1 451.479 4.333 50 30 JIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCOC)ccc1O ZINC000027988082 556311344 /nfs/dbraw/zinc/31/13/44/556311344.db2.gz WIKYMDLWOJYGGR-DEOSSOPVSA-N 0 1 483.561 4.359 50 30 JIEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000013123215 556339322 /nfs/dbraw/zinc/33/93/22/556339322.db2.gz PTGYGXSFEVHKCY-RUZDIDTESA-N 0 1 472.589 4.444 50 30 JIEAMN CCN(CC)c1nc(N=NCc2ccc(C)c(Cl)c2)nc(Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000019537047 556353318 /nfs/dbraw/zinc/35/33/18/556353318.db2.gz GJWMVUFPYJOZDP-FSJBWODESA-N 0 1 470.921 4.483 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000095483811 569725326 /nfs/dbraw/zinc/72/53/26/569725326.db2.gz OJKKAPSSTBWOSG-DEOSSOPVSA-N 0 1 493.535 4.488 50 30 JIEAMN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000095892004 569729476 /nfs/dbraw/zinc/72/94/76/569729476.db2.gz KUKIQGAOOWNMQW-JOCHJYFZSA-N 0 1 475.936 4.161 50 30 JIEAMN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316388 569762789 /nfs/dbraw/zinc/76/27/89/569762789.db2.gz APWZOIUBLJAKSE-QHCPKHFHSA-N 0 1 477.605 4.457 50 30 JIEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036342064 569765262 /nfs/dbraw/zinc/76/52/62/569765262.db2.gz OUEJOEFBHNOUFC-QHCPKHFHSA-N 0 1 451.542 4.333 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2OC)cc1 ZINC000101288065 569789713 /nfs/dbraw/zinc/78/97/13/569789713.db2.gz JVXQQVDCYNMBHR-NXLSWJSLSA-N 0 1 456.498 4.277 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102931352 569828439 /nfs/dbraw/zinc/82/84/39/569828439.db2.gz MMYZBBKQCFSWLR-SELCWUDQSA-N 0 1 493.497 4.163 50 30 JIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000104245443 569843998 /nfs/dbraw/zinc/84/39/98/569843998.db2.gz AHJNJJDAZGLQAH-MRJHHRETSA-N 0 1 493.362 4.277 50 30 JIEAMN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000105001821 569848868 /nfs/dbraw/zinc/84/88/68/569848868.db2.gz OZJCFUSLMHSVAF-RSXGOPAZSA-N 0 1 489.616 4.180 50 30 JIEAMN C=C(C)COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC ZINC000218057253 569882611 /nfs/dbraw/zinc/88/26/11/569882611.db2.gz GULCQDZUNARGNR-MRXNPFEDSA-N 0 1 464.470 4.414 50 30 biogenic JIEAMN COc1ccc(C2N=NC(=S)N2N=Cc2cc(Br)cc(Br)c2O)cc1 ZINC000239203455 570049479 /nfs/dbraw/zinc/04/94/79/570049479.db2.gz SKDVOIHXFHDEKM-UHFFFAOYSA-N 0 1 484.173 4.355 50 30 JIEAMN CCCC1SC(=NN=Cc2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)NC1=O ZINC000252623762 570087903 /nfs/dbraw/zinc/08/79/03/570087903.db2.gz OYPPUCNAEPNRFX-OAQYLSRUSA-N 0 1 467.572 4.329 50 30 JIEAMN COc1ccc(-c2ccc(C=NN=C3NC(=O)[C@H](Cc4cccc([N+](=O)[O-])c4)S3)o2)cc1 ZINC000252624137 570087918 /nfs/dbraw/zinc/08/79/18/570087918.db2.gz PHGOWNKWSKYHBJ-FQEVSTJZSA-N 0 1 450.476 4.028 50 30 JIEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3ccc(Cl)cc3)C1=O)O2 ZINC000253415026 570098659 /nfs/dbraw/zinc/09/86/59/570098659.db2.gz ZKDJGXQSYDJLOZ-QAKGTIEWSA-N 0 1 467.905 4.012 50 30 JIEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccnc2)cc1OC ZINC000004635130 194392790 /nfs/dbraw/zinc/39/27/90/194392790.db2.gz QJKLKACMDGWVMI-QHCPKHFHSA-N 0 1 462.477 4.059 50 30 JIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000096301084 130054004 /nfs/dbraw/zinc/05/40/04/130054004.db2.gz FMAHTLHUXAHQQI-DEOSSOPVSA-N 0 1 457.530 4.425 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000096304928 130054905 /nfs/dbraw/zinc/05/49/05/130054905.db2.gz KFEOLAASHVMNOD-DEOSSOPVSA-N 0 1 457.530 4.425 50 30 JIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102486336 130140306 /nfs/dbraw/zinc/14/03/06/130140306.db2.gz WGKHLERIZYYBMB-XTNNDJGYSA-N 0 1 477.948 4.372 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102494831 130149157 /nfs/dbraw/zinc/14/91/57/130149157.db2.gz CHQLNUBOGQYXEM-IUKMQXEJSA-N 0 1 488.540 4.428 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102525239 130177659 /nfs/dbraw/zinc/17/76/59/130177659.db2.gz SEXQBEAHGNQDRA-SBXHHDGASA-N 0 1 464.562 4.024 50 30 JIEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102590978 130218595 /nfs/dbraw/zinc/21/85/95/130218595.db2.gz GLOWGQBWLJBPTK-SBXHHDGASA-N 0 1 480.580 4.267 50 30 JIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102644132 130229377 /nfs/dbraw/zinc/22/93/77/130229377.db2.gz WGKHLERIZYYBMB-LEQIOXTRSA-N 0 1 477.948 4.372 50 30 JIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102644135 130229394 /nfs/dbraw/zinc/22/93/94/130229394.db2.gz WGKHLERIZYYBMB-FIMCBBJJSA-N 0 1 477.948 4.372 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102718429 130264652 /nfs/dbraw/zinc/26/46/52/130264652.db2.gz BAORURHCFFVENR-GHNGSUTGSA-N 0 1 482.489 4.012 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102804037 130311868 /nfs/dbraw/zinc/31/18/68/130311868.db2.gz LAYWULZCFOBBEF-UYTDBDHRSA-N 0 1 472.906 4.419 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102805995 130313035 /nfs/dbraw/zinc/31/30/35/130313035.db2.gz RBFQLESLFJPRRC-GROYHEBESA-N 0 1 470.453 4.143 50 30 JIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000102876447 130348112 /nfs/dbraw/zinc/34/81/12/130348112.db2.gz DJZLOPJPNBUAOU-UGYXAWDVSA-N 0 1 457.910 4.045 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102881283 130358111 /nfs/dbraw/zinc/35/81/11/130358111.db2.gz CXBGEFQDKYMSOI-WOOAAIBNSA-N 0 1 496.516 4.402 50 30 JIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102896498 130378600 /nfs/dbraw/zinc/37/86/00/130378600.db2.gz MYOIRRXWMXSYNL-NPJIAGGLSA-N 0 1 488.540 4.453 50 30 JIEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c1 ZINC000102897082 130379341 /nfs/dbraw/zinc/37/93/41/130379341.db2.gz XHIKKBFTSZAFRZ-NXLSWJSLSA-N 0 1 481.545 4.095 50 30 JIEAMN C#CCOC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036309243 518296106 /nfs/dbraw/zinc/29/61/06/518296106.db2.gz LZFMQMXUAYNKPQ-OZXSUGGESA-N 0 1 498.689 4.099 50 30 JIEAMN C#CCOC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036309244 518309233 /nfs/dbraw/zinc/30/92/33/518309233.db2.gz LZFMQMXUAYNKPQ-BVAGGSTKSA-N 0 1 498.689 4.099 50 30 JIEAMN C=CCC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309593 518713877 /nfs/dbraw/zinc/71/38/77/518713877.db2.gz BBLPRBFJJIQNHP-QPPBQGQZSA-N 0 1 490.641 4.058 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000009041753 519011027 /nfs/dbraw/zinc/01/10/27/519011027.db2.gz NYFUAXRVYNHVED-NXLSWJSLSA-N 0 1 464.562 4.024 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000009994443 519020033 /nfs/dbraw/zinc/02/00/33/519020033.db2.gz PYIGBRQIEKOGOB-DEOSSOPVSA-N 0 1 496.991 4.124 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000009994441 519020594 /nfs/dbraw/zinc/02/05/94/519020594.db2.gz PYIGBRQIEKOGOB-XMMPIXPASA-N 0 1 496.991 4.124 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009334050 519044275 /nfs/dbraw/zinc/04/42/75/519044275.db2.gz LIKMZXAYDWRRFZ-XMMPIXPASA-N 0 1 464.562 4.180 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000009993768 520327809 /nfs/dbraw/zinc/32/78/09/520327809.db2.gz OADRZFJKAPWDNC-RUZDIDTESA-N 0 1 478.589 4.003 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000009994279 520329234 /nfs/dbraw/zinc/32/92/34/520329234.db2.gz WUVBMKVCSFHTAQ-XMMPIXPASA-N 0 1 499.007 4.348 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000009994256 520329251 /nfs/dbraw/zinc/32/92/51/520329251.db2.gz LPGYNCYUCDGDDU-VWLOTQADSA-N 0 1 478.589 4.003 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009186703 520430682 /nfs/dbraw/zinc/43/06/82/520430682.db2.gz AOZOCEQEVUPMMY-NXLSWJSLSA-N 0 1 466.578 4.246 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1C ZINC000009020118 520856549 /nfs/dbraw/zinc/85/65/49/520856549.db2.gz MUDQRBSZSACXJB-AREMUKBSSA-N 0 1 492.616 4.475 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009244296 520858731 /nfs/dbraw/zinc/85/87/31/520858731.db2.gz VHRPXXGWNHGVQX-XMMPIXPASA-N 0 1 482.577 4.023 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016700829 520874881 /nfs/dbraw/zinc/87/48/81/520874881.db2.gz ZSPBNCHHEVOOQL-HXUWFJFHSA-N 0 1 474.351 4.463 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(OC)cc2)cc1Cl ZINC000016742379 520876070 /nfs/dbraw/zinc/87/60/70/520876070.db2.gz VGNWECSSQNHFIS-NRFANRHFSA-N 0 1 459.926 4.362 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(Br)c2)cc1 ZINC000009274107 520878840 /nfs/dbraw/zinc/87/88/40/520878840.db2.gz JFWJOKFNHFWSSQ-IBGZPJMESA-N 0 1 460.324 4.073 50 30 JIEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCOC)cc1OC ZINC000016701261 520895671 /nfs/dbraw/zinc/89/56/71/520895671.db2.gz SHLRGQYOPOUEJJ-XMMPIXPASA-N 0 1 483.561 4.416 50 30 JIEAMN 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CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000102868029 535688748 /nfs/dbraw/zinc/68/87/48/535688748.db2.gz BUSLIQYMLWBBDT-SBXHHDGASA-N 0 1 483.561 4.284 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102691543 536854846 /nfs/dbraw/zinc/85/48/46/536854846.db2.gz BGSUIBXNMWOHCI-SBXHHDGASA-N 0 1 483.561 4.115 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccnc1 ZINC000102711520 536855129 /nfs/dbraw/zinc/85/51/29/536855129.db2.gz SVYJRZNGHNFENZ-NXLSWJSLSA-N 0 1 458.514 4.037 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Br)c2)s1 ZINC000000637795 553721823 /nfs/dbraw/zinc/72/18/23/553721823.db2.gz QGJGNKXIRVYVLL-MRXNPFEDSA-N 0 1 456.321 4.392 50 30 JIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000001153937 553917471 /nfs/dbraw/zinc/91/74/71/553917471.db2.gz HSHCFPLVAQWVQB-JOCHJYFZSA-N 0 1 478.476 4.025 50 30 JIEAMN CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)cc(Br)c1O 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50 30 JIEAMN CCCOc1c(Br)cc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1OC ZINC000009634040 555338480 /nfs/dbraw/zinc/33/84/80/555338480.db2.gz PVYUKCDIJKKQSW-ZDUSSCGKSA-N 0 1 467.341 4.045 50 30 JIEAMN CCCOc1c(Br)cc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000009634040 555338481 /nfs/dbraw/zinc/33/84/81/555338481.db2.gz PVYUKCDIJKKQSW-ZDUSSCGKSA-N 0 1 467.341 4.045 50 30 JIEAMN CN1c2ccccc2C(=O)/C(=N\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1(=O)=O ZINC000013465984 555401870 /nfs/dbraw/zinc/40/18/70/555401870.db2.gz YNAGFTXTNHJSCF-MFKUBSTISA-N 0 1 451.348 4.112 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000013598866 555529776 /nfs/dbraw/zinc/52/97/76/555529776.db2.gz MYLMHZWNPITWDG-VWLOTQADSA-N 0 1 492.616 4.212 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000020064612 555624771 /nfs/dbraw/zinc/62/47/71/555624771.db2.gz ORHOFHXBYLLTOQ-RUZDIDTESA-N 0 1 496.604 4.274 50 30 JIEAMN 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C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000097955206 569747832 /nfs/dbraw/zinc/74/78/32/569747832.db2.gz JUYRORHXIKTYJM-SIBVEZHUSA-N 0 1 499.567 4.440 50 30 JIEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C\c3cc(Br)ccc3O)cc2)n1 ZINC000100482252 569761914 /nfs/dbraw/zinc/76/19/14/569761914.db2.gz LTOCDNSKAMOTPF-NHDPSOOVSA-N 0 1 461.341 4.113 50 30 JIEAMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000101122306 569783601 /nfs/dbraw/zinc/78/36/01/569783601.db2.gz OOTQLSXFVKVZEB-MHWRWJLKSA-N 0 1 474.327 4.432 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000101313971 569792406 /nfs/dbraw/zinc/79/24/06/569792406.db2.gz BSVMMYHBEUUGHD-NPJIAGGLSA-N 0 1 484.508 4.040 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102169850 569810530 /nfs/dbraw/zinc/81/05/30/569810530.db2.gz CRSYXOQXMXHRQF-HOGKFDNTSA-N 0 1 456.970 4.358 50 30 JIEAMN 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C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000009435332 519022001 /nfs/dbraw/zinc/02/20/01/519022001.db2.gz YADXVYQXJOOLLY-RUZDIDTESA-N 0 1 486.524 4.442 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1 ZINC000016741620 519047497 /nfs/dbraw/zinc/04/74/97/519047497.db2.gz BJSYWEHGAQXCNM-OSPHWJPCSA-N 0 1 463.530 4.190 50 30 JIEAMN C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000015224782 519124554 /nfs/dbraw/zinc/12/45/54/519124554.db2.gz KLYBZQQXLLVXGK-WOJGMQOQSA-N 0 1 457.324 4.336 50 30 JIEAMN CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(Cc3ccccc3Cl)CC2)C1=O ZINC000014883016 519340390 /nfs/dbraw/zinc/34/03/90/519340390.db2.gz LKPYTLMUTLUZTI-SANMLTNESA-N 0 1 467.972 4.248 50 30 JIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009186702 520420326 /nfs/dbraw/zinc/42/03/26/520420326.db2.gz AOZOCEQEVUPMMY-SBXHHDGASA-N 0 1 466.578 4.246 50 30 JIEAMN 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COc1ccc(-c2csc(C3=C(N)N(N=Cc4cc(OC)c(OC)c(OC)c4)CC3=O)n2)cc1 ZINC000102719649 536498440 /nfs/dbraw/zinc/49/84/40/536498440.db2.gz RKBSIWOCYCJKPN-IDADWYQSSA-N 0 1 480.546 4.441 50 30 JIEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000000703170 553762460 /nfs/dbraw/zinc/76/24/60/553762460.db2.gz ZSNSXUUDYLXNBX-DEOSSOPVSA-N 0 1 456.498 4.194 50 30 JIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001122637 553912134 /nfs/dbraw/zinc/91/21/34/553912134.db2.gz NJCQIHBYYWQTFV-IEBWSBKVSA-N 0 1 487.306 4.115 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000001132263 553914718 /nfs/dbraw/zinc/91/47/18/553914718.db2.gz JCPYMYSCNOPLGT-OYLFLEFRSA-N 0 1 475.497 4.399 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000006090198 554505048 /nfs/dbraw/zinc/50/50/48/554505048.db2.gz KDIZWUOPGXPPRJ-DEOSSOPVSA-N 0 1 474.513 4.276 50 30 JIEAMN COCc1cc(C)nc(N=NCc2cc(Br)cc(Br)c2O)c1C#N ZINC000006177738 554515354 /nfs/dbraw/zinc/51/53/54/554515354.db2.gz XWYJRHDRJOSLAW-IFRROFPPSA-N 0 1 454.122 4.085 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000006445240 554539600 /nfs/dbraw/zinc/53/96/00/554539600.db2.gz NGFILRLPQNGEKP-FQEVSTJZSA-N 0 1 479.286 4.356 50 30 JIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1 ZINC000006446701 554540903 /nfs/dbraw/zinc/54/09/03/554540903.db2.gz YCDHVIDPERJWKR-FQEVSTJZSA-N 0 1 466.335 4.314 50 30 JIEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000008742456 554645145 /nfs/dbraw/zinc/64/51/45/554645145.db2.gz SHVNPDLHNQUHPJ-SANMLTNESA-N 0 1 486.568 4.420 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000008817150 554699553 /nfs/dbraw/zinc/69/95/53/554699553.db2.gz GUSAZNPCXUFJRH-VWLOTQADSA-N 0 1 496.604 4.331 50 30 JIEAMN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000008835003 554733249 /nfs/dbraw/zinc/73/32/49/554733249.db2.gz NQPBPALZHASOMW-OAQYLSRUSA-N 0 1 479.920 4.245 50 30 JIEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1OC ZINC000008845141 554741845 /nfs/dbraw/zinc/74/18/45/554741845.db2.gz WVQZBMSSWAXBBC-AREMUKBSSA-N 0 1 468.513 4.496 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008905314 554799719 /nfs/dbraw/zinc/79/97/19/554799719.db2.gz DBHBCZWKHWORFH-QHCPKHFHSA-N 0 1 450.579 4.441 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(O)cc1 ZINC000008926726 554824064 /nfs/dbraw/zinc/82/40/64/554824064.db2.gz GQGPDXDRNZRTFG-HSZRJFAPSA-N 0 1 453.535 4.350 50 30 JIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008996875 554858197 /nfs/dbraw/zinc/85/81/97/554858197.db2.gz IVSHDPLGVPSZTB-OAQYLSRUSA-N 0 1 463.446 4.461 50 30 JIEAMN COc1ccc(NC2=C[C@](C)(O)[C@@H](C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2C(C)=O)cc1 ZINC000013140492 555337396 /nfs/dbraw/zinc/33/73/96/555337396.db2.gz LNGCPQVDISZYLW-GSDHBNRESA-N 0 1 453.535 4.111 50 30 JIEAMN C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000013839254 555630979 /nfs/dbraw/zinc/63/09/79/555630979.db2.gz NPVOEZOOYXZXPC-HXUWFJFHSA-N 0 1 463.519 4.497 50 30 JIEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020190952 555692096 /nfs/dbraw/zinc/69/20/96/555692096.db2.gz CEHHGDDTATWNAM-DEOSSOPVSA-N 0 1 480.580 4.424 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Cl)c3)oc21 ZINC000020219195 555713475 /nfs/dbraw/zinc/71/34/75/555713475.db2.gz SJZCNUOVHVRGQN-HXUWFJFHSA-N 0 1 454.910 4.235 50 30 JIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020219763 555715859 /nfs/dbraw/zinc/71/58/59/555715859.db2.gz DGVSZQLBJGPVSV-NRFANRHFSA-N 0 1 485.378 4.154 50 30 JIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020219763 555715862 /nfs/dbraw/zinc/71/58/62/555715862.db2.gz DGVSZQLBJGPVSV-NRFANRHFSA-N 0 1 485.378 4.154 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020231569 555721756 /nfs/dbraw/zinc/72/17/56/555721756.db2.gz GSXSBBYDDXTOQP-HSZRJFAPSA-N 0 1 452.551 4.014 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000020262852 555745169 /nfs/dbraw/zinc/74/51/69/555745169.db2.gz QQZMTZCUCRWDCU-QHCPKHFHSA-N 0 1 484.980 4.039 50 30 JIEAMN Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020263928 555746155 /nfs/dbraw/zinc/74/61/55/555746155.db2.gz QHLLPLVIMRLNEX-VWLOTQADSA-N 0 1 490.556 4.186 50 30 JIEAMN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(C)cc2[O-])[C@H]1c1ccc(OC)cc1 ZINC000020309970 555767709 /nfs/dbraw/zinc/76/77/09/555767709.db2.gz NKOLTJXNAWKTKB-XMMPIXPASA-N 0 1 466.578 4.328 50 30 JIEAMN 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CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000013427175 555400183 /nfs/dbraw/zinc/40/01/83/555400183.db2.gz NYSGSNCESRAURC-RUZDIDTESA-N 0 1 478.589 4.003 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020219482 555714842 /nfs/dbraw/zinc/71/48/42/555714842.db2.gz YKYNWLQFHFRCGO-OAQYLSRUSA-N 0 1 487.394 4.378 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020219482 555714843 /nfs/dbraw/zinc/71/48/43/555714843.db2.gz YKYNWLQFHFRCGO-OAQYLSRUSA-N 0 1 487.394 4.378 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020219764 555715783 /nfs/dbraw/zinc/71/57/83/555715783.db2.gz DGVSZQLBJGPVSV-OAQYLSRUSA-N 0 1 485.378 4.154 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020219764 555715784 /nfs/dbraw/zinc/71/57/84/555715784.db2.gz DGVSZQLBJGPVSV-OAQYLSRUSA-N 0 1 485.378 4.154 50 30 JIEAMN 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C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000016734444 556155574 /nfs/dbraw/zinc/15/55/74/556155574.db2.gz XYLIHCXFTRCBRO-DEOSSOPVSA-N 0 1 484.508 4.212 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c(OC)c1 ZINC000016750533 556157209 /nfs/dbraw/zinc/15/72/09/556157209.db2.gz MHQHWLIPIJNGML-IVCQMTBJSA-N 0 1 486.524 4.201 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016805745 556161981 /nfs/dbraw/zinc/16/19/81/556161981.db2.gz GDYBPRYVEBGVKF-XMMPIXPASA-N 0 1 473.529 4.125 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000017138146 556224509 /nfs/dbraw/zinc/22/45/09/556224509.db2.gz WHDCDTIKZVGXJP-IBGZPJMESA-N 0 1 452.488 4.039 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000026459205 556254559 /nfs/dbraw/zinc/25/45/59/556254559.db2.gz XMPNQMCZYZYCNW-JOCHJYFZSA-N 0 1 450.466 4.272 50 30 JIEAMN 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C=CCOC[C@H](O)C[N@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1 ZINC000169680081 569870028 /nfs/dbraw/zinc/87/00/28/569870028.db2.gz IJURBRCWDOPREM-AREMUKBSSA-N 0 1 491.632 4.306 50 30 JIEAMN C=CCC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245279536 570061579 /nfs/dbraw/zinc/06/15/79/570061579.db2.gz HGBNFYNDSCZVID-GGBSJPMNSA-N 0 1 498.689 4.369 50 30 JIEAMN C=CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)C ZINC000245326049 570064459 /nfs/dbraw/zinc/06/44/59/570064459.db2.gz CVNQYCLABCKLRO-NZQKXSOJSA-N 0 1 493.069 4.180 50 30 JIEAMN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](C)CCc3ccccc3)C1=O)O2 ZINC000263585684 570171207 /nfs/dbraw/zinc/17/12/07/570171207.db2.gz LIASCBQRFUFWTB-MKMKVZSJSA-N 0 1 475.541 4.180 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102368832 130122743 /nfs/dbraw/zinc/12/27/43/130122743.db2.gz PPCZYGOSPZZEOR-WOOAAIBNSA-N 0 1 453.495 4.399 50 30 JIEAMN 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CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000017138144 556224117 /nfs/dbraw/zinc/22/41/17/556224117.db2.gz WHDCDTIKZVGXJP-LJQANCHMSA-N 0 1 452.488 4.039 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000026459211 556254462 /nfs/dbraw/zinc/25/44/62/556254462.db2.gz XMPNQMCZYZYCNW-QFIPXVFZSA-N 0 1 450.466 4.272 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000027020881 556270765 /nfs/dbraw/zinc/27/07/65/556270765.db2.gz PSVQASWXCDFDET-HXUWFJFHSA-N 0 1 478.328 4.379 50 30 JIEAMN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000013123303 556339383 /nfs/dbraw/zinc/33/93/83/556339383.db2.gz HDWLOUQIUSCUEJ-QKFKETGDSA-N 0 1 461.470 4.096 50 30 JIEAMN COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC(C)=O ZINC000019682345 556359743 /nfs/dbraw/zinc/35/97/43/556359743.db2.gz WOVMFNKIOQCQAO-RDRPBHBLSA-N 0 1 471.557 4.351 50 30 JIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000095006833 569721572 /nfs/dbraw/zinc/72/15/72/569721572.db2.gz KBAJBUPJXHWFPF-JOCHJYFZSA-N 0 1 481.936 4.222 50 30 JIEAMN C#CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346390 569769717 /nfs/dbraw/zinc/76/97/17/569769717.db2.gz NBDOWWNGHAFNJW-QHCPKHFHSA-N 0 1 451.542 4.335 50 30 JIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1 ZINC000101062497 569780818 /nfs/dbraw/zinc/78/08/18/569780818.db2.gz ARVZGCWTQPNWLS-YDJIHCHBSA-N 0 1 466.335 4.158 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000101287373 569789467 /nfs/dbraw/zinc/78/94/67/569789467.db2.gz IVSODWUNBGAPAB-NXLSWJSLSA-N 0 1 496.991 4.049 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000101287324 569789509 /nfs/dbraw/zinc/78/95/09/569789509.db2.gz IROKQKOLEMJTFG-SBXHHDGASA-N 0 1 457.530 4.268 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101294104 569789923 /nfs/dbraw/zinc/78/99/23/569789923.db2.gz UBNOHTNURPJPRQ-NPJIAGGLSA-N 0 1 487.556 4.359 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101294302 569790006 /nfs/dbraw/zinc/79/00/06/569790006.db2.gz TWIZTOUVGOAWQD-HUPAGYGUSA-N 0 1 499.567 4.283 50 30 JIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102169774 569810613 /nfs/dbraw/zinc/81/06/13/569810613.db2.gz JGQOXBXKNZWAPA-CJJGVWJISA-N 0 1 492.616 4.174 50 30 JIEAMN COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)c1OC ZINC000102869725 569825809 /nfs/dbraw/zinc/82/58/09/569825809.db2.gz ATNBPQMGGLBSJA-JBCNATCCSA-N 0 1 460.442 4.373 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1Cl ZINC000102874050 569826281 /nfs/dbraw/zinc/82/62/81/569826281.db2.gz GQHKTYIKPUPYIV-MRJHHRETSA-N 0 1 451.910 4.057 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102928196 569827107 /nfs/dbraw/zinc/82/71/07/569827107.db2.gz JYKKIIZMCYLLQK-CJJGVWJISA-N 0 1 492.616 4.353 50 30 JIEAMN COc1cccc(C[NH+]=C(Nc2cccc(C(=O)[O-])c2)N2CCN([C@H](C)CC(C)C)CC2)c1 ZINC000046022070 569842493 /nfs/dbraw/zinc/84/24/93/569842493.db2.gz ADZACZCYCRPMLH-HXUWFJFHSA-N 0 1 452.599 4.223 50 30 JIEAMN C=CCC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000105003950 569849510 /nfs/dbraw/zinc/84/95/10/569849510.db2.gz BBLPRBFJJIQNHP-ZJSXRUAMSA-N 0 1 490.641 4.058 50 30 JIEAMN N#CC(c1nc2ccccc2nc1N1CCN(/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000049640928 569849954 /nfs/dbraw/zinc/84/99/54/569849954.db2.gz YYYPWEOAKNJQMS-OXVFXORMSA-N 0 1 495.608 4.461 50 30 JIEAMN COc1ccc(-c2ccc(C=NN=C3NC(=O)[C@@H](Cc4cccc([N+](=O)[O-])c4)S3)o2)cc1 ZINC000252624138 570087882 /nfs/dbraw/zinc/08/78/82/570087882.db2.gz PHGOWNKWSKYHBJ-HXUWFJFHSA-N 0 1 450.476 4.028 50 30 JIEAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(C#N)cc2)cc1OC ZINC000263585960 570171481 /nfs/dbraw/zinc/17/14/81/570171481.db2.gz OGSUOLNTIKWZON-QGZVFWFLSA-N 0 1 469.449 4.495 50 30 JIEAMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)c1 ZINC000006603382 194433288 /nfs/dbraw/zinc/43/32/88/194433288.db2.gz JVDXTLGPDAQADJ-UHFFFAOYSA-N 0 1 455.565 4.032 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102489927 130143808 /nfs/dbraw/zinc/14/38/08/130143808.db2.gz RYRREGMZKSWISX-NXLSWJSLSA-N 0 1 459.546 4.492 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102500519 130154549 /nfs/dbraw/zinc/15/45/49/130154549.db2.gz HFJUMAVISXQKMA-SBXHHDGASA-N 0 1 475.545 4.191 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000102500363 130154592 /nfs/dbraw/zinc/15/45/92/130154592.db2.gz IYKKUVSQCIGEEP-SBXHHDGASA-N 0 1 475.545 4.193 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102519162 130171787 /nfs/dbraw/zinc/17/17/87/130171787.db2.gz AXPAUSLDVBBMJK-NXLSWJSLSA-N 0 1 499.007 4.273 50 30 JIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000102521916 130174273 /nfs/dbraw/zinc/17/42/73/130174273.db2.gz BHWMWFBVDVGHFU-CZNAVJSXSA-N 0 1 486.568 4.263 50 30 JIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000102521916 130174276 /nfs/dbraw/zinc/17/42/76/130174276.db2.gz BHWMWFBVDVGHFU-CZNAVJSXSA-N 0 1 486.568 4.263 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102551488 130203598 /nfs/dbraw/zinc/20/35/98/130203598.db2.gz GIIVDLYACGQBNL-NPJIAGGLSA-N 0 1 471.509 4.478 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102715307 130261707 /nfs/dbraw/zinc/26/17/07/130261707.db2.gz PRNZFAFXNSEYGN-GROYHEBESA-N 0 1 452.463 4.004 50 30 JIEAMN 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COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000102803688 130311446 /nfs/dbraw/zinc/31/14/46/130311446.db2.gz VBEFJESYDTYJSH-NHFXJNLRSA-N 0 1 465.531 4.269 50 30 JIEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102881925 130359545 /nfs/dbraw/zinc/35/95/45/130359545.db2.gz NQYWURCOAAEYCJ-BUANBSPESA-N 0 1 474.605 4.232 50 30 JIEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102892243 130374505 /nfs/dbraw/zinc/37/45/05/130374505.db2.gz QETOEYWJALGRFZ-ONDFOOFZSA-N 0 1 478.589 4.172 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102893932 130376116 /nfs/dbraw/zinc/37/61/16/130376116.db2.gz HBBCAIOEWJQLRB-NXLSWJSLSA-N 0 1 457.482 4.088 50 30 JIEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000102895248 130377413 /nfs/dbraw/zinc/37/74/13/130377413.db2.gz ZQOIYMFUBKRUDB-YJBPAFNHSA-N 0 1 487.556 4.117 50 30 JIEAMN 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CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000009993799 520329487 /nfs/dbraw/zinc/32/94/87/520329487.db2.gz XLBZGVSCCSUKKQ-DEOSSOPVSA-N 0 1 499.007 4.348 50 30 JIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009459649 520783977 /nfs/dbraw/zinc/78/39/77/520783977.db2.gz GOXRRMAMRPIUHV-VWLOTQADSA-N 0 1 487.508 4.341 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000009271254 520859084 /nfs/dbraw/zinc/85/90/84/520859084.db2.gz BGIXCHWUDRYJOC-QHCPKHFHSA-N 0 1 454.542 4.453 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000009046646 520861002 /nfs/dbraw/zinc/86/10/02/520861002.db2.gz NOILVLBYOWMHAR-HSZRJFAPSA-N 0 1 481.549 4.222 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccco2)cc1 ZINC000009301920 520880670 /nfs/dbraw/zinc/88/06/70/520880670.db2.gz DUEABONBODTLLN-QGZVFWFLSA-N 0 1 468.487 4.013 50 30 JIEAMN 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CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009008137 554862222 /nfs/dbraw/zinc/86/22/22/554862222.db2.gz NAJBBQDLHNZIOG-JBCNATCCSA-N 0 1 487.394 4.221 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000013427177 555400254 /nfs/dbraw/zinc/40/02/54/555400254.db2.gz NYSGSNCESRAURC-VWLOTQADSA-N 0 1 478.589 4.003 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020168404 555678862 /nfs/dbraw/zinc/67/88/62/555678862.db2.gz SGWYWXPKWAMHEA-SANMLTNESA-N 0 1 490.600 4.169 50 30 JIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000020192573 555693725 /nfs/dbraw/zinc/69/37/25/555693725.db2.gz ADGPRYVLSLQWSZ-XMMPIXPASA-N 0 1 482.577 4.023 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(Cl)c3)oc21 ZINC000020219196 555713410 /nfs/dbraw/zinc/71/34/10/555713410.db2.gz SJZCNUOVHVRGQN-FQEVSTJZSA-N 0 1 454.910 4.235 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Cl)cc3)oc21 ZINC000020219884 555716468 /nfs/dbraw/zinc/71/64/68/555716468.db2.gz KMTRIWRIUHROAS-FQEVSTJZSA-N 0 1 454.910 4.235 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000020263602 555745866 /nfs/dbraw/zinc/74/58/66/555745866.db2.gz WGMNEMJMOBNOCR-DEOSSOPVSA-N 0 1 464.562 4.180 50 30 JIEAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000011332699 555773542 /nfs/dbraw/zinc/77/35/42/555773542.db2.gz KZCGBLLYFAFSDX-GOSISDBHSA-N 0 1 477.542 4.160 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000024080976 556119569 /nfs/dbraw/zinc/11/95/69/556119569.db2.gz LSZITLPESBZLSB-DEOSSOPVSA-N 0 1 464.562 4.098 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024081120 556119823 /nfs/dbraw/zinc/11/98/23/556119823.db2.gz IKJRKBOVLZZLHV-JOCHJYFZSA-N 0 1 454.954 4.353 50 30 JIEAMN 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Cn1c2ccccc2nc1[C@@H](C#N)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003450769 194329016 /nfs/dbraw/zinc/32/90/16/194329016.db2.gz SESOWESCYUVAJE-NRFANRHFSA-N 0 1 492.988 4.294 50 30 JIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000012615834 195055029 /nfs/dbraw/zinc/05/50/29/195055029.db2.gz KCFDZRBCUBDEGJ-RUZDIDTESA-N 0 1 496.579 4.079 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000096295641 130051155 /nfs/dbraw/zinc/05/11/55/130051155.db2.gz KGPRPIBMQGYMCE-DEOSSOPVSA-N 0 1 475.545 4.349 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000096304927 130054864 /nfs/dbraw/zinc/05/48/64/130054864.db2.gz KFEOLAASHVMNOD-XMMPIXPASA-N 0 1 457.530 4.425 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000102368828 130122566 /nfs/dbraw/zinc/12/25/66/130122566.db2.gz PPCZYGOSPZZEOR-LFVOPCPISA-N 0 1 453.495 4.399 50 30 JIEAMN 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CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102858528 130328829 /nfs/dbraw/zinc/32/88/29/130328829.db2.gz YKJANQMZLXTUPF-UYTDBDHRSA-N 0 1 499.526 4.224 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102868768 130341908 /nfs/dbraw/zinc/34/19/08/130341908.db2.gz CTBFGPIINCLCLE-NXLSWJSLSA-N 0 1 474.513 4.207 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102885813 130366661 /nfs/dbraw/zinc/36/66/61/130366661.db2.gz QFNYVJSQLFWWRX-FYPOKDMHSA-N 0 1 487.556 4.117 50 30 JIEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102890686 130372120 /nfs/dbraw/zinc/37/21/20/130372120.db2.gz KMMMVCQGFAWLHE-CJJGVWJISA-N 0 1 492.616 4.180 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000016733141 519020242 /nfs/dbraw/zinc/02/02/42/519020242.db2.gz VQOOHECOFXRQNW-HSZRJFAPSA-N 0 1 461.493 4.256 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000009244069 519022613 /nfs/dbraw/zinc/02/26/13/519022613.db2.gz KHGNXCNZVHCQLR-XMMPIXPASA-N 0 1 486.524 4.442 50 30 JIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009292409 519061985 /nfs/dbraw/zinc/06/19/85/519061985.db2.gz XHHOJGWNHZFDBJ-VWLOTQADSA-N 0 1 484.508 4.196 50 30 JIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009312387 519062718 /nfs/dbraw/zinc/06/27/18/519062718.db2.gz MJWXKPWCJVMOCZ-XDHUDOTRSA-N 0 1 463.530 4.190 50 30 JIEAMN CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000015297567 519987627 /nfs/dbraw/zinc/98/76/27/519987627.db2.gz VXUOFDJKYGDUJI-OAQYLSRUSA-O 0 1 468.592 4.431 50 30 endogenous,in-man JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000012468593 520330558 /nfs/dbraw/zinc/33/05/58/520330558.db2.gz OSFWQVSVWAXTBR-QFIPXVFZSA-N 0 1 476.485 4.341 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000009271975 520775357 /nfs/dbraw/zinc/77/53/57/520775357.db2.gz GTFFDKGOKKTRPM-LAUBAEHRSA-N 0 1 457.910 4.202 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009361073 520860677 /nfs/dbraw/zinc/86/06/77/520860677.db2.gz JKBNAZDJNMRAPJ-XMMPIXPASA-N 0 1 482.577 4.023 50 30 JIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000009472423 522170764 /nfs/dbraw/zinc/17/07/64/522170764.db2.gz FPWDNXAGBLKWJJ-QFIPXVFZSA-N 0 1 460.461 4.094 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000009370769 522418771 /nfs/dbraw/zinc/41/87/71/522418771.db2.gz FMPMAKJVLSQQKS-GOSISDBHSA-N 0 1 466.490 4.469 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000016730491 522419498 /nfs/dbraw/zinc/41/94/98/522419498.db2.gz HFYQSVKVIGZFGT-LJQANCHMSA-N 0 1 496.516 4.477 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000009379931 523279847 /nfs/dbraw/zinc/27/98/47/523279847.db2.gz FFTMJNUBEXLGCK-FQEVSTJZSA-N 0 1 474.351 4.381 50 30 JIEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+](CCOC)CCOC)C2=O)c2ccccc21 ZINC000020663686 523303730 /nfs/dbraw/zinc/30/37/30/523303730.db2.gz OAZWAECLWGNUCO-BUVRLJJBSA-N 0 1 450.535 4.078 50 30 JIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1Br ZINC000009087468 523455278 /nfs/dbraw/zinc/45/52/78/523455278.db2.gz UPVWYFOWESLXKN-UFFVCSGVSA-N 0 1 479.356 4.287 50 30 JIEAMN COc1ccc(C(=O)N=C(Nc2ccccc2OC)N2CCN(C3CCCCC3)CC2)cc1 ZINC000015729087 523547074 /nfs/dbraw/zinc/54/70/74/523547074.db2.gz KZOCKKXVXCTWLT-UHFFFAOYSA-N 0 1 450.583 4.262 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000009178625 523562589 /nfs/dbraw/zinc/56/25/89/523562589.db2.gz YAVPUXWCUUTOOW-DEOSSOPVSA-N 0 1 474.513 4.194 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009272239 523792736 /nfs/dbraw/zinc/79/27/36/523792736.db2.gz LHYVDMYMHNPCLS-JOCHJYFZSA-N 0 1 468.506 4.163 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccnc1 ZINC000009019057 523795267 /nfs/dbraw/zinc/79/52/67/523795267.db2.gz RRPWZJQGRAAJPB-DEOSSOPVSA-N 0 1 458.514 4.194 50 30 JIEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020441034 524033697 /nfs/dbraw/zinc/03/36/97/524033697.db2.gz UNJRNZUSPPBFJU-AREMUKBSSA-N 0 1 492.616 4.337 50 30 JIEAMN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(O)c2)cc1 ZINC000009311873 525173672 /nfs/dbraw/zinc/17/36/72/525173672.db2.gz ULTCYYNIRQBUTR-AREMUKBSSA-N 0 1 486.568 4.420 50 30 JIEAMN Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009042023 525305347 /nfs/dbraw/zinc/30/53/47/525305347.db2.gz OGJMTCWSLGDCKV-IUKMQXEJSA-N 0 1 490.556 4.029 50 30 JIEAMN 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C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000006444657 554539024 /nfs/dbraw/zinc/53/90/24/554539024.db2.gz SMVGCUAJBQOBAQ-HXUWFJFHSA-N 0 1 463.515 4.203 50 30 JIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008779207 554676173 /nfs/dbraw/zinc/67/61/73/554676173.db2.gz VDWFEIKQMTWKFS-DEOSSOPVSA-N 0 1 499.007 4.428 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(OC)c2)nc1C ZINC000008779285 554676277 /nfs/dbraw/zinc/67/62/77/554676277.db2.gz RZNHXAJGWHNWMG-MRXNPFEDSA-N 0 1 470.528 4.091 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008779530 554676863 /nfs/dbraw/zinc/67/68/63/554676863.db2.gz BBXWMBWXMRYLSG-HSZRJFAPSA-N 0 1 484.980 4.039 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000008816713 554698784 /nfs/dbraw/zinc/69/87/84/554698784.db2.gz QNVBEJMESCEMAY-LJQANCHMSA-N 0 1 480.502 4.325 50 30 JIEAMN 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CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102076676 569809422 /nfs/dbraw/zinc/80/94/22/569809422.db2.gz OQMIVSKGJCAITR-ONLXDWTESA-N 0 1 492.616 4.418 50 30 JIEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000102861173 569824999 /nfs/dbraw/zinc/82/49/99/569824999.db2.gz NNUOVDOYJUQADF-WZLGSTDNSA-N 0 1 465.546 4.257 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102872082 569826008 /nfs/dbraw/zinc/82/60/08/569826008.db2.gz AQWWMWXXXLUFPR-MOBKVPTQSA-N 0 1 490.468 4.381 50 30 JIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)c1 ZINC000102930768 569828272 /nfs/dbraw/zinc/82/82/72/569828272.db2.gz HQKXJNMBLHODTF-JBCNATCCSA-N 0 1 451.910 4.057 50 30 JIEAMN CCc1ccc(S(=O)(=O)NC2=CC(=Nc3ccccc3C(=O)OC)C(=O)c3ccccc32)cc1 ZINC000103746327 569837693 /nfs/dbraw/zinc/83/76/93/569837693.db2.gz YATBVUQPBHFWAK-WEMUOSSPSA-N 0 1 474.538 4.406 50 30 JIEAMN 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Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000102490576 130144885 /nfs/dbraw/zinc/14/48/85/130144885.db2.gz YKMFYFFJOURUHU-NPJIAGGLSA-N 0 1 486.616 4.462 50 30 JIEAMN Cc1c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cnn1-c1ccccc1 ZINC000102506081 130160494 /nfs/dbraw/zinc/16/04/94/130160494.db2.gz MTVWKXCOMYBYOL-NPJIAGGLSA-N 0 1 472.589 4.287 50 30 JIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102522245 130174308 /nfs/dbraw/zinc/17/43/08/130174308.db2.gz VLCPLJQOAREKFD-XCSSDTEYSA-N 0 1 497.547 4.461 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000102528881 130181821 /nfs/dbraw/zinc/18/18/21/130181821.db2.gz ZQZYDCBSKSAHSR-SBXHHDGASA-N 0 1 450.579 4.466 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102534828 130189294 /nfs/dbraw/zinc/18/92/94/130189294.db2.gz CTTHMKOBESGZRX-ZHHPLPSFSA-N 0 1 481.549 4.065 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102560744 130209056 /nfs/dbraw/zinc/20/90/56/130209056.db2.gz FGTJGKJDCYJLNB-ZHHPLPSFSA-N 0 1 469.534 4.038 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102571547 130214383 /nfs/dbraw/zinc/21/43/83/130214383.db2.gz QCTPWGBCUSQMQS-LDQGIYSBSA-N 0 1 467.934 4.450 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)nc1C ZINC000102609505 130222940 /nfs/dbraw/zinc/22/29/40/130222940.db2.gz SYSCGTICYKCBPW-LFVOPCPISA-N 0 1 493.541 4.047 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102644612 130229708 /nfs/dbraw/zinc/22/97/08/130229708.db2.gz STUCLNZQANABFV-IYGWJSLMSA-N 0 1 463.530 4.033 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)nc1C ZINC000102697313 130243569 /nfs/dbraw/zinc/24/35/69/130243569.db2.gz DAAFSLBYPUFKGJ-GROYHEBESA-N 0 1 452.488 4.074 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102704380 130249771 /nfs/dbraw/zinc/24/97/71/130249771.db2.gz WSZKKMYQDRATSY-AYWGPLOBSA-N 0 1 478.501 4.414 50 30 JIEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102725287 130269921 /nfs/dbraw/zinc/26/99/21/130269921.db2.gz CZBCEJQTAGBZMI-NHFXJNLRSA-N 0 1 454.866 4.280 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2F)nc1C ZINC000102803299 130310805 /nfs/dbraw/zinc/31/08/05/130310805.db2.gz FNVNOMDRBFJXMI-SELCWUDQSA-N 0 1 482.489 4.012 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102803375 130311280 /nfs/dbraw/zinc/31/12/80/130311280.db2.gz GIPZFWBVXAAYQI-ZHHPLPSFSA-N 0 1 474.513 4.119 50 30 JIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102856538 130326513 /nfs/dbraw/zinc/32/65/13/130326513.db2.gz MFTUZVNBHIGGKV-SBXHHDGASA-N 0 1 462.590 4.046 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102868228 130341381 /nfs/dbraw/zinc/34/13/81/130341381.db2.gz ALNDMSZYUNXJQA-IUKMQXEJSA-N 0 1 487.508 4.097 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102881281 130358257 /nfs/dbraw/zinc/35/82/57/130358257.db2.gz CXBGEFQDKYMSOI-LFVOPCPISA-N 0 1 496.516 4.402 50 30 JIEAMN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102881929 130359353 /nfs/dbraw/zinc/35/93/53/130359353.db2.gz NQYWURCOAAEYCJ-COUQNMRISA-N 0 1 474.605 4.232 50 30 JIEAMN C=CCN1C(=O)C(=C(S)N(CC)c2ccccc2C)S/C1=N\S(=O)(=O)c1ccccc1 ZINC000011859585 518822198 /nfs/dbraw/zinc/82/21/98/518822198.db2.gz BYPPWDATEMCKEA-WFAAQJSFSA-N 0 1 473.645 4.427 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009177801 519020846 /nfs/dbraw/zinc/02/08/46/519020846.db2.gz WQKIGPQUJIEKOE-QHCPKHFHSA-N 0 1 461.493 4.256 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000011914613 519762241 /nfs/dbraw/zinc/76/22/41/519762241.db2.gz HDKRKNITQPZAIF-HXUWFJFHSA-N 0 1 474.351 4.055 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccco2)cc1 ZINC000009302106 520330393 /nfs/dbraw/zinc/33/03/93/520330393.db2.gz BPUQCDUNUUGUDN-GOSISDBHSA-N 0 1 482.514 4.403 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000009358043 520774785 /nfs/dbraw/zinc/77/47/85/520774785.db2.gz KOZHVHCIOWKLIV-XMMPIXPASA-N 0 1 483.561 4.441 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009244295 520859540 /nfs/dbraw/zinc/85/95/40/520859540.db2.gz VHRPXXGWNHGVQX-DEOSSOPVSA-N 0 1 482.577 4.023 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009380480 520859680 /nfs/dbraw/zinc/85/96/80/520859680.db2.gz CXVXMTIRHJEUNI-XMMPIXPASA-N 0 1 483.561 4.416 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000009993602 520873598 /nfs/dbraw/zinc/87/35/98/520873598.db2.gz WBFSMAAWBQVSTF-DEOSSOPVSA-N 0 1 499.007 4.348 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000009715036 520875978 /nfs/dbraw/zinc/87/59/78/520875978.db2.gz WKDXLVZSVKDLSA-QHCPKHFHSA-N 0 1 469.534 4.107 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000009353796 521234863 /nfs/dbraw/zinc/23/48/63/521234863.db2.gz QWNOYNSVTBBQFJ-NPJIAGGLSA-N 0 1 496.604 4.112 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC ZINC000009354347 521239410 /nfs/dbraw/zinc/23/94/10/521239410.db2.gz VBRDNCVIKWRMJI-CRICUBBOSA-N 0 1 495.572 4.422 50 30 JIEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009312832 521414495 /nfs/dbraw/zinc/41/44/95/521414495.db2.gz DHCZEWBHZDTEGJ-QMHKHESXSA-N 0 1 451.519 4.024 50 30 JIEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009374151 521424840 /nfs/dbraw/zinc/42/48/40/521424840.db2.gz DHCZEWBHZDTEGJ-HJPURHCSSA-N 0 1 451.519 4.024 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000009174467 521611530 /nfs/dbraw/zinc/61/15/30/521611530.db2.gz BAYHLJUQUAAWMY-SFHVURJKSA-N 0 1 493.497 4.319 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000009334412 521611876 /nfs/dbraw/zinc/61/18/76/521611876.db2.gz GEJTVGQARXMZBZ-SFHVURJKSA-N 0 1 498.513 4.021 50 30 JIEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000009310456 521996527 /nfs/dbraw/zinc/99/65/27/521996527.db2.gz XXUHADVASSMVII-LPYMAVHISA-N 0 1 484.515 4.427 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000009008690 522422000 /nfs/dbraw/zinc/42/20/00/522422000.db2.gz KCWXBKFOUHNSKY-IBGZPJMESA-N 0 1 496.516 4.477 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Br)cc1 ZINC000009019063 523281156 /nfs/dbraw/zinc/28/11/56/523281156.db2.gz NIQJDMSARBRBPA-HXUWFJFHSA-N 0 1 474.351 4.381 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000013553061 523560382 /nfs/dbraw/zinc/56/03/82/523560382.db2.gz IATAPRNHFQIQQT-RUZDIDTESA-N 0 1 492.616 4.212 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009357380 523561482 /nfs/dbraw/zinc/56/14/82/523561482.db2.gz AVHQGGVHJPELHE-AZUAARDMSA-N 0 1 472.335 4.215 50 30 JIEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020461488 524033772 /nfs/dbraw/zinc/03/37/72/524033772.db2.gz RSSDXCRPFRKGAB-XMMPIXPASA-N 0 1 450.579 4.424 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(C)s4)[C@@H]3c3cccc(O)c3)oc21 ZINC000009662832 524256863 /nfs/dbraw/zinc/25/68/63/524256863.db2.gz GOXSMHOPCCZUCY-GOSISDBHSA-N 0 1 463.471 4.090 50 30 JIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000015837092 524975680 /nfs/dbraw/zinc/97/56/80/524975680.db2.gz WTHPMRUPNWPKMT-SSOJOUAXSA-N 0 1 469.541 4.250 50 30 JIEAMN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000009313125 525173270 /nfs/dbraw/zinc/17/32/70/525173270.db2.gz LMWDVAPFJMHALB-SANMLTNESA-N 0 1 486.568 4.420 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009046514 525221796 /nfs/dbraw/zinc/22/17/96/525221796.db2.gz WAHGVLWOMKIOAM-JOCHJYFZSA-N 0 1 481.936 4.222 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009461143 525387824 /nfs/dbraw/zinc/38/78/24/525387824.db2.gz YTLCURQIZPRPKS-FQEVSTJZSA-N 0 1 454.866 4.437 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009470921 525390377 /nfs/dbraw/zinc/39/03/77/525390377.db2.gz WDTGMYCTPDRRFF-VWLOTQADSA-N 0 1 471.509 4.287 50 30 JIEAMN Oc1c(I)cc(I)cc1/C=N/Cc1ccc(F)cc1 ZINC000008648693 526330534 /nfs/dbraw/zinc/33/05/34/526330534.db2.gz LZEJMIKQANZQBT-QGMBQPNBSA-N 0 1 481.046 4.360 50 30 JIEAMN O=C(C(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000012285368 527663554 /nfs/dbraw/zinc/66/35/54/527663554.db2.gz XZSLNBAJCBHUKM-UHFFFAOYSA-N 0 1 490.566 4.478 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000096304923 535254299 /nfs/dbraw/zinc/25/42/99/535254299.db2.gz RPELOEFHLQIZKA-XMMPIXPASA-N 0 1 475.545 4.349 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102496243 535417009 /nfs/dbraw/zinc/41/70/09/535417009.db2.gz WURQLFHJNPSEOJ-SBXHHDGASA-N 0 1 475.545 4.111 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(O)c1 ZINC000102710220 536854765 /nfs/dbraw/zinc/85/47/65/536854765.db2.gz QJGKFBHQYUROPH-NPJIAGGLSA-N 0 1 473.525 4.348 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 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452.551 4.014 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000020263605 555745837 /nfs/dbraw/zinc/74/58/37/555745837.db2.gz WGMNEMJMOBNOCR-XMMPIXPASA-N 0 1 464.562 4.180 50 30 JIEAMN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2[O-])[C@H]1c1cccc(OC)c1OC ZINC000020310756 555769575 /nfs/dbraw/zinc/76/95/75/555769575.db2.gz GZELSNIFVOSCBA-HSZRJFAPSA-N 0 1 482.577 4.028 50 30 JIEAMN CSCCc1[nH]c(NC(=O)CSc2nc(Cc3ccc(O)cc3)c(C)[nH]2)c(C#N)c1C ZINC000015082112 555872946 /nfs/dbraw/zinc/87/29/46/555872946.db2.gz ZDDSBHDROJMBDJ-UHFFFAOYSA-N 0 1 455.609 4.159 50 30 JIEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000015934750 556071956 /nfs/dbraw/zinc/07/19/56/556071956.db2.gz JMJWSAHSDDBMRD-BVZFJXPGSA-N 0 1 487.556 4.274 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000024081332 556120186 /nfs/dbraw/zinc/12/01/86/556120186.db2.gz XMGYDBGXGBGGLQ-XMMPIXPASA-N 0 1 464.562 4.098 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000024303494 556128871 /nfs/dbraw/zinc/12/88/71/556128871.db2.gz VYPCIPLSAWMFJK-QFIPXVFZSA-N 0 1 454.954 4.353 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000024303494 556128872 /nfs/dbraw/zinc/12/88/72/556128872.db2.gz VYPCIPLSAWMFJK-QFIPXVFZSA-N 0 1 454.954 4.353 50 30 JIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)C[C@H](C)O3)C(=O)C(=O)N1Cc1ccncc1 ZINC000016750522 556157223 /nfs/dbraw/zinc/15/72/23/556157223.db2.gz VFZPAWDUOPCYNS-UPCLLVRISA-N 0 1 456.498 4.192 50 30 JIEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccncc1 ZINC000017138338 556224419 /nfs/dbraw/zinc/22/44/19/556224419.db2.gz LYVKLQHOKAEWGG-VWLOTQADSA-N 0 1 471.557 4.109 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)nc1C ZINC000017180526 556234636 /nfs/dbraw/zinc/23/46/36/556234636.db2.gz NGKBAGRGSKVRHF-MRXNPFEDSA-N 0 1 454.529 4.473 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000018178486 556298802 /nfs/dbraw/zinc/29/88/02/556298802.db2.gz TUYNTUDTTUOBSW-QHCPKHFHSA-N 0 1 494.500 4.190 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000027988886 556311312 /nfs/dbraw/zinc/31/13/12/556311312.db2.gz XUYDUMWTCHQKEO-QHCPKHFHSA-N 0 1 471.469 4.333 50 30 JIEAMN COc1cccc(C(=O)N=C(Nc2ccccc2OC)N2CCN(C3CCCCC3)CC2)c1 ZINC000032946153 556560949 /nfs/dbraw/zinc/56/09/49/556560949.db2.gz MHHZDFIXRJFIJI-UHFFFAOYSA-N 0 1 450.583 4.262 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000091323622 569721253 /nfs/dbraw/zinc/72/12/53/569721253.db2.gz IDGZUNHKYWVKJL-NRFANRHFSA-N 0 1 496.361 4.323 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000095011315 569721557 /nfs/dbraw/zinc/72/15/57/569721557.db2.gz AZMDVARSTVDJAA-OAQYLSRUSA-N 0 1 451.910 4.214 50 30 JIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000096101671 569732662 /nfs/dbraw/zinc/73/26/62/569732662.db2.gz BERQMSCVAIODJO-XMMPIXPASA-N 0 1 475.545 4.349 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000096101670 569732780 /nfs/dbraw/zinc/73/27/80/569732780.db2.gz NSIDLOVOSFPURQ-DEOSSOPVSA-N 0 1 473.529 4.125 50 30 JIEAMN C=CCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340250 569763734 /nfs/dbraw/zinc/76/37/34/569763734.db2.gz KKGRTPWUFLVJKQ-RUZDIDTESA-N 0 1 487.604 4.400 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000101062632 569780767 /nfs/dbraw/zinc/78/07/67/569780767.db2.gz CRJIIJQKVTWQSJ-IBOXJLQUSA-N 0 1 486.303 4.440 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000101072895 569781397 /nfs/dbraw/zinc/78/13/97/569781397.db2.gz GSDAFPYGKNTDNK-GHNGSUTGSA-N 0 1 499.342 4.303 50 30 JIEAMN 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C=CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000012363100 519013198 /nfs/dbraw/zinc/01/31/98/519013198.db2.gz RXAGSQRQGUYOFT-ATVHPVEESA-N 0 1 487.375 4.244 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000016735119 519021453 /nfs/dbraw/zinc/02/14/53/519021453.db2.gz LJFQUJREXYBYIR-XMMPIXPASA-N 0 1 481.545 4.274 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC ZINC000009357305 519048875 /nfs/dbraw/zinc/04/88/75/519048875.db2.gz DHRTWNFSPLLZCT-GKVSMKOHSA-N 0 1 493.556 4.198 50 30 JIEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009302103 519048908 /nfs/dbraw/zinc/04/89/08/519048908.db2.gz CUWNSJSFRIMVKF-NPJIAGGLSA-N 0 1 488.584 4.484 50 30 JIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000009160613 519761915 /nfs/dbraw/zinc/76/19/15/519761915.db2.gz JTBSIKFGGOFLGC-RUZDIDTESA-N 0 1 478.589 4.022 50 30 JIEAMN 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CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009071231 519782083 /nfs/dbraw/zinc/78/20/83/519782083.db2.gz JOAVWEXXFXMQAV-QHCPKHFHSA-N 0 1 463.509 4.478 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC ZINC000009312715 520431921 /nfs/dbraw/zinc/43/19/21/520431921.db2.gz GMERRSOUJWYNHS-GKVSMKOHSA-N 0 1 495.572 4.422 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000009109360 520466880 /nfs/dbraw/zinc/46/68/80/520466880.db2.gz YWBDTIKTJHASFI-OAQYLSRUSA-N 0 1 493.541 4.189 50 30 JIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009312836 520468421 /nfs/dbraw/zinc/46/84/21/520468421.db2.gz GLFFVDBUUNTMSN-MZNJEOGPSA-N 0 1 465.546 4.414 50 30 JIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000009312038 520773267 /nfs/dbraw/zinc/77/32/67/520773267.db2.gz IFKMQDFUZKYWOQ-NPJIAGGLSA-N 0 1 496.604 4.117 50 30 JIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000009271976 520783420 /nfs/dbraw/zinc/78/34/20/520783420.db2.gz GTFFDKGOKKTRPM-UWJYYQICSA-N 0 1 457.910 4.202 50 30 JIEAMN CCOc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000011865351 520849406 /nfs/dbraw/zinc/84/94/06/520849406.db2.gz RKMRXWQWOIRPOQ-MYBWFIKISA-N 0 1 484.552 4.188 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009275727 520858609 /nfs/dbraw/zinc/85/86/09/520858609.db2.gz SVHUVTSETCJUKI-QHCPKHFHSA-N 0 1 469.534 4.113 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000009993574 520874138 /nfs/dbraw/zinc/87/41/38/520874138.db2.gz RVUSCVIZHAPWST-RUZDIDTESA-N 0 1 478.589 4.003 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000009240682 521235919 /nfs/dbraw/zinc/23/59/19/521235919.db2.gz QGUHGEVNQDYWSX-OAQYLSRUSA-N 0 1 459.926 4.362 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC ZINC000009354308 521238774 /nfs/dbraw/zinc/23/87/74/521238774.db2.gz AAJFOCOTDMVLBZ-UPCLLVRISA-N 0 1 481.545 4.032 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000016729329 521267296 /nfs/dbraw/zinc/26/72/96/521267296.db2.gz MJBFLUMECPPWSI-QHCPKHFHSA-N 0 1 462.477 4.407 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccnc2)nc1C ZINC000006089516 521611944 /nfs/dbraw/zinc/61/19/44/521611944.db2.gz XALHTWOOJIPFFB-LJQANCHMSA-N 0 1 493.541 4.123 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccnc2)nc1C ZINC000009046518 521612117 /nfs/dbraw/zinc/61/21/17/521612117.db2.gz HMPCCSGNXPIVOO-IBGZPJMESA-N 0 1 493.541 4.123 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)o2)nc1C ZINC000009042846 522418849 /nfs/dbraw/zinc/41/88/49/522418849.db2.gz MUSPMKMWEFKJFE-QGZVFWFLSA-N 0 1 452.488 4.231 50 30 JIEAMN 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CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009359215 524051840 /nfs/dbraw/zinc/05/18/40/524051840.db2.gz FAWWWCACPHUGRF-NXLSWJSLSA-N 0 1 450.579 4.267 50 30 JIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000010013889 524170431 /nfs/dbraw/zinc/17/04/31/524170431.db2.gz RHKNDDNJJWOEEM-NRFANRHFSA-N 0 1 451.910 4.214 50 30 JIEAMN Cc1cccc2c1nc1nc([N-]N=Cc3cc(Br)cc(Br)c3O)[nH+][nH]c2-1 ZINC000008397172 524969969 /nfs/dbraw/zinc/96/99/69/524969969.db2.gz NGLCXXSVNNILTC-SCDVKCJHSA-N 0 1 476.132 4.491 50 30 JIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(O)cc2)no1 ZINC000009461033 525046054 /nfs/dbraw/zinc/04/60/54/525046054.db2.gz BZCSECPMVBCABW-SFHVURJKSA-N 0 1 455.264 4.234 50 30 JIEAMN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000015880047 525390032 /nfs/dbraw/zinc/39/00/32/525390032.db2.gz HXAOBLAGCFZBGP-CPJLOUKISA-N 0 1 486.524 4.201 50 30 JIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000009178655 525781284 /nfs/dbraw/zinc/78/12/84/525781284.db2.gz RPKNZZZTFGJAMT-NRFANRHFSA-N 0 1 496.361 4.323 50 30 JIEAMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000005941947 526088355 /nfs/dbraw/zinc/08/83/55/526088355.db2.gz NXRFUMQJFJBCLX-UHFFFAOYSA-N 0 1 482.543 4.378 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000009223169 526272109 /nfs/dbraw/zinc/27/21/09/526272109.db2.gz LQWWIJOJLPEZFS-GOSISDBHSA-N 0 1 499.342 4.460 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000016806162 526353957 /nfs/dbraw/zinc/35/39/57/526353957.db2.gz XXHSIZSTHSCMNS-SFHVURJKSA-N 0 1 462.443 4.284 50 30 JIEAMN N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1 ZINC000009353171 526491499 /nfs/dbraw/zinc/49/14/99/526491499.db2.gz PGOBQKKQYBFBRY-JOCHJYFZSA-N 0 1 454.578 4.012 50 30 JIEAMN N#CC(c1nc2ccccc2s1)c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1 ZINC000043198519 526497817 /nfs/dbraw/zinc/49/78/17/526497817.db2.gz XCPPIJCBCWUBNT-HXUWFJFHSA-N 0 1 457.559 4.153 50 30 in-man JIEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCOC)c1 ZINC000102884636 535093320 /nfs/dbraw/zinc/09/33/20/535093320.db2.gz ZNFNRIPAOWSBET-SBXHHDGASA-N 0 1 481.545 4.095 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102882760 535284311 /nfs/dbraw/zinc/28/43/11/535284311.db2.gz HSSLXEZFZCTVSM-NXLSWJSLSA-N 0 1 459.546 4.492 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000102894443 536539237 /nfs/dbraw/zinc/53/92/37/536539237.db2.gz RQZKABQIIIBJKY-IUKMQXEJSA-N 0 1 495.572 4.341 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000001153507 553917483 /nfs/dbraw/zinc/91/74/83/553917483.db2.gz VXOQFSBARCNMJS-QHCPKHFHSA-N 0 1 474.513 4.194 50 30 JIEAMN CCN(CC)S(=O)(=O)c1ccc([C@@H](/C=N/O)c2ncc(C(F)(F)F)cc2Cl)s1 ZINC000001397519 553966345 /nfs/dbraw/zinc/96/63/45/553966345.db2.gz JCVSMRWDQWTWIY-LCRYFQBLSA-N 0 1 455.911 4.438 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000001467627 553976496 /nfs/dbraw/zinc/97/64/96/553976496.db2.gz HJDQXQODHUICMU-AREMUKBSSA-N 0 1 492.616 4.428 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000001470351 553976927 /nfs/dbraw/zinc/97/69/27/553976927.db2.gz KIUGISHAFNWHJH-OAQYLSRUSA-N 0 1 450.516 4.329 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008740691 554642891 /nfs/dbraw/zinc/64/28/91/554642891.db2.gz AKRFCJDEDQZKKW-GOSISDBHSA-N 0 1 482.489 4.169 50 30 JIEAMN Cc1cc(C)nc(NC(=NC(=O)Nc2ccc([N+](=O)[O-])cc2)NCCc2c[nH]c3ccccc23)n1 ZINC000008770981 554670952 /nfs/dbraw/zinc/67/09/52/554670952.db2.gz BMEOGNYYLVWAEE-UHFFFAOYSA-N 0 1 472.509 4.315 50 30 JIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008827536 554717578 /nfs/dbraw/zinc/71/75/78/554717578.db2.gz DCVHQVNBXIZCHZ-OAQYLSRUSA-N 0 1 493.362 4.433 50 30 JIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008835123 554733331 /nfs/dbraw/zinc/73/33/31/554733331.db2.gz XPMNSBYANZKYQL-NRFANRHFSA-N 0 1 475.372 4.294 50 30 JIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000008857912 554754519 /nfs/dbraw/zinc/75/45/19/554754519.db2.gz BSNUHDTYDVTJJR-DEOSSOPVSA-N 0 1 473.529 4.125 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(Br)cc3)oc21 ZINC000008921524 554818312 /nfs/dbraw/zinc/81/83/12/554818312.db2.gz FGIPUYZXPOAUGV-NHFXJNLRSA-N 0 1 499.361 4.187 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000008996662 554857678 /nfs/dbraw/zinc/85/76/78/554857678.db2.gz UNPFLTVBFDBGLC-QHCPKHFHSA-N 0 1 474.513 4.276 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000009007912 554861510 /nfs/dbraw/zinc/86/15/10/554861510.db2.gz GLUPNUZBDUBGSS-IBGZPJMESA-N 0 1 496.516 4.477 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000013570441 555508807 /nfs/dbraw/zinc/50/88/07/555508807.db2.gz DKYCJTOTHOWYIB-OAQYLSRUSA-N 0 1 452.438 4.312 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000013570527 555508908 /nfs/dbraw/zinc/50/89/08/555508908.db2.gz BAUBRLUZSULGLV-SFHVURJKSA-N 0 1 482.489 4.169 50 30 JIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Br)cc1 ZINC000020150187 555666305 /nfs/dbraw/zinc/66/63/05/555666305.db2.gz UVPLNGFZTMLTFR-HXUWFJFHSA-N 0 1 469.335 4.335 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020263237 555745469 /nfs/dbraw/zinc/74/54/69/555745469.db2.gz XFWJQZUKPHAWGD-OAQYLSRUSA-N 0 1 485.378 4.154 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000020264434 555746484 /nfs/dbraw/zinc/74/64/84/555746484.db2.gz WTQRMHFSBCXBSV-DEOSSOPVSA-N 0 1 499.007 4.383 50 30 JIEAMN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(C)cc2[O-])[C@@H]1c1ccc(OC)cc1 ZINC000020309967 555767717 /nfs/dbraw/zinc/76/77/17/555767717.db2.gz NKOLTJXNAWKTKB-DEOSSOPVSA-N 0 1 466.578 4.328 50 30 JIEAMN O=C(Nc1c(N=Nc2ccc(Cl)cc2Cl)c(=O)[nH]n1C(=O)c1ccccc1)c1ccccc1 ZINC000016949174 556183575 /nfs/dbraw/zinc/18/35/75/556183575.db2.gz BZVZMWYOKXCAMG-QGZNJFRCSA-N 0 1 480.311 4.187 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000017124024 556220591 /nfs/dbraw/zinc/22/05/91/556220591.db2.gz LCXYPQUUYRYCMR-DEOSSOPVSA-N 0 1 483.561 4.272 50 30 JIEAMN Cc1sc(-c2ccccc2)nc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(F)c1 ZINC000013081039 556278436 /nfs/dbraw/zinc/27/84/36/556278436.db2.gz XAPAAZNVXIAPKF-OAQYLSRUSA-N 0 1 465.550 4.398 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)C(=O)C(=O)N2CCOC)c1 ZINC000008384173 569589205 /nfs/dbraw/zinc/58/92/05/569589205.db2.gz SDQMNPKPDNMHGI-HSZRJFAPSA-N 0 1 451.519 4.265 50 30 JIEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008384194 569589296 /nfs/dbraw/zinc/58/92/96/569589296.db2.gz OBPBXWKAURTSCQ-AREMUKBSSA-N 0 1 492.616 4.475 50 30 JIEAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C#N)c3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035984 569652844 /nfs/dbraw/zinc/65/28/44/569652844.db2.gz ZHZMOEOJLLDBTO-UHFFFAOYSA-N 0 1 483.619 4.064 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000095190837 569721980 /nfs/dbraw/zinc/72/19/80/569721980.db2.gz YIPKJWXYPUFNLK-NRFANRHFSA-N 0 1 451.910 4.214 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000096101685 569732613 /nfs/dbraw/zinc/73/26/13/569732613.db2.gz OKNQSQVPOYNGEK-DEOSSOPVSA-N 0 1 475.545 4.349 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000096101672 569732758 /nfs/dbraw/zinc/73/27/58/569732758.db2.gz BERQMSCVAIODJO-DEOSSOPVSA-N 0 1 475.545 4.349 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000101087244 569782009 /nfs/dbraw/zinc/78/20/09/569782009.db2.gz ZKCTXQNKRTYVSQ-LFVOPCPISA-N 0 1 480.274 4.379 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101287016 569789296 /nfs/dbraw/zinc/78/92/96/569789296.db2.gz VJPGPHNUGLSALN-ZHHPLPSFSA-N 0 1 471.469 4.177 50 30 JIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101313978 569792389 /nfs/dbraw/zinc/79/23/89/569792389.db2.gz MHXIPVVEAZFIMY-IUKMQXEJSA-N 0 1 484.508 4.040 50 30 JIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000101313807 569792403 /nfs/dbraw/zinc/79/24/03/569792403.db2.gz QTUOXZNIUOPKMF-ONLXDWTESA-N 0 1 499.567 4.283 50 30 JIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)ccc1OCC(C)C ZINC000102175580 569810880 /nfs/dbraw/zinc/81/08/80/569810880.db2.gz DKIZLBWBNSUYSQ-SBXHHDGASA-N 0 1 457.530 4.442 50 30 JIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102856814 569824542 /nfs/dbraw/zinc/82/45/42/569824542.db2.gz BRUNKISQTRKERV-JBCNATCCSA-N 0 1 487.394 4.221 50 30 JIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102876234 569826587 /nfs/dbraw/zinc/82/65/87/569826587.db2.gz CNONGDKJLFDDEA-BGJULJLKSA-N 0 1 473.481 4.012 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102929621 569827802 /nfs/dbraw/zinc/82/78/02/569827802.db2.gz GLWJMKRDBQNRAW-SBXHHDGASA-N 0 1 475.545 4.193 50 30 JIEAMN CC(=O)N1CCc2c(C#N)c(NC(=O)[C@H](C)Sc3ccccc3NC(=S)NC3CC3)sc2C1 ZINC000215675362 569877310 /nfs/dbraw/zinc/87/73/10/569877310.db2.gz RWYVCWXHICSNHA-ZDUSSCGKSA-N 0 1 499.687 4.092 50 30 JIEAMN CCOc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NN=C2NC(=O)C(CC)S2)cc1 ZINC000252627074 570088546 /nfs/dbraw/zinc/08/85/46/570088546.db2.gz RLLLZYDWUOJFCA-JOCHJYFZSA-N 0 1 497.598 4.338 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(C)s4)[C@H]3c3cccc([N+](=O)[O-])c3)oc21 ZINC000006460042 194428037 /nfs/dbraw/zinc/42/80/37/194428037.db2.gz KGSBBCLDECLNNG-SFHVURJKSA-N 0 1 492.469 4.292 50 30 JIEAMN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000096279686 130024139 /nfs/dbraw/zinc/02/41/39/130024139.db2.gz PKCUYSMZECYVQR-ASSNKEHSSA-N 0 1 484.530 4.295 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)cc1OCC ZINC000102642850 130228998 /nfs/dbraw/zinc/22/89/98/130228998.db2.gz OBSCDSMUWGWNKJ-NEMSTITPSA-N 0 1 495.572 4.266 50 30 JIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)o1 ZINC000102695498 130241930 /nfs/dbraw/zinc/24/19/30/130241930.db2.gz MHAWNYQVSOYOCP-NPJIAGGLSA-N 0 1 474.557 4.459 50 30 JIEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102711371 130257706 /nfs/dbraw/zinc/25/77/06/130257706.db2.gz OPYYWZDICROHHR-CZNAVJSXSA-N 0 1 486.568 4.263 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2F)nc1C ZINC000102722899 130267873 /nfs/dbraw/zinc/26/78/73/130267873.db2.gz PSDGCVDFHJKLAE-LFVOPCPISA-N 0 1 496.516 4.402 50 30 JIEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102725283 130269953 /nfs/dbraw/zinc/26/99/53/130269953.db2.gz CZBCEJQTAGBZMI-YDJIHCHBSA-N 0 1 454.866 4.280 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000102803947 130311886 /nfs/dbraw/zinc/31/18/86/130311886.db2.gz RDSHXHVJXLZBSD-GHNGSUTGSA-N 0 1 482.489 4.012 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000102857828 130327145 /nfs/dbraw/zinc/32/71/45/130327145.db2.gz SHMUWIDWZZIPGC-MRJHHRETSA-N 0 1 459.926 4.206 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102880851 130356836 /nfs/dbraw/zinc/35/68/36/130356836.db2.gz MOOGHVZFWDDXSC-SBXHHDGASA-N 0 1 483.561 4.202 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)ccc2OC)c(C)c1 ZINC000102882125 130360164 /nfs/dbraw/zinc/36/01/64/130360164.db2.gz ZKDBDCZTMDOEEK-SBXHHDGASA-N 0 1 474.513 4.038 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)ccc2OC)c(C)c1 ZINC000102882123 130360345 /nfs/dbraw/zinc/36/03/45/130360345.db2.gz ZKDBDCZTMDOEEK-NXLSWJSLSA-N 0 1 474.513 4.038 50 30 JIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000102896880 130378881 /nfs/dbraw/zinc/37/88/81/130378881.db2.gz JPHRGWHNXAINQY-NXLSWJSLSA-N 0 1 459.473 4.261 50 30 JIEAMN C=CCC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036310162 518713130 /nfs/dbraw/zinc/71/31/30/518713130.db2.gz YZQWEOZOANQMAQ-QPPBQGQZSA-N 0 1 490.641 4.058 50 30 JIEAMN C=CCC[C@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309595 518723891 /nfs/dbraw/zinc/72/38/91/518723891.db2.gz BBLPRBFJJIQNHP-URXFXBBRSA-N 0 1 490.641 4.058 50 30 JIEAMN C=CCOC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036306954 518983761 /nfs/dbraw/zinc/98/37/61/518983761.db2.gz CQCPXIYVDDIASF-QFIPXVFZSA-N 0 1 469.557 4.030 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000009244070 519022110 /nfs/dbraw/zinc/02/21/10/519022110.db2.gz KHGNXCNZVHCQLR-DEOSSOPVSA-N 0 1 486.524 4.442 50 30 JIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000009046858 519057653 /nfs/dbraw/zinc/05/76/53/519057653.db2.gz RUFGVAQHUWMBCQ-SBXHHDGASA-N 0 1 496.991 4.049 50 30 JIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009046711 519839276 /nfs/dbraw/zinc/83/92/76/519839276.db2.gz UXLHBSPTFWFNAM-NPJIAGGLSA-N 0 1 474.557 4.310 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccnc2)cc1 ZINC000009282133 520332181 /nfs/dbraw/zinc/33/21/81/520332181.db2.gz DJGCAFICRCBBJK-IBGZPJMESA-N 0 1 493.541 4.205 50 30 JIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccnc2)cc1 ZINC000009472224 520863240 /nfs/dbraw/zinc/86/32/40/520863240.db2.gz GZGNLGQMYYHRTM-LJQANCHMSA-N 0 1 450.520 4.203 50 30 JIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000009715032 520876860 /nfs/dbraw/zinc/87/68/60/520876860.db2.gz WKDXLVZSVKDLSA-HSZRJFAPSA-N 0 1 469.534 4.107 50 30 JIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009042031 520883756 /nfs/dbraw/zinc/88/37/56/520883756.db2.gz BHGVLCAWPCAJHP-GOSISDBHSA-N 0 1 451.460 4.233 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016741343 521237925 /nfs/dbraw/zinc/23/79/25/521237925.db2.gz RZBZVPZCCBXMFW-XMMPIXPASA-N 0 1 474.513 4.276 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)cc1OCC ZINC000009354313 521238257 /nfs/dbraw/zinc/23/82/57/521238257.db2.gz AAJFOCOTDMVLBZ-VOIUYBSRSA-N 0 1 481.545 4.032 50 30 JIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000015952846 521267538 /nfs/dbraw/zinc/26/75/38/521267538.db2.gz SEDIYFLCPNQLEM-FBOFTVOISA-N 0 1 463.530 4.166 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000009175706 521611972 /nfs/dbraw/zinc/61/19/72/521611972.db2.gz PFOIKSZMTQXCAP-LJQANCHMSA-N 0 1 494.525 4.125 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)nc1C ZINC000009042845 522421050 /nfs/dbraw/zinc/42/10/50/522421050.db2.gz MUSPMKMWEFKJFE-KRWDZBQOSA-N 0 1 452.488 4.231 50 30 JIEAMN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000016247743 522920294 /nfs/dbraw/zinc/92/02/94/522920294.db2.gz MNSJSMOQPUMQTR-XMMPIXPASA-N 0 1 492.597 4.476 50 30 JIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000009380636 523278836 /nfs/dbraw/zinc/27/88/36/523278836.db2.gz KOHYNYQLKKYWRX-FQEVSTJZSA-N 0 1 474.351 4.381 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000016731238 523563512 /nfs/dbraw/zinc/56/35/12/523563512.db2.gz SXZUCOHRGOLPGP-HSZRJFAPSA-N 0 1 461.493 4.074 50 30 JIEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 ZINC000020518846 523717216 /nfs/dbraw/zinc/71/72/16/523717216.db2.gz VDOSYNGBIHOJLS-NDENLUEZSA-N 0 1 452.334 4.410 50 30 JIEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 ZINC000020533383 523720090 /nfs/dbraw/zinc/72/00/90/523720090.db2.gz ZRFQFQYCYTXXOD-NDENLUEZSA-N 0 1 452.334 4.410 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Cl)c3)oc21 ZINC000009046662 524258000 /nfs/dbraw/zinc/25/80/00/524258000.db2.gz RKYLPRALROYLGG-YDJIHCHBSA-N 0 1 454.910 4.078 50 30 JIEAMN COc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1 ZINC000009310088 524563414 /nfs/dbraw/zinc/56/34/14/524563414.db2.gz JUYTVYLPWULPLG-OAQYLSRUSA-N 0 1 484.604 4.021 50 30 JIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000015934790 524977865 /nfs/dbraw/zinc/97/78/65/524977865.db2.gz YBZSPYNGANYAPU-HJPURHCSSA-N 0 1 461.493 4.014 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009461142 525220853 /nfs/dbraw/zinc/22/08/53/525220853.db2.gz YTLCURQIZPRPKS-HXUWFJFHSA-N 0 1 454.866 4.437 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000009242838 526272066 /nfs/dbraw/zinc/27/20/66/526272066.db2.gz QXQLLXSHOACXKO-SFHVURJKSA-N 0 1 499.342 4.460 50 30 JIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(F)cc2)s1 ZINC000009363594 526354650 /nfs/dbraw/zinc/35/46/50/526354650.db2.gz FVRXOJMNQHVZHZ-WYRIXSBYSA-N 0 1 451.479 4.092 50 30 JIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102859002 535283749 /nfs/dbraw/zinc/28/37/49/535283749.db2.gz NIRFZILRJHQHKX-NXLSWJSLSA-N 0 1 493.535 4.332 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102730749 535416854 /nfs/dbraw/zinc/41/68/54/535416854.db2.gz HYVNQYXLIMKKFH-LFVOPCPISA-N 0 1 496.516 4.402 50 30 JIEAMN Cc1c(/N=C/c2cc(Cl)cc(I)c2O)c(=O)n(-c2ccccc2)n1C ZINC000000711860 553767048 /nfs/dbraw/zinc/76/70/48/553767048.db2.gz DLDIUYKNPPCEQN-UFFVCSGVSA-N 0 1 467.694 4.199 50 30 JIEAMN Cc1c(/N=C\c2cc(Br)cc(Br)c2O)c(=O)n(-c2ccccc2)n1C ZINC000000861798 553802417 /nfs/dbraw/zinc/80/24/17/553802417.db2.gz ZZHMXGZTJFPJME-FBHDLOMBSA-N 0 1 465.145 4.466 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000001152936 553917383 /nfs/dbraw/zinc/91/73/83/553917383.db2.gz SWMLKQUIDDCSBG-SFHVURJKSA-N 0 1 466.490 4.469 50 30 JIEAMN CCOC(=O)c1ccc(Cc2sc(NN=Cc3ccc(Cl)cc3Cl)nc2O)cc1 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4.222 50 30 JIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000013595796 555528871 /nfs/dbraw/zinc/52/88/71/555528871.db2.gz LNHSETNDKPFZIU-HSZRJFAPSA-N 0 1 454.542 4.309 50 30 JIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OCc3ccccc3)c2)o1 ZINC000019938530 555556882 /nfs/dbraw/zinc/55/68/82/555556882.db2.gz YMTGTTFPEPWUMC-XMMPIXPASA-N 0 1 460.530 4.307 50 30 JIEAMN Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CN2CCOCC2)cc1 ZINC000019944038 555562204 /nfs/dbraw/zinc/56/22/04/555562204.db2.gz NEDRNTRRILOYOA-MHZLTWQESA-N 0 1 459.590 4.470 50 30 JIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020024866 555602924 /nfs/dbraw/zinc/60/29/24/555602924.db2.gz PXTIZCLSRSLCPS-QFIPXVFZSA-N 0 1 499.405 4.058 50 30 JIEAMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 ZINC000010211761 555646233 /nfs/dbraw/zinc/64/62/33/555646233.db2.gz SYXDIXJVWHYOEP-LJQANCHMSA-N 0 1 491.569 4.468 50 30 JIEAMN Cc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCN(C)C)o1 ZINC000020193022 555693845 /nfs/dbraw/zinc/69/38/45/555693845.db2.gz GBYRSEMZAJOZQB-IBGZPJMESA-N 0 1 451.548 4.160 50 30 JIEAMN COc1ccc([C@@H]2C(C(=O)c3nc(-c4ccccc4)sc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020219692 555715570 /nfs/dbraw/zinc/71/55/70/555715570.db2.gz XWGAIHDVUVLFQR-JOCHJYFZSA-N 0 1 477.586 4.267 50 30 JIEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(Br)c3)oc21 ZINC000020219887 555716422 /nfs/dbraw/zinc/71/64/22/555716422.db2.gz QDASANCLHYCWRN-HXUWFJFHSA-N 0 1 499.361 4.344 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020230354 555721098 /nfs/dbraw/zinc/72/10/98/555721098.db2.gz VJFSQNAPKASPRH-XMMPIXPASA-N 0 1 496.991 4.205 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3cc(C)c(C)cc3[O-])=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020309991 555767636 /nfs/dbraw/zinc/76/76/36/555767636.db2.gz GTZJFKAKFMOKIX-XMMPIXPASA-N 0 1 464.562 4.104 50 30 JIEAMN Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC(C)C)cc2)cc1C ZINC000020310006 555767712 /nfs/dbraw/zinc/76/77/12/555767712.db2.gz AVEYTFRZZXVOAX-XMMPIXPASA-N 0 1 466.578 4.326 50 30 JIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3cc(C)c(C)cc3[O-])=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020309988 555767747 /nfs/dbraw/zinc/76/77/47/555767747.db2.gz GTZJFKAKFMOKIX-DEOSSOPVSA-N 0 1 464.562 4.104 50 30 JIEAMN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2[O-])[C@H]1c1ccc(OC)cc1 ZINC000020310317 555768457 /nfs/dbraw/zinc/76/84/57/555768457.db2.gz MRWHQZQUXMARKQ-HSZRJFAPSA-N 0 1 452.551 4.019 50 30 JIEAMN C=CCn1c(SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(Cl)cc1 ZINC000023043526 556002257 /nfs/dbraw/zinc/00/22/57/556002257.db2.gz SJFWLSADPAVLRQ-NRFANRHFSA-N 0 1 468.026 4.267 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000015934756 556072092 /nfs/dbraw/zinc/07/20/92/556072092.db2.gz SIVLMIXGEBXGEV-AVRWGWEMSA-N 0 1 487.556 4.274 50 30 JIEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000015934754 556072112 /nfs/dbraw/zinc/07/21/12/556072112.db2.gz JMJWSAHSDDBMRD-IQGLISFBSA-N 0 1 487.556 4.274 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016805757 556162113 /nfs/dbraw/zinc/16/21/13/556162113.db2.gz AZLXFUUDDQDJLI-LJQANCHMSA-N 0 1 451.479 4.333 50 30 JIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccncc1 ZINC000016944420 556182233 /nfs/dbraw/zinc/18/22/33/556182233.db2.gz JBFWBDZQXPIKCT-DEOSSOPVSA-N 0 1 458.514 4.194 50 30 JIEAMN N#Cc1cc2c(cccc2OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000095628824 569728379 /nfs/dbraw/zinc/72/83/79/569728379.db2.gz BYBYHCOEAFHGJL-VWLOTQADSA-N 0 1 466.585 4.186 50 30 investigational JIEAMN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000036316077 569762098 /nfs/dbraw/zinc/76/20/98/569762098.db2.gz XDWPMIASCHSVMY-AZGAKELHSA-N 0 1 489.616 4.180 50 30 JIEAMN C=CCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340251 569763679 /nfs/dbraw/zinc/76/36/79/569763679.db2.gz KKGRTPWUFLVJKQ-VWLOTQADSA-N 0 1 487.604 4.400 50 30 JIEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346308 569769543 /nfs/dbraw/zinc/76/95/43/569769543.db2.gz LUVMFVYMNAOPGU-HSZRJFAPSA-N 0 1 451.542 4.333 50 30 JIEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346643 569770406 /nfs/dbraw/zinc/77/04/06/569770406.db2.gz DWTMKQKNCYJWRN-QHCPKHFHSA-N 0 1 469.532 4.472 50 30 JIEAMN O=C(Nc1ccc([N+](=O)[O-])cc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100812055 569770556 /nfs/dbraw/zinc/77/05/56/569770556.db2.gz ZTKNBVSDBLGSFE-UHFFFAOYSA-N 0 1 450.160 4.342 50 30 JIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Br)c1 ZINC000101101177 569782865 /nfs/dbraw/zinc/78/28/65/569782865.db2.gz AKYDMAGRBMINGI-YDJIHCHBSA-N 0 1 466.335 4.158 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101294303 569790139 /nfs/dbraw/zinc/79/01/39/569790139.db2.gz TWIZTOUVGOAWQD-NKHPTUSLSA-N 0 1 499.567 4.283 50 30 JIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)ccc1OCC(C)C ZINC000102175665 569810825 /nfs/dbraw/zinc/81/08/25/569810825.db2.gz KHWGGPCZSXAOEM-SBXHHDGASA-N 0 1 457.530 4.442 50 30 JIEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCOC)c1 ZINC000102861170 569824957 /nfs/dbraw/zinc/82/49/57/569824957.db2.gz NNUOVDOYJUQADF-IYGWJSLMSA-N 0 1 465.546 4.257 50 30 JIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1Cl ZINC000102874052 569826213 /nfs/dbraw/zinc/82/62/13/569826213.db2.gz GQHKTYIKPUPYIV-JBCNATCCSA-N 0 1 451.910 4.057 50 30 JIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102927673 569826857 /nfs/dbraw/zinc/82/68/57/569826857.db2.gz HBTSTRZJRBQBLX-SBXHHDGASA-N 0 1 483.561 4.259 50 30 JIEAMN 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O=C(c1ccccc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008835122 554733304 /nfs/dbraw/zinc/73/33/04/554733304.db2.gz XPMNSBYANZKYQL-OAQYLSRUSA-N 0 1 475.372 4.294 50 30 JIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000008845228 554741702 /nfs/dbraw/zinc/74/17/02/554741702.db2.gz VOTMWUKFSRZASU-SFHVURJKSA-N 0 1 454.891 4.351 50 30 JIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000008859300 554755817 /nfs/dbraw/zinc/75/58/17/554755817.db2.gz PBBULEISKCBVDF-XMMPIXPASA-N 0 1 493.535 4.488 50 30 JIEAMN Cc1ccc(C)c(Nc2nc(=NN=Cc3ccc(Cl)c([N+](=O)[O-])c3)nc(N3CCOCC3)[nH]2)c1 ZINC000008872764 554769570 /nfs/dbraw/zinc/76/95/70/554769570.db2.gz MVIDVMHITOUPCE-ZMOGYAJESA-N 0 1 482.932 4.076 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008896060 554785623 /nfs/dbraw/zinc/78/56/23/554785623.db2.gz MZIMHMJZZAGSLF-NRFANRHFSA-N 0 1 463.446 4.463 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008915031 554808142 /nfs/dbraw/zinc/80/81/42/554808142.db2.gz HLQSONQCXUCGCL-LJQANCHMSA-N 0 1 469.837 4.336 50 30 JIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008921610 554818587 /nfs/dbraw/zinc/81/85/87/554818587.db2.gz BAXHHZLVMXAEMZ-HOGKFDNTSA-N 0 1 456.970 4.455 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008996531 554857327 /nfs/dbraw/zinc/85/73/27/554857327.db2.gz CMFHSCHTMKWXMK-VWLOTQADSA-N 0 1 486.524 4.442 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000009008138 554862457 /nfs/dbraw/zinc/86/24/57/554862457.db2.gz NAJBBQDLHNZIOG-MRJHHRETSA-N 0 1 487.394 4.221 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009008138 554862460 /nfs/dbraw/zinc/86/24/60/554862460.db2.gz NAJBBQDLHNZIOG-MRJHHRETSA-N 0 1 487.394 4.221 50 30 JIEAMN COc1ccc(NC2=C[C@](C)(O)[C@H](C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2C(C)=O)cc1 ZINC000013140490 555337452 /nfs/dbraw/zinc/33/74/52/555337452.db2.gz LNGCPQVDISZYLW-NXCFDTQHSA-N 0 1 453.535 4.111 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccs2)nc1C ZINC000013569153 555507493 /nfs/dbraw/zinc/50/74/93/555507493.db2.gz SVFAUXWLKUGPDR-QGZVFWFLSA-N 0 1 484.555 4.481 50 30 JIEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000013569225 555507565 /nfs/dbraw/zinc/50/75/65/555507565.db2.gz RQRLGQTWOFEPAW-SANMLTNESA-N 0 1 486.568 4.420 50 30 JIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000013570880 555509233 /nfs/dbraw/zinc/50/92/33/555509233.db2.gz SWQNWJBNKDEYOB-KRWDZBQOSA-N 0 1 470.453 4.299 50 30 JIEAMN COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C(C)C)s2)c1OC ZINC000013689276 555582563 /nfs/dbraw/zinc/58/25/63/555582563.db2.gz XDXIIWMKRDLKDT-INIZCTEOSA-N 0 1 455.492 4.055 50 30 JIEAMN COc1ccc(CCNC(=O)C(C#N)c2nc3ccccc3nc2N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013785568 555618525 /nfs/dbraw/zinc/61/85/25/555618525.db2.gz VGALIEDLPRKHCW-XQBPLPMBSA-N 0 1 457.578 4.087 50 30 JIEAMN CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc([N+](=O)[O-])c1O ZINC000020154646 555674498 /nfs/dbraw/zinc/67/44/98/555674498.db2.gz ASWADGFAXYRXSJ-DOMZBBRYSA-N 0 1 456.882 4.357 50 30 JIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000020192705 555693716 /nfs/dbraw/zinc/69/37/16/555693716.db2.gz PYGCDXKNQISZKV-DEOSSOPVSA-N 0 1 466.578 4.404 50 30 JIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000020192705 555693717 /nfs/dbraw/zinc/69/37/17/555693717.db2.gz PYGCDXKNQISZKV-DEOSSOPVSA-N 0 1 466.578 4.404 50 30 JIEAMN CCCOc1cccc([C@H]2C(C(=O)c3cc(C)c(C)cc3[O-])=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020310049 555768069 /nfs/dbraw/zinc/76/80/69/555768069.db2.gz VGFWRBSBPLUIQI-DEOSSOPVSA-N 0 1 466.578 4.328 50 30 JIEAMN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2[O-])[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020310729 555769457 /nfs/dbraw/zinc/76/94/57/555769457.db2.gz ORLHYBLQUHQOPN-DEOSSOPVSA-N 0 1 482.577 4.028 50 30 JIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000024117179 556122254 /nfs/dbraw/zinc/12/22/54/556122254.db2.gz SSOBUASPABQQNW-RUZDIDTESA-N 0 1 478.589 4.489 50 30 JIEAMN O=S(=O)(N=C1CCCCCN1)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013040787 556244815 /nfs/dbraw/zinc/24/48/15/556244815.db2.gz ITWNOMUQVZIRML-UHFFFAOYSA-N 0 1 476.407 4.045 50 30 JIEAMN Cc1ccccc1NN=Cc1cc(I)cc(I)c1O ZINC000027473970 556279814 /nfs/dbraw/zinc/27/98/14/556279814.db2.gz AECSSDBOYPUITL-CAOOACKPSA-N 0 1 478.071 4.356 50 30 JIEAMN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000013123302 556339441 /nfs/dbraw/zinc/33/94/41/556339441.db2.gz HDWLOUQIUSCUEJ-FATZIPQQSA-N 0 1 461.470 4.096 50 30 JIEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008384198 569589322 /nfs/dbraw/zinc/58/93/22/569589322.db2.gz OBPBXWKAURTSCQ-SANMLTNESA-N 0 1 492.616 4.475 50 30 JIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008462621 569591854 /nfs/dbraw/zinc/59/18/54/569591854.db2.gz SURFAFDRTIOVJV-NXLSWJSLSA-N 0 1 466.553 4.093 50 30 JIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000096101699 569732705 /nfs/dbraw/zinc/73/27/05/569732705.db2.gz OIXMYSDKZXCUEK-OAQYLSRUSA-N 0 1 496.361 4.323 50 30 JIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000100496635 569762478 /nfs/dbraw/zinc/76/24/78/569762478.db2.gz WIFAQXPXHYQJTJ-MRJHHRETSA-N 0 1 451.862 4.326 50 30 JIEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342128 569765504 /nfs/dbraw/zinc/76/55/04/569765504.db2.gz DRUQTBZIWMESKX-DEOSSOPVSA-N 0 1 463.553 4.335 50 30 JIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101100189 569782726 /nfs/dbraw/zinc/78/27/26/569782726.db2.gz GMHPKQGUFZFABX-JBCNATCCSA-N 0 1 480.362 4.466 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000101287181 569789269 /nfs/dbraw/zinc/78/92/69/569789269.db2.gz PDPJZAMFUIYYTQ-IUKMQXEJSA-N 0 1 486.524 4.373 50 30 JIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101287502 569789566 /nfs/dbraw/zinc/78/95/66/569789566.db2.gz REWXRPDEUQBPMU-WOOAAIBNSA-N 0 1 463.471 4.242 50 30 JIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101287863 569789647 /nfs/dbraw/zinc/78/96/47/569789647.db2.gz QFSJFHRPFACTFJ-ZHHPLPSFSA-N 0 1 471.469 4.177 50 30 JIEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102374173 569812606 /nfs/dbraw/zinc/81/26/06/569812606.db2.gz NZVRFQGSWXUTKL-NXLSWJSLSA-N 0 1 499.007 4.271 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102929506 569827891 /nfs/dbraw/zinc/82/78/91/569827891.db2.gz NRGNKHQMSUSWNM-NPJIAGGLSA-N 0 1 480.605 4.412 50 30 JIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102929506 569827892 /nfs/dbraw/zinc/82/78/92/569827892.db2.gz NRGNKHQMSUSWNM-NPJIAGGLSA-N 0 1 480.605 4.412 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)nc1C ZINC000102931093 569828245 /nfs/dbraw/zinc/82/82/45/569828245.db2.gz KTROLRMJGKJHCL-GHNGSUTGSA-N 0 1 466.490 4.394 50 30 JIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000103930221 569839448 /nfs/dbraw/zinc/83/94/48/569839448.db2.gz DFIPFABVNHNODP-HVESIFNPSA-N 0 1 452.488 4.156 50 30 JIEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000105002579 569848974 /nfs/dbraw/zinc/84/89/74/569848974.db2.gz ZLSSPCGUIVBIJM-NOZRDPDXSA-N 0 1 477.605 4.424 50 30 JIEAMN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2-c2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])/C3=N\O)c1 ZINC000198698720 569873841 /nfs/dbraw/zinc/87/38/41/569873841.db2.gz CSMGFFCTFVABTM-ATJXCDBQSA-N 0 1 463.362 4.179 50 30 JIEAMN